#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hox n GLU 21 N 0.00 0.00 -0.42 0.11 0.28 -1.26 -0.39 120.64 118.96 3hox n GLU 21 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3hox n GLU 21 Cb 0.00 -1.31 0.00 0.00 1.43 0.00 0.00 31.44 31.56 3hox n GLU 21 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 3hox n SER 22 N 1.10 0.00 -3.68 -1.84 7.64 -1.26 -3.99 113.62 111.59 3hox n SER 22 Ca 0.00 -0.99 -0.29 0.00 1.01 0.00 0.00 58.87 58.60 3hox n SER 22 Cb 0.00 0.00 0.23 0.00 -1.01 0.00 0.00 64.21 63.43 3hox n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hox n ALA 23 N 0.00 -2.65 -1.00 -0.43 0.00 0.47 -4.83 120.51 112.07 3hox n ALA 23 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 53.44 51.78 3hox n ALA 23 Cb 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.84 3hox n ALA 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hox n PRO 24 N -4.41 2.47 -3.65 0.00 -0.04 -1.26 -2.89 135.00 125.22 3hox n PRO 24 Ca 0.16 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.60 3hox n PRO 24 Cb 0.58 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.00 3hox n PRO 24 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3hox s ILE 25 N 0.00 -0.92 0.30 0.52 1.01 -1.26 -1.59 121.20 119.25 3hox s ILE 25 Ca 0.00 0.01 0.07 0.00 0.00 0.00 0.00 60.65 60.73 3hox s ILE 25 Cb 0.00 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.45 3hox s ILE 25 CO 0.00 0.00 0.26 0.42 0.00 0.00 0.00 174.94 175.62 3hox s THR 26 N 2.81 3.91 0.00 2.92 -4.23 -1.26 -4.05 115.64 115.74 3hox s THR 26 Ca -0.06 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 3hox s THR 26 Cb -0.12 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.45 3hox s THR 26 CO -0.19 -0.25 0.00 0.00 -0.54 0.00 0.00 174.62 173.65 3hox n ALA 27 N -1.30 0.00 -0.35 3.99 0.00 -1.26 -0.16 120.51 121.44 3hox n ALA 27 Ca -0.04 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.69 3hox n ALA 27 Cb 0.59 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.53 3hox n ALA 27 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3hox n GLU 28 N -0.08 -0.03 -0.33 0.00 4.07 -1.26 0.77 120.64 123.78 3hox n GLU 28 Ca 0.00 0.91 0.08 0.00 -0.06 0.00 0.00 57.16 58.09 3hox n GLU 28 Cb 0.00 -1.80 0.24 0.00 -0.06 0.00 0.00 31.44 29.82 3hox n GLU 28 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 3hox h ASP 29 N 0.00 0.75 -0.90 4.31 3.32 -0.94 -2.60 116.42 120.36 3hox h ASP 29 Ca 0.64 0.07 0.14 0.00 0.02 0.00 0.00 57.03 57.90 3hox h ASP 29 Cb 2.08 -0.07 -0.14 0.00 0.22 0.00 0.00 39.33 41.41 3hox h ASP 29 CO -0.34 0.36 -0.36 -1.20 -1.72 0.00 0.00 179.24 175.98 3hox n SER 30 N -4.74 -0.61 -0.16 6.45 7.64 0.23 -1.48 113.62 120.95 3hox n SER 30 Ca 0.18 1.58 -0.13 0.00 1.01 0.00 0.00 58.87 61.52 3hox n SER 30 Cb 0.41 -0.35 -0.09 0.00 -1.01 0.00 0.00 64.21 63.17 3hox n SER 30 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 3hox h TRP 31 N 0.00 -1.62 -0.99 1.43 -0.00 -1.66 0.40 115.95 113.52 3hox h TRP 31 Ca 0.30 0.08 0.35 0.00 -0.00 0.00 0.00 58.89 59.63 3hox h TRP 31 Cb 0.53 0.77 -0.18 0.00 -0.00 0.00 0.00 29.16 30.28 3hox h TRP 31 CO -0.80 -0.47 0.33 0.00 -0.00 0.00 0.00 178.44 177.50 3hox h ALA 32 N 0.13 1.74 0.54 1.49 0.00 -1.41 0.77 119.26 122.52 3hox h ALA 32 Ca 0.10 0.29 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 3hox h ALA 32 Cb 0.58 0.43 0.01 0.00 0.00 0.00 0.00 17.79 18.80 3hox h ALA 32 CO -0.63 -0.77 -0.26 0.28 0.00 0.00 0.00 179.25 177.87 3hox h VAL 33 N 0.03 0.40 -0.75 0.00 2.07 -0.94 -1.85 116.25 115.20 3hox h VAL 33 Ca 0.74 -0.26 0.16 0.00 0.82 0.00 0.00 66.70 68.15 3hox h VAL 33 Cb 1.78 0.50 -0.11 0.00 -1.52 0.00 0.00 31.29 31.95 3hox h VAL 33 CO -0.82 0.04 0.22 0.40 0.02 0.00 0.00 177.57 177.43 3hox h ILE 34 N -0.91 0.54 -0.07 4.57 2.04 0.70 0.21 117.51 124.59 3hox h ILE 34 Ca -0.07 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.72 3hox h ILE 34 Cb 0.62 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 3hox h ILE 34 CO 0.12 0.06 -0.28 0.28 0.00 0.00 0.00 178.15 178.33 3hox h SER 35 N 0.31 -0.86 -0.84 1.72 0.02 0.48 0.23 113.55 114.61 3hox h SER 35 Ca 0.43 0.12 0.16 0.00 -0.84 0.00 0.00 61.79 61.66 3hox h SER 35 Cb 0.72 0.36 -0.06 0.00 0.14 0.00 0.00 62.40 63.56 3hox h SER 35 CO -0.49 -0.34 0.55 0.00 -1.14 0.00 0.00 176.83 175.42 3hox h ALA 36 N 0.46 2.04 0.04 3.77 0.00 0.17 0.37 119.26 126.10 3hox h ALA 36 Ca 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hox h ALA 36 Cb 0.51 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3hox h ALA 36 CO -0.29 -0.28 -0.03 0.35 0.00 0.00 0.00 179.25 179.00 3hox h PHE 37 N 0.51 -0.07 -0.03 0.00 3.57 0.96 -2.65 116.94 119.22 3hox h PHE 37 Ca 0.43 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.93 3hox h PHE 37 Cb 0.90 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.66 3hox h PHE 37 CO -0.00 -0.04 0.03 0.74 -2.23 0.00 0.00 178.31 176.81 3hox h PHE 38 N -0.06 0.00 0.13 0.41 0.05 -1.22 0.79 116.94 117.05 3hox h PHE 38 Ca -0.00 0.00 0.02 0.00 3.82 0.00 0.00 57.97 61.80 3hox h PHE 38 Cb 0.05 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 37.95 3hox h PHE 38 CO 0.03 0.00 -0.46 0.00 -0.18 0.00 0.00 178.31 177.70 3hox h ARG 39 N 0.00 -0.68 0.03 1.51 3.08 -0.63 -2.46 114.38 115.23 3hox h ARG 39 Ca 0.01 0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 3hox h ARG 39 Cb 0.08 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3hox h ARG 39 CO -0.00 -0.45 -0.02 1.49 -1.07 0.00 0.00 179.97 179.92 3hox h GLU 40 N -0.70 -0.04 0.05 0.04 4.81 -0.94 -3.41 114.58 114.38 3hox h GLU 40 Ca 0.01 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3hox h GLU 40 Cb 0.72 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 3hox h GLU 40 CO -0.25 -0.03 -0.23 0.87 -0.73 0.00 0.00 179.01 178.63 3hox h LYS 41 N -0.13 -0.32 -0.03 1.92 1.79 -0.98 -3.50 116.57 115.32 3hox h LYS 41 Ca -0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3hox h LYS 41 Cb 0.03 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 3hox h LYS 41 CO 0.01 -0.21 0.00 0.41 -1.08 0.00 0.00 179.45 178.58 3hox n GLY 42 N -1.21 -1.66 0.40 3.86 0.00 -0.93 -4.17 105.19 101.48 3hox n GLY 42 Ca -0.04 -1.10 0.31 0.00 0.00 0.00 0.00 46.02 45.20 3hox n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hox n LEU 43 N -0.32 0.05 -1.11 0.99 4.77 -1.26 0.93 117.00 121.04 3hox n LEU 43 Ca 0.00 0.74 0.08 0.00 -0.03 0.00 0.00 56.01 56.80 3hox n LEU 43 Cb 0.00 -0.37 0.29 0.00 -2.33 0.00 0.00 43.42 41.01 3hox n LEU 43 CO 0.00 -0.77 0.74 1.33 -1.33 0.00 0.00 177.39 177.36 3hox n VAL 44 N -3.51 2.26 0.00 4.08 0.24 -1.26 -4.84 118.33 115.29 3hox n VAL 44 Ca 0.28 -1.67 0.00 0.00 -2.04 0.00 0.00 64.34 60.90 3hox n VAL 44 Cb 1.20 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.39 3hox n VAL 44 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3hox n SER 45 N -0.10 0.00 -0.16 -1.34 3.41 0.26 -1.95 113.62 113.74 3hox n SER 45 Ca 0.22 0.20 -0.01 0.00 -0.26 0.00 0.00 58.87 59.01 3hox n SER 45 Cb 0.92 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.87 3hox n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hox n GLN 46 N -0.59 -0.11 -0.34 4.33 -0.00 -1.26 0.50 117.38 119.91 3hox n GLN 46 Ca 0.00 0.64 0.11 0.00 -0.00 0.00 0.00 57.00 57.76 3hox n GLN 46 Cb 0.00 -0.95 0.29 0.00 -0.00 0.00 0.00 30.24 29.58 3hox n GLN 46 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 3hox h GLN 47 N 0.00 0.70 0.00 2.61 1.08 -1.74 -2.30 115.11 115.45 3hox h GLN 47 Ca 0.13 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 3hox h GLN 47 Cb 0.24 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 3hox h GLN 47 CO -0.41 0.46 0.00 1.28 -0.95 0.00 0.00 178.83 179.21 3hox n LEU 48 N -4.80 1.18 -0.20 1.46 4.77 0.18 -3.46 117.00 116.13 3hox n LEU 48 Ca 0.22 0.36 0.04 0.00 -0.03 0.00 0.00 56.01 56.60 3hox n LEU 48 Cb 0.54 -0.12 0.09 0.00 -2.33 0.00 0.00 43.42 41.59 3hox n LEU 48 CO 0.21 -0.12 0.37 0.47 -1.33 0.00 0.00 177.39 176.99 3hox n ASP 49 N -0.86 -0.18 0.22 -1.43 8.00 -1.08 0.39 116.55 121.61 3hox n ASP 49 Ca 0.00 0.94 0.17 0.00 0.71 0.00 0.00 54.79 56.61 3hox n ASP 49 Cb 0.00 -0.29 0.85 0.00 -0.02 0.00 0.00 41.12 41.65 3hox n ASP 49 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 3hox h SER 50 N 0.00 0.00 0.00 -2.24 0.87 -1.55 -1.95 113.55 108.69 3hox h SER 50 Ca 0.27 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.81 3hox h SER 50 Cb 0.43 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 3hox h SER 50 CO -0.56 0.00 -0.13 0.15 -0.53 0.00 0.00 176.83 175.76 3hox h PHE 51 N 0.00 0.00 0.44 2.24 3.57 0.75 -3.12 116.94 120.82 3hox h PHE 51 Ca 0.07 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 3hox h PHE 51 Cb 0.40 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 3hox h PHE 51 CO 0.00 0.97 -0.48 -0.91 -2.23 0.00 0.00 178.31 175.66 3hox h ASN 52 N -1.00 -1.33 -1.38 0.41 2.35 -1.28 0.21 115.58 113.56 3hox h ASN 52 Ca -0.03 0.11 0.44 0.00 -0.55 0.00 0.00 56.30 56.27 3hox h ASN 52 Cb 0.95 0.45 -0.12 0.00 0.05 0.00 0.00 38.32 39.65 3hox h ASN 52 CO -0.02 -0.62 0.90 -0.61 -1.65 0.00 0.00 177.43 175.43 3hox h GLN 53 N -0.93 0.08 0.13 0.81 5.75 -1.52 2.31 115.11 121.74 3hox h GLN 53 Ca -0.05 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 3hox h GLN 53 Cb 0.81 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.35 3hox h GLN 53 CO -0.08 0.05 -0.06 0.35 -2.65 0.00 0.00 178.83 176.44 3hox h PHE 54 N 0.08 -0.16 0.61 3.99 3.57 -0.91 -2.62 116.94 121.49 3hox h PHE 54 Ca 0.82 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 62.29 3hox h PHE 54 Cb 2.66 0.05 0.01 0.00 2.79 0.00 0.00 35.95 41.46 3hox h PHE 54 CO -0.00 0.31 -0.29 0.28 -2.23 0.00 0.00 178.31 176.37 3hox h VAL 55 N -0.76 0.03 -0.45 1.41 2.07 0.31 0.57 116.25 119.42 3hox h VAL 55 Ca -0.02 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.14 3hox h VAL 55 Cb 0.54 0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 3hox h VAL 55 CO 0.03 0.01 -0.29 0.44 0.02 0.00 0.00 177.57 177.77 3hox h ASP 56 N -1.21 -1.07 0.00 0.57 3.32 0.34 -3.36 116.42 115.01 3hox h ASP 56 Ca -0.08 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3hox h ASP 56 Cb 0.63 0.47 0.00 0.00 0.22 0.00 0.00 39.33 40.65 3hox h ASP 56 CO 0.14 -0.13 0.00 -1.22 -1.72 0.00 0.00 179.24 176.31 3hox n TYR 57 N -4.12 0.00 0.00 4.55 4.02 -1.05 -4.72 117.16 115.85 3hox n TYR 57 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3hox n TYR 57 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 3hox n TYR 57 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3hox n THR 58 N -0.49 0.00 -0.23 -0.72 -1.04 -1.01 0.14 114.28 110.93 3hox n THR 58 Ca 0.00 0.00 0.23 0.00 -2.04 0.00 0.00 64.05 62.24 3hox n THR 58 Cb 0.00 0.00 0.59 0.00 -1.82 0.00 0.00 70.33 69.10 3hox n THR 58 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3hox h LEU 59 N 0.00 0.26 0.35 -4.42 5.85 -0.00 -0.36 115.31 116.98 3hox h LEU 59 Ca 0.00 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3hox h LEU 59 Cb 0.00 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.02 3hox h LEU 59 CO 0.00 0.09 -0.17 -0.61 -0.34 0.00 0.00 178.44 177.41 3hox h GLN 60 N 0.25 -0.45 -0.99 1.25 5.75 0.11 -2.94 115.11 118.08 3hox h GLN 60 Ca 0.47 0.03 0.23 0.00 -0.15 0.00 0.00 58.65 59.23 3hox h GLN 60 Cb 1.43 0.10 -0.09 0.00 1.07 0.00 0.00 27.48 30.00 3hox h GLN 60 CO -0.13 -0.27 0.63 -0.44 -2.65 0.00 0.00 178.83 175.98 3hox h ASP 61 N -1.11 0.53 -0.26 -0.69 5.19 -1.48 0.11 116.42 118.72 3hox h ASP 61 Ca -0.05 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 3hox h ASP 61 Cb 0.39 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 3hox h ASP 61 CO 0.08 0.16 0.11 0.40 -3.12 0.00 0.00 179.24 176.87 3hox h ILE 62 N 0.50 1.16 0.00 0.35 2.04 -1.15 -2.68 117.51 117.74 3hox h ILE 62 Ca 0.55 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.93 3hox h ILE 62 Cb 1.24 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 3hox h ILE 62 CO -0.29 0.16 0.00 0.00 0.00 0.00 0.00 178.15 178.03 3hox n ILE 63 N -4.79 1.23 -3.59 -0.67 0.13 0.37 -4.37 119.36 107.67 3hox n ILE 63 Ca -0.03 0.31 -0.27 0.00 -1.10 0.00 0.00 62.75 61.66 3hox n ILE 63 Cb 0.12 -1.18 -0.16 0.00 -0.84 0.00 0.00 39.64 37.57 3hox n ILE 63 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3hox n GLU 65 N 5.24 0.00 0.00 0.00 0.28 -1.26 -4.81 120.64 120.08 3hox n GLU 65 Ca -0.07 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 56.95 3hox n GLU 65 Cb 0.46 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.34 3hox n GLU 65 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3hox n ASP 66 N 0.00 1.21 0.00 -1.84 5.75 -1.26 -4.93 116.55 115.48 3hox n ASP 66 Ca 0.00 -1.10 0.00 0.00 -0.01 0.00 0.00 54.79 53.68 3hox n ASP 66 Cb 0.00 0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 3hox n ASP 66 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3hox n SER 67 N 0.08 0.00 0.00 -1.12 7.64 -1.26 -4.85 113.62 114.11 3hox n SER 67 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 3hox n SER 67 Cb 0.10 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 3hox n SER 67 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3hox n THR 68 N 0.00 0.00 -4.52 0.44 -2.24 -1.26 -5.00 114.28 101.71 3hox n THR 68 Ca 0.00 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 3hox n THR 68 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 3hox n THR 68 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hox s LEU 69 N 0.00 2.00 0.00 3.22 1.43 -1.26 -4.98 118.68 119.09 3hox s LEU 69 Ca 0.00 -1.67 -0.00 0.00 -1.03 0.00 0.00 54.13 51.43 3hox s LEU 69 Cb 0.00 -0.12 -0.02 0.00 0.03 0.00 0.00 46.19 46.08 3hox s LEU 69 CO 0.00 -0.92 1.20 -0.38 0.23 0.00 0.00 176.35 176.48 3hox n ILE 70 N -0.91 1.11 0.00 -0.59 5.41 -1.26 -4.82 119.36 118.30 3hox n ILE 70 Ca -0.06 -0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.35 3hox n ILE 70 Cb 0.65 -1.34 0.00 0.00 -0.71 0.00 0.00 39.64 38.24 3hox n ILE 70 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3hox n ILE 90 N 1.90 0.00 -3.19 1.39 5.41 -1.25 -5.21 119.36 118.42 3hox n ILE 90 Ca 0.04 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.58 3hox n ILE 90 Cb 0.29 0.00 0.04 0.00 -0.71 0.00 0.00 39.64 39.27 3hox n ILE 90 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3hox s SER 91 N 0.00 5.06 -0.15 4.38 1.04 -0.12 -4.05 113.70 119.87 3hox s SER 91 Ca 0.00 -0.88 -0.04 0.00 0.48 0.00 0.00 55.95 55.51 3hox s SER 91 Cb 0.00 0.23 0.05 0.00 0.10 0.00 0.00 66.02 66.40 3hox s SER 91 CO 0.00 -1.24 0.06 -0.36 0.98 0.00 0.00 173.24 172.68 3hox s PHE 92 N -2.66 0.44 0.00 5.02 0.40 -1.26 -1.76 117.98 118.16 3hox s PHE 92 Ca 0.56 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 56.54 3hox s PHE 92 Cb -0.05 -0.76 0.00 0.00 0.51 0.00 0.00 43.02 42.72 3hox s PHE 92 CO 0.35 -0.47 0.00 0.41 0.70 0.00 0.00 175.22 176.21 3hox n GLY 93 N 5.21 0.88 3.23 4.36 0.00 -0.64 -4.79 105.19 113.44 3hox n GLY 93 Ca -0.07 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 43.89 3hox n GLY 93 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hox n LYS 94 N 0.00 0.03 -4.84 1.61 4.81 -1.26 -4.26 118.16 114.25 3hox n LYS 94 Ca 0.00 0.03 -0.29 0.00 -0.87 0.00 0.00 58.31 57.17 3hox n LYS 94 Cb 0.00 -1.31 -0.15 0.00 0.02 0.00 0.00 35.03 33.59 3hox n LYS 94 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 3hox s ILE 95 N -2.03 2.07 -0.15 3.15 2.07 -1.26 -2.06 121.20 123.00 3hox s ILE 95 Ca 0.52 -1.38 0.02 0.00 -1.41 0.00 0.00 60.65 58.40 3hox s ILE 95 Cb -0.30 -1.78 0.01 0.00 0.13 0.00 0.00 42.46 40.52 3hox s ILE 95 CO 0.71 0.33 -0.20 -0.31 -1.91 0.00 0.00 174.94 173.55 3hox s TYR 96 N -0.82 2.70 -0.23 3.50 1.51 1.15 -4.94 117.35 120.22 3hox s TYR 96 Ca 0.11 -1.29 -0.05 0.00 -1.01 0.00 0.00 57.07 54.83 3hox s TYR 96 Cb -0.10 -1.84 -0.01 0.00 -0.11 0.00 0.00 41.96 39.90 3hox s TYR 96 CO 0.02 -0.59 -0.01 0.08 -1.11 0.00 0.00 175.55 173.94 3hox s VAL 97 N 0.85 3.63 0.22 0.71 1.01 -1.26 -0.28 120.40 125.27 3hox s VAL 97 Ca -0.06 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 3hox s VAL 97 Cb -0.15 -2.67 -0.07 0.00 0.00 0.00 0.00 36.38 33.48 3hox s VAL 97 CO -0.02 0.39 0.55 0.42 0.00 0.00 0.00 175.10 176.44 3hox s THR 98 N 1.51 4.91 0.55 3.92 -4.23 -0.90 -5.02 115.64 116.39 3hox s THR 98 Ca 0.06 0.55 -0.20 0.00 -1.18 0.00 0.00 61.69 60.91 3hox s THR 98 Cb -0.15 -3.64 -0.05 0.00 1.34 0.00 0.00 72.50 70.01 3hox s THR 98 CO -0.01 -0.02 1.24 -0.54 -0.54 0.00 0.00 174.62 174.75 3hox s LYS 99 N -2.66 3.19 0.68 3.99 -0.14 -1.26 -4.34 119.74 119.19 3hox s LYS 99 Ca 0.46 1.92 -0.18 0.00 -1.36 0.00 0.00 55.97 56.82 3hox s LYS 99 Cb -0.12 -2.13 -0.15 0.00 -1.68 0.00 0.00 37.83 33.76 3hox s LYS 99 CO 0.21 -1.05 -0.36 -2.30 -0.76 0.00 0.00 175.35 171.08 3hox n PRO 100 N -1.19 0.00 -3.65 -1.68 -0.02 -1.26 -4.78 135.00 122.43 3hox n PRO 100 Ca 0.11 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.58 3hox n PRO 100 Cb 0.48 -1.00 -0.01 0.00 -0.02 0.00 0.00 33.50 32.95 3hox n PRO 100 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hox s MET 101 N -1.35 0.66 -0.23 -0.52 0.23 -1.26 -3.25 119.30 113.58 3hox s MET 101 Ca 0.51 -0.35 -0.02 0.00 -1.03 0.00 0.00 55.69 54.80 3hox s MET 101 Cb -0.39 0.24 0.07 0.00 -1.53 0.00 0.00 34.83 33.22 3hox s MET 101 CO 0.72 -0.30 0.05 0.08 -2.03 0.00 0.00 175.02 173.54 3hox s VAL 102 N -2.73 0.62 -1.25 5.16 1.01 0.21 -4.54 120.40 118.88 3hox s VAL 102 Ca 0.12 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 61.10 3hox s VAL 102 Cb 0.02 -1.23 0.06 0.00 0.00 0.00 0.00 36.38 35.24 3hox s VAL 102 CO -0.02 -0.36 1.70 0.20 0.00 0.00 0.00 175.10 176.61 3hox s ASN 103 N 1.79 6.72 -0.20 3.32 -0.87 -1.26 -2.73 114.94 121.71 3hox s ASN 103 Ca 0.02 -2.25 -0.07 0.00 -1.57 0.00 0.00 52.86 48.99 3hox s ASN 103 Cb -0.17 -2.58 -0.04 0.00 -0.02 0.00 0.00 41.25 38.44 3hox s ASN 103 CO -0.14 -1.29 0.06 -1.83 -2.57 0.00 0.00 177.10 171.33 3hox s GLU 104 N 4.44 3.88 0.53 -0.60 -1.05 -1.23 -5.04 118.70 119.62 3hox s GLU 104 Ca 0.53 -0.39 -0.21 0.00 -0.15 0.00 0.00 54.97 54.76 3hox s GLU 104 Cb 0.03 -3.23 -0.07 0.00 -0.44 0.00 0.00 34.13 30.42 3hox s GLU 104 CO 0.05 0.16 0.95 -1.13 0.95 0.00 0.00 175.26 176.24 3hox n SER 105 N 3.88 0.86 0.00 0.83 3.41 -1.21 -2.70 113.62 118.70 3hox n SER 105 Ca -0.16 0.90 0.00 0.00 -0.26 0.00 0.00 58.87 59.34 3hox n SER 105 Cb 0.52 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 3hox n SER 105 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3hox n ASP 106 N -0.14 -2.06 0.00 4.04 8.00 -1.26 -4.62 116.55 120.52 3hox n ASP 106 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.61 3hox n ASP 106 Cb 0.44 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3hox n ASP 106 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hox n GLY 107 N -2.25 -0.38 0.00 0.44 0.00 -1.10 -5.15 105.19 96.75 3hox n GLY 107 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3hox n GLY 107 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hox n VAL 108 N -0.02 0.00 -3.69 1.61 0.31 -1.26 -4.61 118.33 110.67 3hox n VAL 108 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 3hox n VAL 108 Cb 0.00 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 32.76 3hox n VAL 108 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3hox s THR 109 N 0.00 0.18 -0.06 2.52 2.01 -1.26 -3.54 115.64 115.50 3hox s THR 109 Ca 0.00 -0.12 -0.23 0.00 0.31 0.00 0.00 61.69 61.65 3hox s THR 109 Cb 0.00 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 3hox s THR 109 CO 0.00 -0.07 0.70 -2.28 -0.69 0.00 0.00 174.62 172.28 3hox s HIS 110 N 2.03 3.59 -0.91 4.92 5.04 -1.11 -4.70 115.29 124.15 3hox s HIS 110 Ca 0.02 1.26 -0.25 0.00 -1.54 0.00 0.00 55.06 54.55 3hox s HIS 110 Cb -0.15 -2.79 -0.12 0.00 0.04 0.00 0.00 32.58 29.56 3hox s HIS 110 CO -0.07 0.11 2.18 0.00 -2.34 0.00 0.00 174.74 174.62 3hox s ALA 111 N 0.70 1.04 0.57 1.58 0.00 -1.26 0.65 121.76 125.04 3hox s ALA 111 Ca 0.37 -1.25 -0.19 0.00 0.00 0.00 0.00 51.96 50.89 3hox s ALA 111 Cb -0.18 -4.60 -0.07 0.00 0.00 0.00 0.00 23.12 18.27 3hox s ALA 111 CO 0.18 -5.70 0.80 -0.11 0.00 0.00 0.00 175.76 170.93 3hox n LEU 112 N 17.07 2.44 -4.26 0.00 7.94 -1.20 -4.82 117.00 134.16 3hox n LEU 112 Ca 0.44 0.80 -0.14 0.00 -1.11 0.00 0.00 56.01 56.00 3hox n LEU 112 Cb 0.45 -1.30 -0.10 0.00 0.53 0.00 0.00 43.42 43.00 3hox n LEU 112 CO 0.58 -2.29 -0.40 -0.31 -1.11 0.00 0.00 177.39 173.87 3hox s TYR 113 N -1.57 1.30 0.00 1.96 1.51 -1.26 -4.51 117.35 114.78 3hox s TYR 113 Ca 0.72 -0.79 0.00 0.00 -1.01 0.00 0.00 57.07 55.98 3hox s TYR 113 Cb -0.44 -0.68 0.00 0.00 -0.11 0.00 0.00 41.96 40.72 3hox s TYR 113 CO 0.51 0.05 0.61 -0.35 -1.11 0.00 0.00 175.55 175.26 3hox n PRO 114 N -0.23 0.00 -0.20 -1.71 -0.04 -1.26 -1.85 135.00 129.72 3hox n PRO 114 Ca -0.09 0.31 0.11 0.00 -0.04 0.00 0.00 63.50 63.79 3hox n PRO 114 Cb 0.61 -1.11 0.21 0.00 -0.04 0.00 0.00 33.50 33.17 3hox n PRO 114 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3hox n GLN 115 N -1.09 -0.04 -0.05 0.54 -0.06 -1.26 0.35 117.38 115.77 3hox n GLN 115 Ca 0.00 0.85 -0.15 0.00 -2.00 0.00 0.00 57.00 55.70 3hox n GLN 115 Cb 0.00 -1.39 -0.07 0.00 -4.06 0.00 0.00 30.24 24.73 3hox n GLN 115 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 3hox h GLU 116 N 0.00 0.65 -0.56 3.69 4.81 -1.87 -2.88 114.58 118.42 3hox h GLU 116 Ca 0.38 -0.45 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 3hox h GLU 116 Cb 0.86 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 3hox h GLU 116 CO -0.52 1.07 0.24 0.00 -0.73 0.00 0.00 179.01 179.08 3hox h ALA 117 N 0.58 1.37 -0.21 2.92 0.00 0.66 0.63 119.26 125.21 3hox h ALA 117 Ca -0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3hox h ALA 117 Cb 1.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3hox h ALA 117 CO 0.10 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.84 3hox h ARG 118 N 0.80 0.38 0.20 0.00 3.08 -1.34 0.88 114.38 118.38 3hox h ARG 118 Ca 0.19 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3hox h ARG 118 Cb 0.13 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3hox h ARG 118 CO -0.02 0.57 -0.10 -0.07 -1.07 0.00 0.00 179.97 179.28 3hox h LEU 119 N 0.14 -0.23 -0.30 3.04 3.38 -1.22 -3.04 115.31 117.07 3hox h LEU 119 Ca 0.06 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3hox h LEU 119 Cb 0.40 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3hox h LEU 119 CO 0.01 0.16 0.00 0.54 0.09 0.00 0.00 178.44 179.24 3hox n ARG 120 N -5.04 0.86 -4.17 1.13 1.74 0.22 -4.87 116.66 106.53 3hox n ARG 120 Ca -0.09 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.69 3hox n ARG 120 Cb 0.25 -1.13 -0.06 0.00 -1.02 0.00 0.00 32.46 30.50 3hox n ARG 120 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3hox n ASN 121 N -0.33 -0.25 -4.97 0.55 5.03 0.49 -4.90 115.26 110.87 3hox n ASN 121 Ca 0.00 -1.13 -0.23 0.00 0.87 0.00 0.00 54.58 54.09 3hox n ASN 121 Cb 0.06 -2.33 0.03 0.00 -1.02 0.00 0.00 39.78 36.52 3hox n ASN 121 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3hox s LEU 122 N -7.19 2.92 -0.27 3.41 1.43 0.28 -3.69 118.68 115.56 3hox s LEU 122 Ca 0.15 -1.03 -0.03 0.00 -1.03 0.00 0.00 54.13 52.18 3hox s LEU 122 Cb -0.08 -1.43 0.02 0.00 0.03 0.00 0.00 46.19 44.73 3hox s LEU 122 CO 0.95 -1.22 -0.01 -0.89 0.23 0.00 0.00 176.35 175.41 3hox s THR 123 N -2.71 3.24 0.00 5.49 2.01 -1.26 -1.35 115.64 121.06 3hox s THR 123 Ca 0.49 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 61.50 3hox s THR 123 Cb -0.04 -2.68 -0.09 0.00 0.01 0.00 0.00 72.50 69.69 3hox s THR 123 CO 0.30 0.12 1.68 0.00 -0.69 0.00 0.00 174.62 176.03 3hox n TYR 124 N 4.73 0.00 -0.00 4.92 9.36 -0.78 -4.76 117.16 130.63 3hox n TYR 124 Ca -0.15 -0.63 0.00 0.00 3.32 0.00 0.00 57.90 60.43 3hox n TYR 124 Cb 0.47 -0.80 0.00 0.00 -0.63 0.00 0.00 39.34 38.38 3hox n TYR 124 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3hox n SER 125 N 2.51 0.00 0.00 2.98 3.41 -1.26 -2.42 113.62 118.83 3hox n SER 125 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 3hox n SER 125 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 3hox n SER 125 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3hox n SER 126 N 0.00 0.00 -4.78 4.04 3.41 -1.18 -4.04 113.62 111.07 3hox n SER 126 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.22 3hox n SER 126 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3hox n SER 126 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3hox s GLY 127 N 0.00 2.88 -0.25 5.00 0.00 -1.26 0.24 107.32 113.93 3hox s GLY 127 Ca 0.00 0.38 -0.02 0.00 0.00 0.00 0.00 44.72 45.08 3hox s GLY 127 CO 0.00 0.86 -0.05 1.08 0.00 0.00 0.00 173.10 174.99 3hox s LEU 128 N -1.39 3.22 -0.08 0.66 1.02 -0.86 -2.11 118.68 119.15 3hox s LEU 128 Ca 0.39 -0.84 0.03 0.00 0.02 0.00 0.00 54.13 53.73 3hox s LEU 128 Cb -0.22 -1.68 0.01 0.00 0.02 0.00 0.00 46.19 44.32 3hox s LEU 128 CO 0.26 -0.13 -0.17 -0.36 0.02 0.00 0.00 176.35 175.97 3hox s PHE 129 N 1.34 1.89 0.05 0.29 0.40 0.61 0.46 117.98 123.02 3hox s PHE 129 Ca 0.01 -0.72 0.07 0.00 -0.60 0.00 0.00 56.93 55.69 3hox s PHE 129 Cb -0.17 -1.31 -0.03 0.00 0.51 0.00 0.00 43.02 42.03 3hox s PHE 129 CO -0.04 -0.31 -0.20 0.08 0.70 0.00 0.00 175.22 175.45 3hox s VAL 130 N 0.47 1.58 -1.19 -0.44 1.01 -0.66 0.37 120.40 121.54 3hox s VAL 130 Ca -0.15 -1.19 -0.20 0.00 0.00 0.00 0.00 61.98 60.44 3hox s VAL 130 Cb -0.16 -1.38 0.04 0.00 0.00 0.00 0.00 36.38 34.87 3hox s VAL 130 CO 0.05 0.15 1.70 -1.81 0.00 0.00 0.00 175.10 175.19 3hox s ASP 131 N -1.22 6.43 0.28 3.32 1.01 -0.87 -1.25 116.67 124.36 3hox s ASP 131 Ca 0.06 -1.99 -0.29 0.00 0.71 0.00 0.00 52.55 51.04 3hox s ASP 131 Cb -0.09 -2.58 -0.10 0.00 1.01 0.00 0.00 42.92 41.17 3hox s ASP 131 CO 0.02 -1.59 1.30 -0.69 0.21 0.00 0.00 175.17 174.42 3hox s VAL 132 N 5.60 2.93 -0.13 -1.27 1.01 -1.26 -1.62 120.40 125.65 3hox s VAL 132 Ca 0.55 0.87 0.02 0.00 0.00 0.00 0.00 61.98 63.41 3hox s VAL 132 Cb 0.02 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.86 3hox s VAL 132 CO 0.03 0.18 -0.18 -0.54 0.00 0.00 0.00 175.10 174.59 3hox s LYS 133 N -1.15 2.58 0.02 2.72 1.02 -0.72 -4.95 119.74 119.25 3hox s LYS 133 Ca 0.52 -0.69 0.22 0.00 0.02 0.00 0.00 55.97 56.04 3hox s LYS 133 Cb -0.38 -2.18 -0.17 0.00 -0.52 0.00 0.00 37.83 34.59 3hox s LYS 133 CO 0.47 -0.09 0.79 0.36 -0.92 0.00 0.00 175.35 175.96 3hox n LYS 134 N 4.29 0.39 0.00 1.68 0.00 -1.26 -0.94 118.16 122.32 3hox n LYS 134 Ca -0.19 -0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.05 3hox n LYS 134 Cb 0.51 -1.56 0.00 0.00 -0.00 0.00 0.00 35.03 33.98 3hox n LYS 134 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3hox n LYS 164 N -2.03 0.00 -4.02 -1.58 4.81 -1.23 -4.59 118.16 109.53 3hox n LYS 164 Ca -0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 3hox n LYS 164 Cb 0.47 -0.04 -0.13 0.00 0.02 0.00 0.00 35.03 35.35 3hox n LYS 164 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3hox s VAL 165 N -2.92 0.25 -0.20 3.15 1.01 -0.38 -4.85 120.40 116.45 3hox s VAL 165 Ca 0.00 -0.40 -0.14 0.00 0.00 0.00 0.00 61.98 61.44 3hox s VAL 165 Cb 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 3hox s VAL 165 CO 0.00 -0.11 0.31 0.12 0.00 0.00 0.00 175.10 175.43 3hox s PHE 166 N -0.51 3.38 -0.29 5.22 5.36 -1.26 -1.65 117.98 128.23 3hox s PHE 166 Ca -0.04 0.51 -0.03 0.00 -0.96 0.00 0.00 56.93 56.42 3hox s PHE 166 Cb -0.04 -2.42 0.10 0.00 -0.34 0.00 0.00 43.02 40.32 3hox s PHE 166 CO -0.00 0.06 0.11 0.42 -1.46 0.00 0.00 175.22 174.35 3hox s ILE 167 N 1.07 0.32 0.20 3.12 1.09 0.17 -4.58 121.20 122.59 3hox s ILE 167 Ca 0.15 -0.97 0.00 0.00 -1.10 0.00 0.00 60.65 58.73 3hox s ILE 167 Cb -0.14 -1.23 0.00 0.00 -1.06 0.00 0.00 42.46 40.03 3hox s ILE 167 CO 0.06 -0.66 0.00 0.61 -0.10 0.00 0.00 174.94 174.85 3hox n GLY 168 N 5.09 -1.33 3.26 6.18 0.00 -0.14 -4.11 105.19 114.13 3hox n GLY 168 Ca -0.05 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 3hox n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hox s ARG 169 N -1.41 1.65 -0.48 1.61 0.52 -1.26 -2.03 118.95 117.57 3hox s ARG 169 Ca 0.00 -0.88 -0.10 0.00 -0.52 0.00 0.00 55.73 54.23 3hox s ARG 169 Cb 0.00 -1.69 0.12 0.00 0.52 0.00 0.00 34.95 33.90 3hox s ARG 169 CO 0.00 0.45 0.36 -1.17 0.02 0.00 0.00 175.30 174.96 3hox s LEU 170 N -0.83 5.72 0.12 2.53 2.96 0.14 -4.27 118.68 125.04 3hox s LEU 170 Ca 0.09 -1.86 -0.35 0.00 -0.22 0.00 0.00 54.13 51.79 3hox s LEU 170 Cb -0.09 -2.04 -0.14 0.00 0.50 0.00 0.00 46.19 44.42 3hox s LEU 170 CO 0.00 -0.70 1.55 -0.81 -1.32 0.00 0.00 176.35 175.07 3hox n PRO 171 N 4.95 1.91 -3.88 0.98 -0.04 -1.26 -3.09 135.00 134.57 3hox n PRO 171 Ca -0.09 0.69 -0.35 0.00 -0.04 0.00 0.00 63.50 63.71 3hox n PRO 171 Cb 0.41 -2.43 -0.11 0.00 -0.04 0.00 0.00 33.50 31.33 3hox n PRO 171 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3hox s ILE 172 N 1.12 4.77 0.30 0.52 1.01 -1.02 -4.92 121.20 122.98 3hox s ILE 172 Ca 0.82 -0.03 -0.30 0.00 0.00 0.00 0.00 60.65 61.14 3hox s ILE 172 Cb -0.75 -3.19 -0.12 0.00 0.01 0.00 0.00 42.46 38.41 3hox s ILE 172 CO 0.42 0.40 1.49 0.80 0.00 0.00 0.00 174.94 178.04 3hox n MET 173 N 4.09 2.45 -1.61 2.79 0.00 -1.26 -4.72 117.12 118.86 3hox n MET 173 Ca -0.16 0.87 -0.32 0.00 -0.00 0.00 0.00 57.70 58.09 3hox n MET 173 Cb 0.52 -2.58 0.05 0.00 0.00 0.00 0.00 33.22 31.21 3hox n MET 173 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3hox s LEU 174 N -0.66 3.21 -0.25 -0.89 1.02 0.82 -3.28 118.68 118.67 3hox s LEU 174 Ca 0.62 1.76 0.00 0.00 0.02 0.00 0.00 54.13 56.53 3hox s LEU 174 Cb -0.54 -4.52 0.00 0.00 0.02 0.00 0.00 46.19 41.15 3hox s LEU 174 CO 0.53 -1.56 0.00 -1.14 0.02 0.00 0.00 176.35 174.20 3hox n ARG 175 N -2.92 -1.80 -0.04 1.70 3.00 -1.26 -2.27 116.66 113.07 3hox n ARG 175 Ca 0.08 0.55 0.00 0.00 -0.00 0.00 0.00 57.85 58.48 3hox n ARG 175 Cb 0.53 -4.93 0.00 0.00 0.00 0.00 0.00 32.46 28.06 3hox n ARG 175 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3hox n SER 176 N -0.95 0.00 0.32 6.15 3.41 -1.20 -4.70 113.62 116.64 3hox n SER 176 Ca -0.02 -0.75 -0.13 0.00 -0.26 0.00 0.00 58.87 57.71 3hox n SER 176 Cb 0.49 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.37 3hox n SER 176 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3hox h LYS 177 N 0.00 -0.83 -1.31 4.33 1.57 -1.93 -3.23 116.57 115.18 3hox h LYS 177 Ca 0.00 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3hox h LYS 177 Cb 0.00 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3hox h LYS 177 CO 0.00 -0.55 0.00 -1.71 -0.57 0.00 0.00 179.45 176.62 3hox n ASN 178 N -5.19 1.69 -4.11 0.86 5.15 -1.26 -4.71 115.26 107.68 3hox n ASN 178 Ca -0.11 -1.21 -0.31 0.00 -0.60 0.00 0.00 54.58 52.35 3hox n ASN 178 Cb 0.34 -0.30 -0.16 0.00 -0.53 0.00 0.00 39.78 39.12 3hox n ASN 178 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hox h TYR 180 N 7.62 -0.87 -0.57 0.00 -1.99 -1.89 0.51 116.97 119.77 3hox h TYR 180 Ca -0.36 0.10 0.16 0.00 2.00 0.00 0.00 58.73 60.63 3hox h TYR 180 Cb 1.17 0.53 -0.02 0.00 2.00 0.00 0.00 36.73 40.40 3hox h TYR 180 CO 0.47 -0.41 0.59 -0.07 -0.00 0.00 0.00 178.16 178.74 3hox h LEU 181 N -0.01 0.00 -0.28 3.88 3.38 -1.95 -3.07 115.31 117.27 3hox h LEU 181 Ca 0.38 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.39 3hox h LEU 181 Cb 0.64 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 3hox h LEU 181 CO -0.98 0.00 -0.34 0.77 0.09 0.00 0.00 178.44 177.98 3hox h SER 182 N 0.00 -1.15 1.49 -0.43 4.64 -0.18 -2.87 113.55 115.06 3hox h SER 182 Ca 0.27 0.15 -0.09 0.00 -0.47 0.00 0.00 61.79 61.65 3hox h SER 182 Cb 1.44 0.47 -0.01 0.00 -0.31 0.00 0.00 62.40 63.99 3hox h SER 182 CO -0.00 -0.24 -0.52 -0.33 -0.87 0.00 0.00 176.83 174.88 3hox h GLU 183 N -0.22 0.00 -6.65 4.77 5.08 -1.72 -3.47 114.58 112.36 3hox h GLU 183 Ca 0.05 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.85 3hox h GLU 183 Cb 0.35 0.00 0.20 0.00 0.50 0.00 0.00 28.75 29.80 3hox h GLU 183 CO -0.38 0.38 -0.50 0.00 -1.00 0.00 0.00 179.01 177.51 3hox n ALA 184 N -2.22 -1.91 -4.67 3.43 0.00 -1.09 -5.03 120.51 109.02 3hox n ALA 184 Ca 0.01 -0.34 -0.29 0.00 0.00 0.00 0.00 53.44 52.83 3hox n ALA 184 Cb 0.70 -1.81 -0.06 0.00 0.00 0.00 0.00 19.45 18.28 3hox n ALA 184 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3hox n THR 185 N -2.65 0.00 0.00 0.00 -2.24 -1.26 -4.91 114.28 103.22 3hox n THR 185 Ca 0.09 -2.14 0.00 0.00 -2.27 0.00 0.00 64.05 59.73 3hox n THR 185 Cb 0.51 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 3hox n THR 185 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3hox n GLU 186 N -1.13 0.00 -0.34 -0.78 4.07 -1.26 -0.19 120.64 121.01 3hox n GLU 186 Ca -0.19 0.17 0.20 0.00 -0.06 0.00 0.00 57.16 57.28 3hox n GLU 186 Cb 0.57 -0.37 0.42 0.00 -0.06 0.00 0.00 31.44 32.01 3hox n GLU 186 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 3hox h SER 187 N 0.00 0.61 -0.11 4.31 4.64 -1.99 -1.22 113.55 119.78 3hox h SER 187 Ca 0.00 0.16 0.03 0.00 -0.47 0.00 0.00 61.79 61.50 3hox h SER 187 Cb 0.00 0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 3hox h SER 187 CO 0.00 0.00 -0.04 0.44 -0.87 0.00 0.00 176.83 176.36 3hox h ASP 188 N 0.47 -0.15 0.36 4.97 3.32 -0.96 -2.52 116.42 121.91 3hox h ASP 188 Ca 0.68 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.76 3hox h ASP 188 Cb 1.41 0.09 0.00 0.00 0.22 0.00 0.00 39.33 41.06 3hox h ASP 188 CO -0.53 -0.06 -0.17 -0.07 -1.72 0.00 0.00 179.24 176.68 3hox h LEU 189 N -0.03 -0.41 -1.09 1.55 3.38 0.16 -1.06 115.31 117.81 3hox h LEU 189 Ca 0.06 0.01 0.42 0.00 0.09 0.00 0.00 57.88 58.47 3hox h LEU 189 Cb 0.12 0.11 -0.16 0.00 0.09 0.00 0.00 40.66 40.82 3hox h LEU 189 CO -0.13 -0.29 0.64 -1.22 0.09 0.00 0.00 178.44 177.53 3hox n TYR 190 N -3.37 0.95 0.17 1.13 0.53 -0.97 0.47 117.16 116.07 3hox n TYR 190 Ca -0.06 0.96 0.04 0.00 -1.02 0.00 0.00 57.90 57.83 3hox n TYR 190 Cb 0.19 -1.38 0.23 0.00 -1.03 0.00 0.00 39.34 37.36 3hox n TYR 190 CO 0.00 0.00 0.00 0.87 -1.02 0.00 0.00 176.86 176.71 3hox h LYS 191 N 0.00 0.00 -0.00 -0.72 1.57 -1.25 -1.86 116.57 114.31 3hox h LYS 191 Ca 0.82 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.60 3hox h LYS 191 Cb 2.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.66 3hox h LYS 191 CO -0.63 0.43 -0.15 1.28 -0.57 0.00 0.00 179.45 179.81 3hox n LEU 192 N -3.42 0.58 0.00 2.94 4.77 1.67 -4.90 117.00 118.64 3hox n LEU 192 Ca 0.00 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3hox n LEU 192 Cb 0.59 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3hox n LEU 192 CO 0.38 0.11 0.00 0.29 -1.33 0.00 0.00 177.39 176.84 3hox n LYS 193 N -0.91 0.00 -1.66 3.23 5.02 0.17 -4.74 118.16 119.27 3hox n LYS 193 Ca 0.13 0.00 -0.47 0.00 -2.02 0.00 0.00 58.31 55.96 3hox n LYS 193 Cb 0.30 -0.38 -0.04 0.00 -0.02 0.00 0.00 35.03 34.88 3hox n LYS 193 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3hox n GLU 194 N -0.27 2.01 -2.38 1.97 -0.58 -1.19 -4.79 120.64 115.42 3hox n GLU 194 Ca 0.00 0.73 -0.42 0.00 -0.42 0.00 0.00 57.16 57.05 3hox n GLU 194 Cb 0.00 -2.48 -0.03 0.00 -0.57 0.00 0.00 31.44 28.36 3hox n GLU 194 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hox h PRO 196 N 6.90 0.43 0.00 0.00 0.13 -1.91 -1.55 132.00 136.00 3hox h PRO 196 Ca -0.41 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 3hox h PRO 196 Cb 1.21 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 3hox h PRO 196 CO 0.83 0.28 -0.11 0.74 -0.23 0.00 0.00 178.00 179.51 3hox h PHE 197 N 0.44 0.00 -2.13 1.56 -1.00 -2.00 -3.44 116.94 110.37 3hox h PHE 197 Ca 0.46 0.00 -0.63 0.00 2.81 0.00 0.00 57.97 60.61 3hox h PHE 197 Cb 0.74 0.00 0.07 0.00 3.61 0.00 0.00 35.95 40.38 3hox h PHE 197 CO -0.16 0.11 0.46 -3.47 -1.61 0.00 0.00 178.31 173.64 3hox n ASP 198 N -3.71 1.99 -1.22 2.17 4.64 -0.59 -4.86 116.55 114.96 3hox n ASP 198 Ca -0.02 1.13 0.09 0.00 -1.38 0.00 0.00 54.79 54.61 3hox n ASP 198 Cb 0.22 -1.29 0.29 0.00 -1.04 0.00 0.00 41.12 39.29 3hox n ASP 198 CO 0.00 0.00 0.00 1.15 -0.82 0.00 0.00 177.20 177.53 3hox n MET 199 N 2.17 3.16 0.00 -0.67 0.00 -1.26 -5.05 117.12 115.48 3hox n MET 199 Ca 0.15 -2.62 0.00 0.00 0.00 0.00 0.00 57.70 55.23 3hox n MET 199 Cb 0.26 -1.64 0.00 0.00 0.00 0.00 0.00 33.22 31.84 3hox n MET 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3hox n GLY 200 N 0.98 1.26 1.31 3.17 0.00 -1.26 -4.81 105.19 105.84 3hox n GLY 200 Ca 0.22 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3hox n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hox n GLY 201 N 0.00 0.75 3.56 -0.02 0.00 -0.96 -4.99 105.19 103.53 3hox n GLY 201 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3hox n GLY 201 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hox s TYR 202 N -2.47 1.80 0.51 1.61 -0.85 -1.26 -4.82 117.35 111.87 3hox s TYR 202 Ca 0.00 -1.24 0.05 0.00 -0.52 0.00 0.00 57.07 55.36 3hox s TYR 202 Cb 0.00 -1.23 0.01 0.00 0.38 0.00 0.00 41.96 41.12 3hox s TYR 202 CO 0.00 -0.22 0.28 -0.06 -1.52 0.00 0.00 175.55 174.03 3hox s PHE 203 N -3.14 1.87 -0.41 -3.49 0.40 0.39 -0.12 117.98 113.47 3hox s PHE 203 Ca 0.20 -0.81 0.04 0.00 -0.60 0.00 0.00 56.93 55.76 3hox s PHE 203 Cb 0.02 -1.87 0.17 0.00 0.51 0.00 0.00 43.02 41.85 3hox s PHE 203 CO 0.13 -0.21 0.34 0.42 0.70 0.00 0.00 175.22 176.60 3hox s ILE 204 N -2.76 0.26 -0.05 0.64 1.01 -1.26 -1.97 121.20 117.07 3hox s ILE 204 Ca 0.30 -2.49 -0.15 0.00 0.00 0.00 0.00 60.65 58.31 3hox s ILE 204 Cb -0.01 -1.19 -0.05 0.00 0.01 0.00 0.00 42.46 41.23 3hox s ILE 204 CO 0.18 -1.17 0.39 -0.63 0.00 0.00 0.00 174.94 173.71 3hox s ILE 205 N 0.20 5.13 0.00 2.92 1.09 -1.07 -1.87 121.20 127.60 3hox s ILE 205 Ca 0.31 0.78 0.00 0.00 -1.10 0.00 0.00 60.65 60.64 3hox s ILE 205 Cb 0.01 -3.70 0.00 0.00 -1.06 0.00 0.00 42.46 37.71 3hox s ILE 205 CO -0.17 0.51 0.00 0.59 -0.10 0.00 0.00 174.94 175.77 3hox n ASN 206 N 2.41 -0.18 0.00 3.58 3.02 -1.22 -1.40 115.26 121.47 3hox n ASN 206 Ca -0.13 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 3hox n ASN 206 Cb 0.52 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 3hox n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hox n GLY 207 N -0.09 3.35 3.80 7.41 0.00 -0.46 -4.43 105.19 114.77 3hox n GLY 207 Ca 0.00 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.70 3hox n GLY 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hox s SER 208 N 0.00 7.17 -0.64 1.61 1.04 -0.49 -4.45 113.70 117.94 3hox s SER 208 Ca 0.00 1.62 -0.26 0.00 0.48 0.00 0.00 55.95 57.79 3hox s SER 208 Cb 0.00 -2.50 -0.05 0.00 0.10 0.00 0.00 66.02 63.57 3hox s SER 208 CO 0.00 -0.04 2.07 -1.61 0.98 0.00 0.00 173.24 174.64 3hox s GLU 209 N -2.11 2.38 0.02 4.02 2.02 -1.26 -2.60 118.70 121.16 3hox s GLU 209 Ca 0.48 0.68 -0.11 0.00 0.02 0.00 0.00 54.97 56.04 3hox s GLU 209 Cb -0.17 -4.58 -0.05 0.00 0.10 0.00 0.00 34.13 29.43 3hox s GLU 209 CO 0.22 -3.14 0.35 0.15 0.02 0.00 0.00 175.26 172.86 3hox s LYS 210 N 7.54 3.75 -0.17 1.61 -0.14 -0.83 -1.16 119.74 130.33 3hox s LYS 210 Ca 0.78 0.18 0.01 0.00 -1.36 0.00 0.00 55.97 55.58 3hox s LYS 210 Cb -0.13 -3.11 0.02 0.00 -1.68 0.00 0.00 37.83 32.93 3hox s LYS 210 CO 0.18 0.65 -0.19 0.08 -0.76 0.00 0.00 175.35 175.31 3hox s VAL 211 N -1.23 1.93 -0.33 3.17 1.01 0.10 -0.46 120.40 124.59 3hox s VAL 211 Ca 0.27 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 61.10 3hox s VAL 211 Cb -0.15 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.50 3hox s VAL 211 CO 0.14 0.52 1.14 -0.76 0.00 0.00 0.00 175.10 176.14 3hox s LEU 212 N 1.29 3.89 0.08 3.92 1.43 -1.26 -0.70 118.68 127.33 3hox s LEU 212 Ca 0.04 1.03 -0.28 0.00 -1.03 0.00 0.00 54.13 53.89 3hox s LEU 212 Cb -0.13 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 3hox s LEU 212 CO -0.11 -0.97 0.89 -0.63 0.23 0.00 0.00 176.35 175.76 3hox s ILE 213 N 3.90 4.61 0.19 -0.59 -1.09 -1.26 -4.66 121.20 122.30 3hox s ILE 213 Ca 0.48 1.91 -0.33 0.00 -2.23 0.00 0.00 60.65 60.49 3hox s ILE 213 Cb -0.13 -4.25 -0.13 0.00 -1.58 0.00 0.00 42.46 36.37 3hox s ILE 213 CO 0.19 0.32 1.55 0.00 -1.23 0.00 0.00 174.94 175.77 3hox n ALA 214 N 2.87 1.48 -3.01 9.38 0.00 -1.06 -4.73 120.51 125.44 3hox n ALA 214 Ca 0.01 0.43 -0.35 0.00 0.00 0.00 0.00 53.44 53.53 3hox n ALA 214 Cb 0.50 -2.35 -0.12 0.00 0.00 0.00 0.00 19.45 17.47 3hox n ALA 214 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3hox s GLN 215 N 0.54 3.71 0.28 0.00 -1.52 -0.82 -0.09 119.66 121.76 3hox s GLN 215 Ca 0.75 -0.47 -0.02 0.00 -1.95 0.00 0.00 55.36 53.67 3hox s GLN 215 Cb -0.65 -3.15 -0.04 0.00 -0.22 0.00 0.00 33.01 28.95 3hox s GLN 215 CO 0.41 0.04 0.49 -2.00 -0.25 0.00 0.00 175.29 173.98 3hox s GLU 216 N 0.95 3.55 -0.09 2.91 2.12 -0.37 -0.94 118.70 126.83 3hox s GLU 216 Ca 0.02 -0.23 -0.32 0.00 0.36 0.00 0.00 54.97 54.81 3hox s GLU 216 Cb -0.14 -2.72 0.13 0.00 0.26 0.00 0.00 34.13 31.66 3hox s GLU 216 CO 0.02 0.26 1.41 -0.98 -0.54 0.00 0.00 175.26 175.43 3hox s ARG 217 N -3.71 0.05 -0.09 4.30 1.04 -0.73 -4.64 118.95 115.18 3hox s ARG 217 Ca 0.41 -0.03 -0.29 0.00 -1.04 0.00 0.00 55.73 54.77 3hox s ARG 217 Cb -0.10 0.02 -0.01 0.00 -2.04 0.00 0.00 34.95 32.81 3hox s ARG 217 CO 0.31 -0.02 1.00 -1.12 -0.04 0.00 0.00 175.30 175.43 3hox s SER 218 N -3.32 7.26 0.31 -2.89 0.01 -1.26 0.63 113.70 114.44 3hox s SER 218 Ca 0.21 1.54 -0.29 0.00 1.31 0.00 0.00 55.95 58.72 3hox s SER 218 Cb 0.05 -2.56 -0.13 0.00 0.21 0.00 0.00 66.02 63.60 3hox s SER 218 CO -0.05 -0.42 1.27 0.00 0.41 0.00 0.00 173.24 174.46 3hox n ALA 219 N 4.83 1.02 -1.04 1.44 0.00 0.70 -4.75 120.51 122.71 3hox n ALA 219 Ca 0.08 0.38 -0.03 0.00 0.00 0.00 0.00 53.44 53.87 3hox n ALA 219 Cb 0.49 -2.22 0.03 0.00 0.00 0.00 0.00 19.45 17.75 3hox n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hox n GLY 220 N 1.17 -2.12 0.73 0.00 0.00 -1.26 -4.67 105.19 99.04 3hox n GLY 220 Ca 0.07 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.57 3hox n GLY 220 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hox n ASN 221 N -3.22 -0.80 -3.63 1.61 3.02 0.23 -4.93 115.26 107.52 3hox n ASN 221 Ca 0.02 0.06 -0.06 0.00 -0.03 0.00 0.00 54.58 54.57 3hox n ASN 221 Cb 0.08 -0.19 -0.06 0.00 -0.61 0.00 0.00 39.78 39.00 3hox n ASN 221 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hox s ILE 222 N -0.10 0.00 -0.07 2.41 1.01 -1.26 -4.56 121.20 118.63 3hox s ILE 222 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 60.65 60.54 3hox s ILE 222 Cb 0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 42.46 41.42 3hox s ILE 222 CO 0.00 0.00 0.28 0.68 0.00 0.00 0.00 174.94 175.90 3hox s VAL 223 N -0.16 5.27 -0.05 2.92 -7.23 -1.26 -4.02 120.40 115.87 3hox s VAL 223 Ca 0.05 0.54 -0.11 0.00 -1.81 0.00 0.00 61.98 60.64 3hox s VAL 223 Cb -0.04 -3.57 0.02 0.00 0.56 0.00 0.00 36.38 33.35 3hox s VAL 223 CO -0.09 0.56 0.26 -1.10 -0.31 0.00 0.00 175.10 174.43 3hox s GLN 224 N -0.80 0.48 -0.09 4.82 -0.21 -0.34 -4.98 119.66 118.55 3hox s GLN 224 Ca 0.19 0.04 0.01 0.00 0.02 0.00 0.00 55.36 55.62 3hox s GLN 224 Cb -0.14 0.22 -0.02 0.00 1.00 0.00 0.00 33.01 34.06 3hox s GLN 224 CO 0.08 -0.10 -0.11 0.14 -2.12 0.00 0.00 175.29 173.18 3hox s VAL 225 N -0.66 3.32 -0.01 1.09 -7.23 -1.25 -0.53 120.40 115.13 3hox s VAL 225 Ca -0.08 -0.60 0.03 0.00 -1.81 0.00 0.00 61.98 59.52 3hox s VAL 225 Cb -0.04 -2.36 -0.01 0.00 0.56 0.00 0.00 36.38 34.53 3hox s VAL 225 CO 0.02 0.57 -0.10 -0.36 -0.31 0.00 0.00 175.10 174.92 3hox s PHE 226 N -0.36 0.90 0.48 2.82 2.99 -0.54 -0.53 117.98 123.74 3hox s PHE 226 Ca 0.04 -0.17 -0.09 0.00 0.00 0.00 0.00 56.93 56.71 3hox s PHE 226 Cb -0.12 -0.58 -0.05 0.00 0.00 0.00 0.00 43.02 42.26 3hox s PHE 226 CO 0.02 -0.02 0.84 0.15 -0.00 0.00 0.00 175.22 176.21 3hox s LYS 227 N -0.20 3.68 0.46 0.44 1.02 -1.26 -1.02 119.74 122.85 3hox s LYS 227 Ca 0.03 0.45 0.08 0.00 0.02 0.00 0.00 55.97 56.56 3hox s LYS 227 Cb -0.04 -2.31 0.01 0.00 -0.52 0.00 0.00 37.83 34.97 3hox s LYS 227 CO -0.00 -0.20 0.52 0.15 -0.92 0.00 0.00 175.35 174.89 3hox s LYS 228 N -4.41 2.57 0.97 1.68 -0.14 -0.41 -4.94 119.74 115.06 3hox s LYS 228 Ca 0.51 -1.50 -0.13 0.00 -1.36 0.00 0.00 55.97 53.49 3hox s LYS 228 Cb -0.10 -2.53 0.17 0.00 -1.68 0.00 0.00 37.83 33.69 3hox s LYS 228 CO 0.40 -0.38 1.13 0.00 -0.76 0.00 0.00 175.35 175.74 3hox s ALA 229 N -2.49 1.38 0.11 5.17 0.00 -1.26 -4.97 121.76 119.68 3hox s ALA 229 Ca 0.51 -0.54 -0.26 0.00 0.00 0.00 0.00 51.96 51.68 3hox s ALA 229 Cb -0.06 -3.04 -0.09 0.00 0.00 0.00 0.00 23.12 19.93 3hox s ALA 229 CO 0.31 -2.62 1.66 0.00 0.00 0.00 0.00 175.76 175.11 3hox h ALA 230 N -1.75 -0.36 -1.92 0.00 0.00 -2.00 -3.33 119.26 109.91 3hox h ALA 230 Ca -0.52 -0.03 -0.61 0.00 0.00 0.00 0.00 54.91 53.75 3hox h ALA 230 Cb 1.33 0.33 -0.12 0.00 0.00 0.00 0.00 17.79 19.33 3hox h ALA 230 CO 0.57 -0.74 0.51 -1.25 0.00 0.00 0.00 179.25 178.35 3hox s PRO 231 N -6.10 3.43 -0.30 0.00 0.04 -1.26 -4.93 135.00 125.88 3hox s PRO 231 Ca -0.15 -0.06 -0.17 0.00 0.04 0.00 0.00 61.00 60.66 3hox s PRO 231 Cb 0.08 -3.97 0.18 0.00 0.04 0.00 0.00 34.50 30.82 3hox s PRO 231 CO 0.65 -1.28 1.15 0.45 0.04 0.00 0.00 177.00 178.01 3hox s SER 232 N 2.43 -0.27 0.42 6.66 0.15 -1.25 -4.99 113.70 116.84 3hox s SER 232 Ca 0.33 0.40 0.29 0.00 0.70 0.00 0.00 55.95 57.67 3hox s SER 232 Cb -0.11 1.24 1.38 0.00 -1.71 0.00 0.00 66.02 66.81 3hox s SER 232 CO 0.23 -0.06 1.88 1.55 1.20 0.00 0.00 173.24 178.04 3hox h PRO 233 N 6.55 0.00 -5.96 5.44 0.13 -1.93 -3.43 132.00 132.81 3hox h PRO 233 Ca -0.19 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.27 3hox h PRO 233 Cb 1.14 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.15 3hox h PRO 233 CO 0.13 0.00 -0.59 0.42 -0.23 0.00 0.00 178.00 177.73 3hox s ILE 234 N -3.60 4.59 0.00 -3.56 1.09 -1.26 -2.22 121.20 116.24 3hox s ILE 234 Ca 0.00 -0.27 0.00 0.00 -1.10 0.00 0.00 60.65 59.28 3hox s ILE 234 Cb 0.09 -3.00 0.00 0.00 -1.06 0.00 0.00 42.46 38.49 3hox s ILE 234 CO 0.39 0.50 0.00 -0.24 -0.10 0.00 0.00 174.94 175.49 3hox n SER 235 N 1.75 0.00 -4.48 3.58 2.88 -1.06 -4.57 113.62 111.72 3hox n SER 235 Ca -0.17 0.32 -0.23 0.00 -1.33 0.00 0.00 58.87 57.46 3hox n SER 235 Cb 0.53 -0.40 -0.11 0.00 -0.75 0.00 0.00 64.21 63.49 3hox n SER 235 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3hox s HIS 236 N -0.79 2.08 -0.01 0.66 3.76 -1.26 -1.29 115.29 118.44 3hox s HIS 236 Ca 0.00 -0.89 -0.02 0.00 -0.15 0.00 0.00 55.06 53.99 3hox s HIS 236 Cb 0.00 -1.38 -0.00 0.00 1.11 0.00 0.00 32.58 32.31 3hox s HIS 236 CO 0.00 0.11 0.05 0.08 -0.85 0.00 0.00 174.74 174.13 3hox s VAL 237 N -3.17 0.04 -0.33 -0.90 1.01 -0.19 -3.27 120.40 113.60 3hox s VAL 237 Ca 0.36 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 3hox s VAL 237 Cb 0.09 -0.18 0.05 0.00 0.00 0.00 0.00 36.38 36.33 3hox s VAL 237 CO 0.16 -0.18 0.06 0.00 0.00 0.00 0.00 175.10 175.14 3hox s ALA 238 N -0.54 2.95 0.03 5.51 0.00 -0.33 -1.46 121.76 127.92 3hox s ALA 238 Ca -0.06 -1.78 0.05 0.00 0.00 0.00 0.00 51.96 50.16 3hox s ALA 238 Cb -0.04 -2.13 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 3hox s ALA 238 CO 0.00 -1.33 -0.10 -1.21 0.00 0.00 0.00 175.76 173.12 3hox s GLU 239 N 1.33 2.38 -0.17 0.00 2.02 0.31 -1.58 118.70 122.99 3hox s GLU 239 Ca -0.03 -0.83 -0.06 0.00 0.02 0.00 0.00 54.97 54.07 3hox s GLU 239 Cb -0.20 -2.40 0.08 0.00 0.10 0.00 0.00 34.13 31.71 3hox s GLU 239 CO 0.01 0.57 0.36 -1.50 0.02 0.00 0.00 175.26 174.73 3hox s ILE 240 N -1.01 -0.56 -0.38 -1.63 1.10 -1.13 -1.20 121.20 116.38 3hox s ILE 240 Ca 0.17 0.21 -0.13 0.00 -0.51 0.00 0.00 60.65 60.39 3hox s ILE 240 Cb -0.11 -0.59 0.01 0.00 0.15 0.00 0.00 42.46 41.92 3hox s ILE 240 CO 0.08 0.09 0.26 -0.13 -2.11 0.00 0.00 174.94 173.13 3hox s ARG 241 N 2.54 3.11 -0.10 3.50 0.52 -1.26 -0.10 118.95 127.16 3hox s ARG 241 Ca -0.01 -0.91 -0.18 0.00 -0.52 0.00 0.00 55.73 54.11 3hox s ARG 241 Cb -0.12 -3.87 -0.04 0.00 0.52 0.00 0.00 34.95 31.44 3hox s ARG 241 CO -0.11 -0.64 0.49 -1.54 0.02 0.00 0.00 175.30 173.52 3hox s SER 242 N 1.67 6.73 -0.07 0.23 1.04 -0.07 0.75 113.70 123.98 3hox s SER 242 Ca 0.05 0.87 -0.03 0.00 0.48 0.00 0.00 55.95 57.32 3hox s SER 242 Cb -0.18 -2.29 0.04 0.00 0.10 0.00 0.00 66.02 63.68 3hox s SER 242 CO 0.09 0.04 0.12 0.00 0.98 0.00 0.00 173.24 174.47 3hox s ALA 243 N 0.41 -0.03 -0.56 5.32 0.00 -1.24 -2.54 121.76 123.12 3hox s ALA 243 Ca 0.26 0.43 -0.26 0.00 0.00 0.00 0.00 51.96 52.40 3hox s ALA 243 Cb -0.16 -0.73 -0.07 0.00 0.00 0.00 0.00 23.12 22.16 3hox s ALA 243 CO 0.11 -0.52 2.33 -0.51 0.00 0.00 0.00 175.76 177.17 3hox s LEU 244 N 2.20 3.31 0.18 0.00 1.43 -1.22 -4.76 118.68 119.83 3hox s LEU 244 Ca 0.03 0.80 0.13 0.00 -1.03 0.00 0.00 54.13 54.05 3hox s LEU 244 Cb -0.12 -2.51 0.63 0.00 0.03 0.00 0.00 46.19 44.21 3hox s LEU 244 CO -0.05 -2.97 0.68 1.21 0.23 0.00 0.00 176.35 175.45 3hox n GLU 245 N 9.00 -0.02 -3.43 1.70 2.13 -1.26 -3.74 120.64 125.03 3hox n GLU 245 Ca 0.36 0.56 -0.05 0.00 0.66 0.00 0.00 57.16 58.69 3hox n GLU 245 Cb 0.53 -1.07 -0.06 0.00 0.27 0.00 0.00 31.44 31.11 3hox n GLU 245 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3hox s LYS 246 N -4.41 0.43 0.00 5.31 1.02 -1.26 -5.00 119.74 115.83 3hox s LYS 246 Ca -0.03 0.92 0.00 0.00 0.02 0.00 0.00 55.97 56.88 3hox s LYS 246 Cb 0.14 0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.63 3hox s LYS 246 CO 0.35 -0.47 0.00 0.41 -0.92 0.00 0.00 175.35 174.72 3hox n GLY 247 N 5.40 1.50 4.02 -3.33 0.00 -1.25 -4.86 105.19 106.68 3hox n GLY 247 Ca -0.06 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3hox n GLY 247 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hox n SER 248 N 0.00 0.00 -3.12 1.61 2.88 -1.26 -4.34 113.62 109.39 3hox n SER 248 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 3hox n SER 248 Cb 0.00 -1.70 0.00 0.00 -0.75 0.00 0.00 64.21 61.76 3hox n SER 248 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3hox n ARG 249 N -2.00 -0.52 -1.71 -1.46 1.74 -1.26 -4.80 116.66 106.65 3hox n ARG 249 Ca 0.00 -0.22 -0.39 0.00 -0.77 0.00 0.00 57.85 56.47 3hox n ARG 249 Cb 0.00 0.33 -0.03 0.00 -1.02 0.00 0.00 32.46 31.74 3hox n ARG 249 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3hox s PHE 250 N -3.40 1.29 -0.77 -1.55 2.99 -1.26 -4.71 117.98 110.57 3hox s PHE 250 Ca 0.01 1.04 0.02 0.00 0.00 0.00 0.00 56.93 58.01 3hox s PHE 250 Cb -0.01 -3.83 0.33 0.00 0.00 0.00 0.00 43.02 39.51 3hox s PHE 250 CO 0.04 -2.96 1.30 -0.89 -0.00 0.00 0.00 175.22 172.71 3hox n ILE 251 N 7.73 4.31 -2.14 0.64 5.41 -1.24 -3.41 119.36 130.66 3hox n ILE 251 Ca 0.30 -5.74 -0.29 0.00 1.00 0.00 0.00 62.75 58.02 3hox n ILE 251 Cb 0.51 -1.50 0.02 0.00 -0.71 0.00 0.00 39.64 37.96 3hox n ILE 251 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3hox s SER 252 N -2.57 5.91 0.31 4.38 1.04 -1.05 -4.80 113.70 116.92 3hox s SER 252 Ca 0.44 1.10 0.08 0.00 0.48 0.00 0.00 55.95 58.06 3hox s SER 252 Cb 0.24 -2.13 -0.06 0.00 0.10 0.00 0.00 66.02 64.16 3hox s SER 252 CO -0.13 -0.97 -0.08 0.42 0.98 0.00 0.00 173.24 173.47 3hox s THR 253 N -3.10 1.93 -0.15 2.02 -4.23 -1.26 -0.89 115.64 109.96 3hox s THR 253 Ca 0.54 -2.16 -0.00 0.00 -1.18 0.00 0.00 61.69 58.88 3hox s THR 253 Cb -0.11 -2.55 0.03 0.00 1.34 0.00 0.00 72.50 71.22 3hox s THR 253 CO 0.50 -0.25 -0.09 -0.22 -0.54 0.00 0.00 174.62 174.02 3hox s LEU 254 N -3.52 1.55 -0.18 4.79 2.96 0.85 -4.67 118.68 120.46 3hox s LEU 254 Ca 0.31 -0.52 -0.13 0.00 -0.22 0.00 0.00 54.13 53.56 3hox s LEU 254 Cb 0.03 -0.98 -0.05 0.00 0.50 0.00 0.00 46.19 45.69 3hox s LEU 254 CO 0.14 -0.13 0.28 -1.10 -1.32 0.00 0.00 176.35 174.23 3hox s GLN 255 N 1.60 4.22 -0.53 1.98 -0.21 -1.24 -2.86 119.66 122.63 3hox s GLN 255 Ca 0.03 0.05 0.04 0.00 0.02 0.00 0.00 55.36 55.49 3hox s GLN 255 Cb -0.14 -3.46 0.15 0.00 1.00 0.00 0.00 33.01 30.56 3hox s GLN 255 CO -0.09 0.17 0.32 0.08 -2.12 0.00 0.00 175.29 173.66 3hox s VAL 256 N 0.68 2.02 0.00 1.09 1.01 -0.61 0.80 120.40 125.39 3hox s VAL 256 Ca 0.15 -3.23 0.00 0.00 0.00 0.00 0.00 61.98 58.91 3hox s VAL 256 Cb -0.13 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.87 3hox s VAL 256 CO 0.04 -0.93 0.00 0.29 0.00 0.00 0.00 175.10 174.50 3hox n LYS 257 N 2.95 2.38 0.00 2.72 5.02 0.17 -1.18 118.16 130.22 3hox n LYS 257 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3hox n LYS 257 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.36 3hox n LYS 257 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3hox n LEU 258 N 0.00 0.00 -3.98 -0.35 7.94 -1.20 -4.44 117.00 114.97 3hox n LEU 258 Ca 0.00 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.71 3hox n LEU 258 Cb 0.00 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.04 3hox n LEU 258 CO 0.00 0.00 -0.44 -1.22 -1.11 0.00 0.00 177.39 174.62 3hox n TYR 259 N 0.00 -1.78 -1.93 1.96 4.02 -0.96 -2.55 117.16 115.91 3hox n TYR 259 Ca 0.00 0.30 0.00 0.00 -0.01 0.00 0.00 57.90 58.19 3hox n TYR 259 Cb 0.00 -1.40 0.00 0.00 -0.02 0.00 0.00 39.34 37.92 3hox n TYR 259 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hox n GLY 260 N 2.71 -5.23 3.92 2.72 0.00 -0.94 -4.02 105.19 104.35 3hox n GLY 260 Ca 0.02 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 3hox n GLY 260 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hox s ARG 261 N -0.93 2.41 -0.15 1.61 0.52 -1.26 -4.31 118.95 116.84 3hox s ARG 261 Ca 0.00 -0.08 -0.25 0.00 -0.52 0.00 0.00 55.73 54.87 3hox s ARG 261 Cb 0.00 -2.16 -0.12 0.00 0.52 0.00 0.00 34.95 33.20 3hox s ARG 261 CO 0.00 -1.13 0.78 -1.91 0.02 0.00 0.00 175.30 173.06 3hox n GLU 262 N -2.89 0.00 0.00 3.54 0.00 -1.26 -2.26 120.64 117.77 3hox n GLU 262 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.23 3hox n GLU 262 Cb 0.59 -0.87 0.00 0.00 0.00 0.00 0.00 31.44 31.17 3hox n GLU 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3hox n GLY 263 N 1.63 2.21 2.29 8.31 0.00 -1.26 -4.95 105.19 113.42 3hox n GLY 263 Ca 0.15 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3hox n GLY 263 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hox n SER 264 N 4.18 0.72 -3.69 1.61 3.41 -0.96 -4.87 113.62 114.03 3hox n SER 264 Ca 0.00 0.71 -0.29 0.00 -0.26 0.00 0.00 58.87 59.03 3hox n SER 264 Cb 0.00 -0.55 0.27 0.00 -0.26 0.00 0.00 64.21 63.67 3hox n SER 264 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3hox n SER 265 N 2.68 -3.32 -1.22 4.04 7.64 -1.26 -4.22 113.62 117.96 3hox n SER 265 Ca 0.21 -0.60 -0.07 0.00 1.01 0.00 0.00 58.87 59.42 3hox n SER 265 Cb -0.04 -1.05 0.02 0.00 -1.01 0.00 0.00 64.21 62.13 3hox n SER 265 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hox n ALA 266 N -5.42 -0.33 -0.86 -0.43 0.00 -1.26 -4.76 120.51 107.44 3hox n ALA 266 Ca 0.09 0.10 -0.28 0.00 0.00 0.00 0.00 53.44 53.35 3hox n ALA 266 Cb 0.56 -1.72 -0.03 0.00 0.00 0.00 0.00 19.45 18.27 3hox n ALA 266 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hox n ARG 267 N -1.79 1.88 -1.86 0.00 5.12 -1.26 -4.12 116.66 114.62 3hox n ARG 267 Ca -0.02 -1.57 -0.29 0.00 -1.93 0.00 0.00 57.85 54.04 3hox n ARG 267 Cb 0.53 -2.59 0.11 0.00 -1.16 0.00 0.00 32.46 29.35 3hox n ARG 267 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 3hox s THR 268 N 3.92 2.00 -0.15 0.55 -1.32 -1.26 -4.60 115.64 114.78 3hox s THR 268 Ca 0.44 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.90 3hox s THR 268 Cb 0.11 -2.97 0.05 0.00 -1.51 0.00 0.00 72.50 68.18 3hox s THR 268 CO 0.01 0.00 0.02 -0.63 -2.21 0.00 0.00 174.62 171.81 3hox s ILE 269 N -3.59 0.50 0.28 5.08 1.01 -1.26 -2.27 121.20 120.95 3hox s ILE 269 Ca 0.64 -0.30 0.09 0.00 0.00 0.00 0.00 60.65 61.08 3hox s ILE 269 Cb -0.10 -0.86 -0.06 0.00 0.01 0.00 0.00 42.46 41.45 3hox s ILE 269 CO 0.50 -0.01 -0.13 -0.54 0.00 0.00 0.00 174.94 174.76 3hox s LYS 270 N 1.89 1.63 0.04 2.79 1.02 -1.26 -2.28 119.74 123.56 3hox s LYS 270 Ca 0.02 -1.79 0.01 0.00 0.02 0.00 0.00 55.97 54.23 3hox s LYS 270 Cb -0.15 -1.50 -0.03 0.00 -0.52 0.00 0.00 37.83 35.63 3hox s LYS 270 CO -0.07 0.19 -0.05 0.00 -0.92 0.00 0.00 175.35 174.50 3hox s ALA 271 N -2.73 0.44 -0.20 5.17 0.00 0.12 0.44 121.76 124.99 3hox s ALA 271 Ca 0.29 -0.81 -0.08 0.00 0.00 0.00 0.00 51.96 51.37 3hox s ALA 271 Cb -0.00 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 3hox s ALA 271 CO 0.13 -0.13 0.09 0.99 0.00 0.00 0.00 175.76 176.84 3hox s THR 272 N -1.90 4.85 -0.11 0.00 2.01 0.24 -1.90 115.64 118.83 3hox s THR 272 Ca -0.08 -0.01 -0.01 0.00 0.31 0.00 0.00 61.69 61.90 3hox s THR 272 Cb -0.07 -3.21 -0.03 0.00 0.01 0.00 0.00 72.50 69.20 3hox s THR 272 CO -0.02 0.42 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.51 3hox s LEU 273 N 0.70 3.17 0.12 4.42 1.43 -1.26 -3.61 118.68 123.65 3hox s LEU 273 Ca 0.04 -0.09 -0.35 0.00 -1.03 0.00 0.00 54.13 52.70 3hox s LEU 273 Cb -0.13 -1.73 -0.16 0.00 0.03 0.00 0.00 46.19 44.20 3hox s LEU 273 CO 0.02 0.26 1.32 -0.81 0.23 0.00 0.00 176.35 177.36 3hox n PRO 274 N 2.92 1.27 -1.04 1.29 -0.04 -1.26 -1.92 135.00 136.21 3hox n PRO 274 Ca -0.18 0.46 -0.01 0.00 -0.04 0.00 0.00 63.50 63.72 3hox n PRO 274 Cb 0.53 -2.07 -0.01 0.00 -0.04 0.00 0.00 33.50 31.91 3hox n PRO 274 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hox n TYR 275 N 2.31 0.00 -3.98 0.54 4.02 -1.26 -4.96 117.16 113.82 3hox n TYR 275 Ca 0.17 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.75 3hox n TYR 275 Cb 0.22 -0.81 -0.15 0.00 -0.02 0.00 0.00 39.34 38.57 3hox n TYR 275 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3hox s ILE 276 N -1.79 1.81 0.08 -0.72 1.01 -0.81 -4.97 121.20 115.81 3hox s ILE 276 Ca 0.00 -1.57 -0.00 0.00 0.00 0.00 0.00 60.65 59.08 3hox s ILE 276 Cb 0.00 -2.09 0.12 0.00 0.01 0.00 0.00 42.46 40.50 3hox s ILE 276 CO 0.00 -0.22 0.43 0.29 0.00 0.00 0.00 174.94 175.45 3hox n LYS 277 N 4.54 -0.02 -0.14 2.79 4.01 -1.25 -4.61 118.16 123.47 3hox n LYS 277 Ca -0.09 0.42 0.00 0.00 -0.51 0.00 0.00 58.31 58.13 3hox n LYS 277 Cb 0.43 -0.66 0.00 0.00 -0.51 0.00 0.00 35.03 34.29 3hox n LYS 277 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 3hox n GLN 278 N -4.25 3.70 -4.64 1.97 7.27 -1.26 -5.12 117.38 115.04 3hox n GLN 278 Ca 0.06 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.79 3hox n GLN 278 Cb 0.19 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 32.72 3hox n GLN 278 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3hox s ASP 279 N 0.86 4.49 -0.09 1.69 1.01 -1.26 -4.45 116.67 118.91 3hox s ASP 279 Ca 0.00 -0.12 -0.02 0.00 0.71 0.00 0.00 52.55 53.12 3hox s ASP 279 Cb 0.00 -1.34 -0.03 0.00 1.01 0.00 0.00 42.92 42.56 3hox s ASP 279 CO 0.00 0.28 0.01 -0.63 0.21 0.00 0.00 175.17 175.04 3hox s ILE 280 N -0.34 4.36 -0.03 0.77 1.01 -0.80 -4.84 121.20 121.33 3hox s ILE 280 Ca 0.04 -0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.17 3hox s ILE 280 Cb -0.12 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 3hox s ILE 280 CO 0.02 0.60 1.33 -2.16 0.00 0.00 0.00 174.94 174.74 3hox s PRO 281 N -0.84 4.30 0.42 2.79 0.04 -1.26 -0.71 135.00 139.73 3hox s PRO 281 Ca 0.13 1.85 0.02 0.00 0.04 0.00 0.00 61.00 63.04 3hox s PRO 281 Cb -0.11 -3.59 0.06 0.00 0.04 0.00 0.00 34.50 30.90 3hox s PRO 281 CO 0.02 -0.55 0.66 0.44 0.04 0.00 0.00 177.00 177.61 3hox n ILE 282 N 4.71 0.00 0.00 0.56 -5.35 -0.97 -1.19 119.36 117.12 3hox n ILE 282 Ca 0.13 0.66 0.00 0.00 -0.27 0.00 0.00 62.75 63.26 3hox n ILE 282 Cb 0.45 -1.29 0.00 0.00 -1.74 0.00 0.00 39.64 37.05 3hox n ILE 282 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 3hox n VAL 283 N -1.86 0.00 -0.34 7.28 0.31 -1.26 -1.31 118.33 121.15 3hox n VAL 283 Ca 0.02 1.25 0.19 0.00 -0.01 0.00 0.00 64.34 65.78 3hox n VAL 283 Cb 0.68 -2.21 0.41 0.00 -0.91 0.00 0.00 33.84 31.80 3hox n VAL 283 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3hox h ILE 284 N 0.00 0.51 -0.81 2.52 2.04 -1.48 0.73 117.51 121.02 3hox h ILE 284 Ca 0.00 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 3hox h ILE 284 Cb 0.00 -0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 35.97 3hox h ILE 284 CO 0.00 0.10 0.41 0.40 0.00 0.00 0.00 178.15 179.06 3hox h ILE 285 N 0.54 1.25 -0.40 -0.67 2.04 -1.59 1.02 117.51 119.69 3hox h ILE 285 Ca 0.65 -0.66 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 3hox h ILE 285 Cb 1.30 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3hox h ILE 285 CO -0.47 0.29 0.02 -0.26 0.00 0.00 0.00 178.15 177.72 3hox h PHE 286 N 1.14 0.76 -0.48 1.37 0.05 0.17 -1.43 116.94 118.51 3hox h PHE 286 Ca 0.28 -0.13 -0.10 0.00 3.82 0.00 0.00 57.97 61.85 3hox h PHE 286 Cb 0.08 -0.20 -0.02 0.00 2.00 0.00 0.00 35.95 37.81 3hox h PHE 286 CO 0.01 0.77 -0.08 -0.09 -0.18 0.00 0.00 178.31 178.74 3hox h ARG 287 N 0.54 0.91 0.00 1.51 2.43 -0.39 -1.88 114.38 117.50 3hox h ARG 287 Ca 0.12 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3hox h ARG 287 Cb 0.45 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3hox h ARG 287 CO 0.02 0.98 0.00 0.00 -1.51 0.00 0.00 179.97 179.46 3hox h ALA 288 N 0.90 1.00 -0.01 2.80 0.00 0.13 0.27 119.26 124.35 3hox h ALA 288 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hox h ALA 288 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3hox h ALA 288 CO 0.04 0.00 -0.24 1.28 0.00 0.00 0.00 179.25 180.33 3hox n LEU 289 N -2.85 0.91 0.00 0.00 4.77 -0.56 -4.80 117.00 114.47 3hox n LEU 289 Ca -0.01 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 3hox n LEU 289 Cb 0.17 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3hox n LEU 289 CO 0.21 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3hox n GLY 290 N 1.34 3.12 3.41 -0.72 0.00 0.08 -4.76 105.19 107.66 3hox n GLY 290 Ca 0.12 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 3hox n GLY 290 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hox n ILE 291 N 0.00 0.00 0.11 -0.61 -0.00 -1.05 -4.71 119.36 113.09 3hox n ILE 291 Ca 0.00 -0.34 -0.18 0.00 -0.00 0.00 0.00 62.75 62.23 3hox n ILE 291 Cb 0.00 -1.11 -0.13 0.00 -0.00 0.00 0.00 39.64 38.40 3hox n ILE 291 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 3hox h ILE 292 N 7.07 1.42 -3.38 1.39 2.04 -1.80 -3.12 117.51 121.13 3hox h ILE 292 Ca 0.01 -2.85 -0.55 0.00 1.00 0.00 0.00 64.86 62.47 3hox h ILE 292 Cb 1.03 2.88 -0.03 0.00 -0.74 0.00 0.00 36.82 39.95 3hox h ILE 292 CO 1.12 0.84 -0.12 -2.16 0.00 0.00 0.00 178.15 177.83 3hox s PRO 293 N -2.75 3.83 0.51 2.37 0.04 -1.26 -4.87 135.00 132.86 3hox s PRO 293 Ca -0.06 0.30 -0.08 0.00 0.04 0.00 0.00 61.00 61.21 3hox s PRO 293 Cb 0.06 -2.74 0.12 0.00 0.04 0.00 0.00 34.50 31.98 3hox s PRO 293 CO 0.90 0.37 0.27 -0.25 0.04 0.00 0.00 177.00 178.33 3hox n ASP 294 N 0.15 -2.38 0.00 6.66 10.43 -1.26 -2.24 116.55 127.91 3hox n ASP 294 Ca -0.01 -0.27 0.00 0.00 2.57 0.00 0.00 54.79 57.08 3hox n ASP 294 Cb 0.52 -0.36 0.00 0.00 1.84 0.00 0.00 41.12 43.12 3hox n ASP 294 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hox n GLY 295 N -1.47 0.00 0.17 0.44 0.00 -1.26 -3.62 105.19 99.44 3hox n GLY 295 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 3hox n GLY 295 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hox h GLU 296 N 0.00 0.56 -0.32 1.61 4.81 -1.91 0.19 114.58 119.51 3hox h GLU 296 Ca 0.00 -0.63 -0.04 0.00 -0.13 0.00 0.00 59.36 58.55 3hox h GLU 296 Cb 0.00 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3hox h GLU 296 CO 0.00 1.25 0.03 0.82 -0.73 0.00 0.00 179.01 180.38 3hox h ILE 297 N 0.15 1.25 0.00 2.32 2.04 -1.51 -1.80 117.51 119.95 3hox h ILE 297 Ca -0.12 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 3hox h ILE 297 Cb 1.57 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 38.84 3hox h ILE 297 CO 0.17 0.29 -0.08 -0.07 0.00 0.00 0.00 178.15 178.46 3hox h LEU 298 N 0.36 0.00 -0.55 1.44 -0.00 -1.81 -2.30 115.31 112.45 3hox h LEU 298 Ca 0.09 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.91 3hox h LEU 298 Cb 0.39 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.03 3hox h LEU 298 CO 0.01 0.08 0.10 -0.33 -0.00 0.00 0.00 178.44 178.30 3hox h GLU 299 N 0.00 0.91 -0.33 1.13 4.39 0.25 0.45 114.58 121.38 3hox h GLU 299 Ca -0.00 -0.24 -0.04 0.00 0.34 0.00 0.00 59.36 59.42 3hox h GLU 299 Cb 0.17 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 3hox h GLU 299 CO 0.01 0.87 0.03 0.45 -1.16 0.00 0.00 179.01 179.21 3hox h HIS 300 N 0.80 0.51 0.00 4.33 3.86 -1.14 -3.26 115.15 120.25 3hox h HIS 300 Ca 0.17 -0.04 -0.10 0.00 -1.16 0.00 0.00 60.37 59.24 3hox h HIS 300 Cb 0.40 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 3hox h HIS 300 CO 0.03 0.49 -0.53 0.82 0.86 0.00 0.00 177.93 179.60 3hox h ILE 301 N 0.48 1.38 -3.45 2.45 2.04 -1.35 -3.38 117.51 115.69 3hox h ILE 301 Ca 0.11 -2.24 -0.66 0.00 1.00 0.00 0.00 64.86 63.07 3hox h ILE 301 Cb 0.27 2.82 -0.28 0.00 -0.74 0.00 0.00 36.82 38.89 3hox h ILE 301 CO 0.00 0.47 -0.71 0.00 0.00 0.00 0.00 178.15 177.92 3hox n TYR 303 N 4.80 2.90 -3.52 0.00 0.53 -1.26 -4.34 117.16 116.27 3hox n TYR 303 Ca -0.18 -2.59 -0.00 0.00 -1.02 0.00 0.00 57.90 54.11 3hox n TYR 303 Cb 0.50 -1.31 -0.04 0.00 -1.03 0.00 0.00 39.34 37.46 3hox n TYR 303 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 3hox s ASP 304 N -1.23 -0.77 -0.00 7.72 -1.08 -1.26 -4.84 116.67 115.21 3hox s ASP 304 Ca 0.57 1.09 0.05 0.00 -0.52 0.00 0.00 52.55 53.74 3hox s ASP 304 Cb 0.45 1.81 0.15 0.00 -1.46 0.00 0.00 42.92 43.87 3hox s ASP 304 CO -0.20 -0.15 1.11 0.52 0.52 0.00 0.00 175.17 176.97 3hox n VAL 305 N 4.97 0.24 -1.59 1.11 0.31 -1.26 -3.53 118.33 118.58 3hox n VAL 305 Ca -0.11 -0.23 0.06 0.00 -0.01 0.00 0.00 64.34 64.04 3hox n VAL 305 Cb 0.52 0.09 0.09 0.00 -0.91 0.00 0.00 33.84 33.64 3hox n VAL 305 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3hox n ASN 306 N -0.00 1.38 -2.63 4.52 3.02 -1.26 -4.70 115.26 115.59 3hox n ASN 306 Ca 0.06 -2.75 -0.33 0.00 -0.03 0.00 0.00 54.58 51.52 3hox n ASN 306 Cb 0.15 -0.36 0.02 0.00 -0.61 0.00 0.00 39.78 38.99 3hox n ASN 306 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3hox n ASP 307 N -0.74 6.20 -0.26 6.41 2.03 -1.23 -4.75 116.55 124.20 3hox n ASP 307 Ca 0.10 -3.78 0.31 0.00 0.52 0.00 0.00 54.79 51.95 3hox n ASP 307 Cb 0.72 -0.76 0.53 0.00 -0.72 0.00 0.00 41.12 40.88 3hox n ASP 307 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 3hox h TRP 308 N 2.70 0.00 0.00 -0.67 5.08 -1.87 0.40 115.95 121.59 3hox h TRP 308 Ca 0.45 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.42 3hox h TRP 308 Cb 0.56 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.72 3hox h TRP 308 CO 1.03 0.00 0.00 1.04 -1.28 0.00 0.00 178.44 179.23 3hox n GLN 309 N -3.40 0.00 -0.19 0.12 1.13 -1.26 0.10 117.38 113.88 3hox n GLN 309 Ca 0.25 0.60 -0.03 0.00 -1.94 0.00 0.00 57.00 55.89 3hox n GLN 309 Cb 1.52 -1.36 0.07 0.00 0.11 0.00 0.00 30.24 30.59 3hox n GLN 309 CO 0.00 0.00 0.00 1.98 -1.44 0.00 0.00 177.06 177.60 3hox h MET 310 N 0.00 0.50 -0.00 -1.09 4.05 -0.67 -2.87 114.93 114.84 3hox h MET 310 Ca 0.00 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 3hox h MET 310 Cb 0.00 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 30.68 3hox h MET 310 CO 0.00 0.33 -0.02 -0.07 0.23 0.00 0.00 176.91 177.38 3hox h LEU 311 N 0.51 -0.07 -0.58 3.39 3.38 -1.05 -1.31 115.31 119.58 3hox h LEU 311 Ca 0.26 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.34 3hox h LEU 311 Cb 0.20 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.88 3hox h LEU 311 CO -0.20 -0.02 -0.17 1.21 0.09 0.00 0.00 178.44 179.35 3hox n GLU 312 N -2.68 -0.08 -0.08 1.13 4.07 0.29 0.25 120.64 123.54 3hox n GLU 312 Ca -0.00 0.90 0.15 0.00 -0.06 0.00 0.00 57.16 58.15 3hox n GLU 312 Cb 0.02 -1.34 0.55 0.00 -0.06 0.00 0.00 31.44 30.61 3hox n GLU 312 CO 0.00 0.00 0.00 0.52 -0.06 0.00 0.00 177.13 177.59 3hox h MET 313 N 0.00 0.29 0.00 5.31 2.86 -1.11 -0.18 114.93 122.10 3hox h MET 313 Ca 0.25 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.78 3hox h MET 313 Cb 0.40 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3hox h MET 313 CO -0.59 0.19 -0.43 -0.07 1.06 0.00 0.00 176.91 177.08 3hox h LEU 314 N 0.30 0.00 -0.28 1.22 3.38 0.39 -3.36 115.31 116.96 3hox h LEU 314 Ca 0.29 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.31 3hox h LEU 314 Cb 0.74 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.41 3hox h LEU 314 CO -0.07 0.43 -0.54 0.11 0.09 0.00 0.00 178.44 178.46 3hox h LYS 315 N 0.00 -0.46 -0.96 1.13 1.57 -0.63 0.48 116.57 117.70 3hox h LYS 315 Ca -0.00 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.92 3hox h LYS 315 Cb 1.26 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 33.59 3hox h LYS 315 CO 0.06 -0.31 0.59 -1.00 -0.57 0.00 0.00 179.45 178.22 3hox h PRO 316 N -0.48 0.91 -0.30 3.15 0.13 -1.70 0.52 132.00 134.23 3hox h PRO 316 Ca 0.06 -0.05 0.05 0.00 -0.87 0.00 0.00 66.00 65.18 3hox h PRO 316 Cb 0.63 -0.21 -0.04 0.00 0.13 0.00 0.00 31.00 31.52 3hox h PRO 316 CO -0.52 0.60 0.04 0.00 -0.23 0.00 0.00 178.00 177.89 3hox h VAL 318 N 0.14 0.00 -1.07 0.00 2.07 0.20 -1.51 116.25 116.08 3hox h VAL 318 Ca 0.14 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.95 3hox h VAL 318 Cb 0.17 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.88 3hox h VAL 318 CO -0.21 0.00 0.73 -0.33 0.02 0.00 0.00 177.57 177.78 3hox h GLU 319 N -0.95 0.19 0.05 1.57 5.08 -1.02 0.29 114.58 119.80 3hox h GLU 319 Ca -0.05 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3hox h GLU 319 Cb 0.85 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 3hox h GLU 319 CO -0.13 0.13 -0.29 0.22 -1.00 0.00 0.00 179.01 177.94 3hox h ASP 320 N 0.20 -0.85 -0.05 1.42 1.82 -0.16 -2.24 116.42 116.56 3hox h ASP 320 Ca 0.56 0.11 0.00 0.00 -0.39 0.00 0.00 57.03 57.30 3hox h ASP 320 Cb 1.80 0.34 0.00 0.00 0.68 0.00 0.00 39.33 42.14 3hox h ASP 320 CO -0.15 -0.37 0.00 0.61 -1.61 0.00 0.00 179.24 177.72 3hox n GLY 321 N -1.40 -0.69 0.47 -0.78 0.00 0.06 -4.30 105.19 98.55 3hox n GLY 321 Ca -0.06 -0.16 0.30 0.00 0.00 0.00 0.00 46.02 46.11 3hox n GLY 321 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hox h PHE 322 N 0.48 0.40 0.00 1.61 3.57 -1.01 -1.56 116.94 120.44 3hox h PHE 322 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3hox h PHE 322 Cb 0.11 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.73 3hox h PHE 322 CO 0.03 -0.01 0.00 0.28 -2.23 0.00 0.00 178.31 176.38 3hox n VAL 323 N -4.47 0.60 -3.66 1.41 0.31 -1.26 -4.55 118.33 106.71 3hox n VAL 323 Ca 0.28 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.53 3hox n VAL 323 Cb 1.13 -0.78 -0.09 0.00 -0.91 0.00 0.00 33.84 33.19 3hox n VAL 323 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3hox s ILE 324 N -0.23 -0.61 0.00 2.52 1.01 -0.59 -5.05 121.20 118.26 3hox s ILE 324 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.81 3hox s ILE 324 Cb 0.00 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.79 3hox s ILE 324 CO 0.00 0.06 0.52 0.00 0.00 0.00 0.00 174.94 175.52 3hox n GLN 325 N 5.30 0.05 -4.34 2.79 3.00 -1.26 -4.98 117.38 117.93 3hox n GLN 325 Ca -0.10 -0.62 -0.20 0.00 -0.01 0.00 0.00 57.00 56.07 3hox n GLN 325 Cb 0.50 -0.88 -0.16 0.00 0.00 0.00 0.00 30.24 29.70 3hox n GLN 325 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 3hox s ASP 326 N -0.20 1.15 0.53 1.08 -4.77 -1.26 -4.86 116.67 108.34 3hox s ASP 326 Ca 0.00 -0.18 0.45 0.00 -3.30 0.00 0.00 52.55 49.52 3hox s ASP 326 Cb 0.00 -0.38 1.66 0.00 -1.09 0.00 0.00 42.92 43.11 3hox s ASP 326 CO 0.00 0.04 1.60 -0.09 0.70 0.00 0.00 175.17 177.42 3hox h ARG 327 N 6.59 0.01 0.70 2.11 2.43 -1.85 0.17 114.38 124.55 3hox h ARG 327 Ca -0.34 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.80 3hox h ARG 327 Cb 1.17 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.72 3hox h ARG 327 CO 0.48 0.01 -0.34 1.49 -1.51 0.00 0.00 179.97 180.10 3hox h GLU 328 N 0.01 -0.91 -0.96 0.20 4.22 -1.93 -2.47 114.58 112.74 3hox h GLU 328 Ca 0.88 0.06 0.12 0.00 0.08 0.00 0.00 59.36 60.50 3hox h GLU 328 Cb 3.39 0.21 -0.08 0.00 0.50 0.00 0.00 28.75 32.77 3hox h GLU 328 CO -0.11 -0.60 0.61 1.15 -2.18 0.00 0.00 179.01 177.88 3hox h THR 329 N -1.23 0.92 -0.07 0.32 2.02 -1.10 -1.37 112.91 112.40 3hox h THR 329 Ca -0.10 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 66.80 3hox h THR 329 Cb 0.74 -0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 3hox h THR 329 CO 0.16 0.17 -0.13 0.00 0.37 0.00 0.00 175.52 176.08 3hox h ALA 330 N 1.55 -0.09 -0.45 6.16 0.00 -1.42 -0.16 119.26 124.85 3hox h ALA 330 Ca 0.47 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.36 3hox h ALA 330 Cb 0.51 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3hox h ALA 330 CO -0.23 -0.60 0.07 -0.07 0.00 0.00 0.00 179.25 178.42 3hox h LEU 331 N -0.19 0.65 -0.29 0.00 4.07 -0.79 -2.59 115.31 116.17 3hox h LEU 331 Ca 0.07 -0.12 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 3hox h LEU 331 Cb 0.28 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.84 3hox h LEU 331 CO -0.18 0.67 0.09 -0.78 -1.08 0.00 0.00 178.44 177.16 3hox h ASP 332 N 0.67 0.42 0.00 -0.43 3.58 -0.91 -2.91 116.42 116.84 3hox h ASP 332 Ca 0.15 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.39 3hox h ASP 332 Cb 0.31 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.25 3hox h ASP 332 CO 0.00 0.51 0.00 0.33 -2.88 0.00 0.00 179.24 177.21 3hox n PHE 333 N -4.71 0.00 -2.83 0.28 7.35 -0.11 -2.07 117.46 115.37 3hox n PHE 333 Ca -0.02 -0.11 -0.11 0.00 -0.76 0.00 0.00 57.45 56.44 3hox n PHE 333 Cb 0.16 -0.23 0.04 0.00 0.35 0.00 0.00 39.48 39.80 3hox n PHE 333 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 3hox n ILE 334 N 1.63 0.34 -1.50 -2.13 5.41 -1.10 -4.86 119.36 117.15 3hox n ILE 334 Ca 0.00 -2.99 -0.18 0.00 1.00 0.00 0.00 62.75 60.58 3hox n ILE 334 Cb 0.07 0.58 0.14 0.00 -0.71 0.00 0.00 39.64 39.72 3hox n ILE 334 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hox n GLY 335 N -0.01 5.31 2.17 7.39 0.00 -0.88 -4.47 105.19 114.70 3hox n GLY 335 Ca 0.11 -1.69 -0.23 0.00 0.00 0.00 0.00 46.02 44.21 3hox n GLY 335 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hox n ARG 336 N -1.01 3.43 -0.02 1.61 1.74 -1.26 -5.06 116.66 116.08 3hox n ARG 336 Ca 0.46 -4.18 0.00 0.00 -0.77 0.00 0.00 57.85 53.36 3hox n ARG 336 Cb 1.06 -2.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 3hox n ARG 336 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3hox n LYS 345 N -0.65 3.51 0.00 5.56 4.81 -1.26 -3.91 118.16 126.22 3hox n LYS 345 Ca 0.40 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 3hox n LYS 345 Cb 0.90 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.95 3hox n LYS 345 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3hox n GLU 346 N -0.01 0.00 0.00 1.64 1.02 -1.26 -4.30 120.64 117.73 3hox n GLU 346 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3hox n GLU 346 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3hox n GLU 346 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3hox n LYS 347 N 0.00 0.00 -0.36 3.49 2.85 -1.26 -3.01 118.16 119.87 3hox n LYS 347 Ca 0.00 0.56 0.03 0.00 -1.05 0.00 0.00 58.31 57.85 3hox n LYS 347 Cb 0.00 -1.29 0.09 0.00 -0.65 0.00 0.00 35.03 33.18 3hox n LYS 347 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 3hox n ARG 348 N -1.80 -0.15 -0.31 -1.58 1.85 -1.26 0.55 116.66 113.96 3hox n ARG 348 Ca 0.00 1.50 0.17 0.00 -1.00 0.00 0.00 57.85 58.52 3hox n ARG 348 Cb 0.00 -2.23 0.43 0.00 -1.05 0.00 0.00 32.46 29.61 3hox n ARG 348 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 3hox h ILE 349 N 0.00 0.64 0.26 8.89 2.04 -1.78 -1.71 117.51 125.85 3hox h ILE 349 Ca 0.40 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 66.06 3hox h ILE 349 Cb 0.64 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 3hox h ILE 349 CO -0.98 0.10 -0.12 -0.61 0.00 0.00 0.00 178.15 176.54 3hox h GLN 350 N 0.56 -0.34 -0.48 2.37 5.75 0.20 -3.18 115.11 119.99 3hox h GLN 350 Ca 0.56 0.02 0.12 0.00 -0.15 0.00 0.00 58.65 59.20 3hox h GLN 350 Cb 1.15 0.08 -0.09 0.00 1.07 0.00 0.00 27.48 29.68 3hox h GLN 350 CO -0.31 -0.22 -0.03 0.98 -2.65 0.00 0.00 178.83 176.60 3hox n TYR 351 N -3.70 0.26 0.06 3.99 9.36 -0.75 0.15 117.16 126.53 3hox n TYR 351 Ca -0.04 0.58 -0.12 0.00 3.32 0.00 0.00 57.90 61.63 3hox n TYR 351 Cb 0.14 -0.83 -0.07 0.00 -0.63 0.00 0.00 39.34 37.94 3hox n TYR 351 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3hox h ALA 352 N 0.96 -0.07 -0.44 2.98 0.00 -1.40 -1.90 119.26 119.40 3hox h ALA 352 Ca 0.27 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.19 3hox h ALA 352 Cb 0.51 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 3hox h ALA 352 CO -0.46 -0.52 -0.37 0.87 0.00 0.00 0.00 179.25 178.76 3hox h LYS 353 N -0.10 -0.14 -0.49 0.00 1.57 0.14 -2.11 116.57 115.44 3hox h LYS 353 Ca -0.01 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3hox h LYS 353 Cb 0.08 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.35 3hox h LYS 353 CO 0.01 -0.09 -0.44 -0.44 -0.57 0.00 0.00 179.45 177.92 3hox h ASP 354 N -0.14 -1.52 0.00 0.86 3.32 -1.35 0.18 116.42 117.76 3hox h ASP 354 Ca 0.07 0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3hox h ASP 354 Cb 0.33 0.64 0.00 0.00 0.22 0.00 0.00 39.33 40.53 3hox h ASP 354 CO -0.49 -0.26 0.39 0.40 -1.72 0.00 0.00 179.24 177.57 3hox h ILE 355 N -0.18 0.00 0.00 0.35 2.04 -0.81 1.47 117.51 120.38 3hox h ILE 355 Ca 0.08 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 3hox h ILE 355 Cb 0.40 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3hox h ILE 355 CO -0.56 0.00 -1.31 0.18 0.00 0.00 0.00 178.15 176.46 3hox n LEU 356 N -2.64 0.63 -0.07 1.44 4.77 -0.01 -1.19 117.00 119.93 3hox n LEU 356 Ca -0.02 0.25 -0.10 0.00 -0.03 0.00 0.00 56.01 56.11 3hox n LEU 356 Cb 0.43 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.41 3hox n LEU 356 CO 0.10 -0.10 0.11 1.56 -1.33 0.00 0.00 177.39 177.73 3hox h GLN 357 N 0.00 0.00 0.00 3.23 1.08 0.26 -3.36 115.11 116.32 3hox h GLN 357 Ca -0.03 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.92 3hox h GLN 357 Cb 1.08 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.46 3hox h GLN 357 CO 0.01 0.65 -2.25 1.63 -0.95 0.00 0.00 178.83 177.91 3hox n LYS 358 N -4.63 0.72 -0.09 1.46 5.02 -0.24 -3.69 118.16 116.70 3hox n LYS 358 Ca -0.10 -0.07 -0.12 0.00 -2.02 0.00 0.00 58.31 56.00 3hox n LYS 358 Cb 0.36 -1.51 -0.15 0.00 -0.02 0.00 0.00 35.03 33.71 3hox n LYS 358 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3hox n GLU 359 N -2.59 0.68 -2.31 1.97 -0.58 -1.10 -4.49 120.64 112.21 3hox n GLU 359 Ca -0.24 0.07 -0.42 0.00 -0.42 0.00 0.00 57.16 56.15 3hox n GLU 359 Cb 0.97 -1.56 -0.03 0.00 -0.57 0.00 0.00 31.44 30.26 3hox n GLU 359 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3hox s PHE 360 N -2.51 2.88 -0.86 -0.32 5.36 -0.33 -3.67 117.98 118.52 3hox s PHE 360 Ca -0.16 0.92 -0.00 0.00 -0.96 0.00 0.00 56.93 56.73 3hox s PHE 360 Cb 0.07 -3.58 0.00 0.00 -0.34 0.00 0.00 43.02 39.17 3hox s PHE 360 CO 0.77 -2.09 0.01 1.28 -1.46 0.00 0.00 175.22 173.74 3hox n LEU 361 N 5.69 -0.53 0.22 6.12 4.32 -1.26 -4.66 117.00 126.90 3hox n LEU 361 Ca 0.13 -0.71 0.09 0.00 -0.02 0.00 0.00 56.01 55.50 3hox n LEU 361 Cb 0.45 -0.88 0.27 0.00 -1.62 0.00 0.00 43.42 41.64 3hox n LEU 361 CO 0.57 0.25 1.08 1.55 -1.22 0.00 0.00 177.39 179.63 3hox h PRO 362 N -0.54 0.00 0.00 3.23 0.13 -1.79 -3.37 132.00 129.66 3hox h PRO 362 Ca -0.36 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.69 3hox h PRO 362 Cb 0.78 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.94 3hox h PRO 362 CO 0.40 0.00 0.07 -2.39 -0.23 0.00 0.00 178.00 175.85 3hox n HIS 363 N -2.78 -3.98 0.00 1.56 1.44 -1.26 -3.72 115.22 106.48 3hox n HIS 363 Ca 0.04 -0.21 0.00 0.00 -2.01 0.00 0.00 57.72 55.54 3hox n HIS 363 Cb 0.96 -0.18 0.00 0.00 0.12 0.00 0.00 29.99 30.89 3hox n HIS 363 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 3hox n ILE 364 N -2.31 0.00 0.00 0.61 5.41 -1.26 -4.62 119.36 117.19 3hox n ILE 364 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 3hox n ILE 364 Cb 0.10 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.03 3hox n ILE 364 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 3hox n THR 365 N 0.00 0.00 1.08 1.39 -1.04 -1.24 -4.96 114.28 109.51 3hox n THR 365 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 3hox n THR 365 Cb 0.00 0.00 0.18 0.00 -1.82 0.00 0.00 70.33 68.69 3hox n THR 365 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hox n GLN 366 N 0.00 2.21 0.00 -2.82 6.02 -1.24 -4.74 117.38 116.81 3hox n GLN 366 Ca 0.00 -1.75 0.00 0.00 -0.01 0.00 0.00 57.00 55.24 3hox n GLN 366 Cb 0.00 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 29.80 3hox n GLN 366 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3hox n LEU 367 N 1.13 0.00 0.00 1.08 4.77 -1.26 -4.07 117.00 118.65 3hox n LEU 367 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3hox n LEU 367 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 3hox n LEU 367 CO 0.15 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.42 3hox n GLU 368 N 0.00 0.00 -0.34 3.23 4.07 -1.26 -4.84 120.64 121.50 3hox n GLU 368 Ca 0.00 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.98 3hox n GLU 368 Cb 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.35 3hox n GLU 368 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hox n GLY 369 N 0.00 0.86 0.67 8.31 0.00 -1.26 -3.89 105.19 109.88 3hox n GLY 369 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3hox n GLY 369 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hox n PHE 370 N 5.47 0.00 -0.22 1.61 3.01 -1.26 -4.82 117.46 121.25 3hox n PHE 370 Ca 0.13 -0.09 0.25 0.00 1.01 0.00 0.00 57.45 58.75 3hox n PHE 370 Cb 0.14 -0.03 0.63 0.00 -0.01 0.00 0.00 39.48 40.22 3hox n PHE 370 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3hox h GLU 371 N 0.16 0.17 0.88 -1.08 3.07 -1.87 0.64 114.58 116.54 3hox h GLU 371 Ca -0.05 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.76 3hox h GLU 371 Cb 1.44 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.32 3hox h GLU 371 CO 0.01 0.11 -0.48 1.03 -1.40 0.00 0.00 179.01 178.29 3hox h SER 372 N 0.17 -1.17 -0.33 1.42 0.87 -1.87 -1.95 113.55 110.69 3hox h SER 372 Ca 0.46 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 61.04 3hox h SER 372 Cb 1.53 0.32 -0.01 0.00 -0.44 0.00 0.00 62.40 63.80 3hox h SER 372 CO -0.09 -0.77 0.08 0.03 -0.53 0.00 0.00 176.83 175.55 3hox h ARG 373 N -1.25 0.53 -0.31 2.24 3.08 -1.27 -1.21 114.38 116.20 3hox h ARG 373 Ca -0.12 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.77 3hox h ARG 373 Cb 0.98 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 3hox h ARG 373 CO 0.16 0.59 0.04 0.87 -1.07 0.00 0.00 179.97 180.56 3hox h LYS 374 N 0.38 0.45 0.03 0.04 1.57 -1.25 -1.76 116.57 116.04 3hox h LYS 374 Ca 0.10 -0.08 -0.23 0.00 -1.87 0.00 0.00 60.65 58.57 3hox h LYS 374 Cb 0.30 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3hox h LYS 374 CO 0.00 0.45 -1.01 0.00 -0.57 0.00 0.00 179.45 178.33 3hox h ALA 375 N 1.61 0.31 -0.10 3.86 0.00 -1.19 -1.58 119.26 122.18 3hox h ALA 375 Ca 0.10 -0.75 -0.06 0.00 0.00 0.00 0.00 54.91 54.20 3hox h ALA 375 Cb 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3hox h ALA 375 CO 0.00 0.85 -0.23 0.74 0.00 0.00 0.00 179.25 180.62 3hox h PHE 376 N 0.19 0.19 0.49 0.00 -1.00 -0.86 -1.91 116.94 114.03 3hox h PHE 376 Ca -0.09 -0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.64 3hox h PHE 376 Cb 1.66 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 41.18 3hox h PHE 376 CO 0.06 0.40 -0.23 0.35 -1.61 0.00 0.00 178.31 177.27 3hox h PHE 377 N 0.16 -0.61 -1.59 -0.55 3.57 -1.24 -0.40 116.94 116.28 3hox h PHE 377 Ca 0.03 -0.01 0.48 0.00 3.53 0.00 0.00 57.97 61.99 3hox h PHE 377 Cb 0.50 0.20 -0.09 0.00 2.79 0.00 0.00 35.95 39.35 3hox h PHE 377 CO 0.01 -0.37 1.10 1.25 -2.23 0.00 0.00 178.31 178.07 3hox h LEU 378 N -1.17 0.10 0.31 0.59 5.85 -1.17 0.98 115.31 120.79 3hox h LEU 378 Ca -0.07 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3hox h LEU 378 Cb 0.51 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3hox h LEU 378 CO 0.11 -0.07 -0.15 1.23 -0.34 0.00 0.00 178.44 179.22 3hox h GLY 379 N 0.04 -0.43 -1.60 3.75 0.00 -1.16 -2.59 103.07 101.08 3hox h GLY 379 Ca 0.83 0.16 0.49 0.00 0.00 0.00 0.00 47.33 48.81 3hox h GLY 379 CO -0.17 -0.16 1.33 -1.82 0.00 0.00 0.00 176.54 175.72 3hox h TYR 380 N -0.89 0.00 0.09 5.60 3.20 0.26 1.23 116.97 126.46 3hox h TYR 380 Ca -0.04 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 3hox h TYR 380 Cb 0.32 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.59 3hox h TYR 380 CO 0.02 0.00 -0.04 0.52 -1.64 0.00 0.00 178.16 177.02 3hox h MET 381 N 0.00 -0.12 -0.32 1.82 2.86 -0.84 -2.67 114.93 115.67 3hox h MET 381 Ca 0.80 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 58.54 3hox h MET 381 Cb 3.45 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 35.12 3hox h MET 381 CO -0.01 0.35 0.23 0.82 1.06 0.00 0.00 176.91 179.36 3hox h ILE 382 N -0.93 0.84 0.58 -1.22 2.04 0.17 0.20 117.51 119.19 3hox h ILE 382 Ca -0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 3hox h ILE 382 Cb 0.53 0.84 0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3hox h ILE 382 CO 0.02 0.00 -0.28 -1.13 0.00 0.00 0.00 178.15 176.76 3hox h ASN 383 N 0.00 -0.66 -0.99 1.72 -1.24 -0.61 -2.40 115.58 111.40 3hox h ASN 383 Ca 0.15 0.02 0.25 0.00 0.71 0.00 0.00 56.30 57.44 3hox h ASN 383 Cb 0.61 0.17 -0.13 0.00 0.73 0.00 0.00 38.32 39.70 3hox h ASN 383 CO -0.00 -0.40 0.56 0.03 -1.29 0.00 0.00 177.43 176.32 3hox h ARG 384 N -0.91 0.50 0.67 6.67 2.47 -0.90 0.24 114.38 123.12 3hox h ARG 384 Ca -0.08 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.58 3hox h ARG 384 Cb 0.60 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.80 3hox h ARG 384 CO 0.13 0.33 -0.37 1.25 0.56 0.00 0.00 179.97 181.87 3hox h LEU 385 N 0.51 -0.89 -0.56 3.04 5.85 -0.58 -2.86 115.31 119.82 3hox h LEU 385 Ca 0.65 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 59.33 3hox h LEU 385 Cb 1.27 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.53 3hox h LEU 385 CO -0.51 -0.59 0.04 -0.07 -0.34 0.00 0.00 178.44 176.97 3hox h LEU 386 N -0.96 0.94 -1.69 2.25 3.38 -0.84 -1.90 115.31 116.47 3hox h LEU 386 Ca -0.09 -0.29 0.29 0.00 0.09 0.00 0.00 57.88 57.88 3hox h LEU 386 Cb 0.76 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 3hox h LEU 386 CO 0.12 0.99 0.91 0.25 0.09 0.00 0.00 178.44 180.80 3hox h LEU 387 N 0.85 0.00 0.00 1.67 6.46 -0.46 0.13 115.31 123.96 3hox h LEU 387 Ca 0.16 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.77 3hox h LEU 387 Cb 0.49 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.40 3hox h LEU 387 CO 0.02 0.00 -0.95 0.00 -0.62 0.00 0.00 178.44 176.89 3hox h ALA 389 N -0.62 2.78 -2.83 0.00 0.00 -0.25 -2.21 119.26 116.13 3hox h ALA 389 Ca -0.23 -0.03 -0.74 0.00 0.00 0.00 0.00 54.91 53.91 3hox h ALA 389 Cb 1.03 0.07 -0.30 0.00 0.00 0.00 0.00 17.79 18.59 3hox h ALA 389 CO -0.14 -1.38 -0.22 -0.51 0.00 0.00 0.00 179.25 177.00 3hox s LEU 390 N -7.24 5.93 0.00 0.00 1.43 0.21 -4.95 118.68 114.07 3hox s LEU 390 Ca -0.04 -2.45 0.00 0.00 -1.03 0.00 0.00 54.13 50.61 3hox s LEU 390 Cb 0.17 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.35 3hox s LEU 390 CO 0.59 -0.57 0.23 0.47 0.23 0.00 0.00 176.35 177.31 3hox n ASP 391 N 4.19 -0.47 -0.02 2.29 9.92 -0.83 -4.21 116.55 127.43 3hox n ASP 391 Ca 0.04 -0.27 -0.02 0.00 -0.53 0.00 0.00 54.79 54.00 3hox n ASP 391 Cb 0.42 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.88 3hox n ASP 391 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3hox n ARG 392 N 1.83 0.73 -4.04 -1.24 1.74 -1.14 -5.02 116.66 109.51 3hox n ARG 392 Ca 0.00 0.02 -0.24 0.00 -0.77 0.00 0.00 57.85 56.85 3hox n ARG 392 Cb 0.12 -1.07 -0.17 0.00 -1.02 0.00 0.00 32.46 30.32 3hox n ARG 392 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3hox s LYS 393 N -2.07 1.22 1.17 5.56 -0.14 -1.14 -5.03 119.74 119.32 3hox s LYS 393 Ca -0.04 -0.17 -0.17 0.00 -1.36 0.00 0.00 55.97 54.23 3hox s LYS 393 Cb 0.01 -1.28 0.20 0.00 -1.68 0.00 0.00 37.83 35.08 3hox s LYS 393 CO 0.08 -0.19 0.42 -0.25 -0.76 0.00 0.00 175.35 174.65 3hox n ASP 394 N 4.62 -2.33 -4.75 2.83 10.43 -1.26 -4.45 116.55 121.64 3hox n ASP 394 Ca -0.15 -0.22 -0.32 0.00 2.57 0.00 0.00 54.79 56.67 3hox n ASP 394 Cb 0.50 -1.05 0.09 0.00 1.84 0.00 0.00 41.12 42.51 3hox n ASP 394 CO 0.00 0.00 0.00 -1.58 -1.07 0.00 0.00 177.20 174.55 3hox s GLN 395 N -3.86 2.21 -0.05 -1.24 0.74 -1.26 -4.94 119.66 111.26 3hox s GLN 395 Ca 0.60 1.35 -0.30 0.00 0.05 0.00 0.00 55.36 57.07 3hox s GLN 395 Cb -0.17 -1.88 -0.03 0.00 1.10 0.00 0.00 33.01 32.04 3hox s GLN 395 CO 0.64 -1.70 1.09 0.34 -0.55 0.00 0.00 175.29 175.11 3hox s ASP 396 N -2.91 7.18 -0.01 6.67 -1.08 0.31 -4.99 116.67 121.85 3hox s ASP 396 Ca 0.65 1.71 -0.30 0.00 -0.52 0.00 0.00 52.55 54.08 3hox s ASP 396 Cb -0.20 -2.56 -0.05 0.00 -1.46 0.00 0.00 42.92 38.64 3hox s ASP 396 CO 0.51 -0.46 1.38 -0.62 0.52 0.00 0.00 175.17 176.50 3hox s ASP 397 N 1.21 6.87 0.00 -0.34 -1.08 -1.26 -4.86 116.67 117.20 3hox s ASP 397 Ca 0.53 2.09 0.16 0.00 -0.52 0.00 0.00 52.55 54.80 3hox s ASP 397 Cb -0.22 -2.56 0.57 0.00 -1.46 0.00 0.00 42.92 39.25 3hox s ASP 397 CO 0.22 -0.71 1.42 -1.14 0.52 0.00 0.00 175.17 175.49 3hox n ARG 398 N 5.38 1.69 -0.04 4.34 0.63 -1.26 -3.76 116.66 123.63 3hox n ARG 398 Ca 0.13 -1.05 0.02 0.00 -0.92 0.00 0.00 57.85 56.02 3hox n ARG 398 Cb 0.44 -1.33 0.04 0.00 0.45 0.00 0.00 32.46 32.06 3hox n ARG 398 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3hox n ASP 399 N 0.30 2.23 -4.57 6.15 8.00 -1.26 -4.96 116.55 122.44 3hox n ASP 399 Ca 0.14 -2.03 -0.40 0.00 0.71 0.00 0.00 54.79 53.21 3hox n ASP 399 Cb 0.29 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 3hox n ASP 399 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3hox s HIS 400 N -1.05 1.62 0.44 1.24 2.46 -1.25 -4.81 115.29 113.94 3hox s HIS 400 Ca 0.06 0.83 0.30 0.00 0.47 0.00 0.00 55.06 56.72 3hox s HIS 400 Cb 0.04 -4.03 1.45 0.00 -0.13 0.00 0.00 32.58 29.90 3hox s HIS 400 CO 0.04 -2.61 1.60 0.35 -2.47 0.00 0.00 174.74 171.64 3hox h PHE 401 N 14.82 0.54 0.00 3.88 3.57 -1.93 0.60 116.94 138.42 3hox h PHE 401 Ca -0.29 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.24 3hox h PHE 401 Cb 1.18 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.79 3hox h PHE 401 CO 1.00 -0.26 0.02 0.41 -2.23 0.00 0.00 178.31 177.25 3hox n GLY 402 N -1.50 -0.48 0.44 2.40 0.00 -1.26 -1.28 105.19 103.50 3hox n GLY 402 Ca 0.39 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.49 3hox n GLY 402 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hox n LYS 403 N -1.48 1.87 -4.34 1.61 5.02 0.21 -4.51 118.16 116.54 3hox n LYS 403 Ca 0.00 -2.75 -0.28 0.00 -2.02 0.00 0.00 58.31 53.26 3hox n LYS 403 Cb 0.02 -1.64 -0.11 0.00 -0.02 0.00 0.00 35.03 33.27 3hox n LYS 403 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3hox s LYS 404 N -2.91 1.74 0.11 1.97 -0.14 -0.41 -0.21 119.74 119.90 3hox s LYS 404 Ca 0.36 -1.30 0.08 0.00 -1.36 0.00 0.00 55.97 53.75 3hox s LYS 404 Cb 0.31 -2.04 -0.04 0.00 -1.68 0.00 0.00 37.83 34.39 3hox s LYS 404 CO 0.04 0.45 -0.19 1.03 -0.76 0.00 0.00 175.35 175.92 3hox s ARG 405 N -2.42 1.10 -0.26 1.68 1.81 0.21 -4.66 118.95 116.41 3hox s ARG 405 Ca 0.20 -1.19 0.03 0.00 -1.72 0.00 0.00 55.73 53.04 3hox s ARG 405 Cb -0.09 -1.26 0.06 0.00 -0.45 0.00 0.00 34.95 33.21 3hox s ARG 405 CO 0.11 0.28 -0.09 -0.51 -0.68 0.00 0.00 175.30 174.40 3hox s LEU 406 N -2.09 3.39 -0.32 2.53 1.43 -0.86 -1.77 118.68 120.99 3hox s LEU 406 Ca 0.07 -1.41 -0.28 0.00 -1.03 0.00 0.00 54.13 51.49 3hox s LEU 406 Cb -0.09 -1.50 0.01 0.00 0.03 0.00 0.00 46.19 44.64 3hox s LEU 406 CO 0.04 -0.21 1.02 -1.81 0.23 0.00 0.00 176.35 175.63 3hox s ASP 407 N 1.13 6.88 0.00 2.29 1.01 -0.12 -4.57 116.67 123.29 3hox s ASP 407 Ca -0.08 0.97 0.00 0.00 0.71 0.00 0.00 52.55 54.15 3hox s ASP 407 Cb -0.20 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.21 3hox s ASP 407 CO -0.05 -0.83 0.00 0.18 0.21 0.00 0.00 175.17 174.67 3hox n LEU 408 N 6.75 0.00 0.00 1.23 4.32 -1.26 -1.95 117.00 126.09 3hox n LEU 408 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.09 3hox n LEU 408 Cb 0.47 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.27 3hox n LEU 408 CO 0.58 0.00 0.20 0.00 -1.22 0.00 0.00 177.39 176.95 3hox n ALA 409 N -3.00 0.00 -0.31 -1.18 0.00 -1.26 -3.04 120.51 111.71 3hox n ALA 409 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3hox n ALA 409 Cb 0.00 0.16 -0.07 0.00 0.00 0.00 0.00 19.45 19.53 3hox n ALA 409 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hox n GLY 410 N -0.72 -2.12 0.39 0.00 0.00 -1.23 -1.43 105.19 100.07 3hox n GLY 410 Ca 0.00 0.92 -0.02 0.00 0.00 0.00 0.00 46.02 46.92 3hox n GLY 410 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hox h PRO 411 N 0.00 -0.01 0.32 1.61 0.11 -1.77 1.43 132.00 133.69 3hox h PRO 411 Ca 0.12 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 3hox h PRO 411 Cb 0.31 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 3hox h PRO 411 CO -0.70 -0.01 -0.19 -0.07 -0.21 0.00 0.00 178.00 176.82 3hox h LEU 412 N -0.01 -0.47 -0.53 2.35 3.38 -1.16 0.12 115.31 118.99 3hox h LEU 412 Ca 0.32 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.43 3hox h LEU 412 Cb 0.58 0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.36 3hox h LEU 412 CO -0.97 -0.31 -0.17 -0.07 0.09 0.00 0.00 178.44 177.02 3hox h LEU 413 N -0.48 -0.62 0.05 1.67 3.38 0.07 0.47 115.31 119.84 3hox h LEU 413 Ca -0.03 0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.12 3hox h LEU 413 Cb 0.40 0.38 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 3hox h LEU 413 CO 0.04 -0.21 -0.45 0.00 0.09 0.00 0.00 178.44 177.90 3hox h ALA 414 N 1.42 -0.91 -1.00 1.53 0.00 0.25 0.53 119.26 121.09 3hox h ALA 414 Ca 0.25 -0.08 0.29 0.00 0.00 0.00 0.00 54.91 55.37 3hox h ALA 414 Cb 0.43 0.87 -0.14 0.00 0.00 0.00 0.00 17.79 18.95 3hox h ALA 414 CO -0.57 -1.03 0.57 0.37 0.00 0.00 0.00 179.25 178.58 3hox h GLN 415 N -0.60 0.41 -0.00 0.00 -0.00 0.52 -0.77 115.11 114.67 3hox h GLN 415 Ca 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.63 3hox h GLN 415 Cb 0.63 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 28.02 3hox h GLN 415 CO -0.28 0.27 -0.01 1.25 0.00 0.00 0.00 178.83 180.07 3hox h LEU 416 N 0.42 0.01 -0.54 -2.39 6.46 0.40 -3.02 115.31 116.64 3hox h LEU 416 Ca 0.69 -0.68 0.10 0.00 -0.12 0.00 0.00 57.88 57.88 3hox h LEU 416 Cb 1.48 -0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 41.32 3hox h LEU 416 CO -0.56 0.69 0.06 0.15 -0.62 0.00 0.00 178.44 178.15 3hox h PHE 417 N -0.67 0.07 0.00 1.25 3.57 0.12 -1.20 116.94 120.08 3hox h PHE 417 Ca -0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3hox h PHE 417 Cb 0.69 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.48 3hox h PHE 417 CO 0.16 -0.07 0.00 1.63 -2.23 0.00 0.00 178.31 177.80 3hox n LYS 418 N -5.18 0.00 -0.25 1.11 5.02 -0.41 0.11 118.16 118.55 3hox n LYS 418 Ca 0.07 0.35 0.30 0.00 -2.02 0.00 0.00 58.31 57.01 3hox n LYS 418 Cb 0.29 -1.22 0.48 0.00 -0.02 0.00 0.00 35.03 34.56 3hox n LYS 418 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3hox h THR 419 N 0.00 0.01 0.00 -0.18 1.35 -1.46 -1.60 112.91 111.04 3hox h THR 419 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3hox h THR 419 Cb 0.00 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 66.44 3hox h THR 419 CO 0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 3hox n LEU 420 N -3.33 0.67 -0.64 3.87 4.77 -0.46 -3.36 117.00 118.51 3hox n LEU 420 Ca 0.25 0.37 0.49 0.00 -0.03 0.00 0.00 56.01 57.09 3hox n LEU 420 Cb 1.55 -0.38 0.76 0.00 -2.33 0.00 0.00 43.42 43.02 3hox n LEU 420 CO 0.26 -0.38 1.37 0.33 -1.33 0.00 0.00 177.39 177.63 3hox n PHE 421 N -1.68 0.08 0.11 -1.77 7.35 0.30 0.15 117.46 122.00 3hox n PHE 421 Ca 0.00 0.08 -0.17 0.00 -0.76 0.00 0.00 57.45 56.60 3hox n PHE 421 Cb 0.00 -0.54 -0.14 0.00 0.35 0.00 0.00 39.48 39.15 3hox n PHE 421 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 3hox h LYS 422 N 0.00 0.31 0.00 -4.13 1.57 -1.59 0.12 116.57 112.85 3hox h LYS 422 Ca 0.88 -0.52 -0.05 0.00 -1.87 0.00 0.00 60.65 59.09 3hox h LYS 422 Cb 3.45 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 35.95 3hox h LYS 422 CO -0.06 1.25 -0.23 -0.22 -0.57 0.00 0.00 179.45 179.62 3hox h LYS 423 N 0.09 0.00 0.12 3.15 3.64 0.14 0.48 116.57 124.18 3hox h LYS 423 Ca -0.15 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.03 3hox h LYS 423 Cb 1.99 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.82 3hox h LYS 423 CO 0.21 0.23 -0.95 1.25 -2.27 0.00 0.00 179.45 177.92 3hox h LEU 424 N 0.00 0.40 -0.90 5.20 5.85 -1.42 -2.94 115.31 121.51 3hox h LEU 424 Ca -0.00 -0.91 0.13 0.00 0.84 0.00 0.00 57.88 57.94 3hox h LEU 424 Cb 0.46 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.27 3hox h LEU 424 CO 0.03 1.44 0.51 0.00 -0.34 0.00 0.00 178.44 180.08 3hox h THR 425 N -0.41 0.81 -0.94 1.05 1.03 -0.25 0.97 112.91 115.19 3hox h THR 425 Ca -0.19 -0.26 -0.59 0.00 -0.01 0.00 0.00 66.41 65.36 3hox h THR 425 Cb 1.63 -0.02 -0.28 0.00 -1.07 0.00 0.00 68.15 68.41 3hox h THR 425 CO 0.11 0.14 0.76 2.29 -0.01 0.00 0.00 175.52 178.81 3hox n LYS 426 N -4.77 2.46 0.00 0.00 2.85 0.16 -3.00 118.16 115.86 3hox n LYS 426 Ca 0.17 -3.00 0.00 0.00 -1.05 0.00 0.00 58.31 54.43 3hox n LYS 426 Cb 0.39 -2.18 0.00 0.00 -0.65 0.00 0.00 35.03 32.60 3hox n LYS 426 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 3hox n ASP 427 N -0.85 2.34 -0.27 -5.58 4.64 0.12 -4.64 116.55 112.31 3hox n ASP 427 Ca 0.58 0.00 0.03 0.00 -1.38 0.00 0.00 54.79 54.02 3hox n ASP 427 Cb 0.93 0.01 0.25 0.00 -1.04 0.00 0.00 41.12 41.26 3hox n ASP 427 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 3hox h ILE 428 N 0.00 1.11 -0.85 5.18 2.04 0.84 -0.85 117.51 124.98 3hox h ILE 428 Ca 0.00 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.53 3hox h ILE 428 Cb 0.58 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 3hox h ILE 428 CO 0.00 0.19 0.56 0.15 0.00 0.00 0.00 178.15 179.04 3hox h PHE 429 N 1.02 1.05 -0.50 1.37 3.57 -1.78 -2.73 116.94 118.93 3hox h PHE 429 Ca 0.35 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.96 3hox h PHE 429 Cb 0.09 -0.35 -0.07 0.00 2.79 0.00 0.00 35.95 38.41 3hox h PHE 429 CO -0.00 0.63 0.10 0.00 -2.23 0.00 0.00 178.31 176.81 3hox h ARG 430 N 1.11 0.23 -0.61 1.11 3.08 -1.41 -0.45 114.38 117.43 3hox h ARG 430 Ca 0.33 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.35 3hox h ARG 430 Cb -0.06 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 3hox h ARG 430 CO -0.09 0.15 0.31 -0.92 -1.07 0.00 0.00 179.97 178.34 3hox h TYR 431 N 0.23 0.86 -0.03 3.04 3.20 -1.44 -2.75 116.97 120.08 3hox h TYR 431 Ca 0.25 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.99 3hox h TYR 431 Cb 0.34 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 3hox h TYR 431 CO -0.23 0.64 -0.45 0.52 -1.64 0.00 0.00 178.16 177.00 3hox h MET 432 N 0.83 0.08 -0.23 1.82 2.86 -1.31 -2.97 114.93 116.01 3hox h MET 432 Ca 0.21 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3hox h MET 432 Cb 0.09 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3hox h MET 432 CO -0.03 0.51 0.00 1.04 1.06 0.00 0.00 176.91 179.50 3hox n GLN 433 N -4.00 0.72 0.00 1.72 6.02 -0.21 -2.43 117.38 119.20 3hox n GLN 433 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3hox n GLN 433 Cb 0.48 -1.12 0.00 0.00 1.02 0.00 0.00 30.24 30.63 3hox n GLN 433 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3hox n ARG 434 N -0.29 3.45 -1.12 -1.09 1.74 -1.13 -4.98 116.66 113.23 3hox n ARG 434 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 3hox n ARG 434 Cb 0.06 -0.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.92 3hox n ARG 434 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3hox n THR 435 N -0.44 0.00 0.87 0.55 -1.04 -1.02 -4.59 114.28 108.60 3hox n THR 435 Ca 0.00 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 3hox n THR 435 Cb 0.00 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.30 3hox n THR 435 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3hox n VAL 436 N 6.72 0.78 0.00 12.58 0.31 -1.26 -5.09 118.33 132.37 3hox n VAL 436 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.59 3hox n VAL 436 Cb 0.44 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 3hox n VAL 436 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hox n GLU 437 N 0.52 0.00 0.00 5.55 4.71 -1.26 -5.30 120.64 124.86 3hox n GLU 437 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3hox n GLU 437 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.84 3hox n GLU 437 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 3hox n LEU 446 N 0.00 0.00 0.00 -4.62 -0.00 -1.26 -5.28 117.00 105.84 3hox n LEU 446 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3hox n LEU 446 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3hox n LEU 446 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 3hox n ALA 447 N 0.68 0.00 -0.89 1.47 0.00 -1.26 -4.84 120.51 115.66 3hox n ALA 447 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 3hox n ALA 447 Cb 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 19.45 19.31 3hox n ALA 447 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3hox n ILE 448 N -1.28 0.94 -0.78 0.00 5.41 -1.26 -4.82 119.36 117.56 3hox n ILE 448 Ca 0.00 -0.83 -0.28 0.00 1.00 0.00 0.00 62.75 62.64 3hox n ILE 448 Cb 0.00 -2.16 -0.09 0.00 -0.71 0.00 0.00 39.64 36.68 3hox n ILE 448 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3hox n ASN 449 N 8.76 0.41 0.00 4.38 2.85 -1.26 -4.65 115.26 125.75 3hox n ASN 449 Ca 0.48 -1.97 0.00 0.00 -0.11 0.00 0.00 54.58 52.99 3hox n ASN 449 Cb 0.42 -0.54 0.00 0.00 1.24 0.00 0.00 39.78 40.89 3hox n ASN 449 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3hox n ALA 450 N 8.85 1.17 -0.10 5.20 0.00 -1.26 -2.40 120.51 131.97 3hox n ALA 450 Ca 0.33 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.65 3hox n ALA 450 Cb 0.39 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.83 3hox n ALA 450 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3hox h LYS 451 N 0.00 0.63 -0.99 0.00 3.64 -1.95 -0.35 116.57 117.56 3hox h LYS 451 Ca 0.00 -0.28 0.10 0.00 -1.27 0.00 0.00 60.65 59.21 3hox h LYS 451 Cb 0.02 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.74 3hox h LYS 451 CO 0.00 0.86 0.63 1.79 -2.27 0.00 0.00 179.45 180.45 3hox h THR 452 N 0.38 0.96 -0.31 1.00 1.35 -1.88 -0.94 112.91 113.48 3hox h THR 452 Ca 0.07 -0.35 -0.18 0.00 -0.55 0.00 0.00 66.41 65.40 3hox h THR 452 Cb 0.67 -0.14 -0.00 0.00 -1.73 0.00 0.00 68.15 66.95 3hox h THR 452 CO 0.04 0.19 -0.51 0.40 -0.25 0.00 0.00 175.52 175.39 3hox h ILE 453 N 1.01 1.28 0.64 6.82 2.04 -1.77 -1.26 117.51 126.28 3hox h ILE 453 Ca 0.47 -1.69 -0.03 0.00 1.00 0.00 0.00 64.86 64.61 3hox h ILE 453 Cb 0.41 1.57 0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3hox h ILE 453 CO -0.23 0.55 -0.31 0.74 0.00 0.00 0.00 178.15 178.91 3hox h THR 454 N 0.68 0.29 -0.12 -0.27 2.02 -1.43 -3.01 112.91 111.07 3hox h THR 454 Ca 0.03 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 3hox h THR 454 Cb 1.11 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 3hox h THR 454 CO 0.11 0.02 -0.02 0.77 0.37 0.00 0.00 175.52 176.77 3hox h SER 455 N -1.02 0.22 -0.72 4.18 4.64 -1.30 -2.79 113.55 116.76 3hox h SER 455 Ca -0.09 -0.36 0.14 0.00 -0.47 0.00 0.00 61.79 61.01 3hox h SER 455 Cb 0.70 -0.06 -0.14 0.00 -0.31 0.00 0.00 62.40 62.59 3hox h SER 455 CO 0.14 0.53 -0.18 1.23 -0.87 0.00 0.00 176.83 177.69 3hox h GLY 456 N -0.09 0.52 0.73 -0.77 0.00 -1.33 0.22 103.07 102.35 3hox h GLY 456 Ca 0.03 0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 3hox h GLY 456 CO 0.01 -0.27 -0.38 1.41 0.00 0.00 0.00 176.54 177.31 3hox h LEU 457 N 0.00 -0.99 -0.18 3.11 3.38 -1.50 -2.91 115.31 116.23 3hox h LEU 457 Ca 0.35 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.41 3hox h LEU 457 Cb 0.53 0.31 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 3hox h LEU 457 CO -0.74 -0.55 -0.36 0.11 0.09 0.00 0.00 178.44 176.99 3hox h LYS 458 N -0.86 -0.30 -0.57 1.13 1.57 -0.79 -1.47 116.57 115.29 3hox h LYS 458 Ca -0.05 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.85 3hox h LYS 458 Cb 0.73 0.07 -0.10 0.00 0.08 0.00 0.00 32.23 33.00 3hox h LYS 458 CO 0.01 -0.20 -0.16 0.98 -0.57 0.00 0.00 179.45 179.50 3hox n TYR 459 N -4.41 0.16 0.00 -1.35 9.36 0.60 -0.43 117.16 121.09 3hox n TYR 459 Ca -0.03 0.69 0.00 0.00 3.32 0.00 0.00 57.90 61.88 3hox n TYR 459 Cb 0.23 -0.80 0.00 0.00 -0.63 0.00 0.00 39.34 38.14 3hox n TYR 459 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3hox n ALA 460 N -3.77 -0.33 -0.06 2.98 0.00 -0.60 -1.52 120.51 117.21 3hox n ALA 460 Ca 0.08 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.77 3hox n ALA 460 Cb 0.27 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.33 3hox n ALA 460 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3hox h LEU 461 N 0.00 0.00 0.19 0.00 4.07 -0.51 0.73 115.31 119.79 3hox h LEU 461 Ca 0.00 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.64 3hox h LEU 461 Cb 0.00 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.76 3hox h LEU 461 CO 0.00 0.00 -1.55 0.00 -1.08 0.00 0.00 178.44 175.81 3hox h ALA 462 N 1.05 0.05 0.00 1.53 0.00 -0.72 -3.40 119.26 117.76 3hox h ALA 462 Ca 0.34 -1.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.09 3hox h ALA 462 Cb 1.97 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 20.10 3hox h ALA 462 CO -0.00 0.85 -0.75 1.79 0.00 0.00 0.00 179.25 181.13 3hox h THR 463 N 0.01 1.24 0.00 0.00 1.35 0.37 -3.49 112.91 112.38 3hox h THR 463 Ca -0.30 -2.22 0.00 0.00 -0.55 0.00 0.00 66.41 63.34 3hox h THR 463 Cb 2.02 2.63 0.00 0.00 -1.73 0.00 0.00 68.15 71.07 3hox h THR 463 CO 0.18 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 3hox n GLY 464 N 1.51 1.06 3.24 5.82 0.00 0.23 -4.82 105.19 112.21 3hox n GLY 464 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 3hox n GLY 464 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hox s ASN 465 N -2.02 6.55 0.00 1.61 0.02 -1.26 -1.42 114.94 118.42 3hox s ASN 465 Ca 0.00 -3.35 0.00 0.00 -1.02 0.00 0.00 52.86 48.49 3hox s ASN 465 Cb 0.00 -2.08 0.00 0.00 0.02 0.00 0.00 41.25 39.19 3hox s ASN 465 CO 0.00 -0.33 0.28 0.79 0.02 0.00 0.00 177.10 177.87 3hox n TRP 466 N 2.96 0.00 -0.39 2.20 5.03 -1.26 -4.29 117.44 121.69 3hox n TRP 466 Ca 0.19 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.72 3hox n TRP 466 Cb 0.40 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.68 3hox n TRP 466 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 3hox n GLY 467 N -0.48 0.00 7.00 6.99 0.00 -1.26 -4.67 105.19 112.77 3hox n GLY 467 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hox n GLY 467 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hox n GLU 468 N 1.50 0.00 0.00 1.61 -0.58 -1.26 -4.16 120.64 117.75 3hox n GLU 468 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3hox n GLU 468 Cb 0.08 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.95 3hox n GLU 468 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 3hox n GLN 469 N -0.23 0.00 0.00 3.49 7.27 -1.26 -4.88 117.38 121.77 3hox n GLN 469 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3hox n GLN 469 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 3hox n GLN 469 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 3hox n LYS 470 N 0.00 0.00 0.00 3.69 5.02 -1.26 -1.81 118.16 123.80 3hox n LYS 470 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3hox n LYS 470 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3hox n LYS 470 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3hox n LYS 471 N 0.00 0.98 -3.74 1.97 4.76 -1.26 -4.63 118.16 116.24 3hox n LYS 471 Ca 0.00 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.09 3hox n LYS 471 Cb 0.00 -1.33 -0.09 0.00 -1.84 0.00 0.00 35.03 31.77 3hox n LYS 471 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hox s ALA 472 N -0.65 3.78 -2.35 7.82 0.00 -0.75 -4.80 121.76 124.81 3hox s ALA 472 Ca 0.00 -3.51 0.29 0.00 0.00 0.00 0.00 51.96 48.73 3hox s ALA 472 Cb 0.00 -2.61 1.18 0.00 0.00 0.00 0.00 23.12 21.69 3hox s ALA 472 CO 0.00 -2.11 1.82 0.00 0.00 0.00 0.00 175.76 175.46 3hox n MET 473 N 2.92 1.48 0.00 0.00 0.00 -1.26 -4.10 117.12 116.16 3hox n MET 473 Ca 0.13 -0.76 0.00 0.00 0.00 0.00 0.00 57.70 57.07 3hox n MET 473 Cb 0.37 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 32.10 3hox n MET 473 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 3hox n SER 474 N -0.10 0.00 -4.87 3.17 3.41 -1.26 -4.69 113.62 109.28 3hox n SER 474 Ca 0.19 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.50 3hox n SER 474 Cb 0.31 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3hox n SER 474 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3hox s SER 475 N -1.99 6.31 -1.22 4.04 0.15 -1.26 -4.86 113.70 114.88 3hox s SER 475 Ca 0.00 1.33 -0.11 0.00 0.70 0.00 0.00 55.95 57.87 3hox s SER 475 Cb 0.00 -2.43 0.19 0.00 -1.71 0.00 0.00 66.02 62.07 3hox s SER 475 CO 0.00 -0.74 1.54 -2.11 1.20 0.00 0.00 173.24 173.12 3hox n ARG 476 N -2.39 3.53 -1.73 5.44 1.85 -1.26 -4.86 116.66 117.23 3hox n ARG 476 Ca 0.05 -3.86 -0.42 0.00 -1.00 0.00 0.00 57.85 52.62 3hox n ARG 476 Cb 0.54 -2.93 -0.01 0.00 -1.05 0.00 0.00 32.46 29.01 3hox n ARG 476 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3hox n ALA 477 N 4.57 2.04 0.00 2.89 0.00 -1.24 -4.02 120.51 124.75 3hox n ALA 477 Ca 0.36 0.37 0.00 0.00 0.00 0.00 0.00 53.44 54.17 3hox n ALA 477 Cb 0.40 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.46 3hox n ALA 477 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hox n GLY 478 N 1.53 3.54 3.75 0.00 0.00 -0.51 -4.96 105.19 108.54 3hox n GLY 478 Ca 0.07 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 3hox n GLY 478 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hox s VAL 479 N 0.00 2.96 -0.26 1.61 -7.23 -1.24 -4.49 120.40 111.75 3hox s VAL 479 Ca 0.00 0.42 -0.01 0.00 -1.81 0.00 0.00 61.98 60.57 3hox s VAL 479 Cb 0.00 -2.90 0.00 0.00 0.56 0.00 0.00 36.38 34.04 3hox s VAL 479 CO 0.00 -0.31 0.05 -0.24 -0.31 0.00 0.00 175.10 174.29 3hox n SER 480 N -2.83 -6.93 -1.57 4.85 2.88 -1.10 -4.29 113.62 104.64 3hox n SER 480 Ca 0.11 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 3hox n SER 480 Cb 0.52 -4.56 0.00 0.00 -0.75 0.00 0.00 64.21 59.42 3hox n SER 480 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hox n GLN 481 N 0.48 2.05 -3.79 -1.46 6.02 0.12 -4.39 117.38 116.42 3hox n GLN 481 Ca 0.01 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.65 3hox n GLN 481 Cb 0.04 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.19 3hox n GLN 481 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hox s VAL 482 N 0.10 3.33 0.00 5.09 1.01 -1.26 0.01 120.40 128.68 3hox s VAL 482 Ca 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 61.98 59.38 3hox s VAL 482 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.14 3hox s VAL 482 CO 0.00 -0.78 0.00 -0.11 0.00 0.00 0.00 175.10 174.21 3hox n LEU 483 N 3.94 0.00 -4.73 3.92 7.94 -0.31 -4.82 117.00 122.93 3hox n LEU 483 Ca 0.03 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.52 3hox n LEU 483 Cb 0.39 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.31 3hox n LEU 483 CO 0.33 0.00 1.14 0.20 -1.11 0.00 0.00 177.39 177.95 3hox s ASN 484 N 0.00 6.66 -0.19 1.96 -0.87 -1.26 -4.89 114.94 116.35 3hox s ASN 484 Ca 0.00 2.59 0.13 0.00 -1.57 0.00 0.00 52.86 54.01 3hox s ASN 484 Cb 0.00 -2.61 0.39 0.00 -0.02 0.00 0.00 41.25 39.02 3hox s ASN 484 CO 0.00 -0.73 1.21 0.54 -2.57 0.00 0.00 177.10 175.54 3hox n ARG 485 N 3.18 1.52 0.36 -0.60 3.00 -1.26 -3.71 116.66 119.14 3hox n ARG 485 Ca 0.10 -3.16 -0.14 0.00 -0.01 0.00 0.00 57.85 54.64 3hox n ARG 485 Cb 0.40 -1.59 -0.07 0.00 0.00 0.00 0.00 32.46 31.21 3hox n ARG 485 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 3hox h TYR 486 N 0.80 -0.85 -3.82 -1.55 0.99 -1.93 -3.43 116.97 107.19 3hox h TYR 486 Ca -0.00 -0.02 -0.33 0.00 2.00 0.00 0.00 58.73 60.38 3hox h TYR 486 Cb 1.01 0.28 -0.15 0.00 1.00 0.00 0.00 36.73 38.87 3hox h TYR 486 CO 0.61 -0.53 -0.63 0.99 -0.00 0.00 0.00 178.16 178.60 3hox s THR 487 N -4.77 0.56 0.05 -2.88 2.01 -1.26 -4.43 115.64 104.92 3hox s THR 487 Ca -0.13 -1.99 -0.31 0.00 0.31 0.00 0.00 61.69 59.56 3hox s THR 487 Cb 0.01 -2.49 -0.17 0.00 0.01 0.00 0.00 72.50 69.86 3hox s THR 487 CO 0.40 -0.13 1.46 0.22 -0.69 0.00 0.00 174.62 175.88 3hox h TYR 488 N 2.48 -1.03 -0.97 4.92 3.20 -1.79 -2.60 116.97 121.18 3hox h TYR 488 Ca -0.38 -0.02 0.25 0.00 3.14 0.00 0.00 58.73 61.71 3hox h TYR 488 Cb 1.24 0.34 -0.13 0.00 1.54 0.00 0.00 36.73 39.72 3hox h TYR 488 CO 0.47 -0.64 0.53 0.66 -1.64 0.00 0.00 178.16 177.54 3hox h SER 489 N -1.12 0.55 0.09 -2.11 4.64 -1.89 -1.23 113.55 112.47 3hox h SER 489 Ca -0.11 0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3hox h SER 489 Cb 0.85 0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 3hox h SER 489 CO 0.19 0.04 -0.13 -1.28 -0.87 0.00 0.00 176.83 174.78 3hox h SER 490 N 0.49 -0.37 -1.55 4.97 0.87 -1.85 -0.01 113.55 116.11 3hox h SER 490 Ca 0.63 0.03 0.50 0.00 -1.23 0.00 0.00 61.79 61.72 3hox h SER 490 Cb 1.22 0.13 -0.12 0.00 -0.44 0.00 0.00 62.40 63.19 3hox h SER 490 CO -0.51 -0.16 1.04 0.74 -0.53 0.00 0.00 176.83 177.42 3hox h THR 491 N -0.23 0.02 0.20 2.23 2.02 -0.85 0.19 112.91 116.50 3hox h THR 491 Ca -0.01 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 3hox h THR 491 Cb 0.21 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 3hox h THR 491 CO -0.04 0.00 -0.10 -0.07 0.37 0.00 0.00 175.52 175.69 3hox h LEU 492 N 0.01 -0.23 -1.20 2.58 3.38 -0.94 -3.00 115.31 115.90 3hox h LEU 492 Ca 0.89 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.87 3hox h LEU 492 Cb 3.09 0.06 0.00 0.00 0.09 0.00 0.00 40.66 43.90 3hox h LEU 492 CO -0.33 -0.02 0.48 -1.28 0.09 0.00 0.00 178.44 177.38 3hox h SER 493 N -0.56 0.00 0.60 -0.43 0.87 0.12 1.10 113.55 115.26 3hox h SER 493 Ca -0.03 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.26 3hox h SER 493 Cb 0.21 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 3hox h SER 493 CO 0.05 0.00 -1.49 -0.74 -0.53 0.00 0.00 176.83 174.11 3hox h HIS 494 N 0.00 0.11 0.00 2.24 -0.00 -1.21 -3.28 115.15 113.01 3hox h HIS 494 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.29 3hox h HIS 494 Cb 0.96 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.36 3hox h HIS 494 CO 0.00 1.11 0.00 -0.07 -0.00 0.00 0.00 177.93 178.97 3hox h LEU 495 N 0.02 0.00 -4.79 0.26 3.38 0.14 -3.08 115.31 111.23 3hox h LEU 495 Ca -0.21 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.14 3hox h LEU 495 Cb 1.95 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 42.30 3hox h LEU 495 CO 0.11 0.00 -0.43 0.54 0.09 0.00 0.00 178.44 178.75 3hox n ARG 496 N -2.64 3.39 -4.79 1.13 1.74 -1.05 -4.91 116.66 109.52 3hox n ARG 496 Ca 0.02 -4.47 -0.30 0.00 -0.77 0.00 0.00 57.85 52.33 3hox n ARG 496 Cb 0.28 -2.26 -0.14 0.00 -1.02 0.00 0.00 32.46 29.32 3hox n ARG 496 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3hox s ARG 497 N -3.62 1.70 -0.01 5.56 3.52 -1.17 -2.30 118.95 122.62 3hox s ARG 497 Ca 0.48 -1.15 0.04 0.00 -0.13 0.00 0.00 55.73 54.98 3hox s ARG 497 Cb 0.37 -1.93 -0.01 0.00 -1.56 0.00 0.00 34.95 31.82 3hox s ARG 497 CO -0.21 0.49 -0.14 -0.08 -0.81 0.00 0.00 175.30 174.56 3hox s THR 498 N -0.86 1.10 0.14 4.11 -1.32 0.53 -2.55 115.64 116.80 3hox s THR 498 Ca 0.12 -0.59 0.02 0.00 -1.21 0.00 0.00 61.69 60.03 3hox s THR 498 Cb -0.10 -0.92 -0.04 0.00 -1.51 0.00 0.00 72.50 69.93 3hox s THR 498 CO 0.03 0.31 0.28 0.21 -2.21 0.00 0.00 174.62 173.25 3hox s ASN 499 N -0.27 6.35 -0.42 8.08 2.47 0.87 -1.83 114.94 130.18 3hox s ASN 499 Ca 0.04 0.21 0.05 0.00 0.42 0.00 0.00 52.86 53.58 3hox s ASN 499 Cb -0.06 -1.93 0.18 0.00 -1.45 0.00 0.00 41.25 38.00 3hox s ASN 499 CO -0.00 0.06 0.42 0.41 -3.72 0.00 0.00 177.10 174.27 3hox n THR 500 N -0.44 -0.99 0.00 -5.21 -1.04 -1.04 -1.23 114.28 104.33 3hox n THR 500 Ca -0.06 -3.16 0.00 0.00 -2.04 0.00 0.00 64.05 58.78 3hox n THR 500 Cb 0.54 -1.31 0.00 0.00 -1.82 0.00 0.00 70.33 67.74 3hox n THR 500 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3hox n PRO 501 N 2.65 0.00 0.00 -2.82 -0.04 -1.26 -4.94 135.00 128.58 3hox n PRO 501 Ca 0.27 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 3hox n PRO 501 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 3hox n PRO 501 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3hox n ILE 502 N 0.00 0.00 0.00 0.52 5.41 -1.26 -5.11 119.36 118.92 3hox n ILE 502 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3hox n ILE 502 Cb 0.00 -0.79 0.00 0.00 -0.71 0.00 0.00 39.64 38.14 3hox n ILE 502 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hox n GLY 503 N 0.40 1.71 0.11 7.39 0.00 -1.26 -4.88 105.19 108.66 3hox n GLY 503 Ca 0.00 -1.83 -0.05 0.00 0.00 0.00 0.00 46.02 44.14 3hox n GLY 503 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hox h ARG 504 N 0.00 -0.15 -1.38 1.61 9.65 -2.06 -3.30 114.38 118.74 3hox h ARG 504 Ca 0.00 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 3hox h ARG 504 Cb 0.00 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 3hox h ARG 504 CO 0.00 0.04 0.00 -0.25 2.80 0.00 0.00 179.97 182.56 3hox n ASP 505 N -4.87 3.17 -3.87 -3.80 9.92 -1.26 -4.91 116.55 110.93 3hox n ASP 505 Ca -0.04 -1.87 -0.23 0.00 -0.53 0.00 0.00 54.79 52.12 3hox n ASP 505 Cb 0.13 -0.59 0.10 0.00 -0.64 0.00 0.00 41.12 40.13 3hox n ASP 505 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hox n GLY 506 N 0.85 -2.37 2.59 0.44 0.00 -1.25 -4.06 105.19 101.40 3hox n GLY 506 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3hox n GLY 506 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hox n LYS 507 N -0.24 0.00 0.00 1.61 5.02 -1.26 -4.94 118.16 118.34 3hox n LYS 507 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3hox n LYS 507 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 3hox n LYS 507 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 3hox n LEU 508 N 0.00 0.00 0.00 -0.35 -0.00 -1.26 -4.61 117.00 110.79 3hox n LEU 508 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3hox n LEU 508 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3hox n LEU 508 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 3hox n ALA 509 N 0.81 0.00 -0.30 1.47 0.00 -1.26 -5.00 120.51 116.23 3hox n ALA 509 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hox n ALA 509 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 3hox n ALA 509 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3hox h LYS 510 N 0.00 -0.04 0.00 0.00 3.64 -1.98 -2.31 116.57 115.88 3hox h LYS 510 Ca 0.00 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 3hox h LYS 510 Cb 0.00 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.77 3hox h LYS 510 CO 0.00 -0.03 -2.11 -0.35 -2.27 0.00 0.00 179.45 174.70 3hox n PRO 511 N -5.50 1.22 0.00 1.90 -0.04 -1.26 -4.38 135.00 126.94 3hox n PRO 511 Ca 0.10 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 3hox n PRO 511 Cb 0.40 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 3hox n PRO 511 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hox n ARG 512 N -2.69 0.00 -2.53 0.54 1.74 -1.17 -4.67 116.66 107.88 3hox n ARG 512 Ca -0.28 0.47 -0.31 0.00 -0.77 0.00 0.00 57.85 56.96 3hox n ARG 512 Cb 0.99 -1.52 -0.02 0.00 -1.02 0.00 0.00 32.46 30.89 3hox n ARG 512 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3hox s GLN 513 N -2.93 3.79 -0.38 5.56 2.00 -0.88 -4.49 119.66 122.33 3hox s GLN 513 Ca 0.00 0.66 -0.22 0.00 -2.00 0.00 0.00 55.36 53.79 3hox s GLN 513 Cb 0.00 -2.25 0.01 0.00 0.80 0.00 0.00 33.01 31.57 3hox s GLN 513 CO 0.00 -0.21 0.74 -1.17 -0.50 0.00 0.00 175.29 174.14 3hox s LEU 514 N -4.21 4.20 0.63 3.68 2.96 -1.26 -5.05 118.68 119.63 3hox s LEU 514 Ca 0.54 0.19 -0.07 0.00 -0.22 0.00 0.00 54.13 54.57 3hox s LEU 514 Cb -0.10 -2.94 0.02 0.00 0.50 0.00 0.00 46.19 43.67 3hox s LEU 514 CO 0.36 -0.73 0.95 -2.28 -1.32 0.00 0.00 176.35 173.33 3hox s HIS 515 N 3.02 3.21 -0.09 5.38 5.65 -1.26 -5.01 115.29 126.17 3hox s HIS 515 Ca 0.29 0.68 -0.27 0.00 0.25 0.00 0.00 55.06 56.00 3hox s HIS 515 Cb -0.13 -2.87 -0.23 0.00 -1.18 0.00 0.00 32.58 28.16 3hox s HIS 515 CO 0.17 -0.99 0.94 -0.91 -0.65 0.00 0.00 174.74 173.30 3hox h ASN 516 N -0.33 -0.01 -1.27 9.88 -0.26 -1.96 -3.04 115.58 118.59 3hox h ASN 516 Ca -0.45 -0.78 0.37 0.00 -0.56 0.00 0.00 56.30 54.88 3hox h ASN 516 Cb 1.27 0.00 -0.08 0.00 -1.06 0.00 0.00 38.32 38.44 3hox h ASN 516 CO 0.61 0.78 0.87 0.71 -1.06 0.00 0.00 177.43 179.35 3hox h THR 517 N -0.81 0.32 -0.02 2.81 1.35 -1.95 0.44 112.91 115.05 3hox h THR 517 Ca -0.00 -0.05 0.01 0.00 -0.55 0.00 0.00 66.41 65.82 3hox h THR 517 Cb 0.78 0.18 -0.00 0.00 -1.73 0.00 0.00 68.15 67.38 3hox h THR 517 CO 0.00 0.02 0.02 0.45 -0.25 0.00 0.00 175.52 175.76 3hox h HIS 518 N 0.13 0.00 -1.35 4.73 3.86 -1.90 -3.44 115.15 117.19 3hox h HIS 518 Ca 0.68 0.00 -0.73 0.00 -1.16 0.00 0.00 60.37 59.16 3hox h HIS 518 Cb 2.31 0.00 0.05 0.00 1.06 0.00 0.00 27.41 30.83 3hox h HIS 518 CO -0.00 0.00 0.27 1.87 0.86 0.00 0.00 177.93 180.93 3hox n TRP 519 N -4.18 1.10 0.00 2.45 -0.00 0.15 -1.35 117.44 115.62 3hox n TRP 519 Ca -0.02 0.84 0.00 0.00 -0.00 0.00 0.00 57.50 58.32 3hox n TRP 519 Cb 0.11 -2.22 0.00 0.00 -0.00 0.00 0.00 31.31 29.20 3hox n TRP 519 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3hox n GLY 520 N 2.06 2.49 0.13 5.87 0.00 -1.26 -4.73 105.19 109.75 3hox n GLY 520 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 3hox n GLY 520 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hox n LEU 521 N 0.00 2.32 -4.40 0.99 4.77 -0.45 -4.55 117.00 115.68 3hox n LEU 521 Ca 0.00 0.30 -0.30 0.00 -0.03 0.00 0.00 56.01 55.98 3hox n LEU 521 Cb 0.00 -1.06 -0.13 0.00 -2.33 0.00 0.00 43.42 39.90 3hox n LEU 521 CO 0.00 0.62 -0.55 -0.69 -1.33 0.00 0.00 177.39 175.44 3hox s VAL 522 N -2.48 2.37 0.32 4.08 1.01 -0.90 -0.80 120.40 124.01 3hox s VAL 522 Ca -0.25 -1.54 -0.29 0.00 0.00 0.00 0.00 61.98 59.90 3hox s VAL 522 Cb 0.06 -2.01 -0.10 0.00 0.00 0.00 0.00 36.38 34.33 3hox s VAL 522 CO 0.70 0.21 1.30 0.00 0.00 0.00 0.00 175.10 177.31 3hox h PRO 524 N 3.52 0.31 0.12 0.00 0.13 -1.91 -3.39 132.00 130.78 3hox h PRO 524 Ca -0.49 -0.45 -0.27 0.00 -0.87 0.00 0.00 66.00 63.92 3hox h PRO 524 Cb 1.22 0.16 0.03 0.00 0.13 0.00 0.00 31.00 32.54 3hox h PRO 524 CO 0.66 1.18 -1.15 0.00 -0.23 0.00 0.00 178.00 178.46 3hox h ALA 525 N 0.15 -0.03 -1.39 -0.56 0.00 -1.93 -3.45 119.26 112.05 3hox h ALA 525 Ca -0.11 -0.75 -0.53 0.00 0.00 0.00 0.00 54.91 53.52 3hox h ALA 525 Cb 1.49 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.32 3hox h ALA 525 CO 0.13 0.61 1.12 -2.00 0.00 0.00 0.00 179.25 179.12 3hox s GLU 526 N -2.90 3.07 -0.04 0.00 2.12 -1.26 -4.05 118.70 115.64 3hox s GLU 526 Ca -0.10 -0.04 -0.25 0.00 0.36 0.00 0.00 54.97 54.94 3hox s GLU 526 Cb 0.05 -4.22 0.05 0.00 0.26 0.00 0.00 34.13 30.26 3hox s GLU 526 CO 0.91 -2.27 0.53 -0.08 -0.54 0.00 0.00 175.26 173.81 3hox s THR 527 N 6.47 0.02 0.38 -1.70 -1.32 -1.26 -4.20 115.64 114.03 3hox s THR 527 Ca 0.42 -0.18 -0.28 0.00 -1.21 0.00 0.00 61.69 60.44 3hox s THR 527 Cb -0.09 -0.85 -0.10 0.00 -1.51 0.00 0.00 72.50 69.95 3hox s THR 527 CO 0.16 -0.10 1.45 -2.16 -2.21 0.00 0.00 174.62 171.76 3hox s PRO 528 N -1.22 4.08 0.31 7.08 0.04 -1.26 -4.90 135.00 139.13 3hox s PRO 528 Ca -0.12 2.49 -0.29 0.00 0.04 0.00 0.00 61.00 63.12 3hox s PRO 528 Cb -0.02 -2.93 -0.10 0.00 0.04 0.00 0.00 34.50 31.49 3hox s PRO 528 CO 0.08 -0.52 1.14 -1.21 0.04 0.00 0.00 177.00 176.52 3hox s GLU 529 N -2.10 4.50 1.19 4.56 2.02 -1.26 -4.08 118.70 123.53 3hox s GLU 529 Ca 0.53 1.86 0.00 0.00 0.02 0.00 0.00 54.97 57.38 3hox s GLU 529 Cb -0.45 -3.08 0.00 0.00 0.10 0.00 0.00 34.13 30.71 3hox s GLU 529 CO 0.60 0.07 0.00 0.41 0.02 0.00 0.00 175.26 176.37 3hox n GLY 530 N 1.01 -0.23 7.00 -1.39 0.00 -1.26 -4.76 105.19 105.56 3hox n GLY 530 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3hox n GLY 530 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hox n GLN 531 N -0.85 0.00 -1.33 1.61 10.64 -1.26 -1.60 117.38 124.59 3hox n GLN 531 Ca 0.00 0.00 -0.38 0.00 -1.83 0.00 0.00 57.00 54.79 3hox n GLN 531 Cb 0.00 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.34 3hox n GLN 531 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3hox n ALA 532 N 9.84 7.48 -2.65 2.61 0.00 -1.26 -4.91 120.51 131.61 3hox n ALA 532 Ca 0.00 -3.47 -0.43 0.00 0.00 0.00 0.00 53.44 49.54 3hox n ALA 532 Cb 0.00 -3.29 -0.02 0.00 0.00 0.00 0.00 19.45 16.14 3hox n ALA 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hox n GLY 534 N 3.31 1.67 0.09 0.00 0.00 -1.26 -4.66 105.19 104.34 3hox n GLY 534 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 3hox n GLY 534 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hox n LEU 535 N 0.00 0.84 -4.35 0.99 4.77 -1.18 -4.54 117.00 113.53 3hox n LEU 535 Ca 0.00 0.38 -0.37 0.00 -0.03 0.00 0.00 56.01 55.99 3hox n LEU 535 Cb 0.00 0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 41.06 3hox n LEU 535 CO 0.00 0.18 -0.29 -0.69 -1.33 0.00 0.00 177.39 175.26 3hox s VAL 536 N -2.88 3.92 0.29 4.08 1.01 -1.23 -2.49 120.40 123.11 3hox s VAL 536 Ca -0.03 -0.61 0.10 0.00 0.00 0.00 0.00 61.98 61.44 3hox s VAL 536 Cb 0.09 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 3hox s VAL 536 CO 0.81 0.16 -0.07 -0.54 0.00 0.00 0.00 175.10 175.46 3hox s LYS 537 N 1.51 2.02 -0.13 2.72 1.02 -0.76 -4.46 119.74 121.66 3hox s LYS 537 Ca 0.03 -1.63 0.02 0.00 0.02 0.00 0.00 55.97 54.41 3hox s LYS 537 Cb -0.17 -1.96 0.01 0.00 -0.52 0.00 0.00 37.83 35.20 3hox s LYS 537 CO 0.02 0.29 -0.20 -0.80 -0.92 0.00 0.00 175.35 173.73 3hox s ASN 538 N -3.63 2.92 0.33 2.83 0.01 -1.26 -0.35 114.94 115.79 3hox s ASN 538 Ca 0.32 -0.55 -0.29 0.00 -0.71 0.00 0.00 52.86 51.62 3hox s ASN 538 Cb -0.04 -1.34 -0.11 0.00 0.41 0.00 0.00 41.25 40.17 3hox s ASN 538 CO 0.18 0.06 1.53 -0.76 -1.51 0.00 0.00 177.10 176.60 3hox s LEU 539 N 0.87 4.34 1.16 0.60 1.43 -0.97 -0.87 118.68 125.25 3hox s LEU 539 Ca -0.07 2.97 -0.15 0.00 -1.03 0.00 0.00 54.13 55.85 3hox s LEU 539 Cb -0.15 -3.65 0.27 0.00 0.03 0.00 0.00 46.19 42.69 3hox s LEU 539 CO -0.02 -0.88 1.05 -0.44 0.23 0.00 0.00 176.35 176.29 3hox s SER 540 N 0.19 1.13 0.00 2.29 0.01 0.02 -4.67 113.70 112.67 3hox s SER 540 Ca 0.58 1.13 0.00 0.00 1.31 0.00 0.00 55.95 58.97 3hox s SER 540 Cb -0.47 -1.73 0.00 0.00 0.21 0.00 0.00 66.02 64.03 3hox s SER 540 CO 0.54 -4.05 0.47 0.18 0.41 0.00 0.00 173.24 170.80 3hox n LEU 541 N -4.78 0.00 -0.33 2.44 4.77 -1.05 -3.83 117.00 114.22 3hox n LEU 541 Ca 0.07 0.47 0.07 0.00 -0.03 0.00 0.00 56.01 56.59 3hox n LEU 541 Cb 0.57 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.83 3hox n LEU 541 CO 0.53 0.00 0.72 0.24 -1.33 0.00 0.00 177.39 177.56 3hox h MET 542 N 0.00 0.01 -6.09 3.23 2.86 -1.90 -3.44 114.93 109.60 3hox h MET 542 Ca 0.00 -0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.06 3hox h MET 542 Cb 0.00 -0.00 0.20 0.00 0.06 0.00 0.00 31.60 31.86 3hox h MET 542 CO 0.00 0.01 -1.33 -1.13 1.06 0.00 0.00 176.91 175.52 3hox n SER 543 N -5.54 -4.25 -2.40 1.22 3.41 -1.25 -4.79 113.62 100.02 3hox n SER 543 Ca 0.17 0.46 -0.10 0.00 -0.26 0.00 0.00 58.87 59.14 3hox n SER 543 Cb 0.55 -0.86 -0.02 0.00 -0.26 0.00 0.00 64.21 63.61 3hox n SER 543 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hox s ILE 545 N -2.67 0.66 0.09 0.00 1.01 -1.26 -1.65 121.20 117.37 3hox s ILE 545 Ca 0.20 -0.19 -0.36 0.00 0.00 0.00 0.00 60.65 60.30 3hox s ILE 545 Cb -0.01 -0.66 -0.16 0.00 0.01 0.00 0.00 42.46 41.64 3hox s ILE 545 CO 0.14 0.25 1.44 -1.54 0.00 0.00 0.00 174.94 175.24 3hox n SER 546 N 4.05 2.16 0.02 3.58 3.41 -0.32 -4.83 113.62 121.69 3hox n SER 546 Ca -0.24 1.10 -0.07 0.00 -0.26 0.00 0.00 58.87 59.40 3hox n SER 546 Cb 0.51 -1.26 -0.12 0.00 -0.26 0.00 0.00 64.21 63.07 3hox n SER 546 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3hox h VAL 547 N 3.55 1.21 0.00 -3.33 3.04 -1.90 0.21 116.25 119.05 3hox h VAL 547 Ca -0.47 -2.97 0.00 0.00 -1.01 0.00 0.00 66.70 62.25 3hox h VAL 547 Cb 1.31 2.59 0.00 0.00 -2.01 0.00 0.00 31.29 33.18 3hox h VAL 547 CO 0.82 0.69 0.00 0.61 -1.01 0.00 0.00 177.57 178.68 3hox n GLY 548 N 1.45 2.06 0.00 3.17 0.00 -1.26 -4.63 105.19 105.98 3hox n GLY 548 Ca -0.08 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3hox n GLY 548 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hox n THR 549 N 0.77 0.00 -4.57 2.61 -1.04 -1.08 -4.93 114.28 106.03 3hox n THR 549 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 3hox n THR 549 Cb 0.00 -0.77 -0.11 0.00 -1.82 0.00 0.00 70.33 67.63 3hox n THR 549 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3hox s ASP 550 N -0.89 4.32 0.18 8.00 -1.08 -1.26 -4.78 116.67 121.16 3hox s ASP 550 Ca 0.00 -0.23 -0.07 0.00 -0.52 0.00 0.00 52.55 51.74 3hox s ASP 550 Cb 0.00 -0.92 0.08 0.00 -1.46 0.00 0.00 42.92 40.62 3hox s ASP 550 CO 0.00 0.28 1.55 1.55 0.52 0.00 0.00 175.17 179.07 3hox h PRO 551 N 4.64 0.81 0.08 4.34 0.13 -2.00 -3.40 132.00 136.60 3hox h PRO 551 Ca -0.48 -0.39 0.01 0.00 -0.87 0.00 0.00 66.00 64.27 3hox h PRO 551 Cb 1.16 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 3hox h PRO 551 CO 0.52 1.02 -0.42 0.52 -0.23 0.00 0.00 178.00 179.41 3hox h MET 552 N 0.68 -0.56 -1.51 0.86 2.86 -1.97 0.65 114.93 115.93 3hox h MET 552 Ca 0.07 0.04 0.45 0.00 -2.06 0.00 0.00 59.70 58.19 3hox h MET 552 Cb 0.88 0.13 -0.08 0.00 0.06 0.00 0.00 31.60 32.59 3hox h MET 552 CO 0.08 -0.37 1.07 -1.00 1.06 0.00 0.00 176.91 177.74 3hox h PRO 553 N -0.58 0.04 0.06 -0.22 0.13 -2.00 0.22 132.00 129.65 3hox h PRO 553 Ca -0.00 -0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.78 3hox h PRO 553 Cb 0.59 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.68 3hox h PRO 553 CO -0.24 0.02 -2.03 -0.89 -0.23 0.00 0.00 178.00 174.64 3hox n ILE 554 N -4.20 1.66 0.05 -3.56 -0.00 -0.85 -2.55 119.36 109.92 3hox n ILE 554 Ca 0.35 -0.70 -0.03 0.00 -0.00 0.00 0.00 62.75 62.37 3hox n ILE 554 Cb 1.56 -1.39 -0.02 0.00 -0.00 0.00 0.00 39.64 39.80 3hox n ILE 554 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 3hox h ILE 555 N 0.04 0.00 -0.75 1.39 2.04 0.33 -1.66 117.51 118.90 3hox h ILE 555 Ca -0.42 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.59 3hox h ILE 555 Cb 2.03 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.97 3hox h ILE 555 CO 0.05 0.00 -0.19 0.74 0.00 0.00 0.00 178.15 178.75 3hox h THR 556 N -0.17 0.25 -1.06 -0.27 2.02 -1.14 0.23 112.91 112.77 3hox h THR 556 Ca -0.01 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.47 3hox h THR 556 Cb 0.14 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 66.75 3hox h THR 556 CO 0.00 0.00 0.76 0.15 0.37 0.00 0.00 175.52 176.80 3hox h PHE 557 N -0.00 0.03 0.00 3.16 3.57 -1.24 -2.46 116.94 119.99 3hox h PHE 557 Ca 0.36 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.86 3hox h PHE 557 Cb 0.55 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.28 3hox h PHE 557 CO -0.60 0.00 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.38 3hox h LEU 558 N 0.02 0.00 -1.91 0.59 3.38 0.42 -3.35 115.31 114.46 3hox h LEU 558 Ca 0.51 0.00 0.45 0.00 0.09 0.00 0.00 57.88 58.93 3hox h LEU 558 Cb 2.00 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.69 3hox h LEU 558 CO -0.02 0.20 1.18 0.77 0.09 0.00 0.00 178.44 180.66 3hox h SER 559 N -0.36 0.00 -0.27 -0.43 4.64 -1.44 1.42 113.55 117.11 3hox h SER 559 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 3hox h SER 559 Cb 0.04 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.05 3hox h SER 559 CO 0.00 0.00 0.16 -0.62 -0.87 0.00 0.00 176.83 175.50 3hox n GLU 560 N -3.94 1.49 0.00 4.77 1.02 -0.94 -3.64 120.64 119.41 3hox n GLU 560 Ca 0.35 -0.87 0.00 0.00 -0.02 0.00 0.00 57.16 56.61 3hox n GLU 560 Cb 1.66 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 31.68 3hox n GLU 560 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 3hox n TRP 561 N 0.05 0.00 0.00 -0.32 7.02 0.48 -5.01 117.44 119.66 3hox n TRP 561 Ca 0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.64 3hox n TRP 561 Cb 0.78 0.04 0.00 0.00 -2.42 0.00 0.00 31.31 29.72 3hox n TRP 561 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hox n GLY 562 N 0.00 0.02 3.40 6.99 0.00 -0.99 -4.91 105.19 109.71 3hox n GLY 562 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3hox n GLY 562 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hox s MET 563 N 0.00 3.05 -0.75 1.61 0.00 -1.22 -3.94 119.30 118.05 3hox s MET 563 Ca 0.00 -1.18 -0.24 0.00 0.00 0.00 0.00 55.69 54.27 3hox s MET 563 Cb 0.00 -4.15 0.06 0.00 0.00 0.00 0.00 34.83 30.73 3hox s MET 563 CO 0.00 -1.22 1.14 -2.00 0.00 0.00 0.00 175.02 172.94 3hox s GLU 564 N 2.23 3.23 -0.27 4.11 2.12 0.37 -4.69 118.70 125.80 3hox s GLU 564 Ca 0.10 -0.72 -0.38 0.00 0.36 0.00 0.00 54.97 54.33 3hox s GLU 564 Cb -0.23 -4.38 -0.14 0.00 0.26 0.00 0.00 34.13 29.65 3hox s GLU 564 CO 0.09 -1.97 1.92 -0.35 -0.54 0.00 0.00 175.26 174.40 3hox n PRO 565 N 8.34 1.31 -0.13 4.30 -0.04 -1.26 -1.21 135.00 146.30 3hox n PRO 565 Ca 0.05 0.45 0.13 0.00 -0.04 0.00 0.00 63.50 64.08 3hox n PRO 565 Cb 0.48 -2.31 0.23 0.00 -0.04 0.00 0.00 33.50 31.86 3hox n PRO 565 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3hox n LEU 566 N 7.04 0.13 -0.33 1.53 7.94 -1.20 -0.24 117.00 131.86 3hox n LEU 566 Ca 0.31 0.62 0.35 0.00 -1.11 0.00 0.00 56.01 56.18 3hox n LEU 566 Cb 0.19 -0.30 0.59 0.00 0.53 0.00 0.00 43.42 44.42 3hox n LEU 566 CO 0.78 -0.69 1.32 -0.33 -1.11 0.00 0.00 177.39 177.36 3hox h GLU 567 N 0.00 0.00 -1.85 1.96 4.39 -1.89 -1.64 114.58 115.54 3hox h GLU 567 Ca 0.33 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.54 3hox h GLU 567 Cb 0.89 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.13 3hox h GLU 567 CO -0.28 0.00 -1.07 -0.40 -1.16 0.00 0.00 179.01 176.10 3hox n ASP 568 N -3.52 1.85 -4.88 1.42 5.75 0.67 -4.96 116.55 112.88 3hox n ASP 568 Ca 0.28 -3.13 -0.30 0.00 -0.01 0.00 0.00 54.79 51.63 3hox n ASP 568 Cb 1.58 -0.58 -0.03 0.00 -1.03 0.00 0.00 41.12 41.06 3hox n ASP 568 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3hox s TYR 569 N -2.81 3.47 -0.40 2.11 5.04 -0.62 -4.94 117.35 119.20 3hox s TYR 569 Ca 0.40 0.93 0.03 0.00 -2.44 0.00 0.00 57.07 55.99 3hox s TYR 569 Cb 0.36 -2.34 0.16 0.00 0.35 0.00 0.00 41.96 40.49 3hox s TYR 569 CO -0.08 -0.02 0.37 0.14 -1.34 0.00 0.00 175.55 174.62 3hox s VAL 570 N -2.28 -0.09 0.31 3.14 -7.23 -1.26 -5.05 120.40 107.95 3hox s VAL 570 Ca 0.49 -1.70 0.12 0.00 -1.81 0.00 0.00 61.98 59.08 3hox s VAL 570 Cb -0.10 -0.88 0.34 0.00 0.56 0.00 0.00 36.38 36.30 3hox s VAL 570 CO 0.31 -0.82 1.43 -0.81 -0.31 0.00 0.00 175.10 174.89 3hox n PRO 571 N 3.57 -0.06 -0.01 4.82 -0.04 -1.26 -0.71 135.00 141.30 3hox n PRO 571 Ca 0.19 1.30 -0.20 0.00 -0.04 0.00 0.00 63.50 64.74 3hox n PRO 571 Cb 0.46 -2.22 -0.13 0.00 -0.04 0.00 0.00 33.50 31.56 3hox n PRO 571 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 3hox h HIS 572 N 0.00 0.33 -0.55 0.54 2.07 -1.93 -3.15 115.15 112.45 3hox h HIS 572 Ca 0.68 -0.24 0.16 0.00 -2.85 0.00 0.00 60.37 58.13 3hox h HIS 572 Cb 1.68 -0.01 -0.02 0.00 2.57 0.00 0.00 27.41 31.63 3hox h HIS 572 CO -0.19 1.42 0.42 0.37 -3.07 0.00 0.00 177.93 176.88 3hox h GLN 573 N -0.52 0.00 -3.52 5.12 4.15 -1.73 -3.13 115.11 115.47 3hox h GLN 573 Ca -0.24 0.00 -0.62 0.00 0.77 0.00 0.00 58.65 58.56 3hox h GLN 573 Cb 1.56 0.00 -0.40 0.00 0.21 0.00 0.00 27.48 28.85 3hox h GLN 573 CO 0.03 0.00 -0.72 -1.12 -1.93 0.00 0.00 178.83 175.09 3hox s SER 574 N -6.04 4.09 0.00 -0.69 0.01 0.11 -5.04 113.70 106.14 3hox s SER 574 Ca -0.05 -2.39 0.00 0.00 1.31 0.00 0.00 55.95 54.82 3hox s SER 574 Cb 0.19 -1.23 0.00 0.00 0.21 0.00 0.00 66.02 65.19 3hox s SER 574 CO 0.71 -0.32 0.73 -0.81 0.41 0.00 0.00 173.24 173.96 3hox n PRO 575 N 3.89 0.00 -1.17 12.44 -0.04 -1.18 -4.06 135.00 144.88 3hox n PRO 575 Ca 0.05 0.46 -0.28 0.00 -0.04 0.00 0.00 63.50 63.69 3hox n PRO 575 Cb 0.37 -1.34 0.08 0.00 -0.04 0.00 0.00 33.50 32.58 3hox n PRO 575 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3hox n ASP 576 N -1.87 6.58 -4.55 3.54 8.00 -1.26 -4.96 116.55 122.04 3hox n ASP 576 Ca 0.00 -3.53 -0.39 0.00 0.71 0.00 0.00 54.79 51.58 3hox n ASP 576 Cb 0.00 -0.96 -0.04 0.00 -0.02 0.00 0.00 41.12 40.10 3hox n ASP 576 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hox n ALA 577 N -0.61 1.01 -1.78 2.24 0.00 -1.26 -4.86 120.51 115.26 3hox n ALA 577 Ca 0.53 -0.64 -0.39 0.00 0.00 0.00 0.00 53.44 52.94 3hox n ALA 577 Cb 0.81 -3.01 -0.03 0.00 0.00 0.00 0.00 19.45 17.23 3hox n ALA 577 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hox s THR 578 N 10.61 3.18 -0.05 0.00 2.01 -1.21 -4.87 115.64 125.31 3hox s THR 578 Ca 1.03 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 62.86 3hox s THR 578 Cb -0.37 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 3hox s THR 578 CO 0.32 -0.35 1.36 0.00 -0.69 0.00 0.00 174.62 175.26 3hox s ARG 579 N 7.31 4.28 0.04 4.92 1.70 -1.22 -2.68 118.95 133.30 3hox s ARG 579 Ca 0.86 1.87 -0.28 0.00 -0.47 0.00 0.00 55.73 57.70 3hox s ARG 579 Cb -0.18 -3.64 -0.05 0.00 -0.57 0.00 0.00 34.95 30.51 3hox s ARG 579 CO 0.26 -0.59 0.91 0.08 -1.08 0.00 0.00 175.30 174.88 3hox s VAL 580 N 2.70 4.72 -0.07 4.99 1.01 -0.06 -1.60 120.40 132.08 3hox s VAL 580 Ca 0.61 1.93 0.03 0.00 0.00 0.00 0.00 61.98 64.55 3hox s VAL 580 Cb -0.28 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 31.85 3hox s VAL 580 CO 0.24 0.27 -0.16 -0.36 0.00 0.00 0.00 175.10 175.09 3hox s PHE 581 N 0.41 1.74 -0.06 5.22 2.99 0.48 -2.12 117.98 126.65 3hox s PHE 581 Ca 0.46 -0.65 -0.00 0.00 0.00 0.00 0.00 56.93 56.74 3hox s PHE 581 Cb -0.21 -1.23 0.02 0.00 0.00 0.00 0.00 43.02 41.60 3hox s PHE 581 CO 0.27 -0.30 -0.03 0.08 -0.00 0.00 0.00 175.22 175.25 3hox s VAL 582 N 0.51 0.48 -1.66 -0.44 1.01 -0.17 0.12 120.40 120.25 3hox s VAL 582 Ca -0.14 -0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.63 3hox s VAL 582 Cb -0.16 -0.56 0.16 0.00 0.00 0.00 0.00 36.38 35.82 3hox s VAL 582 CO 0.05 0.24 0.73 0.59 0.00 0.00 0.00 175.10 176.71 3hox n ASN 583 N 4.53 -3.15 -1.53 3.32 4.13 0.54 -1.11 115.26 122.01 3hox n ASN 583 Ca -0.17 -0.95 -0.08 0.00 1.68 0.00 0.00 54.58 55.05 3hox n ASN 583 Cb 0.50 -2.59 0.03 0.00 -1.54 0.00 0.00 39.78 36.18 3hox n ASN 583 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hox n GLY 584 N -1.30 0.44 2.97 7.41 0.00 -1.26 -4.99 105.19 108.45 3hox n GLY 584 Ca 0.08 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 3hox n GLY 584 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hox s VAL 585 N -3.08 0.02 -0.57 1.61 1.01 -0.26 -4.87 120.40 114.25 3hox s VAL 585 Ca 0.19 -0.14 -0.23 0.00 0.00 0.00 0.00 61.98 61.81 3hox s VAL 585 Cb -0.09 -0.16 0.05 0.00 0.00 0.00 0.00 36.38 36.19 3hox s VAL 585 CO 0.24 -0.08 0.89 0.86 0.00 0.00 0.00 175.10 177.01 3hox s TRP 586 N -0.21 2.81 -1.80 5.22 -0.00 -1.26 -1.00 118.94 122.70 3hox s TRP 586 Ca -0.03 -0.24 0.15 0.00 -0.00 0.00 0.00 56.10 55.98 3hox s TRP 586 Cb -0.02 -4.03 0.46 0.00 -0.00 0.00 0.00 33.47 29.88 3hox s TRP 586 CO 0.00 -1.37 1.37 0.72 -0.00 0.00 0.00 176.95 177.67 3hox n HIS 587 N 7.29 0.77 0.00 5.86 8.25 -0.90 -4.77 115.22 131.72 3hox n HIS 587 Ca -0.01 -0.36 0.00 0.00 -0.26 0.00 0.00 57.72 57.09 3hox n HIS 587 Cb 0.47 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.53 3hox n HIS 587 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hox n GLY 588 N 1.19 0.25 3.25 -1.41 0.00 -1.25 -3.27 105.19 103.94 3hox n GLY 588 Ca 0.17 -1.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.21 3hox n GLY 588 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hox s VAL 589 N 0.00 0.03 0.02 1.61 1.01 -0.35 -0.89 120.40 121.84 3hox s VAL 589 Ca 0.00 -1.85 0.02 0.00 0.00 0.00 0.00 61.98 60.15 3hox s VAL 589 Cb 0.00 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 3hox s VAL 589 CO 0.00 -0.14 -0.06 -2.28 0.00 0.00 0.00 175.10 172.62 3hox s HIS 590 N -4.10 0.52 0.00 5.22 5.04 -1.09 0.14 115.29 121.01 3hox s HIS 590 Ca 0.31 -0.35 0.00 0.00 -1.54 0.00 0.00 55.06 53.49 3hox s HIS 590 Cb 0.06 -0.32 0.00 0.00 0.04 0.00 0.00 32.58 32.36 3hox s HIS 590 CO 0.08 -0.07 0.00 0.54 -2.34 0.00 0.00 174.74 172.95 3hox n ARG 591 N 2.03 3.25 -1.14 2.88 5.12 -1.26 -3.35 116.66 124.19 3hox n ARG 591 Ca -0.19 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.46 3hox n ARG 591 Cb 0.56 0.00 -0.13 0.00 -1.16 0.00 0.00 32.46 31.73 3hox n ARG 591 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3hox n ASN 592 N 0.00 -0.16 0.03 0.55 2.85 -1.26 -4.73 115.26 112.54 3hox n ASN 592 Ca 0.00 -0.02 -0.19 0.00 -0.11 0.00 0.00 54.58 54.26 3hox n ASN 592 Cb 0.00 -0.62 -0.12 0.00 1.24 0.00 0.00 39.78 40.29 3hox n ASN 592 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3hox h PRO 593 N 8.93 0.51 -1.38 1.20 0.13 -1.96 -3.30 132.00 136.13 3hox h PRO 593 Ca -0.02 -0.60 0.43 0.00 -0.87 0.00 0.00 66.00 64.94 3hox h PRO 593 Cb 0.96 0.18 -0.09 0.00 0.13 0.00 0.00 31.00 32.18 3hox h PRO 593 CO 1.11 1.22 0.96 0.00 -0.23 0.00 0.00 178.00 181.06 3hox n ALA 594 N -2.63 1.35 0.03 -0.56 0.00 -1.26 0.73 120.51 118.16 3hox n ALA 594 Ca -0.11 0.61 -0.02 0.00 0.00 0.00 0.00 53.44 53.92 3hox n ALA 594 Cb 0.80 -0.90 -0.01 0.00 0.00 0.00 0.00 19.45 19.34 3hox n ALA 594 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hox h ARG 595 N 0.00 -0.13 -1.11 0.00 2.47 -1.95 -2.67 114.38 111.00 3hox h ARG 595 Ca 0.74 0.01 0.41 0.00 -1.26 0.00 0.00 59.98 59.88 3hox h ARG 595 Cb 2.72 0.03 -0.16 0.00 -1.65 0.00 0.00 29.97 30.91 3hox h ARG 595 CO -0.18 -0.08 0.65 1.25 0.56 0.00 0.00 179.97 182.16 3hox h LEU 596 N -0.47 0.33 0.26 3.04 5.85 0.20 -0.02 115.31 124.50 3hox h LEU 596 Ca -0.01 0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 3hox h LEU 596 Cb 0.10 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.34 3hox h LEU 596 CO 0.02 -0.31 -0.13 -0.03 -0.34 0.00 0.00 178.44 177.65 3hox h MET 597 N 0.08 -0.34 -1.18 1.25 4.05 -0.94 -2.16 114.93 115.69 3hox h MET 597 Ca 0.83 0.02 0.34 0.00 -0.28 0.00 0.00 59.70 60.61 3hox h MET 597 Cb 2.27 0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 33.10 3hox h MET 597 CO -0.64 -0.23 1.15 1.49 0.23 0.00 0.00 176.91 178.91 3hox h GLU 598 N -0.52 0.00 0.00 0.39 4.22 -0.70 0.39 114.58 118.36 3hox h GLU 598 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.40 3hox h GLU 598 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3hox h GLU 598 CO 0.06 0.00 0.00 2.41 -2.18 0.00 0.00 179.01 179.30 3hox n THR 599 N -3.52 0.00 -0.34 0.32 -1.04 -0.25 -3.16 114.28 106.28 3hox n THR 599 Ca 0.26 0.83 0.19 0.00 -2.04 0.00 0.00 64.05 63.29 3hox n THR 599 Cb 1.51 -1.79 0.41 0.00 -1.82 0.00 0.00 70.33 68.64 3hox n THR 599 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3hox h LEU 600 N 0.00 0.63 -0.59 -4.42 3.38 -0.36 0.12 115.31 114.07 3hox h LEU 600 Ca 0.00 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.14 3hox h LEU 600 Cb 0.00 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 3hox h LEU 600 CO 0.00 0.10 0.33 -0.09 0.09 0.00 0.00 178.44 178.87 3hox h ARG 601 N 0.54 0.62 -0.02 1.13 2.43 -0.43 -2.16 114.38 116.49 3hox h ARG 601 Ca 0.64 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.77 3hox h ARG 601 Cb 1.29 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3hox h ARG 601 CO -0.45 0.41 -0.02 0.25 -1.51 0.00 0.00 179.97 178.66 3hox n THR 602 N -4.80 0.00 0.10 0.20 -2.24 -0.34 -2.91 114.28 104.29 3hox n THR 602 Ca 0.06 -0.35 -0.16 0.00 -2.27 0.00 0.00 64.05 61.33 3hox n THR 602 Cb 0.13 0.91 -0.11 0.00 -2.10 0.00 0.00 70.33 69.16 3hox n THR 602 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3hox h LEU 603 N 3.28 0.51 0.08 3.22 7.12 -0.19 -3.12 115.31 126.21 3hox h LEU 603 Ca 0.00 -0.51 -0.16 0.00 0.13 0.00 0.00 57.88 57.34 3hox h LEU 603 Cb 0.71 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.68 3hox h LEU 603 CO 0.00 1.36 -0.79 -0.09 -0.13 0.00 0.00 178.44 178.79 3hox h ARG 604 N 0.13 0.17 0.00 1.25 2.43 -1.57 0.52 114.38 117.32 3hox h ARG 604 Ca -0.13 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 3hox h ARG 604 Cb 1.88 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.54 3hox h ARG 604 CO 0.20 1.14 0.00 0.54 -1.51 0.00 0.00 179.97 180.34 3hox n ARG 605 N -4.24 0.00 -0.06 0.20 1.74 -1.14 0.20 116.66 113.35 3hox n ARG 605 Ca -0.18 0.02 -0.09 0.00 -0.77 0.00 0.00 57.85 56.83 3hox n ARG 605 Cb 0.73 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.62 3hox n ARG 605 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3hox n LYS 606 N -0.96 0.26 0.00 5.56 4.81 -1.18 -1.74 118.16 124.92 3hox n LYS 606 Ca 0.00 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 3hox n LYS 606 Cb 0.00 -1.11 0.00 0.00 0.02 0.00 0.00 35.03 33.95 3hox n LYS 606 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hox n GLY 607 N 2.73 0.95 0.32 3.14 0.00 0.53 -4.77 105.19 108.08 3hox n GLY 607 Ca -0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.83 3hox n GLY 607 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hox h ASP 608 N 0.00 0.64 -3.82 1.61 3.32 -0.18 -3.38 116.42 114.60 3hox h ASP 608 Ca 0.00 -0.04 -0.68 0.00 0.02 0.00 0.00 57.03 56.33 3hox h ASP 608 Cb 0.00 -0.16 -0.28 0.00 0.22 0.00 0.00 39.33 39.11 3hox h ASP 608 CO 0.00 0.51 -0.82 0.27 -1.72 0.00 0.00 179.24 177.48 3hox s ILE 609 N -5.51 2.62 0.07 0.35 -4.36 -1.13 -4.97 121.20 108.27 3hox s ILE 609 Ca -0.09 -0.86 -0.37 0.00 -0.26 0.00 0.00 60.65 59.08 3hox s ILE 609 Cb 0.17 -2.02 -0.18 0.00 1.25 0.00 0.00 42.46 41.68 3hox s ILE 609 CO 0.76 0.56 1.11 -3.20 0.24 0.00 0.00 174.94 174.41 3hox n ASN 610 N 2.92 0.57 0.11 4.36 2.85 -1.26 -4.01 115.26 120.80 3hox n ASN 610 Ca -0.18 1.14 0.07 0.00 -0.11 0.00 0.00 54.58 55.51 3hox n ASN 610 Cb 0.52 -1.05 0.39 0.00 1.24 0.00 0.00 39.78 40.88 3hox n ASN 610 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3hox n PRO 611 N 1.78 0.09 -0.04 1.20 -0.02 -1.26 -2.44 135.00 134.31 3hox n PRO 611 Ca 0.18 0.58 -0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3hox n PRO 611 Cb 0.16 -1.80 -0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3hox n PRO 611 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3hox h GLU 612 N 0.00 -0.02 -6.43 -0.52 4.81 -1.88 -3.36 114.58 107.19 3hox h GLU 612 Ca 0.00 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.62 3hox h GLU 612 Cb 0.02 0.00 0.12 0.00 0.63 0.00 0.00 28.75 29.52 3hox h GLU 612 CO 0.00 -0.01 0.00 0.28 -0.73 0.00 0.00 179.01 178.55 3hox n VAL 613 N -4.52 2.02 -4.75 0.32 0.31 -1.02 -4.90 118.33 105.79 3hox n VAL 613 Ca -0.00 -0.50 -0.26 0.00 -0.01 0.00 0.00 64.34 63.57 3hox n VAL 613 Cb 0.01 -0.86 -0.15 0.00 -0.91 0.00 0.00 33.84 31.93 3hox n VAL 613 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3hox s SER 614 N -0.67 2.36 0.01 4.52 1.04 -0.50 -4.95 113.70 115.52 3hox s SER 614 Ca 0.60 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.58 3hox s SER 614 Cb -0.70 -0.22 -0.01 0.00 0.10 0.00 0.00 66.02 65.20 3hox s SER 614 CO 0.59 0.18 -0.02 -0.04 0.98 0.00 0.00 173.24 174.93 3hox s MET 615 N -0.90 0.20 -0.04 4.02 1.00 -1.26 0.14 119.30 122.46 3hox s MET 615 Ca 0.07 -0.28 0.01 0.00 0.00 0.00 0.00 55.69 55.49 3hox s MET 615 Cb -0.08 -0.04 0.02 0.00 0.00 0.00 0.00 34.83 34.72 3hox s MET 615 CO 0.01 0.00 -0.04 0.42 0.00 0.00 0.00 175.02 175.41 3hox s ILE 616 N -0.59 0.48 -0.48 2.53 1.09 0.31 -4.91 121.20 119.63 3hox s ILE 616 Ca -0.06 -0.12 -0.20 0.00 -1.10 0.00 0.00 60.65 59.18 3hox s ILE 616 Cb -0.04 -0.50 0.04 0.00 -1.06 0.00 0.00 42.46 40.90 3hox s ILE 616 CO -0.00 0.20 0.64 -0.60 -0.10 0.00 0.00 174.94 175.08 3hox s ARG 617 N 0.75 3.19 -0.96 2.79 3.52 -1.26 -1.60 118.95 125.37 3hox s ARG 617 Ca -0.10 -0.66 -0.17 0.00 -0.13 0.00 0.00 55.73 54.68 3hox s ARG 617 Cb -0.13 -4.03 0.15 0.00 -1.56 0.00 0.00 34.95 29.38 3hox s ARG 617 CO -0.00 -1.14 1.13 0.34 -0.81 0.00 0.00 175.30 174.82 3hox s ASP 618 N 2.40 6.72 0.00 -2.12 -1.08 -0.17 -4.92 116.67 117.50 3hox s ASP 618 Ca 0.19 -2.27 0.00 0.00 -0.52 0.00 0.00 52.55 49.94 3hox s ASP 618 Cb -0.17 -2.37 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 3hox s ASP 618 CO 0.15 -0.95 0.63 -0.38 0.52 0.00 0.00 175.17 175.14 3hox n ILE 619 N 5.16 0.00 -0.46 4.11 5.41 -1.26 0.13 119.36 132.45 3hox n ILE 619 Ca 0.25 1.13 0.38 0.00 1.00 0.00 0.00 62.75 65.51 3hox n ILE 619 Cb 0.48 -1.95 0.67 0.00 -0.71 0.00 0.00 39.64 38.13 3hox n ILE 619 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3hox h ARG 620 N 0.00 0.09 -0.02 0.38 3.08 -1.99 1.62 114.38 117.55 3hox h ARG 620 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3hox h ARG 620 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3hox h ARG 620 CO 0.00 0.06 -0.27 -1.91 -1.07 0.00 0.00 179.97 176.79 3hox n GLU 621 N -4.54 1.45 -3.58 0.04 4.07 -1.15 -5.02 120.64 111.91 3hox n GLU 621 Ca 0.36 -1.11 -0.27 0.00 -0.06 0.00 0.00 57.16 56.08 3hox n GLU 621 Cb 1.44 -1.48 0.01 0.00 -0.06 0.00 0.00 31.44 31.36 3hox n GLU 621 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3hox n LYS 622 N 0.19 -1.72 -3.73 5.31 5.02 0.55 -4.98 118.16 118.81 3hox n LYS 622 Ca 0.12 1.14 -0.13 0.00 -2.02 0.00 0.00 58.31 57.42 3hox n LYS 622 Cb 0.46 -2.69 -0.10 0.00 -0.02 0.00 0.00 35.03 32.69 3hox n LYS 622 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3hox s GLU 623 N -3.76 0.50 -0.29 1.97 2.02 -0.80 -3.45 118.70 114.89 3hox s GLU 623 Ca 0.15 0.59 -0.05 0.00 0.02 0.00 0.00 54.97 55.68 3hox s GLU 623 Cb -0.02 0.24 0.02 0.00 0.10 0.00 0.00 34.13 34.48 3hox s GLU 623 CO 0.87 -0.06 0.04 -1.17 0.02 0.00 0.00 175.26 174.96 3hox s LEU 624 N 0.21 3.76 -0.16 1.80 2.96 -0.63 -0.99 118.68 125.63 3hox s LEU 624 Ca -0.00 -0.88 -0.07 0.00 -0.22 0.00 0.00 54.13 52.96 3hox s LEU 624 Cb -0.03 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 3hox s LEU 624 CO 0.01 -0.20 0.08 -0.54 -1.32 0.00 0.00 176.35 174.37 3hox s LYS 625 N 1.41 3.77 -0.03 1.98 -0.14 -0.63 0.18 119.74 126.28 3hox s LYS 625 Ca 0.00 -0.29 0.02 0.00 -1.36 0.00 0.00 55.97 54.34 3hox s LYS 625 Cb -0.18 -3.18 0.01 0.00 -1.68 0.00 0.00 37.83 32.80 3hox s LYS 625 CO 0.00 0.43 -0.06 0.42 -0.76 0.00 0.00 175.35 175.39 3hox s ILE 626 N -0.08 0.62 -0.12 2.17 1.01 0.12 0.11 121.20 125.03 3hox s ILE 626 Ca 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.50 3hox s ILE 626 Cb -0.12 -0.59 0.03 0.00 0.01 0.00 0.00 42.46 41.79 3hox s ILE 626 CO 0.01 0.22 -0.07 -0.36 0.00 0.00 0.00 174.94 174.74 3hox s PHE 627 N 0.55 1.48 -0.18 3.97 0.40 0.37 0.20 117.98 124.78 3hox s PHE 627 Ca -0.08 -0.78 0.17 0.00 -0.60 0.00 0.00 56.93 55.64 3hox s PHE 627 Cb -0.11 -1.23 -0.25 0.00 0.51 0.00 0.00 43.02 41.94 3hox s PHE 627 CO 0.00 -0.53 0.16 -2.37 0.70 0.00 0.00 175.22 173.18 3hox n THR 628 N 4.94 1.41 0.00 0.64 5.66 -1.26 -1.41 114.28 124.27 3hox n THR 628 Ca -0.12 -0.85 0.00 0.00 -3.05 0.00 0.00 64.05 60.03 3hox n THR 628 Cb 0.50 -0.54 0.00 0.00 -1.55 0.00 0.00 70.33 68.74 3hox n THR 628 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3hox n ASP 629 N -2.79 0.00 -4.70 1.09 2.03 -1.26 -2.64 116.55 108.28 3hox n ASP 629 Ca -0.31 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.63 3hox n ASP 629 Cb 1.14 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 41.48 3hox n ASP 629 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hox s ALA 630 N 0.00 3.52 0.00 -1.67 0.00 -1.26 -4.19 121.76 118.15 3hox s ALA 630 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.63 3hox s ALA 630 Cb 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.48 3hox s ALA 630 CO 0.00 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.05 3hox n GLY 631 N 3.52 0.56 2.96 0.00 0.00 0.75 -4.81 105.19 108.18 3hox n GLY 631 Ca -0.08 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 3hox n GLY 631 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hox s ARG 632 N 0.31 1.84 0.09 1.61 0.52 -1.26 -2.03 118.95 120.02 3hox s ARG 632 Ca 0.00 -0.39 -0.30 0.00 -0.52 0.00 0.00 55.73 54.52 3hox s ARG 632 Cb 0.00 -1.76 -0.06 0.00 0.52 0.00 0.00 34.95 33.65 3hox s ARG 632 CO 0.00 -0.22 1.20 0.08 0.02 0.00 0.00 175.30 176.38 3hox s VAL 633 N 1.50 3.94 0.06 3.52 1.01 -1.26 -1.18 120.40 127.99 3hox s VAL 633 Ca 0.03 1.43 -0.06 0.00 0.00 0.00 0.00 61.98 63.38 3hox s VAL 633 Cb -0.13 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 3hox s VAL 633 CO -0.08 0.13 0.10 -0.72 0.00 0.00 0.00 175.10 174.54 3hox s TYR 634 N 0.85 0.26 0.48 5.22 -0.85 -0.66 -3.74 117.35 118.91 3hox s TYR 634 Ca 0.58 -0.68 0.03 0.00 -0.52 0.00 0.00 57.07 56.48 3hox s TYR 634 Cb -0.30 -0.17 -0.03 0.00 0.38 0.00 0.00 41.96 41.84 3hox s TYR 634 CO 0.30 -0.44 0.03 -0.98 -1.52 0.00 0.00 175.55 172.94 3hox s ARG 635 N -3.45 2.14 0.01 -3.49 1.70 -1.20 -1.43 118.95 113.23 3hox s ARG 635 Ca 0.02 -2.29 0.03 0.00 -0.47 0.00 0.00 55.73 53.03 3hox s ARG 635 Cb 0.04 -1.61 -0.03 0.00 -0.57 0.00 0.00 34.95 32.78 3hox s ARG 635 CO -0.09 -0.29 -0.07 -1.25 -1.08 0.00 0.00 175.30 172.53 3hox s PRO 636 N -3.86 2.53 0.09 3.89 0.04 -1.26 -1.81 135.00 134.63 3hox s PRO 636 Ca 0.16 -0.74 -0.02 0.00 0.04 0.00 0.00 61.00 60.44 3hox s PRO 636 Cb 0.04 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 3hox s PRO 636 CO 0.08 0.60 0.03 -0.51 0.04 0.00 0.00 177.00 177.24 3hox s LEU 637 N -1.46 2.05 0.34 -3.56 1.43 -0.17 -4.66 118.68 112.64 3hox s LEU 637 Ca 0.17 -1.07 -0.23 0.00 -1.03 0.00 0.00 54.13 51.98 3hox s LEU 637 Cb -0.11 0.33 -0.10 0.00 0.03 0.00 0.00 46.19 46.34 3hox s LEU 637 CO 0.08 -0.68 0.89 -0.36 0.23 0.00 0.00 176.35 176.51 3hox s PHE 638 N -3.98 3.56 -0.14 0.29 2.99 -0.62 -0.94 117.98 119.14 3hox s PHE 638 Ca 0.15 1.63 -0.06 0.00 0.00 0.00 0.00 56.93 58.64 3hox s PHE 638 Cb 0.07 -2.82 -0.04 0.00 0.00 0.00 0.00 43.02 40.23 3hox s PHE 638 CO -0.04 0.14 0.08 0.42 -0.00 0.00 0.00 175.22 175.81 3hox s ILE 639 N -1.78 4.99 -1.29 0.64 1.01 -0.98 -0.96 121.20 122.83 3hox s ILE 639 Ca 0.52 0.02 0.11 0.00 0.00 0.00 0.00 60.65 61.31 3hox s ILE 639 Cb -0.15 -3.20 0.11 0.00 0.01 0.00 0.00 42.46 39.23 3hox s ILE 639 CO 0.20 0.54 0.88 0.52 0.00 0.00 0.00 174.94 177.08 3hox n VAL 640 N 2.72 0.10 0.00 2.92 0.31 0.82 -0.70 118.33 124.49 3hox n VAL 640 Ca -0.18 -0.55 0.00 0.00 -0.01 0.00 0.00 64.34 63.60 3hox n VAL 640 Cb 0.53 1.15 0.00 0.00 -0.91 0.00 0.00 33.84 34.61 3hox n VAL 640 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hox n GLU 641 N 0.59 0.00 0.00 5.55 -0.58 -1.25 -0.89 120.64 124.05 3hox n GLU 641 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 3hox n GLU 641 Cb 0.28 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.15 3hox n GLU 641 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3hox n ASP 642 N 0.00 0.14 0.00 1.62 5.75 -1.26 -3.30 116.55 119.50 3hox n ASP 642 Ca 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 54.79 54.66 3hox n ASP 642 Cb 0.00 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 3hox n ASP 642 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3hox n ASP 643 N 0.78 0.00 -4.52 -1.12 8.00 -1.26 -4.48 116.55 113.95 3hox n ASP 643 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 3hox n ASP 643 Cb 0.02 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 3hox n ASP 643 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hox s GLU 644 N -1.42 3.56 0.00 -1.24 0.41 -1.20 -4.74 118.70 114.07 3hox s GLU 644 Ca 0.00 -1.32 0.00 0.00 -0.41 0.00 0.00 54.97 53.24 3hox s GLU 644 Cb 0.00 -5.11 0.00 0.00 -1.78 0.00 0.00 34.13 27.24 3hox s GLU 644 CO 0.00 -2.03 0.80 -1.13 -0.49 0.00 0.00 175.26 172.41 3hox n SER 645 N 7.99 0.12 -2.72 -0.19 3.41 -1.26 -2.32 113.62 118.64 3hox n SER 645 Ca 0.27 -1.72 -0.04 0.00 -0.26 0.00 0.00 58.87 57.13 3hox n SER 645 Cb 0.50 -0.06 0.04 0.00 -0.26 0.00 0.00 64.21 64.43 3hox n SER 645 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hox n LEU 646 N -0.42 1.98 0.00 1.04 4.77 -1.26 -5.09 117.00 118.02 3hox n LEU 646 Ca 0.00 -3.32 0.00 0.00 -0.03 0.00 0.00 56.01 52.66 3hox n LEU 646 Cb 0.03 0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3hox n LEU 646 CO 0.00 1.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.89 3hox n GLY 647 N -0.56 0.13 0.00 -0.72 0.00 -0.98 -5.13 105.19 97.92 3hox n GLY 647 Ca 0.12 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3hox n GLY 647 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3hox n HIS 648 N 2.69 0.00 -3.09 1.61 1.44 -1.26 -4.75 115.22 111.86 3hox n HIS 648 Ca 0.00 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.32 3hox n HIS 648 Cb 0.00 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.05 3hox n HIS 648 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 3hox s LYS 649 N 2.61 4.43 0.00 -1.40 2.20 -1.26 -3.22 119.74 123.11 3hox s LYS 649 Ca 0.00 1.00 -0.22 0.00 -0.36 0.00 0.00 55.97 56.39 3hox s LYS 649 Cb 0.00 -3.26 0.05 0.00 -1.51 0.00 0.00 37.83 33.11 3hox s LYS 649 CO 0.00 0.58 0.49 -2.00 -0.36 0.00 0.00 175.35 174.05 3hox s GLU 650 N -1.06 0.92 0.14 4.03 2.56 -0.07 -4.87 118.70 120.34 3hox s GLU 650 Ca 0.33 -0.11 -0.35 0.00 0.00 0.00 0.00 54.97 54.85 3hox s GLU 650 Cb -0.22 0.42 -0.15 0.00 2.00 0.00 0.00 34.13 36.18 3hox s GLU 650 CO 0.23 -0.30 1.46 1.28 -0.56 0.00 0.00 175.26 177.38 3hox n LEU 651 N 0.81 2.48 0.00 2.70 4.77 -1.26 -4.04 117.00 122.46 3hox n LEU 651 Ca -0.19 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.89 3hox n LEU 651 Cb 0.58 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 3hox n LEU 651 CO 0.22 -0.63 0.47 0.29 -1.33 0.00 0.00 177.39 176.41 3hox n LYS 652 N 2.95 0.00 -1.58 3.23 4.76 0.12 -4.63 118.16 123.01 3hox n LYS 652 Ca 0.17 0.61 -0.43 0.00 -2.87 0.00 0.00 58.31 55.79 3hox n LYS 652 Cb 0.25 -1.45 -0.00 0.00 -1.84 0.00 0.00 35.03 31.99 3hox n LYS 652 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3hox n VAL 653 N -2.15 2.16 -4.12 -0.18 0.31 -1.26 -5.01 118.33 108.07 3hox n VAL 653 Ca 0.00 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.74 3hox n VAL 653 Cb 0.00 -1.01 -0.10 0.00 -0.91 0.00 0.00 33.84 31.82 3hox n VAL 653 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3hox s ARG 654 N -1.76 0.83 0.51 5.55 1.81 -1.26 -4.81 118.95 119.82 3hox s ARG 654 Ca 0.61 -1.36 0.19 0.00 -1.72 0.00 0.00 55.73 53.45 3hox s ARG 654 Cb -0.63 0.23 0.66 0.00 -0.45 0.00 0.00 34.95 34.77 3hox s ARG 654 CO 0.58 -0.21 1.05 1.17 -0.68 0.00 0.00 175.30 177.21 3hox n LYS 655 N -0.03 0.01 0.17 3.54 3.00 -0.62 0.12 118.16 124.35 3hox n LYS 655 Ca -0.08 0.85 -0.08 0.00 -0.00 0.00 0.00 58.31 58.99 3hox n LYS 655 Cb 0.63 -2.13 -0.04 0.00 0.00 0.00 0.00 35.03 33.49 3hox n LYS 655 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 3hox h GLY 656 N 0.00 -0.52 -0.89 3.14 0.00 -1.80 -2.20 103.07 100.79 3hox h GLY 656 Ca 0.36 0.19 0.15 0.00 0.00 0.00 0.00 47.33 48.03 3hox h GLY 656 CO -0.00 -0.19 -0.38 0.45 0.00 0.00 0.00 176.54 176.42 3hox h HIS 657 N -1.13 -1.06 -0.10 5.60 3.86 0.67 0.20 115.15 123.20 3hox h HIS 657 Ca -0.05 0.10 0.04 0.00 -1.16 0.00 0.00 60.37 59.30 3hox h HIS 657 Cb 0.40 0.60 -0.06 0.00 1.06 0.00 0.00 27.41 29.41 3hox h HIS 657 CO 0.00 -0.40 -0.32 0.82 0.86 0.00 0.00 177.93 178.89 3hox h ILE 658 N -0.03 0.29 0.00 2.45 2.04 -1.57 -1.43 117.51 119.26 3hox h ILE 658 Ca 0.33 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.16 3hox h ILE 658 Cb 0.59 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3hox h ILE 658 CO -0.94 0.00 -0.15 0.00 0.00 0.00 0.00 178.15 177.06 3hox h ALA 659 N 0.38 1.34 0.00 1.87 0.00 -0.40 -1.64 119.26 120.81 3hox h ALA 659 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hox h ALA 659 Cb 0.55 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3hox h ALA 659 CO -0.33 0.19 0.00 1.17 0.00 0.00 0.00 179.25 180.28 3hox n LYS 660 N -3.76 0.21 -0.07 0.00 4.81 0.54 -2.13 118.16 117.74 3hox n LYS 660 Ca -0.02 0.20 -0.05 0.00 -0.87 0.00 0.00 58.31 57.57 3hox n LYS 660 Cb 0.26 -1.76 -0.02 0.00 0.02 0.00 0.00 35.03 33.53 3hox n LYS 660 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 3hox h LEU 661 N 0.00 0.00 -1.50 3.14 3.38 -0.47 -3.33 115.31 116.53 3hox h LEU 661 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3hox h LEU 661 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3hox h LEU 661 CO 0.00 0.78 0.33 0.24 0.09 0.00 0.00 178.44 179.88 3hox h MET 662 N -1.00 0.00 0.73 1.13 2.86 -1.40 0.44 114.93 117.69 3hox h MET 662 Ca -0.02 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 3hox h MET 662 Cb 0.51 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.18 3hox h MET 662 CO -0.01 0.00 -0.35 0.00 1.06 0.00 0.00 176.91 177.61 3hox h ALA 663 N 1.26 -1.11 0.00 6.32 0.00 -1.55 -0.49 119.26 123.70 3hox h ALA 663 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3hox h ALA 663 Cb 0.66 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3hox h ALA 663 CO 0.00 -1.03 -0.06 1.15 0.00 0.00 0.00 179.25 179.30 3hox h THR 664 N -1.11 0.18 0.26 0.00 2.02 -0.34 -2.55 112.91 111.37 3hox h THR 664 Ca -0.10 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 3hox h THR 664 Cb 0.75 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 3hox h THR 664 CO 0.16 0.06 -0.12 -0.33 0.37 0.00 0.00 175.52 175.66 3hox h GLU 665 N 0.00 -0.34 -0.78 6.66 5.08 -0.89 -2.67 114.58 121.64 3hox h GLU 665 Ca -0.00 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.54 3hox h GLU 665 Cb 0.50 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 3hox h GLU 665 CO 0.01 -0.07 0.52 -0.92 -1.00 0.00 0.00 179.01 177.55 3hox h TYR 666 N -0.58 0.48 0.00 4.33 3.20 -0.68 -2.97 116.97 120.74 3hox h TYR 666 Ca -0.04 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.77 3hox h TYR 666 Cb 0.42 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 3hox h TYR 666 CO 0.00 0.17 -0.08 1.04 -1.64 0.00 0.00 178.16 177.65 3hox n GLN 667 N -4.48 1.13 0.00 1.82 6.02 -1.01 -5.11 117.38 115.75 3hox n GLN 667 Ca 0.15 -0.43 0.00 0.00 -0.01 0.00 0.00 57.00 56.71 3hox n GLN 667 Cb 0.58 -1.58 0.00 0.00 1.02 0.00 0.00 30.24 30.26 3hox n GLN 667 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3hox n ASP 668 N 2.26 0.00 0.00 1.08 8.00 -1.13 -5.03 116.55 121.74 3hox n ASP 668 Ca 0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.68 3hox n ASP 668 Cb 0.53 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 3hox n ASP 668 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3hox n GLU 678 N -1.70 0.00 -3.04 -1.24 0.28 -1.26 -5.17 120.64 108.51 3hox n GLU 678 Ca 0.00 0.00 -0.45 0.00 -0.16 0.00 0.00 57.16 56.55 3hox n GLU 678 Cb 0.00 -0.23 -0.02 0.00 1.43 0.00 0.00 31.44 32.62 3hox n GLU 678 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3hox s TYR 679 N -1.00 3.32 0.00 -1.84 5.04 -1.26 -4.96 117.35 116.65 3hox s TYR 679 Ca 0.00 -1.59 0.00 0.00 -2.44 0.00 0.00 57.07 53.04 3hox s TYR 679 Cb 0.00 -4.16 0.00 0.00 0.35 0.00 0.00 41.96 38.15 3hox s TYR 679 CO 0.00 -1.35 0.00 0.25 -1.34 0.00 0.00 175.55 173.11 3hox n THR 680 N 5.03 0.00 0.00 4.34 -2.24 -1.26 -4.66 114.28 115.50 3hox n THR 680 Ca 0.22 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.93 3hox n THR 680 Cb 0.48 -1.49 -0.05 0.00 -2.10 0.00 0.00 70.33 67.18 3hox n THR 680 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3hox h TRP 681 N -0.06 -0.12 -0.85 4.78 2.91 -1.93 -3.20 115.95 117.48 3hox h TRP 681 Ca 0.00 -0.00 0.34 0.00 1.13 0.00 0.00 58.89 60.35 3hox h TRP 681 Cb 0.00 0.04 -0.15 0.00 -0.51 0.00 0.00 29.16 28.53 3hox h TRP 681 CO 0.00 0.21 0.38 0.43 -1.03 0.00 0.00 178.44 178.43 3hox n SER 682 N -4.83 0.23 0.30 2.65 7.64 -1.26 0.86 113.62 119.21 3hox n SER 682 Ca -0.05 1.42 -0.16 0.00 1.01 0.00 0.00 58.87 61.10 3hox n SER 682 Cb 0.19 -0.66 -0.08 0.00 -1.01 0.00 0.00 64.21 62.64 3hox n SER 682 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3hox h SER 683 N 0.00 -0.65 -1.46 6.43 4.64 -1.93 -0.58 113.55 120.00 3hox h SER 683 Ca 0.69 -0.03 0.43 0.00 -0.47 0.00 0.00 61.79 62.41 3hox h SER 683 Cb 1.77 0.17 -0.09 0.00 -0.31 0.00 0.00 62.40 63.94 3hox h SER 683 CO -0.68 -0.35 1.01 -0.07 -0.87 0.00 0.00 176.83 175.87 3hox h LEU 684 N -0.96 0.12 0.00 5.97 3.38 0.48 -0.00 115.31 124.29 3hox h LEU 684 Ca -0.08 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hox h LEU 684 Cb 0.65 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3hox h LEU 684 CO 0.13 -0.04 0.00 -0.11 0.09 0.00 0.00 178.44 178.51 3hox n LEU 685 N -4.30 0.11 -0.33 1.67 7.94 -0.75 -2.14 117.00 119.20 3hox n LEU 685 Ca 0.35 0.58 0.19 0.00 -1.11 0.00 0.00 56.01 56.02 3hox n LEU 685 Cb 1.50 -0.48 0.40 0.00 0.53 0.00 0.00 43.42 45.37 3hox n LEU 685 CO 0.35 -0.48 1.10 0.78 -1.11 0.00 0.00 177.39 178.03 3hox h ASN 686 N 0.00 0.49 0.00 1.96 2.35 -0.57 0.36 115.58 120.17 3hox h ASN 686 Ca 0.00 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3hox h ASN 686 Cb 0.00 0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.48 3hox h ASN 686 CO 0.00 -0.03 0.00 -0.62 -1.65 0.00 0.00 177.43 175.13 3hox n GLU 687 N -5.01 0.62 -3.57 0.81 1.02 -0.06 -4.10 120.64 110.34 3hox n GLU 687 Ca 0.27 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.23 3hox n GLU 687 Cb 0.81 -1.20 -0.03 0.00 -0.02 0.00 0.00 31.44 31.00 3hox n GLU 687 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hox n GLY 688 N 0.65 -0.17 0.05 0.62 0.00 0.13 -4.79 105.19 101.68 3hox n GLY 688 Ca 0.00 0.11 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 3hox n GLY 688 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hox n LEU 689 N -2.86 0.81 -4.06 0.99 4.77 -0.91 -4.96 117.00 110.78 3hox n LEU 689 Ca -0.13 -0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.68 3hox n LEU 689 Cb 0.33 0.06 -0.12 0.00 -2.33 0.00 0.00 43.42 41.35 3hox n LEU 689 CO 0.41 0.37 -0.42 -0.69 -1.33 0.00 0.00 177.39 175.73 3hox s VAL 690 N -2.24 0.65 0.00 4.08 1.01 -1.02 -2.32 120.40 120.57 3hox s VAL 690 Ca -0.08 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 60.88 3hox s VAL 690 Cb 0.03 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.76 3hox s VAL 690 CO 0.37 -0.22 0.16 -0.70 0.00 0.00 0.00 175.10 174.71 3hox s GLU 691 N -1.27 0.52 -0.60 2.72 2.12 -0.11 -4.44 118.70 117.64 3hox s GLU 691 Ca -0.05 -0.38 -0.25 0.00 0.36 0.00 0.00 54.97 54.65 3hox s GLU 691 Cb -0.08 0.22 0.04 0.00 0.26 0.00 0.00 34.13 34.57 3hox s GLU 691 CO 0.01 -0.13 1.02 0.71 -0.54 0.00 0.00 175.26 176.33 3hox s TYR 692 N -1.42 2.68 -0.33 5.30 4.12 -1.26 -1.00 117.35 125.44 3hox s TYR 692 Ca -0.14 -0.08 -0.10 0.00 0.02 0.00 0.00 57.07 56.77 3hox s TYR 692 Cb -0.07 -4.25 0.01 0.00 -1.52 0.00 0.00 41.96 36.13 3hox s TYR 692 CO 0.02 -1.53 0.17 0.96 0.02 0.00 0.00 175.55 175.18 3hox s ILE 693 N 4.32 4.56 0.00 2.71 -4.36 -0.75 -4.84 121.20 122.84 3hox s ILE 693 Ca 0.31 -0.59 0.00 0.00 -0.26 0.00 0.00 60.65 60.10 3hox s ILE 693 Cb -0.12 -3.41 0.00 0.00 1.25 0.00 0.00 42.46 40.18 3hox s ILE 693 CO 0.18 -0.04 0.00 -0.90 0.24 0.00 0.00 174.94 174.41 3hox n ASP 694 N 4.98 -0.40 0.20 4.36 5.75 -1.26 -3.24 116.55 126.94 3hox n ASP 694 Ca -0.13 -0.42 -0.09 0.00 -0.01 0.00 0.00 54.79 54.14 3hox n ASP 694 Cb 0.48 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.53 3hox n ASP 694 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hox h ALA 695 N -2.00 -0.62 -0.30 2.12 0.00 -1.92 -1.76 119.26 114.78 3hox h ALA 695 Ca 0.00 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.85 3hox h ALA 695 Cb 0.00 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 3hox h ALA 695 CO 0.00 -0.58 -0.39 1.49 0.00 0.00 0.00 179.25 179.77 3hox h GLU 696 N -1.04 -0.35 -0.30 0.00 4.57 -1.93 -0.14 114.58 115.39 3hox h GLU 696 Ca -0.06 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 3hox h GLU 696 Cb 0.44 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 3hox h GLU 696 CO 0.10 -0.23 0.05 1.49 -1.18 0.00 0.00 179.01 179.23 3hox h GLU 697 N -0.36 0.44 -1.02 1.92 4.81 -1.91 -1.29 114.58 117.17 3hox h GLU 697 Ca 0.12 -0.07 0.27 0.00 -0.13 0.00 0.00 59.36 59.55 3hox h GLU 697 Cb 0.58 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.82 3hox h GLU 697 CO -0.49 0.43 0.69 1.49 -0.73 0.00 0.00 179.01 180.40 3hox h GLU 698 N 0.43 0.22 -0.63 1.92 4.81 -0.08 -1.57 114.58 119.68 3hox h GLU 698 Ca 0.10 -0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.44 3hox h GLU 698 Cb 0.21 -0.05 -0.12 0.00 0.63 0.00 0.00 28.75 29.42 3hox h GLU 698 CO 0.00 0.15 -0.16 0.93 -0.73 0.00 0.00 179.01 179.20 3hox h GLU 699 N 0.23 -0.00 -2.30 1.92 4.39 -1.00 -3.02 114.58 114.79 3hox h GLU 699 Ca 0.53 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 59.56 3hox h GLU 699 Cb 1.65 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 30.13 3hox h GLU 699 CO -0.15 -0.00 1.43 -1.13 -1.16 0.00 0.00 179.01 178.00 3hox n SER 700 N -5.43 7.39 -3.84 1.42 3.41 -0.59 -4.93 113.62 111.05 3hox n SER 700 Ca 0.07 -3.30 -0.08 0.00 -0.26 0.00 0.00 58.87 55.30 3hox n SER 700 Cb 0.33 -1.26 -0.03 0.00 -0.26 0.00 0.00 64.21 62.98 3hox n SER 700 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3hox s ILE 701 N -2.33 0.00 0.03 -1.33 -4.36 -1.14 -5.02 121.20 107.04 3hox s ILE 701 Ca 0.53 -1.18 0.05 0.00 -0.26 0.00 0.00 60.65 59.80 3hox s ILE 701 Cb 0.27 -2.16 -0.02 0.00 1.25 0.00 0.00 42.46 41.81 3hox s ILE 701 CO -0.17 0.00 -0.16 -0.22 0.24 0.00 0.00 174.94 174.63 3hox s LEU 702 N -2.98 2.13 0.12 0.37 2.96 -1.26 -5.02 118.68 115.00 3hox s LEU 702 Ca 0.16 -0.41 0.07 0.00 -0.22 0.00 0.00 54.13 53.73 3hox s LEU 702 Cb -0.04 -0.73 -0.04 0.00 0.50 0.00 0.00 46.19 45.89 3hox s LEU 702 CO 0.08 0.10 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.43 3hox s ILE 703 N -0.69 1.45 -0.10 6.68 1.01 -1.26 -1.71 121.20 126.58 3hox s ILE 703 Ca 0.04 -1.68 0.02 0.00 0.00 0.00 0.00 60.65 59.03 3hox s ILE 703 Cb -0.07 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.85 3hox s ILE 703 CO 0.01 -0.32 -0.17 0.00 0.00 0.00 0.00 174.94 174.46 3hox s ALA 704 N -1.87 2.49 0.00 9.38 0.00 -0.33 -4.96 121.76 126.47 3hox s ALA 704 Ca 0.08 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.11 3hox s ALA 704 Cb -0.06 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 22.02 3hox s ALA 704 CO 0.04 0.33 0.45 -0.12 0.00 0.00 0.00 175.76 176.45 3hox n MET 705 N 3.23 0.00 -2.63 0.00 1.56 -1.26 0.56 117.12 118.58 3hox n MET 705 Ca -0.18 0.29 -0.41 0.00 -0.27 0.00 0.00 57.70 57.13 3hox n MET 705 Cb 0.53 -1.07 -0.04 0.00 2.15 0.00 0.00 33.22 34.79 3hox n MET 705 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 3hox s GLN 706 N -1.47 4.60 0.01 2.12 -0.21 -1.26 -3.84 119.66 119.61 3hox s GLN 706 Ca 0.00 1.55 -0.06 0.00 0.02 0.00 0.00 55.36 56.86 3hox s GLN 706 Cb 0.00 -3.37 -0.03 0.00 1.00 0.00 0.00 33.01 30.60 3hox s GLN 706 CO 0.00 0.05 1.02 -1.00 -2.12 0.00 0.00 175.29 173.24 3hox h PRO 707 N 5.95 -0.22 0.00 2.91 0.13 -1.84 -3.26 132.00 135.67 3hox h PRO 707 Ca -0.43 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3hox h PRO 707 Cb 1.21 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3hox h PRO 707 CO 0.74 -0.14 0.00 -0.85 -0.23 0.00 0.00 178.00 177.52 3hox n GLU 708 N -2.64 0.00 0.00 0.86 0.28 -1.26 -3.81 120.64 114.07 3hox n GLU 708 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 3hox n GLU 708 Cb 0.09 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.96 3hox n GLU 708 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3hox n ASP 709 N 0.00 0.00 -1.89 -1.84 8.00 -1.26 -1.19 116.55 118.37 3hox n ASP 709 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.42 3hox n ASP 709 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 3hox n ASP 709 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3hox n LEU 710 N 0.00 4.79 0.04 0.64 4.77 -1.23 -4.34 117.00 121.67 3hox n LEU 710 Ca 0.00 -2.71 0.00 0.00 -0.03 0.00 0.00 56.01 53.27 3hox n LEU 710 Cb 0.00 -1.21 0.00 0.00 -2.33 0.00 0.00 43.42 39.88 3hox n LEU 710 CO 0.00 1.32 0.00 -0.62 -1.33 0.00 0.00 177.39 176.76 3hox n GLU 711 N 2.24 0.00 -0.88 3.23 -0.58 -0.33 -4.81 120.64 119.51 3hox n GLU 711 Ca 0.27 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.68 3hox n GLU 711 Cb 0.72 0.00 0.12 0.00 -0.57 0.00 0.00 31.44 31.72 3hox n GLU 711 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3hox n PRO 712 N -2.67 -0.17 -1.06 3.49 -0.04 -1.26 -4.98 135.00 128.30 3hox n PRO 712 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 3hox n PRO 712 Cb 0.00 -2.05 0.21 0.00 -0.04 0.00 0.00 33.50 31.62 3hox n PRO 712 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hox s ALA 713 N -2.34 0.62 -0.41 0.55 0.00 -1.26 -5.03 121.76 113.89 3hox s ALA 713 Ca 0.63 -0.54 -0.08 0.00 0.00 0.00 0.00 51.96 51.97 3hox s ALA 713 Cb -0.25 -3.05 0.08 0.00 0.00 0.00 0.00 23.12 19.90 3hox s ALA 713 CO 0.62 -3.23 0.24 -1.21 0.00 0.00 0.00 175.76 172.17 3hox s GLU 714 N -5.04 2.56 -0.20 0.00 0.41 -1.26 -5.20 118.70 109.97 3hox s GLU 714 Ca 0.67 -1.46 -0.07 0.00 -0.41 0.00 0.00 54.97 53.70 3hox s GLU 714 Cb -0.17 -3.73 -0.09 0.00 -1.78 0.00 0.00 34.13 28.36 3hox s GLU 714 CO 0.58 -0.94 -0.23 0.00 -0.49 0.00 0.00 175.26 174.18 3hox n ALA 715 N 4.88 1.69 -3.00 5.21 0.00 -1.26 -5.33 120.51 122.70 3hox n ALA 715 Ca -0.10 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.55 3hox n ALA 715 Cb 0.43 0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.08 3hox n ALA 715 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hox n ASP 722 N -3.69 0.00 -4.56 0.00 8.00 -1.26 -5.38 116.55 109.66 3hox n ASP 722 Ca -0.38 0.00 -0.56 0.00 0.71 0.00 0.00 54.79 54.57 3hox n ASP 722 Cb 0.79 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.82 3hox n ASP 722 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3hox n VAL 723 N 0.00 0.01 -1.68 2.53 0.31 -1.26 -4.82 118.33 113.42 3hox n VAL 723 Ca 0.00 -0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.89 3hox n VAL 723 Cb 0.00 -0.48 -0.04 0.00 -0.91 0.00 0.00 33.84 32.42 3hox n VAL 723 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3hox n ASP 724 N 2.22 3.82 0.18 4.52 -0.08 -1.26 -4.91 116.55 121.03 3hox n ASP 724 Ca 0.20 0.99 0.06 0.00 -1.51 0.00 0.00 54.79 54.53 3hox n ASP 724 Cb 0.14 -1.49 0.23 0.00 2.34 0.00 0.00 41.12 42.33 3hox n ASP 724 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3hox h PRO 725 N 8.54 0.00 0.16 -0.67 0.13 -1.95 -3.30 132.00 134.91 3hox h PRO 725 Ca -0.47 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.37 3hox h PRO 725 Cb 1.24 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.39 3hox h PRO 725 CO 0.94 0.36 -1.30 0.00 -0.23 0.00 0.00 178.00 177.77 3hox h ALA 726 N 1.64 0.02 -2.16 -0.56 0.00 -2.01 -3.46 119.26 112.74 3hox h ALA 726 Ca -0.00 -0.86 -0.43 0.00 0.00 0.00 0.00 54.91 53.62 3hox h ALA 726 Cb 1.06 0.07 0.21 0.00 0.00 0.00 0.00 17.79 19.13 3hox h ALA 726 CO 0.05 0.85 0.01 0.15 0.00 0.00 0.00 179.25 180.31 3hox s LYS 727 N -2.71 -0.99 0.00 0.00 1.02 -1.25 -4.91 119.74 110.90 3hox s LYS 727 Ca -0.06 0.76 0.00 0.00 0.02 0.00 0.00 55.97 56.69 3hox s LYS 727 Cb 0.06 -1.55 0.00 0.00 -0.52 0.00 0.00 37.83 35.82 3hox s LYS 727 CO 0.91 -3.75 0.00 2.89 -0.92 0.00 0.00 175.35 174.48 3hox n ARG 728 N -4.92 0.00 -3.15 1.68 1.85 -1.26 -5.03 116.66 105.82 3hox n ARG 728 Ca 0.03 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 56.93 3hox n ARG 728 Cb 0.55 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.95 3hox n ARG 728 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3hox s ILE 729 N 0.00 -0.46 0.27 8.89 1.01 -1.26 -5.00 121.20 124.64 3hox s ILE 729 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 60.65 60.70 3hox s ILE 729 Cb 0.00 -0.77 -0.02 0.00 0.01 0.00 0.00 42.46 41.67 3hox s ILE 729 CO 0.00 0.00 0.40 -0.13 0.00 0.00 0.00 174.94 175.21 3hox s ARG 730 N 2.93 3.36 0.00 2.79 0.52 -1.26 -5.12 118.95 122.17 3hox s ARG 730 Ca 0.12 -0.81 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 3hox s ARG 730 Cb -0.08 -2.86 0.00 0.00 0.52 0.00 0.00 34.95 32.53 3hox s ARG 730 CO -0.18 0.32 0.00 0.28 0.02 0.00 0.00 175.30 175.75 3hox n VAL 731 N -1.49 0.00 -3.62 3.52 0.31 -1.26 -5.12 118.33 110.68 3hox n VAL 731 Ca -0.07 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.20 3hox n VAL 731 Cb 0.57 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.52 3hox n VAL 731 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3hox n SER 732 N 0.00 -1.75 -1.79 4.52 7.64 -1.26 -5.04 113.62 115.94 3hox n SER 732 Ca 0.00 -2.19 -0.12 0.00 1.01 0.00 0.00 58.87 57.56 3hox n SER 732 Cb 0.00 2.91 0.03 0.00 -1.01 0.00 0.00 64.21 66.13 3hox n SER 732 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hox n HIS 733 N -0.42 1.11 -1.61 1.43 1.44 -1.26 -4.90 115.22 111.01 3hox n HIS 733 Ca -0.07 -1.70 -0.15 0.00 -2.01 0.00 0.00 57.72 53.80 3hox n HIS 733 Cb 0.46 -0.84 -0.09 0.00 0.12 0.00 0.00 29.99 29.63 3hox n HIS 733 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 3hox s HIS 734 N -1.31 1.20 0.00 -1.40 3.76 -1.26 -4.65 115.29 111.63 3hox s HIS 734 Ca 0.23 2.13 0.00 0.00 -0.15 0.00 0.00 55.06 57.27 3hox s HIS 734 Cb 0.18 -3.39 0.00 0.00 1.11 0.00 0.00 32.58 30.48 3hox s HIS 734 CO -0.01 -1.09 0.00 0.00 -0.85 0.00 0.00 174.74 172.80 3hox n ALA 735 N 19.12 0.00 -1.18 -1.40 0.00 -1.26 -5.01 120.51 130.78 3hox n ALA 735 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3hox n ALA 735 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 3hox n ALA 735 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3hox n THR 736 N -1.28 0.00 0.93 0.00 -1.04 -1.26 -4.80 114.28 106.84 3hox n THR 736 Ca 0.00 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.12 3hox n THR 736 Cb 0.00 1.27 0.54 0.00 -1.82 0.00 0.00 70.33 70.32 3hox n THR 736 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3hox n THR 737 N 0.00 0.35 -1.50 12.58 -2.24 -1.26 -4.85 114.28 117.35 3hox n THR 737 Ca 0.00 0.09 -0.40 0.00 -2.27 0.00 0.00 64.05 61.47 3hox n THR 737 Cb 0.36 -0.69 -0.15 0.00 -2.10 0.00 0.00 70.33 67.75 3hox n THR 737 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3hox n PHE 738 N -1.41 0.55 0.04 4.78 3.01 -1.26 -4.69 117.46 118.48 3hox n PHE 738 Ca 0.08 0.35 -0.03 0.00 1.01 0.00 0.00 57.45 58.87 3hox n PHE 738 Cb 0.23 -2.29 -0.09 0.00 -0.01 0.00 0.00 39.48 37.33 3hox n PHE 738 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3hox h THR 739 N 7.94 0.77 -4.19 4.37 1.35 -1.80 -3.40 112.91 117.94 3hox h THR 739 Ca -0.05 -2.36 -0.20 0.00 -0.55 0.00 0.00 66.41 63.25 3hox h THR 739 Cb 1.30 2.28 -0.15 0.00 -1.73 0.00 0.00 68.15 69.85 3hox h THR 739 CO 1.40 0.44 -0.66 -1.00 -0.25 0.00 0.00 175.52 175.44 3hox s HIS 740 N -2.82 0.86 0.02 4.73 3.76 -0.69 -0.13 115.29 121.02 3hox s HIS 740 Ca -0.02 -1.13 0.03 0.00 -0.15 0.00 0.00 55.06 53.80 3hox s HIS 740 Cb 0.08 -0.51 -0.02 0.00 1.11 0.00 0.00 32.58 33.25 3hox s HIS 740 CO 0.81 -0.39 -0.10 0.00 -0.85 0.00 0.00 174.74 174.20 3hox s GLU 742 N -0.85 4.23 0.44 0.00 2.56 0.19 -1.60 118.70 123.68 3hox s GLU 742 Ca -0.00 1.82 0.25 0.00 0.00 0.00 0.00 54.97 57.04 3hox s GLU 742 Cb -0.06 -3.79 1.26 0.00 2.00 0.00 0.00 34.13 33.54 3hox s GLU 742 CO 0.00 -0.71 1.77 0.82 -0.56 0.00 0.00 175.26 176.59 3hox h ILE 743 N 5.43 0.47 0.00 -3.70 2.04 -1.85 -3.43 117.51 116.47 3hox h ILE 743 Ca -0.31 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.46 3hox h ILE 743 Cb 1.13 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3hox h ILE 743 CO 0.95 0.05 0.00 1.57 0.00 0.00 0.00 178.15 180.72 3hox n HIS 744 N -4.50 0.00 -0.25 1.37 -0.00 -1.26 -4.71 115.22 105.87 3hox n HIS 744 Ca 0.26 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 58.03 3hox n HIS 744 Cb 1.02 0.00 0.16 0.00 -0.00 0.00 0.00 29.99 31.17 3hox n HIS 744 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3hox h PRO 745 N 0.00 0.15 -1.28 1.57 0.13 -1.86 -1.45 132.00 129.26 3hox h PRO 745 Ca 0.00 -0.01 0.39 0.00 -0.87 0.00 0.00 66.00 65.51 3hox h PRO 745 Cb 0.00 -0.03 -0.07 0.00 0.13 0.00 0.00 31.00 31.03 3hox h PRO 745 CO 0.00 0.10 0.90 -1.13 -0.23 0.00 0.00 178.00 177.64 3hox n SER 746 N -5.28 0.04 0.00 1.44 3.41 -1.26 0.90 113.62 112.87 3hox n SER 746 Ca 0.13 0.77 0.08 0.00 -0.26 0.00 0.00 58.87 59.60 3hox n SER 746 Cb 0.46 -0.38 0.50 0.00 -0.26 0.00 0.00 64.21 64.53 3hox n SER 746 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3hox n MET 747 N -3.54 0.54 0.10 4.33 2.81 -0.55 -2.57 117.12 118.24 3hox n MET 747 Ca 0.31 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 56.15 3hox n MET 747 Cb 1.34 -1.49 0.10 0.00 -0.71 0.00 0.00 33.22 32.46 3hox n MET 747 CO 0.00 0.00 0.00 -0.84 1.51 0.00 0.00 175.97 176.64 3hox h ILE 748 N 0.00 1.43 -0.22 2.02 3.07 0.28 -3.33 117.51 120.75 3hox h ILE 748 Ca 0.00 -2.15 0.00 0.00 1.55 0.00 0.00 64.86 64.26 3hox h ILE 748 Cb 0.00 2.13 0.00 0.00 -0.27 0.00 0.00 36.82 38.68 3hox h ILE 748 CO 0.00 0.63 0.00 0.18 -1.05 0.00 0.00 178.15 177.91 3hox n LEU 749 N -3.81 0.00 -3.59 0.16 4.77 -1.06 -3.97 117.00 109.50 3hox n LEU 749 Ca -0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 3hox n LEU 749 Cb 0.66 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.71 3hox n LEU 749 CO 0.45 -0.72 0.28 -0.83 -1.33 0.00 0.00 177.39 175.23 3hox s GLY 750 N -1.17 -0.34 0.05 -0.72 0.00 -1.26 -2.53 107.32 101.34 3hox s GLY 750 Ca 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 44.72 44.76 3hox s GLY 750 CO 0.00 -0.13 0.34 -0.62 0.00 0.00 0.00 173.10 172.69 3hox n VAL 751 N -0.31 -0.12 0.00 1.40 0.31 -1.26 0.16 118.33 118.51 3hox n VAL 751 Ca -0.15 0.51 0.00 0.00 -0.01 0.00 0.00 64.34 64.70 3hox n VAL 751 Cb 0.64 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 3hox n VAL 751 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hox n ALA 752 N -3.88 -0.30 0.14 3.52 0.00 -1.26 -2.99 120.51 115.75 3hox n ALA 752 Ca 0.02 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.63 3hox n ALA 752 Cb 0.08 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.14 3hox n ALA 752 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hox h ALA 753 N -2.00 2.02 0.00 0.00 0.00 -1.44 -0.57 119.26 117.26 3hox h ALA 753 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3hox h ALA 753 Cb 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hox h ALA 753 CO 0.00 -0.80 -0.12 0.77 0.00 0.00 0.00 179.25 179.10 3hox h SER 754 N 0.00 0.00 0.41 0.00 0.02 -0.18 -1.76 113.55 112.04 3hox h SER 754 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3hox h SER 754 Cb 1.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.95 3hox h SER 754 CO -0.00 0.12 -0.25 -0.38 -1.14 0.00 0.00 176.83 175.18 3hox n ILE 755 N -3.86 0.00 -2.54 3.27 5.41 -0.22 -4.59 119.36 116.83 3hox n ILE 755 Ca -0.02 -0.06 -0.43 0.00 1.00 0.00 0.00 62.75 63.24 3hox n ILE 755 Cb 0.22 0.13 -0.02 0.00 -0.71 0.00 0.00 39.64 39.25 3hox n ILE 755 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3hox s ILE 756 N -2.66 4.46 0.05 1.39 1.01 -0.66 -4.95 121.20 119.84 3hox s ILE 756 Ca 0.22 1.76 -0.30 0.00 0.00 0.00 0.00 60.65 62.33 3hox s ILE 756 Cb 0.19 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 3hox s ILE 756 CO 0.55 -0.07 1.07 -2.16 0.00 0.00 0.00 174.94 174.33 3hox s PRO 757 N 2.72 4.53 -1.46 2.79 0.04 -1.26 -3.98 135.00 138.38 3hox s PRO 757 Ca 0.51 1.59 -0.10 0.00 0.04 0.00 0.00 61.00 63.05 3hox s PRO 757 Cb -0.20 -3.39 0.05 0.00 0.04 0.00 0.00 34.50 31.00 3hox s PRO 757 CO 0.16 -0.09 0.79 1.19 0.04 0.00 0.00 177.00 179.08 3hox n PHE 758 N 3.64 -2.17 0.17 0.56 0.99 -0.64 -4.80 117.46 115.21 3hox n PHE 758 Ca 0.06 0.71 0.07 0.00 -0.00 0.00 0.00 57.45 58.29 3hox n PHE 758 Cb 0.49 -4.01 0.36 0.00 -1.00 0.00 0.00 39.48 35.31 3hox n PHE 758 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3hox n PRO 759 N -4.32 0.09 -0.86 -1.08 -0.04 -1.26 0.14 135.00 127.68 3hox n PRO 759 Ca -0.02 0.57 -0.17 0.00 -0.04 0.00 0.00 63.50 63.84 3hox n PRO 759 Cb 0.56 -2.10 0.07 0.00 -0.04 0.00 0.00 33.50 31.99 3hox n PRO 759 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3hox n ASP 760 N -2.06 5.39 -0.03 3.54 5.75 -1.26 -3.48 116.55 124.40 3hox n ASP 760 Ca -0.01 -3.08 0.00 0.00 -0.01 0.00 0.00 54.79 51.69 3hox n ASP 760 Cb 0.33 -0.90 0.00 0.00 -1.03 0.00 0.00 41.12 39.51 3hox n ASP 760 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3hox n HIS 761 N -0.10 0.00 -4.82 2.11 8.25 0.12 -5.08 115.22 115.70 3hox n HIS 761 Ca 0.35 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.50 3hox n HIS 761 Cb 0.82 0.08 -0.14 0.00 1.12 0.00 0.00 29.99 31.88 3hox n HIS 761 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3hox s ASN 762 N -0.03 3.50 0.14 0.41 0.01 -1.23 -3.23 114.94 114.52 3hox s ASN 762 Ca 0.00 -0.48 -0.33 0.00 -0.71 0.00 0.00 52.86 51.34 3hox s ASN 762 Cb 0.00 -0.47 -0.12 0.00 0.41 0.00 0.00 41.25 41.06 3hox s ASN 762 CO 0.00 0.27 1.73 1.67 -1.51 0.00 0.00 177.10 179.26 3hox n GLN 763 N 1.76 2.53 0.00 -0.60 7.27 -1.00 -4.86 117.38 122.47 3hox n GLN 763 Ca -0.17 0.91 0.00 0.00 0.07 0.00 0.00 57.00 57.82 3hox n GLN 763 Cb 0.52 -2.75 0.00 0.00 2.41 0.00 0.00 30.24 30.42 3hox n GLN 763 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 3hox n SER 764 N 4.58 0.00 -0.33 1.69 2.88 -1.26 -1.45 113.62 119.73 3hox n SER 764 Ca 0.18 0.29 0.24 0.00 -1.33 0.00 0.00 58.87 58.25 3hox n SER 764 Cb 0.33 -0.12 0.48 0.00 -0.75 0.00 0.00 64.21 64.15 3hox n SER 764 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3hox h PRO 765 N 0.00 0.20 -1.26 -1.46 0.13 -1.98 0.17 132.00 127.80 3hox h PRO 765 Ca 0.00 -0.01 0.41 0.00 -0.87 0.00 0.00 66.00 65.52 3hox h PRO 765 Cb 0.00 -0.05 -0.12 0.00 0.13 0.00 0.00 31.00 30.96 3hox h PRO 765 CO 0.00 0.13 0.81 0.00 -0.23 0.00 0.00 178.00 178.72 3hox h ARG 766 N 0.21 0.13 0.00 0.86 2.47 -1.60 1.00 114.38 117.44 3hox h ARG 766 Ca 0.74 -0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 59.40 3hox h ARG 766 Cb 1.74 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 30.02 3hox h ARG 766 CO -0.67 0.09 -0.25 -0.91 0.56 0.00 0.00 179.97 178.78 3hox h ASN 767 N 0.14 0.00 0.85 7.04 2.35 -1.10 -3.09 115.58 121.77 3hox h ASN 767 Ca 0.78 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.46 3hox h ASN 767 Cb 2.38 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.74 3hox h ASN 767 CO -0.40 0.25 -0.35 0.74 -1.65 0.00 0.00 177.43 176.01 3hox h THR 768 N 0.00 0.84 0.32 2.81 2.02 0.95 -2.86 112.91 117.00 3hox h THR 768 Ca -0.00 -1.46 -0.02 0.00 0.77 0.00 0.00 66.41 65.70 3hox h THR 768 Cb 1.05 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 3hox h THR 768 CO 0.03 0.35 -0.15 1.88 0.37 0.00 0.00 175.52 177.99 3hox h TYR 769 N 0.00 -0.40 -0.16 3.16 0.99 -1.44 -3.05 116.97 116.07 3hox h TYR 769 Ca -0.00 -0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.76 3hox h TYR 769 Cb 0.87 0.13 -0.01 0.00 1.00 0.00 0.00 36.73 38.73 3hox h TYR 769 CO 0.00 -0.18 0.55 0.37 -0.00 0.00 0.00 178.16 178.91 3hox h GLN 770 N -1.08 0.00 0.00 4.88 5.75 -1.59 0.47 115.11 123.55 3hox h GLN 770 Ca -0.04 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.38 3hox h GLN 770 Cb 0.40 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 3hox h GLN 770 CO 0.07 0.00 -0.36 0.77 -2.65 0.00 0.00 178.83 176.66 3hox h SER 771 N 0.00 0.00 0.00 -0.69 0.02 -1.38 -2.64 113.55 108.86 3hox h SER 771 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3hox h SER 771 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 3hox h SER 771 CO -0.00 0.36 -0.54 0.00 -1.14 0.00 0.00 176.83 175.51 3hox n ALA 772 N -2.31 2.23 0.09 3.77 0.00 0.14 -4.58 120.51 119.85 3hox n ALA 772 Ca -0.00 -0.07 -0.17 0.00 0.00 0.00 0.00 53.44 53.19 3hox n ALA 772 Cb 0.48 -0.09 -0.10 0.00 0.00 0.00 0.00 19.45 19.74 3hox n ALA 772 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3hox h MET 773 N 0.00 0.46 0.00 0.00 2.07 -1.07 -3.01 114.93 113.38 3hox h MET 773 Ca 0.00 -0.60 -0.00 0.00 -2.07 0.00 0.00 59.70 57.02 3hox h MET 773 Cb 0.08 0.20 -0.00 0.00 -1.87 0.00 0.00 31.60 30.01 3hox h MET 773 CO 0.00 1.24 -0.02 0.78 1.07 0.00 0.00 176.91 179.98 3hox h GLY 774 N 0.97 0.00 -0.43 8.32 0.00 -1.69 0.23 103.07 110.47 3hox h GLY 774 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3hox h GLY 774 CO 0.20 0.00 0.00 0.28 0.00 0.00 0.00 176.54 177.02 3hox n LYS 775 N -3.44 1.20 0.00 4.80 5.02 -1.14 -2.87 118.16 121.73 3hox n LYS 775 Ca -0.02 -0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.01 3hox n LYS 775 Cb 0.12 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3hox n LYS 775 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3hox n GLN 776 N -0.23 1.56 -0.74 1.97 6.02 0.80 -4.92 117.38 121.83 3hox n GLN 776 Ca 0.02 -1.02 -0.03 0.00 -0.01 0.00 0.00 57.00 55.96 3hox n GLN 776 Cb 0.11 -0.79 0.02 0.00 1.02 0.00 0.00 30.24 30.60 3hox n GLN 776 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hox n ALA 777 N -0.27 -0.02 -2.36 -1.58 0.00 -1.14 -0.12 120.51 115.03 3hox n ALA 777 Ca 0.00 -0.25 -0.17 0.00 0.00 0.00 0.00 53.44 53.02 3hox n ALA 777 Cb 0.34 0.03 -0.10 0.00 0.00 0.00 0.00 19.45 19.72 3hox n ALA 777 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3hox s MET 778 N -2.87 1.18 0.00 0.00 -1.94 -1.08 -4.53 119.30 110.06 3hox s MET 778 Ca 0.09 -1.46 0.00 0.00 -1.71 0.00 0.00 55.69 52.61 3hox s MET 778 Cb -0.00 -0.93 0.00 0.00 2.01 0.00 0.00 34.83 35.90 3hox s MET 778 CO 0.06 0.15 0.00 0.41 -0.01 0.00 0.00 175.02 175.63 3hox n GLY 779 N -0.09 0.12 2.59 -0.03 0.00 -1.26 -3.89 105.19 102.63 3hox n GLY 779 Ca -0.11 0.54 -0.21 0.00 0.00 0.00 0.00 46.02 46.24 3hox n GLY 779 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hox s VAL 780 N 2.81 -0.11 0.66 1.61 -7.23 -1.25 -1.48 120.40 115.41 3hox s VAL 780 Ca 0.00 -1.64 0.40 0.00 -1.81 0.00 0.00 61.98 58.94 3hox s VAL 780 Cb 0.00 -0.86 0.41 0.00 0.56 0.00 0.00 36.38 36.49 3hox s VAL 780 CO 0.00 -0.80 2.27 2.19 -0.31 0.00 0.00 175.10 178.44 3hox h PHE 781 N 6.40 0.00 -2.97 2.82 -5.15 -1.83 -3.40 116.94 112.80 3hox h PHE 781 Ca 0.12 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.84 3hox h PHE 781 Cb 1.00 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.17 3hox h PHE 781 CO 0.31 0.00 0.19 1.28 -2.00 0.00 0.00 178.31 178.09 3hox n LEU 782 N -3.11 0.00 -0.00 2.10 4.77 -1.26 -4.51 117.00 114.99 3hox n LEU 782 Ca -0.03 -2.27 0.06 0.00 -0.03 0.00 0.00 56.01 53.75 3hox n LEU 782 Cb 0.15 3.18 -0.08 0.00 -2.33 0.00 0.00 43.42 44.34 3hox n LEU 782 CO 0.19 -0.72 -0.10 0.35 -1.33 0.00 0.00 177.39 175.78 3hox n THR 783 N -0.47 0.00 -1.05 -5.08 -2.24 -1.26 -4.43 114.28 99.75 3hox n THR 783 Ca -0.07 -0.21 -0.06 0.00 -2.27 0.00 0.00 64.05 61.44 3hox n THR 783 Cb 0.51 0.91 0.31 0.00 -2.10 0.00 0.00 70.33 69.96 3hox n THR 783 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3hox n ASN 784 N -1.38 4.91 -0.32 3.42 6.94 -1.26 -4.55 115.26 123.01 3hox n ASN 784 Ca 0.02 -3.23 0.12 0.00 -0.02 0.00 0.00 54.58 51.47 3hox n ASN 784 Cb 0.22 -0.75 0.34 0.00 -2.36 0.00 0.00 39.78 37.23 3hox n ASN 784 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 3hox h TYR 785 N 2.72 0.96 -0.20 -2.53 -0.00 -1.94 0.38 116.97 116.35 3hox h TYR 785 Ca 0.28 0.03 0.06 0.00 0.00 0.00 0.00 58.73 59.09 3hox h TYR 785 Cb 2.38 -0.30 -0.01 0.00 0.00 0.00 0.00 36.73 38.81 3hox h TYR 785 CO 1.32 0.28 0.35 -0.97 -0.00 0.00 0.00 178.16 179.14 3hox h ASN 786 N 0.75 0.00 -0.13 0.10 -0.00 -1.96 -0.51 115.58 113.83 3hox h ASN 786 Ca 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.82 3hox h ASN 786 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.14 3hox h ASN 786 CO -0.29 0.00 0.00 0.52 -0.00 0.00 0.00 177.43 177.66 3hox n VAL 787 N -3.38 0.28 -4.13 2.57 0.31 0.13 -4.99 118.33 109.13 3hox n VAL 787 Ca 0.02 -0.64 -0.34 0.00 -0.01 0.00 0.00 64.34 63.37 3hox n VAL 787 Cb 0.46 1.06 -0.07 0.00 -0.91 0.00 0.00 33.84 34.38 3hox n VAL 787 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3hox s ARG 788 N -1.09 3.10 -0.49 5.55 0.52 -0.20 -5.03 118.95 121.31 3hox s ARG 788 Ca 0.19 -0.42 0.04 0.00 -0.52 0.00 0.00 55.73 55.01 3hox s ARG 788 Cb 0.12 -2.89 0.42 0.00 0.52 0.00 0.00 34.95 33.13 3hox s ARG 788 CO 0.17 0.68 1.41 -1.33 0.02 0.00 0.00 175.30 176.25 3hox n MET 789 N 1.48 3.28 -2.31 3.54 2.81 -1.26 -4.98 117.12 119.68 3hox n MET 789 Ca -0.15 -4.08 -0.39 0.00 -1.81 0.00 0.00 57.70 51.27 3hox n MET 789 Cb 0.53 -2.27 -0.03 0.00 -0.71 0.00 0.00 33.22 30.75 3hox n MET 789 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 3hox s ASP 790 N -2.93 6.76 0.19 7.83 3.84 -1.26 -4.81 116.67 126.28 3hox s ASP 790 Ca 0.52 2.38 -0.31 0.00 -0.00 0.00 0.00 52.55 55.13 3hox s ASP 790 Cb 0.42 -2.62 -0.10 0.00 -1.38 0.00 0.00 42.92 39.24 3hox s ASP 790 CO -0.13 -0.51 1.59 0.42 -0.00 0.00 0.00 175.17 176.53 3hox s THR 791 N -1.32 2.48 0.43 2.11 -4.23 -1.26 -3.93 115.64 109.93 3hox s THR 791 Ca 0.53 0.36 0.00 0.00 -1.18 0.00 0.00 61.69 61.39 3hox s THR 791 Cb -0.32 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.29 3hox s THR 791 CO 0.41 0.03 0.00 0.23 -0.54 0.00 0.00 174.62 174.75 3hox n MET 792 N 3.71 -3.48 0.00 3.99 2.81 -1.23 -4.81 117.12 118.11 3hox n MET 792 Ca 0.13 2.63 0.00 0.00 -1.81 0.00 0.00 57.70 58.65 3hox n MET 792 Cb 0.38 -3.21 0.00 0.00 -0.71 0.00 0.00 33.22 29.68 3hox n MET 792 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hox n ALA 793 N -1.50 0.00 -2.53 3.04 0.00 -0.54 -4.89 120.51 114.08 3hox n ALA 793 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 3hox n ALA 793 Cb 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.44 3hox n ALA 793 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3hox s ASN 794 N 0.00 1.99 -0.07 0.00 0.01 -1.26 -0.54 114.94 115.07 3hox s ASN 794 Ca 0.00 -0.37 -0.00 0.00 -0.71 0.00 0.00 52.86 51.78 3hox s ASN 794 Cb 0.00 -0.20 0.02 0.00 0.41 0.00 0.00 41.25 41.49 3hox s ASN 794 CO 0.00 0.17 -0.04 -0.63 -1.51 0.00 0.00 177.10 175.09 3hox s ILE 795 N -0.54 0.64 0.10 0.60 1.09 -1.14 -4.35 121.20 117.60 3hox s ILE 795 Ca 0.06 -0.10 -0.31 0.00 -1.10 0.00 0.00 60.65 59.20 3hox s ILE 795 Cb -0.07 -0.70 -0.07 0.00 -1.06 0.00 0.00 42.46 40.56 3hox s ILE 795 CO 0.00 0.28 1.33 -0.22 -0.10 0.00 0.00 174.94 176.23 3hox s LEU 796 N 1.45 4.37 0.00 2.97 2.96 -0.55 -0.22 118.68 129.66 3hox s LEU 796 Ca -0.02 2.23 -0.01 0.00 -0.22 0.00 0.00 54.13 56.11 3hox s LEU 796 Cb -0.13 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 42.97 3hox s LEU 796 CO -0.03 -0.59 1.02 1.88 -1.32 0.00 0.00 176.35 177.30 3hox h TYR 797 N 6.78 -0.06 -3.48 5.38 -1.99 -1.63 -3.36 116.97 118.61 3hox h TYR 797 Ca -0.42 0.00 -0.65 0.00 2.00 0.00 0.00 58.73 59.67 3hox h TYR 797 Cb 1.21 0.03 -0.41 0.00 2.00 0.00 0.00 36.73 39.56 3hox h TYR 797 CO 0.66 -0.02 -0.66 0.71 -0.00 0.00 0.00 178.16 178.85 3hox s TYR 798 N -3.09 3.37 0.37 4.88 4.12 -1.26 -5.08 117.35 120.65 3hox s TYR 798 Ca -0.00 -3.11 -0.24 0.00 0.02 0.00 0.00 57.07 53.73 3hox s TYR 798 Cb 0.00 -2.85 -0.10 0.00 -1.52 0.00 0.00 41.96 37.50 3hox s TYR 798 CO 0.02 -0.81 0.97 -2.14 0.02 0.00 0.00 175.55 173.61 3hox s PRO 799 N 0.12 4.39 0.05 -1.71 0.02 -1.26 -4.89 135.00 131.72 3hox s PRO 799 Ca 0.15 1.33 0.07 0.00 0.02 0.00 0.00 61.00 62.56 3hox s PRO 799 Cb -0.24 -2.59 -0.03 0.00 0.02 0.00 0.00 34.50 31.67 3hox s PRO 799 CO -0.03 0.10 -0.19 -0.65 -0.33 0.00 0.00 177.00 175.90 3hox s GLN 800 N -2.43 1.20 1.06 5.54 -0.21 -1.16 -5.00 119.66 118.67 3hox s GLN 800 Ca 0.55 -0.91 -0.18 0.00 0.02 0.00 0.00 55.36 54.84 3hox s GLN 800 Cb -0.17 -1.30 0.26 0.00 1.00 0.00 0.00 33.01 32.80 3hox s GLN 800 CO 0.22 0.33 1.05 0.36 -2.12 0.00 0.00 175.29 175.13 3hox n LYS 801 N 1.76 -2.52 -3.56 2.91 2.85 -1.26 -4.57 118.16 113.78 3hox n LYS 801 Ca -0.18 -1.67 -0.23 0.00 -1.05 0.00 0.00 58.31 55.18 3hox n LYS 801 Cb 0.54 -1.43 -0.02 0.00 -0.65 0.00 0.00 35.03 33.47 3hox n LYS 801 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 3hox s PRO 802 N -5.36 3.48 -0.04 -1.58 0.04 -1.26 -4.72 135.00 125.56 3hox s PRO 802 Ca 0.66 -0.44 -0.13 0.00 0.04 0.00 0.00 61.00 61.13 3hox s PRO 802 Cb -0.05 -2.73 -0.07 0.00 0.04 0.00 0.00 34.50 31.68 3hox s PRO 802 CO 0.49 0.24 0.57 -0.07 0.04 0.00 0.00 177.00 178.27 3hox h LEU 803 N 0.96 -0.39 -9.93 -3.56 3.38 -1.95 -3.44 115.31 100.38 3hox h LEU 803 Ca -0.50 0.01 -0.52 0.00 0.09 0.00 0.00 57.88 56.96 3hox h LEU 803 Cb 1.22 0.10 0.07 0.00 0.09 0.00 0.00 40.66 42.14 3hox h LEU 803 CO 0.62 0.00 0.56 -0.83 0.09 0.00 0.00 178.44 178.88 3hox s GLY 804 N -2.84 2.91 0.30 0.83 0.00 -1.26 -2.92 107.32 104.34 3hox s GLY 804 Ca -0.07 1.11 0.05 0.00 0.00 0.00 0.00 44.72 45.80 3hox s GLY 804 CO 0.20 1.67 0.26 -1.59 0.00 0.00 0.00 173.10 173.64 3hox s THR 805 N -1.31 0.00 -0.00 0.90 2.01 0.53 -4.87 115.64 112.90 3hox s THR 805 Ca 0.56 -1.96 0.01 0.00 0.31 0.00 0.00 61.69 60.60 3hox s THR 805 Cb -0.35 -2.51 -0.00 0.00 0.01 0.00 0.00 72.50 69.65 3hox s THR 805 CO 0.44 0.00 -0.03 0.28 -0.69 0.00 0.00 174.62 174.62 3hox s THR 806 N -3.58 0.24 0.64 -0.82 -1.32 -1.26 0.13 115.64 109.67 3hox s THR 806 Ca 0.40 -0.12 0.39 0.00 -1.21 0.00 0.00 61.69 61.15 3hox s THR 806 Cb 0.03 -0.21 0.41 0.00 -1.51 0.00 0.00 72.50 71.22 3hox s THR 806 CO 0.24 0.07 2.33 0.03 -2.21 0.00 0.00 174.62 175.08 3hox h ARG 807 N 6.13 0.00 -0.17 7.08 2.47 -1.95 0.44 114.38 128.39 3hox h ARG 807 Ca -0.27 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.27 3hox h ARG 807 Cb 1.20 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.51 3hox h ARG 807 CO 0.50 0.00 -0.64 0.00 0.56 0.00 0.00 179.97 180.39 3hox h ALA 808 N 1.99 0.56 -0.22 0.04 0.00 -1.95 -3.32 119.26 116.36 3hox h ALA 808 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3hox h ALA 808 Cb 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3hox h ALA 808 CO -0.00 0.71 0.00 -1.33 0.00 0.00 0.00 179.25 178.63 3hox n MET 809 N -3.93 0.00 0.00 0.00 2.81 0.15 -2.35 117.12 113.80 3hox n MET 809 Ca -0.04 0.94 0.00 0.00 -1.81 0.00 0.00 57.70 56.79 3hox n MET 809 Cb 0.66 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.74 3hox n MET 809 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 3hox n GLU 810 N -2.83 0.00 0.07 0.03 2.13 -1.25 0.27 120.64 119.07 3hox n GLU 810 Ca 0.00 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.89 3hox n GLU 810 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 3hox n GLU 810 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3hox n TYR 811 N -2.73 0.94 1.35 4.31 4.02 -0.99 -3.57 117.16 120.49 3hox n TYR 811 Ca 0.00 0.29 0.14 0.00 -0.01 0.00 0.00 57.90 58.32 3hox n TYR 811 Cb 0.00 -1.00 0.59 0.00 -0.02 0.00 0.00 39.34 38.91 3hox n TYR 811 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3hox n LEU 812 N -2.75 0.44 -3.01 7.72 4.77 0.78 -4.92 117.00 120.03 3hox n LEU 812 Ca -0.04 0.04 -0.20 0.00 -0.03 0.00 0.00 56.01 55.77 3hox n LEU 812 Cb 0.67 -0.21 0.06 0.00 -2.33 0.00 0.00 43.42 41.61 3hox n LEU 812 CO 0.41 0.08 0.13 0.29 -1.33 0.00 0.00 177.39 176.98 3hox n LYS 813 N -1.02 -5.98 0.11 3.23 4.76 -0.82 -4.80 118.16 113.64 3hox n LYS 813 Ca 0.13 0.76 -0.13 0.00 -2.87 0.00 0.00 58.31 56.20 3hox n LYS 813 Cb 0.29 -5.45 -0.08 0.00 -1.84 0.00 0.00 35.03 27.94 3hox n LYS 813 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3hox h PHE 814 N -1.94 -0.25 -0.03 2.13 3.57 -1.85 -3.09 116.94 115.49 3hox h PHE 814 Ca -0.49 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.02 3hox h PHE 814 Cb 1.32 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 40.14 3hox h PHE 814 CO 0.45 0.03 0.15 0.00 -2.23 0.00 0.00 178.31 176.71 3hox h ARG 815 N -0.52 0.00 0.00 1.11 3.08 -1.92 -0.02 114.38 116.11 3hox h ARG 815 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3hox h ARG 815 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3hox h ARG 815 CO 0.04 0.00 -0.98 0.39 -1.07 0.00 0.00 179.97 178.36 3hox n GLU 816 N -3.15 0.44 -3.12 0.04 4.71 -1.19 -4.45 120.64 113.92 3hox n GLU 816 Ca -0.02 0.06 -0.19 0.00 -0.01 0.00 0.00 57.16 57.00 3hox n GLU 816 Cb 0.22 -1.71 -0.03 0.00 -1.01 0.00 0.00 31.44 28.92 3hox n GLU 816 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3hox n LEU 817 N -2.30 0.01 0.00 -4.62 4.77 -0.16 -5.08 117.00 109.61 3hox n LEU 817 Ca 0.01 -4.64 -0.16 0.00 -0.03 0.00 0.00 56.01 51.19 3hox n LEU 817 Cb 0.49 0.71 0.15 0.00 -2.33 0.00 0.00 43.42 42.45 3hox n LEU 817 CO 0.39 2.16 0.19 -0.81 -1.33 0.00 0.00 177.39 177.99 3hox n PRO 818 N 0.86 -3.43 -2.81 3.23 -0.04 -0.38 -4.70 135.00 127.73 3hox n PRO 818 Ca 0.21 -0.77 -0.10 0.00 -0.04 0.00 0.00 63.50 62.79 3hox n PRO 818 Cb 0.61 -0.98 0.06 0.00 -0.04 0.00 0.00 33.50 33.15 3hox n PRO 818 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hox n ALA 819 N -4.45 1.18 0.00 0.55 0.00 -1.26 -3.97 120.51 112.57 3hox n ALA 819 Ca -0.10 -2.16 0.00 0.00 0.00 0.00 0.00 53.44 51.18 3hox n ALA 819 Cb 0.31 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3hox n ALA 819 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hox n GLY 820 N -0.00 -1.16 3.27 0.00 0.00 -1.25 -4.54 105.19 101.52 3hox n GLY 820 Ca 0.08 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 3hox n GLY 820 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hox s GLN 821 N -1.93 1.33 -0.42 1.61 -0.21 -0.71 -2.99 119.66 116.34 3hox s GLN 821 Ca 0.00 -1.62 -0.14 0.00 0.02 0.00 0.00 55.36 53.62 3hox s GLN 821 Cb 0.00 0.31 0.04 0.00 1.00 0.00 0.00 33.01 34.36 3hox s GLN 821 CO 0.00 -0.47 0.30 -0.80 -2.12 0.00 0.00 175.29 172.20 3hox s ASN 822 N -3.16 6.00 -0.16 5.90 0.01 -1.26 -0.83 114.94 121.44 3hox s ASN 822 Ca 0.37 -1.07 -0.08 0.00 -0.71 0.00 0.00 52.86 51.36 3hox s ASN 822 Cb 0.05 -2.12 -0.04 0.00 0.41 0.00 0.00 41.25 39.54 3hox s ASN 822 CO 0.13 -0.49 0.12 0.00 -1.51 0.00 0.00 177.10 175.36 3hox s ALA 823 N 1.62 3.73 -0.82 0.60 0.00 0.12 -4.79 121.76 122.22 3hox s ALA 823 Ca 0.04 -0.68 -0.25 0.00 0.00 0.00 0.00 51.96 51.07 3hox s ALA 823 Cb -0.21 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 3hox s ALA 823 CO 0.08 0.37 1.88 0.42 0.00 0.00 0.00 175.76 178.51 3hox s ILE 824 N -0.27 3.45 0.16 0.00 -1.09 -1.26 -1.58 121.20 120.61 3hox s ILE 824 Ca 0.11 -0.20 -0.13 0.00 -2.23 0.00 0.00 60.65 58.20 3hox s ILE 824 Cb -0.12 -4.07 -0.07 0.00 -1.58 0.00 0.00 42.46 36.62 3hox s ILE 824 CO 0.01 -1.02 0.54 -0.69 -1.23 0.00 0.00 174.94 172.55 3hox s VAL 825 N 9.38 4.89 0.02 2.92 1.01 -0.94 -0.35 120.40 137.34 3hox s VAL 825 Ca 0.67 0.71 0.05 0.00 0.00 0.00 0.00 61.98 63.42 3hox s VAL 825 Cb -0.08 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 3hox s VAL 825 CO 0.05 0.17 -0.16 0.00 0.00 0.00 0.00 175.10 175.16 3hox s ALA 826 N -1.55 1.34 -0.61 5.51 0.00 -0.97 -2.52 121.76 122.96 3hox s ALA 826 Ca 0.40 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 51.49 3hox s ALA 826 Cb -0.14 -0.27 0.16 0.00 0.00 0.00 0.00 23.12 22.87 3hox s ALA 826 CO 0.20 0.29 0.44 0.42 0.00 0.00 0.00 175.76 177.11 3hox s ILE 827 N -0.67 3.89 0.20 0.00 1.01 -1.21 -1.75 121.20 122.69 3hox s ILE 827 Ca 0.04 -2.72 -0.22 0.00 0.00 0.00 0.00 60.65 57.76 3hox s ILE 827 Cb -0.07 -3.54 0.05 0.00 0.01 0.00 0.00 42.46 38.91 3hox s ILE 827 CO 0.01 -0.86 0.63 0.00 0.00 0.00 0.00 174.94 174.71 3hox s ALA 828 N 0.20 -1.40 -0.07 9.38 0.00 -0.78 -4.20 121.76 124.89 3hox s ALA 828 Ca 0.15 0.14 -0.21 0.00 0.00 0.00 0.00 51.96 52.05 3hox s ALA 828 Cb -0.20 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 3hox s ALA 828 CO -0.04 -0.86 0.59 0.00 0.00 0.00 0.00 175.76 175.45 3hox n TYR 830 N 3.46 0.00 0.01 0.00 9.36 -1.26 -4.89 117.16 123.84 3hox n TYR 830 Ca -0.05 0.00 0.22 0.00 3.32 0.00 0.00 57.90 61.40 3hox n TYR 830 Cb 0.51 0.00 0.73 0.00 -0.63 0.00 0.00 39.34 39.95 3hox n TYR 830 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3hox h SER 831 N 0.00 0.00 0.00 2.98 4.64 -1.99 -3.44 113.55 115.74 3hox h SER 831 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hox h SER 831 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hox h SER 831 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3hox n GLY 832 N -1.57 1.07 0.12 -0.77 0.00 -1.26 -4.99 105.19 97.79 3hox n GLY 832 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 3hox n GLY 832 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3hox h TYR 833 N 0.00 0.38 0.00 1.61 -1.99 -1.95 -3.30 116.97 111.73 3hox h TYR 833 Ca 0.00 -0.28 0.00 0.00 2.00 0.00 0.00 58.73 60.45 3hox h TYR 833 Cb 0.00 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.71 3hox h TYR 833 CO 0.00 1.47 0.00 0.27 -0.00 0.00 0.00 178.16 179.90 3hox n ASN 834 N -3.38 0.00 -4.76 3.88 6.94 -1.25 -4.68 115.26 112.00 3hox n ASN 834 Ca -0.23 -0.26 -0.39 0.00 -0.02 0.00 0.00 54.58 53.68 3hox n ASN 834 Cb 1.05 -0.00 0.03 0.00 -2.36 0.00 0.00 39.78 38.49 3hox n ASN 834 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 3hox s GLN 835 N -2.00 3.43 -0.84 -3.83 0.74 -1.24 -3.34 119.66 112.58 3hox s GLN 835 Ca 0.13 2.27 -0.02 0.00 0.05 0.00 0.00 55.36 57.79 3hox s GLN 835 Cb 0.06 -2.44 0.00 0.00 1.10 0.00 0.00 33.01 31.73 3hox s GLN 835 CO 0.10 -0.97 0.71 0.39 -0.55 0.00 0.00 175.29 174.96 3hox n GLU 836 N -0.62 -4.72 -3.14 1.67 -0.58 -1.26 -3.76 120.64 108.23 3hox n GLU 836 Ca 0.08 0.56 -0.14 0.00 -0.42 0.00 0.00 57.16 57.24 3hox n GLU 836 Cb 0.44 -4.75 0.06 0.00 -0.57 0.00 0.00 31.44 26.61 3hox n GLU 836 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3hox n ASP 837 N -2.13 -3.84 -3.76 1.62 8.00 -1.26 -5.01 116.55 110.18 3hox n ASP 837 Ca -0.13 -0.39 -0.13 0.00 0.71 0.00 0.00 54.79 54.85 3hox n ASP 837 Cb 0.59 -3.60 -0.09 0.00 -0.02 0.00 0.00 41.12 37.99 3hox n ASP 837 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3hox s SER 838 N -3.49 -0.24 0.28 -2.24 1.04 -1.21 -3.43 113.70 104.41 3hox s SER 838 Ca 0.24 0.26 0.11 0.00 0.48 0.00 0.00 55.95 57.04 3hox s SER 838 Cb -0.11 0.42 -0.05 0.00 0.10 0.00 0.00 66.02 66.38 3hox s SER 838 CO 0.50 -0.35 -0.18 0.00 0.98 0.00 0.00 173.24 174.18 3hox s MET 839 N -0.90 1.65 0.05 4.02 0.23 0.12 -3.73 119.30 120.73 3hox s MET 839 Ca -0.10 -1.76 -0.16 0.00 -1.03 0.00 0.00 55.69 52.65 3hox s MET 839 Cb -0.04 -1.68 -0.06 0.00 -1.53 0.00 0.00 34.83 31.51 3hox s MET 839 CO 0.03 0.30 0.48 0.42 -2.03 0.00 0.00 175.02 174.22 3hox s ILE 840 N -2.58 4.92 -0.09 3.16 1.01 -1.15 -1.73 121.20 124.73 3hox s ILE 840 Ca 0.29 0.91 -0.00 0.00 0.00 0.00 0.00 60.65 61.85 3hox s ILE 840 Cb -0.04 -3.76 0.02 0.00 0.01 0.00 0.00 42.46 38.69 3hox s ILE 840 CO 0.14 0.49 -0.05 -0.32 0.00 0.00 0.00 174.94 175.20 3hox s MET 841 N -1.31 1.22 -0.40 2.79 1.75 -0.80 -2.04 119.30 120.52 3hox s MET 841 Ca 0.28 -0.14 -0.43 0.00 -1.25 0.00 0.00 55.69 54.15 3hox s MET 841 Cb -0.17 -1.35 -0.17 0.00 2.84 0.00 0.00 34.83 35.97 3hox s MET 841 CO 0.16 -0.25 1.75 -1.71 -0.65 0.00 0.00 175.02 174.32 3hox n ASN 842 N 4.90 1.74 0.16 1.11 5.15 0.03 -3.18 115.26 125.17 3hox n ASN 842 Ca -0.12 1.05 -0.12 0.00 -0.60 0.00 0.00 54.58 54.79 3hox n ASN 842 Cb 0.50 -1.02 -0.07 0.00 -0.53 0.00 0.00 39.78 38.66 3hox n ASN 842 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 3hox h GLN 843 N 6.78 -0.43 -0.99 1.20 5.75 0.67 -3.06 115.11 125.03 3hox h GLN 843 Ca -0.41 0.03 0.25 0.00 -0.15 0.00 0.00 58.65 58.37 3hox h GLN 843 Cb 1.35 0.10 -0.19 0.00 1.07 0.00 0.00 27.48 29.81 3hox h GLN 843 CO 0.99 -0.10 -0.06 0.77 -2.65 0.00 0.00 178.83 177.77 3hox h SER 844 N -0.91 -0.62 -0.79 -0.69 0.02 -1.90 1.10 113.55 109.76 3hox h SER 844 Ca -0.05 0.29 0.08 0.00 -0.84 0.00 0.00 61.79 61.27 3hox h SER 844 Cb 0.52 0.53 -0.07 0.00 0.14 0.00 0.00 62.40 63.53 3hox h SER 844 CO 0.07 -0.35 0.45 0.28 -1.14 0.00 0.00 176.83 176.15 3hox h SER 845 N 0.00 0.66 -0.76 3.07 0.02 -1.89 0.20 113.55 114.85 3hox h SER 845 Ca 0.56 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.52 3hox h SER 845 Cb 1.07 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.49 3hox h SER 845 CO -0.96 0.40 0.36 0.40 -1.14 0.00 0.00 176.83 175.89 3hox h ILE 846 N 0.79 1.24 0.95 3.27 2.04 0.13 0.51 117.51 126.44 3hox h ILE 846 Ca 0.37 -0.69 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 3hox h ILE 846 Cb 0.30 0.26 0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3hox h ILE 846 CO -0.22 0.29 -0.46 0.44 0.00 0.00 0.00 178.15 178.20 3hox h ASP 847 N 1.10 -1.08 0.00 1.72 5.19 0.04 -2.32 116.42 121.06 3hox h ASP 847 Ca 0.27 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.71 3hox h ASP 847 Cb 0.12 0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.91 3hox h ASP 847 CO -0.03 -0.75 0.00 0.54 -3.12 0.00 0.00 179.24 175.88 3hox n ARG 848 N -5.62 0.00 0.00 3.56 1.74 -0.08 -4.77 116.66 111.48 3hox n ARG 848 Ca -0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 3hox n ARG 848 Cb 0.50 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 3hox n ARG 848 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hox n GLY 849 N -0.89 3.47 0.00 -0.13 0.00 -0.87 -5.05 105.19 101.71 3hox n GLY 849 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3hox n GLY 849 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hox n LEU 850 N 0.00 0.00 -1.55 0.99 7.94 0.12 -1.21 117.00 123.29 3hox n LEU 850 Ca 0.00 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.72 3hox n LEU 850 Cb 0.00 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.89 3hox n LEU 850 CO 0.00 0.00 -0.19 0.49 -1.11 0.00 0.00 177.39 176.58 3hox n PHE 851 N 0.00 -0.22 -1.78 1.96 0.99 -1.26 -4.48 117.46 112.66 3hox n PHE 851 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.15 3hox n PHE 851 Cb 0.00 -3.19 0.07 0.00 -1.00 0.00 0.00 39.48 35.35 3hox n PHE 851 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3hox s ARG 852 N -3.88 2.44 0.13 -1.08 0.52 -0.35 -4.55 118.95 112.19 3hox s ARG 852 Ca 0.00 0.45 -0.17 0.00 -0.52 0.00 0.00 55.73 55.49 3hox s ARG 852 Cb 0.00 -1.98 0.04 0.00 0.52 0.00 0.00 34.95 33.54 3hox s ARG 852 CO 0.00 -1.33 0.44 -1.54 0.02 0.00 0.00 175.30 172.89 3hox s SER 853 N -4.26 -0.30 0.40 0.23 1.04 -1.15 -1.62 113.70 108.04 3hox s SER 853 Ca 0.60 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.81 3hox s SER 853 Cb -0.12 0.50 -0.00 0.00 0.10 0.00 0.00 66.02 66.49 3hox s SER 853 CO 0.52 -0.87 0.58 -0.76 0.98 0.00 0.00 173.24 173.69 3hox s LEU 854 N -2.78 3.78 -0.18 2.42 1.43 0.69 -1.57 118.68 122.47 3hox s LEU 854 Ca 0.02 0.03 -0.08 0.00 -1.03 0.00 0.00 54.13 53.08 3hox s LEU 854 Cb 0.01 -2.94 0.08 0.00 0.03 0.00 0.00 46.19 43.37 3hox s LEU 854 CO -0.12 -0.60 0.41 0.12 0.23 0.00 0.00 176.35 176.38 3hox s PHE 855 N -2.38 -0.71 0.16 0.29 5.36 0.20 -2.89 117.98 118.01 3hox s PHE 855 Ca 0.47 1.41 0.10 0.00 -0.96 0.00 0.00 56.93 57.95 3hox s PHE 855 Cb -0.10 0.27 -0.04 0.00 -0.34 0.00 0.00 43.02 42.81 3hox s PHE 855 CO 0.35 -0.43 -0.19 -0.06 -1.46 0.00 0.00 175.22 173.43 3hox s PHE 856 N 2.19 2.45 0.02 10.12 0.40 0.30 -0.57 117.98 132.89 3hox s PHE 856 Ca -0.04 -0.30 -0.00 0.00 -0.60 0.00 0.00 56.93 55.99 3hox s PHE 856 Cb -0.11 -1.25 -0.02 0.00 0.51 0.00 0.00 43.02 42.15 3hox s PHE 856 CO -0.12 0.45 -0.01 0.50 0.70 0.00 0.00 175.22 176.73 3hox s ARG 857 N -2.47 0.27 -0.17 0.44 3.52 -0.95 -1.47 118.95 118.12 3hox s ARG 857 Ca 0.20 -0.50 -0.01 0.00 -0.13 0.00 0.00 55.73 55.29 3hox s ARG 857 Cb -0.09 0.10 0.05 0.00 -1.56 0.00 0.00 34.95 33.44 3hox s ARG 857 CO 0.11 -0.05 -0.02 -1.12 -0.81 0.00 0.00 175.30 173.41 3hox s SER 858 N -1.23 2.88 0.16 -2.12 0.01 -1.25 -2.01 113.70 110.14 3hox s SER 858 Ca -0.13 -0.72 -0.13 0.00 1.31 0.00 0.00 55.95 56.27 3hox s SER 858 Cb -0.08 -0.82 -0.07 0.00 0.21 0.00 0.00 66.02 65.25 3hox s SER 858 CO -0.01 -0.22 0.54 -0.31 0.41 0.00 0.00 173.24 173.65 3hox s TYR 859 N 1.69 3.57 0.08 2.43 1.51 -0.60 -4.59 117.35 121.44 3hox s TYR 859 Ca -0.00 1.00 -0.03 0.00 -1.01 0.00 0.00 57.07 57.03 3hox s TYR 859 Cb -0.16 -2.33 -0.03 0.00 -0.11 0.00 0.00 41.96 39.33 3hox s TYR 859 CO -0.07 0.41 0.05 1.41 -1.11 0.00 0.00 175.55 176.23 3hox s MET 860 N -2.12 0.75 -0.05 -0.62 1.75 -1.26 -0.11 119.30 117.64 3hox s MET 860 Ca 0.39 -1.21 -0.30 0.00 -1.25 0.00 0.00 55.69 53.32 3hox s MET 860 Cb -0.14 0.25 0.11 0.00 2.84 0.00 0.00 34.83 37.89 3hox s MET 860 CO 0.19 -0.19 0.96 0.34 -0.65 0.00 0.00 175.02 175.68 3hox s ASP 861 N -2.94 -0.31 0.16 1.11 -1.08 -0.43 -5.01 116.67 108.18 3hox s ASP 861 Ca 0.11 0.00 0.02 0.00 -0.52 0.00 0.00 52.55 52.16 3hox s ASP 861 Cb 0.07 0.33 -0.05 0.00 -1.46 0.00 0.00 42.92 41.81 3hox s ASP 861 CO -0.07 -0.53 -0.01 -1.10 0.52 0.00 0.00 175.17 173.98 3hox s GLN 862 N -2.93 1.07 -0.54 4.34 -0.21 -1.26 -1.29 119.66 118.84 3hox s GLN 862 Ca 0.06 -1.51 -0.21 0.00 0.02 0.00 0.00 55.36 53.73 3hox s GLN 862 Cb -0.01 -0.26 0.06 0.00 1.00 0.00 0.00 33.01 33.80 3hox s GLN 862 CO -0.08 -0.11 0.73 -1.21 -2.12 0.00 0.00 175.29 172.50 3hox s GLU 863 N -3.90 3.16 1.05 2.91 2.02 -0.82 -5.01 118.70 118.11 3hox s GLU 863 Ca 0.22 -0.78 -0.14 0.00 0.02 0.00 0.00 54.97 54.29 3hox s GLU 863 Cb 0.06 -4.11 0.19 0.00 0.10 0.00 0.00 34.13 30.37 3hox s GLU 863 CO 0.03 -1.36 0.39 1.63 0.02 0.00 0.00 175.26 175.96 3hox n LYS 864 N 6.61 -2.53 -3.95 1.61 5.02 -1.26 -4.69 118.16 118.97 3hox n LYS 864 Ca -0.05 -0.75 -0.09 0.00 -2.02 0.00 0.00 58.31 55.40 3hox n LYS 864 Cb 0.46 -1.52 -0.07 0.00 -0.02 0.00 0.00 35.03 33.87 3hox n LYS 864 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3hox s LYS 865 N -3.63 1.07 -0.05 1.97 2.36 -1.26 -3.43 119.74 116.77 3hox s LYS 865 Ca 0.39 -1.15 -0.01 0.00 -2.55 0.00 0.00 55.97 52.65 3hox s LYS 865 Cb -0.07 0.36 0.03 0.00 -1.05 0.00 0.00 37.83 37.10 3hox s LYS 865 CO 0.36 -0.37 0.02 0.71 1.55 0.00 0.00 175.35 177.61 3hox s TYR 866 N -3.95 0.36 0.14 4.03 1.51 0.36 -4.95 117.35 114.85 3hox s TYR 866 Ca 0.15 0.02 -0.04 0.00 -1.01 0.00 0.00 57.07 56.19 3hox s TYR 866 Cb 0.04 -0.58 0.24 0.00 -0.11 0.00 0.00 41.96 41.55 3hox s TYR 866 CO -0.02 -0.22 0.78 0.41 -1.11 0.00 0.00 175.55 175.39 3hox n GLY 867 N 4.89 -0.84 2.65 0.71 0.00 -1.26 -1.59 105.19 109.75 3hox n GLY 867 Ca -0.12 0.54 -0.41 0.00 0.00 0.00 0.00 46.02 46.03 3hox n GLY 867 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3hox n MET 868 N -4.81 3.54 -3.49 1.61 2.81 -1.26 -4.79 117.12 110.73 3hox n MET 868 Ca 0.08 -2.96 -0.14 0.00 -1.81 0.00 0.00 57.70 52.87 3hox n MET 868 Cb 0.26 -2.97 0.00 0.00 -0.71 0.00 0.00 33.22 29.80 3hox n MET 868 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3hox n SER 869 N 4.20 -1.65 -3.89 7.83 7.64 -0.62 -4.94 113.62 122.19 3hox n SER 869 Ca 0.55 -0.44 -0.29 0.00 1.01 0.00 0.00 58.87 59.70 3hox n SER 869 Cb 0.33 -0.59 -0.16 0.00 -1.01 0.00 0.00 64.21 62.77 3hox n SER 869 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3hox s ILE 870 N -3.54 1.15 0.27 0.44 1.01 -1.11 -4.98 121.20 114.43 3hox s ILE 870 Ca 0.11 -0.77 0.11 0.00 0.00 0.00 0.00 60.65 60.09 3hox s ILE 870 Cb -0.06 -1.39 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 3hox s ILE 870 CO 0.35 0.03 -0.18 -0.89 0.00 0.00 0.00 174.94 174.26 3hox s THR 871 N 1.60 2.31 0.71 2.92 2.01 -1.26 -0.49 115.64 123.44 3hox s THR 871 Ca -0.01 -2.36 -0.00 0.00 0.31 0.00 0.00 61.69 59.63 3hox s THR 871 Cb -0.16 -2.28 0.12 0.00 0.01 0.00 0.00 72.50 70.19 3hox s THR 871 CO -0.07 -0.42 0.97 -1.61 -0.69 0.00 0.00 174.62 172.80 3hox s GLU 872 N -3.55 1.75 -0.06 4.92 2.02 -1.22 -4.48 118.70 118.08 3hox s GLU 872 Ca 0.29 -1.12 -0.18 0.00 0.02 0.00 0.00 54.97 53.98 3hox s GLU 872 Cb -0.04 -2.35 0.04 0.00 0.10 0.00 0.00 34.13 31.88 3hox s GLU 872 CO 0.14 -1.39 0.42 0.95 0.02 0.00 0.00 175.26 175.40 3hox s THR 873 N -3.10 0.03 -0.76 3.63 -4.23 -0.91 -4.82 115.64 105.48 3hox s THR 873 Ca 0.66 -0.25 -0.18 0.00 -1.18 0.00 0.00 61.69 60.74 3hox s THR 873 Cb -0.06 -0.70 0.14 0.00 1.34 0.00 0.00 72.50 73.23 3hox s THR 873 CO 0.44 -0.14 0.86 -0.36 -0.54 0.00 0.00 174.62 174.88 3hox s PHE 874 N -0.89 3.24 0.28 3.99 2.99 -1.25 0.16 117.98 126.50 3hox s PHE 874 Ca -0.09 -1.37 0.01 0.00 0.00 0.00 0.00 56.93 55.47 3hox s PHE 874 Cb -0.04 -4.05 -0.03 0.00 0.00 0.00 0.00 43.02 38.91 3hox s PHE 874 CO 0.04 -1.28 0.28 -1.83 -0.00 0.00 0.00 175.22 172.43 3hox s GLU 875 N 2.01 1.56 -0.93 0.44 -1.05 -0.47 -3.71 118.70 116.56 3hox s GLU 875 Ca 0.20 -1.76 -0.09 0.00 -0.15 0.00 0.00 54.97 53.17 3hox s GLU 875 Cb -0.14 0.34 0.24 0.00 -0.44 0.00 0.00 34.13 34.13 3hox s GLU 875 CO -0.03 -0.58 0.87 0.21 0.95 0.00 0.00 175.26 176.68 3hox s LYS 876 N -3.69 3.69 1.23 -4.83 2.20 -1.26 -3.94 119.74 113.15 3hox s LYS 876 Ca 0.37 -2.89 -0.19 0.00 -0.36 0.00 0.00 55.97 52.90 3hox s LYS 876 Cb 0.03 -4.34 0.30 0.00 -1.51 0.00 0.00 37.83 32.31 3hox s LYS 876 CO 0.19 -1.26 1.07 -1.25 -0.36 0.00 0.00 175.35 173.74 3hox s PRO 877 N -0.64 -1.47 0.00 4.03 0.04 -1.26 -5.10 135.00 130.61 3hox s PRO 877 Ca 0.24 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.33 3hox s PRO 877 Cb -0.11 -1.56 0.00 0.00 0.04 0.00 0.00 34.50 32.88 3hox s PRO 877 CO -0.09 -3.90 0.00 1.04 0.04 0.00 0.00 177.00 174.10 3hox n GLN 878 N -4.91 0.00 0.00 4.56 3.00 -1.26 -5.08 117.38 113.69 3hox n GLN 878 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 3hox n GLN 878 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.83 3hox n GLN 878 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3hox n ARG 879 N 0.00 0.00 -3.73 -1.09 3.00 -1.26 -4.57 116.66 109.01 3hox n ARG 879 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.85 57.58 3hox n ARG 879 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 32.46 32.52 3hox n ARG 879 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 3hox n THR 880 N 0.00 -2.87 0.00 0.55 -1.04 -1.26 -3.77 114.28 105.89 3hox n THR 880 Ca 0.00 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3hox n THR 880 Cb 0.00 -3.56 0.00 0.00 -1.82 0.00 0.00 70.33 64.95 3hox n THR 880 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3hox n ASN 881 N -2.95 0.00 -0.03 8.00 3.02 -1.26 -0.95 115.26 121.08 3hox n ASN 881 Ca -0.01 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.50 3hox n ASN 881 Cb 0.56 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.70 3hox n ASN 881 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3hox h THR 882 N 0.00 0.00 0.00 3.41 2.02 -1.79 -3.46 112.91 113.09 3hox h THR 882 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3hox h THR 882 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 3hox h THR 882 CO 0.00 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.07 3hox n LEU 883 N -3.41 0.00 -4.58 2.58 4.77 -1.25 -4.82 117.00 110.29 3hox n LEU 883 Ca -0.01 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.83 3hox n LEU 883 Cb 0.09 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.07 3hox n LEU 883 CO 0.00 0.00 1.10 -0.13 -1.33 0.00 0.00 177.39 177.03 3hox s ARG 884 N 0.00 1.19 0.00 3.23 1.81 -1.26 -4.54 118.95 119.37 3hox s ARG 884 Ca 0.00 -0.22 0.00 0.00 -1.72 0.00 0.00 55.73 53.79 3hox s ARG 884 Cb 0.00 -4.93 0.00 0.00 -0.45 0.00 0.00 34.95 29.57 3hox s ARG 884 CO 0.00 -5.39 0.00 -1.33 -0.68 0.00 0.00 175.30 167.90 3hox n MET 885 N 8.30 1.03 -2.93 3.54 2.81 -1.26 0.05 117.12 128.64 3hox n MET 885 Ca 0.42 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 56.19 3hox n MET 885 Cb 0.46 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.95 3hox n MET 885 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3hox n LYS 886 N 0.00 1.43 -0.00 0.03 4.76 -1.26 -4.91 118.16 118.21 3hox n LYS 886 Ca 0.00 -1.46 0.03 0.00 -2.87 0.00 0.00 58.31 54.01 3hox n LYS 886 Cb 0.00 0.34 -0.04 0.00 -1.84 0.00 0.00 35.03 33.49 3hox n LYS 886 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3hox n HIS 887 N -0.62 0.00 -2.09 2.13 8.25 -1.26 -5.04 115.22 116.59 3hox n HIS 887 Ca -0.07 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.09 3hox n HIS 887 Cb 0.26 -0.14 0.01 0.00 1.12 0.00 0.00 29.99 31.24 3hox n HIS 887 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3hox s GLY 888 N -2.71 1.61 0.12 -1.41 0.00 -1.26 -4.98 107.32 98.69 3hox s GLY 888 Ca -0.02 -0.25 -0.31 0.00 0.00 0.00 0.00 44.72 44.14 3hox s GLY 888 CO 0.24 0.00 1.80 -1.59 0.00 0.00 0.00 173.10 173.55 3hox s THR 889 N -3.08 2.56 -0.32 0.90 2.01 -1.26 -4.60 115.64 111.85 3hox s THR 889 Ca 0.53 0.10 0.22 0.00 0.31 0.00 0.00 61.69 62.85 3hox s THR 889 Cb -0.11 -3.06 0.15 0.00 0.01 0.00 0.00 72.50 69.49 3hox s THR 889 CO 0.51 0.00 1.30 1.88 -0.69 0.00 0.00 174.62 177.62 3hox h TYR 890 N 8.47 0.00 -0.82 4.92 -1.99 -1.93 -2.72 116.97 122.89 3hox h TYR 890 Ca -0.45 0.00 0.16 0.00 2.00 0.00 0.00 58.73 60.44 3hox h TYR 890 Cb 1.21 0.00 -0.15 0.00 2.00 0.00 0.00 36.73 39.79 3hox h TYR 890 CO 0.78 0.03 -0.22 -0.44 -0.00 0.00 0.00 178.16 178.31 3hox h ASP 891 N 0.00 -0.82 0.00 3.88 3.32 -1.95 0.49 116.42 121.33 3hox h ASP 891 Ca -0.01 0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3hox h ASP 891 Cb 1.03 0.53 0.00 0.00 0.22 0.00 0.00 39.33 41.11 3hox h ASP 891 CO 0.00 -0.28 0.18 0.29 -1.72 0.00 0.00 179.24 177.72 3hox n LYS 892 N -5.53 0.00 -3.10 3.56 5.02 -1.26 -4.42 118.16 112.43 3hox n LYS 892 Ca 0.11 0.23 -0.39 0.00 -2.02 0.00 0.00 58.31 56.24 3hox n LYS 892 Cb 0.41 -1.68 -0.05 0.00 -0.02 0.00 0.00 35.03 33.70 3hox n LYS 892 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hox s LEU 893 N -2.38 4.27 0.00 -0.35 1.43 0.17 -4.45 118.68 117.37 3hox s LEU 893 Ca 0.00 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.16 3hox s LEU 893 Cb 0.00 -2.99 0.00 0.00 0.03 0.00 0.00 46.19 43.23 3hox s LEU 893 CO 0.00 -0.13 0.00 0.47 0.23 0.00 0.00 176.35 176.92 3hox n ASP 894 N 4.04 0.00 -0.03 2.29 9.92 0.33 -4.92 116.55 128.17 3hox n ASP 894 Ca -0.02 0.00 0.02 0.00 -0.53 0.00 0.00 54.79 54.26 3hox n ASP 894 Cb 0.51 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.87 3hox n ASP 894 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3hox n ASP 895 N 0.00 1.27 0.00 -2.24 10.43 -1.26 -4.04 116.55 120.71 3hox n ASP 895 Ca 0.00 0.00 0.07 0.00 2.57 0.00 0.00 54.79 57.43 3hox n ASP 895 Cb 0.00 1.42 0.36 0.00 1.84 0.00 0.00 41.12 44.74 3hox n ASP 895 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 3hox n ASP 896 N -2.25 0.00 -0.03 -2.24 5.68 -1.26 -4.07 116.55 112.38 3hox n ASP 896 Ca -0.11 0.21 0.00 0.00 -0.50 0.00 0.00 54.79 54.39 3hox n ASP 896 Cb 0.63 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 3hox n ASP 896 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hox n GLY 897 N 0.01 1.24 3.26 6.12 0.00 -1.24 -4.00 105.19 110.57 3hox n GLY 897 Ca 0.06 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 3hox n GLY 897 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hox s LEU 898 N -0.06 2.16 0.27 0.99 1.43 -1.26 -1.65 118.68 120.56 3hox s LEU 898 Ca 0.00 -1.17 0.03 0.00 -1.03 0.00 0.00 54.13 51.96 3hox s LEU 898 Cb 0.00 -0.13 -0.03 0.00 0.03 0.00 0.00 46.19 46.06 3hox s LEU 898 CO 0.00 -0.54 0.42 -0.63 0.23 0.00 0.00 176.35 175.84 3hox s ILE 899 N -3.58 5.20 0.31 -0.59 1.01 -1.26 -0.51 121.20 121.78 3hox s ILE 899 Ca 0.24 -0.71 -0.25 0.00 0.00 0.00 0.00 60.65 59.94 3hox s ILE 899 Cb 0.06 -3.84 -0.10 0.00 0.01 0.00 0.00 42.46 38.59 3hox s ILE 899 CO 0.05 -0.38 0.90 0.00 0.00 0.00 0.00 174.94 175.51 3hox s ALA 900 N -2.07 3.24 -1.29 9.38 0.00 -1.26 -4.87 121.76 124.90 3hox s ALA 900 Ca 0.37 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.77 3hox s ALA 900 Cb -0.10 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.92 3hox s ALA 900 CO 0.31 0.20 0.72 -2.30 0.00 0.00 0.00 175.76 174.70 3hox n PRO 901 N 0.54 0.00 -0.01 0.00 -0.02 -1.26 -2.47 135.00 131.79 3hox n PRO 901 Ca 0.01 0.25 0.09 0.00 -2.02 0.00 0.00 63.50 61.83 3hox n PRO 901 Cb 0.50 -1.53 -0.14 0.00 -0.02 0.00 0.00 33.50 32.31 3hox n PRO 901 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hox n GLY 902 N -1.22 -0.84 3.59 -1.23 0.00 -1.26 -3.92 105.19 100.30 3hox n GLY 902 Ca 0.00 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 3hox n GLY 902 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hox n VAL 903 N -2.04 2.90 -3.70 1.61 0.31 -1.03 -4.67 118.33 111.71 3hox n VAL 903 Ca -0.02 -0.50 -0.37 0.00 -0.01 0.00 0.00 64.34 63.44 3hox n VAL 903 Cb 0.46 -1.07 -0.11 0.00 -0.91 0.00 0.00 33.84 32.21 3hox n VAL 903 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3hox s ARG 904 N -2.32 3.87 0.00 5.55 3.52 -1.26 -0.27 118.95 128.03 3hox s ARG 904 Ca 0.69 -0.37 0.00 0.00 -0.13 0.00 0.00 55.73 55.92 3hox s ARG 904 Cb -0.48 -3.49 0.00 0.00 -1.56 0.00 0.00 34.95 29.42 3hox s ARG 904 CO 0.52 -0.11 0.00 1.33 -0.81 0.00 0.00 175.30 176.24 3hox n VAL 905 N 4.76 0.00 0.00 7.11 0.24 0.68 -4.96 118.33 126.16 3hox n VAL 905 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 3hox n VAL 905 Cb 0.52 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 32.24 3hox n VAL 905 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3hox n SER 906 N -1.95 0.00 0.00 -1.34 3.41 -1.26 -3.54 113.62 108.95 3hox n SER 906 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3hox n SER 906 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3hox n SER 906 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hox n GLY 907 N 0.00 0.00 0.86 5.00 0.00 -1.26 -4.45 105.19 105.34 3hox n GLY 907 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3hox n GLY 907 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hox n GLU 908 N 0.00 1.87 -1.54 1.61 1.02 -1.26 -4.20 120.64 118.15 3hox n GLU 908 Ca 0.00 -3.09 -0.41 0.00 -0.02 0.00 0.00 57.16 53.64 3hox n GLU 908 Cb 0.00 -1.74 0.01 0.00 -0.02 0.00 0.00 31.44 29.70 3hox n GLU 908 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3hox n ASP 909 N -1.07 0.18 -4.80 1.62 9.92 -1.26 -4.25 116.55 116.88 3hox n ASP 909 Ca 0.26 0.95 -0.34 0.00 -0.53 0.00 0.00 54.79 55.13 3hox n ASP 909 Cb 0.89 -1.24 -0.05 0.00 -0.64 0.00 0.00 41.12 40.08 3hox n ASP 909 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3hox s VAL 910 N -1.39 3.99 -0.01 2.53 1.01 -1.03 -2.03 120.40 123.48 3hox s VAL 910 Ca 0.65 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.91 3hox s VAL 910 Cb -0.56 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 3hox s VAL 910 CO 0.56 -0.24 0.01 -0.38 0.00 0.00 0.00 175.10 175.06 3hox n ILE 911 N -0.74 0.00 -3.75 2.22 5.41 -0.50 -4.72 119.36 117.27 3hox n ILE 911 Ca 0.08 -0.21 -0.13 0.00 1.00 0.00 0.00 62.75 63.50 3hox n ILE 911 Cb 0.53 0.70 -0.11 0.00 -0.71 0.00 0.00 39.64 40.05 3hox n ILE 911 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3hox s ILE 912 N -1.63 -0.00 -0.20 1.39 1.01 -1.20 -4.02 121.20 116.56 3hox s ILE 912 Ca -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.65 3hox s ILE 912 Cb 0.00 -0.46 0.01 0.00 0.01 0.00 0.00 42.46 42.02 3hox s ILE 912 CO 0.02 0.01 -0.12 -0.83 0.00 0.00 0.00 174.94 174.02 3hox s GLY 913 N 0.34 1.50 0.03 6.18 0.00 -0.66 -1.31 107.32 113.40 3hox s GLY 913 Ca -0.01 -1.18 -0.04 0.00 0.00 0.00 0.00 44.72 43.48 3hox s GLY 913 CO -0.01 0.33 0.06 1.25 0.00 0.00 0.00 173.10 174.73 3hox s LYS 914 N 1.35 0.53 0.01 2.90 2.20 -1.24 -1.36 119.74 124.12 3hox s LYS 914 Ca 0.05 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 54.89 3hox s LYS 914 Cb -0.14 0.20 -0.01 0.00 -1.51 0.00 0.00 37.83 36.37 3hox s LYS 914 CO -0.08 -0.12 -0.02 0.95 -0.36 0.00 0.00 175.35 175.72 3hox s THR 915 N -2.48 0.09 -0.17 3.43 -4.23 0.12 -1.22 115.64 111.19 3hox s THR 915 Ca -0.06 -0.53 -0.04 0.00 -1.18 0.00 0.00 61.69 59.87 3hox s THR 915 Cb -0.02 -0.18 -0.03 0.00 1.34 0.00 0.00 72.50 73.62 3hox s THR 915 CO -0.04 -0.28 -0.02 -0.89 -0.54 0.00 0.00 174.62 172.85 3hox s THR 916 N -0.84 3.96 -0.28 3.99 2.01 -0.47 -2.14 115.64 121.87 3hox s THR 916 Ca -0.09 -0.33 -0.19 0.00 0.31 0.00 0.00 61.69 61.39 3hox s THR 916 Cb -0.06 -2.75 -0.02 0.00 0.01 0.00 0.00 72.50 69.68 3hox s THR 916 CO -0.01 0.48 0.56 -2.16 -0.69 0.00 0.00 174.62 172.80 3hox s PRO 917 N 0.50 4.01 -0.27 4.92 0.04 -1.26 -3.74 135.00 139.20 3hox s PRO 917 Ca -0.02 0.32 -0.14 0.00 0.04 0.00 0.00 61.00 61.19 3hox s PRO 917 Cb -0.14 -3.68 0.09 0.00 0.04 0.00 0.00 34.50 30.81 3hox s PRO 917 CO 0.02 -0.43 0.64 0.42 0.04 0.00 0.00 177.00 177.69 3hox s ILE 918 N 2.41 -0.21 -0.06 0.56 1.01 -1.26 -4.98 121.20 118.67 3hox s ILE 918 Ca 0.23 0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.91 3hox s ILE 918 Cb -0.15 -0.94 0.02 0.00 0.01 0.00 0.00 42.46 41.40 3hox s ILE 918 CO 0.10 0.01 -0.08 -0.55 0.00 0.00 0.00 174.94 174.41 3hox s SER 919 N 1.87 1.51 0.00 3.58 0.15 -1.26 -5.00 113.70 114.56 3hox s SER 919 Ca -0.09 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.33 3hox s SER 919 Cb -0.07 -0.67 0.00 0.00 -1.71 0.00 0.00 66.02 63.57 3hox s SER 919 CO -0.19 -0.03 0.07 -1.54 1.20 0.00 0.00 173.24 172.76 3hox n SER 933 N 4.09 0.14 -3.89 5.45 3.41 -0.13 -5.36 113.62 117.34 3hox n SER 933 Ca -0.22 -0.77 -0.39 0.00 -0.26 0.00 0.00 58.87 57.23 3hox n SER 933 Cb 0.51 0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 64.49 3hox n SER 933 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hox n LYS 934 N -0.05 3.94 -2.70 4.33 5.02 -1.05 -4.71 118.16 122.94 3hox n LYS 934 Ca 0.00 -4.58 -0.42 0.00 -2.02 0.00 0.00 58.31 51.29 3hox n LYS 934 Cb 0.15 -2.45 -0.03 0.00 -0.02 0.00 0.00 35.03 32.69 3hox n LYS 934 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3hox s ARG 935 N -2.61 4.38 0.45 1.97 1.70 -1.25 -4.05 118.95 119.54 3hox s ARG 935 Ca 0.33 1.35 -0.21 0.00 -0.47 0.00 0.00 55.73 56.73 3hox s ARG 935 Cb 0.06 -3.56 -0.10 0.00 -0.57 0.00 0.00 34.95 30.78 3hox s ARG 935 CO 0.06 -0.37 0.99 0.34 -1.08 0.00 0.00 175.30 175.24 3hox s ASP 936 N 1.12 6.71 0.00 -2.89 -1.08 0.11 -1.37 116.67 119.26 3hox s ASP 936 Ca 0.47 1.81 0.17 0.00 -0.52 0.00 0.00 52.55 54.48 3hox s ASP 936 Cb -0.18 -2.55 0.29 0.00 -1.46 0.00 0.00 42.92 39.02 3hox s ASP 936 CO 0.15 -0.52 1.10 0.00 0.52 0.00 0.00 175.17 176.42 3hox n ALA 937 N -0.68 2.45 -0.96 3.66 0.00 -0.36 -4.81 120.51 119.81 3hox n ALA 937 Ca 0.08 -1.83 -0.29 0.00 0.00 0.00 0.00 53.44 51.40 3hox n ALA 937 Cb 0.53 -0.62 0.20 0.00 0.00 0.00 0.00 19.45 19.56 3hox n ALA 937 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3hox s SER 938 N -1.63 2.06 -0.34 0.00 0.01 -1.22 -4.37 113.70 108.21 3hox s SER 938 Ca 0.23 1.30 0.03 0.00 1.31 0.00 0.00 55.95 58.81 3hox s SER 938 Cb 0.26 -2.00 0.10 0.00 0.21 0.00 0.00 66.02 64.59 3hox s SER 938 CO -0.11 -3.50 0.07 -0.89 0.41 0.00 0.00 173.24 169.22 3hox s THR 939 N -2.80 1.98 0.67 1.44 2.01 -0.43 -4.94 115.64 113.57 3hox s THR 939 Ca 0.66 -2.19 -0.11 0.00 0.31 0.00 0.00 61.69 60.36 3hox s THR 939 Cb -0.21 -2.47 -0.01 0.00 0.01 0.00 0.00 72.50 69.83 3hox s THR 939 CO 0.60 -0.63 1.05 -2.16 -0.69 0.00 0.00 174.62 172.79 3hox s PRO 940 N 0.99 3.10 0.25 4.92 0.04 -1.26 -1.41 135.00 141.62 3hox s PRO 940 Ca 0.11 0.95 -0.30 0.00 0.04 0.00 0.00 61.00 61.81 3hox s PRO 940 Cb -0.19 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.25 3hox s PRO 940 CO -0.11 -0.97 1.13 -1.17 0.04 0.00 0.00 177.00 175.91 3hox s LEU 941 N -5.35 4.52 -0.46 -3.56 2.96 -0.86 -4.84 118.68 111.09 3hox s LEU 941 Ca 0.58 2.25 -0.41 0.00 -0.22 0.00 0.00 54.13 56.33 3hox s LEU 941 Cb -0.14 -3.62 -0.17 0.00 0.50 0.00 0.00 46.19 42.77 3hox s LEU 941 CO 0.52 -0.22 2.17 0.54 -1.32 0.00 0.00 176.35 178.04 3hox n ARG 942 N 1.64 0.32 -0.26 1.98 5.12 -1.26 -4.43 116.66 119.76 3hox n ARG 942 Ca 0.01 0.09 0.07 0.00 -1.93 0.00 0.00 57.85 56.08 3hox n ARG 942 Cb 0.45 -1.79 0.15 0.00 -1.16 0.00 0.00 32.46 30.11 3hox n ARG 942 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3hox n SER 943 N 8.28 -0.19 -0.12 0.55 3.41 -1.26 -0.63 113.62 123.66 3hox n SER 943 Ca 0.51 1.27 -0.09 0.00 -0.26 0.00 0.00 58.87 60.30 3hox n SER 943 Cb 0.04 -0.42 -0.01 0.00 -0.26 0.00 0.00 64.21 63.57 3hox n SER 943 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3hox h THR 944 N 0.00 1.15 -4.38 6.66 1.35 -1.87 -3.44 112.91 112.38 3hox h THR 944 Ca 0.40 -0.41 -0.48 0.00 -0.55 0.00 0.00 66.41 65.37 3hox h THR 944 Cb 0.70 0.74 0.08 0.00 -1.73 0.00 0.00 68.15 67.95 3hox h THR 944 CO -0.74 0.16 0.37 -1.61 -0.25 0.00 0.00 175.52 173.45 3hox s GLU 945 N -5.81 2.45 0.15 4.72 2.02 0.20 -5.04 118.70 117.39 3hox s GLU 945 Ca -0.13 0.20 -0.23 0.00 0.02 0.00 0.00 54.97 54.83 3hox s GLU 945 Cb 0.10 -2.03 0.07 0.00 0.10 0.00 0.00 34.13 32.37 3hox s GLU 945 CO 0.73 -1.24 0.62 0.54 0.02 0.00 0.00 175.26 175.93 3hox s ASN 946 N -4.46 -0.55 0.00 -0.19 4.22 -1.26 -4.48 114.94 108.22 3hox s ASN 946 Ca 0.59 -0.01 0.00 0.00 -2.14 0.00 0.00 52.86 51.30 3hox s ASN 946 Cb -0.11 0.59 0.00 0.00 1.28 0.00 0.00 41.25 43.01 3hox s ASN 946 CO 0.49 -0.95 0.00 0.61 -2.04 0.00 0.00 177.10 175.21 3hox n GLY 947 N -0.37 -0.70 3.12 0.45 0.00 -1.23 -4.88 105.19 101.59 3hox n GLY 947 Ca -0.16 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 3hox n GLY 947 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hox s ILE 948 N -4.00 1.32 0.45 -0.61 1.01 -0.78 -0.23 121.20 118.36 3hox s ILE 948 Ca 0.00 -0.67 -0.25 0.00 0.00 0.00 0.00 60.65 59.73 3hox s ILE 948 Cb 0.00 -1.13 -0.08 0.00 0.01 0.00 0.00 42.46 41.26 3hox s ILE 948 CO 0.00 0.38 1.38 -0.69 0.00 0.00 0.00 174.94 176.01 3hox s VAL 949 N -0.06 2.26 0.00 2.92 1.01 0.62 0.10 120.40 127.24 3hox s VAL 949 Ca -0.01 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.19 3hox s VAL 949 Cb -0.10 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3hox s VAL 949 CO 0.01 0.03 0.00 -0.67 0.00 0.00 0.00 175.10 174.47 3hox n ASP 950 N -0.22 3.92 0.00 3.32 2.03 0.20 -4.35 116.55 121.45 3hox n ASP 950 Ca 0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.36 3hox n ASP 950 Cb 0.43 0.72 0.00 0.00 -0.72 0.00 0.00 41.12 41.55 3hox n ASP 950 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 3hox n GLN 951 N -1.26 0.00 -3.38 -0.67 7.27 -1.10 -4.96 117.38 113.28 3hox n GLN 951 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 57.00 56.87 3hox n GLN 951 Cb 0.06 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.71 3hox n GLN 951 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3hox s VAL 952 N 0.00 2.57 -0.29 1.69 1.01 -1.26 -1.97 120.40 122.14 3hox s VAL 952 Ca 0.00 -1.22 -0.20 0.00 0.00 0.00 0.00 61.98 60.56 3hox s VAL 952 Cb 0.00 -2.79 0.18 0.00 0.00 0.00 0.00 36.38 33.76 3hox s VAL 952 CO 0.00 0.00 1.22 -1.48 0.00 0.00 0.00 175.10 174.84 3hox s LEU 953 N -4.28 -0.22 -0.20 3.92 2.34 -1.19 -5.01 118.68 114.05 3hox s LEU 953 Ca 0.50 0.38 0.01 0.00 0.06 0.00 0.00 54.13 55.09 3hox s LEU 953 Cb -0.05 1.37 0.04 0.00 -0.56 0.00 0.00 46.19 46.98 3hox s LEU 953 CO 0.30 -0.06 -0.12 -0.69 -1.06 0.00 0.00 176.35 174.71 3hox s VAL 954 N 0.67 1.76 0.47 1.48 1.01 -1.26 -2.86 120.40 121.67 3hox s VAL 954 Ca -0.02 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 60.98 3hox s VAL 954 Cb -0.04 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 3hox s VAL 954 CO -0.12 0.24 0.03 -0.89 0.00 0.00 0.00 175.10 174.36 3hox s THR 955 N 1.36 1.57 -0.10 3.92 2.01 0.63 -4.97 115.64 120.06 3hox s THR 955 Ca -0.00 -1.96 -0.09 0.00 0.31 0.00 0.00 61.69 59.94 3hox s THR 955 Cb -0.16 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 3hox s THR 955 CO -0.09 0.00 0.20 -0.89 -0.69 0.00 0.00 174.62 173.16 3hox s THR 956 N -2.79 5.39 -0.16 -0.82 2.01 -1.26 -0.52 115.64 117.49 3hox s THR 956 Ca 0.20 0.36 -0.11 0.00 0.31 0.00 0.00 61.69 62.45 3hox s THR 956 Cb 0.05 -3.48 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 3hox s THR 956 CO 0.10 0.60 0.22 0.21 -0.69 0.00 0.00 174.62 175.06 3hox s ASN 957 N -0.97 6.37 0.00 3.53 2.47 0.59 -4.86 114.94 122.08 3hox s ASN 957 Ca 0.17 0.43 0.00 0.00 0.42 0.00 0.00 52.86 53.88 3hox s ASN 957 Cb -0.13 -2.13 0.00 0.00 -1.45 0.00 0.00 41.25 37.54 3hox s ASN 957 CO 0.06 0.20 0.00 0.00 -3.72 0.00 0.00 177.10 173.64 3hox n GLN 958 N 3.16 0.00 0.00 0.43 6.02 -1.26 0.35 117.38 126.08 3hox n GLN 958 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 3hox n GLN 958 Cb 0.52 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.78 3hox n GLN 958 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3hox n ASP 959 N -0.76 1.92 -1.46 1.08 5.75 -1.26 -3.33 116.55 118.48 3hox n ASP 959 Ca 0.00 -1.83 -0.16 0.00 -0.01 0.00 0.00 54.79 52.79 3hox n ASP 959 Cb 0.00 -0.46 -0.04 0.00 -1.03 0.00 0.00 41.12 39.59 3hox n ASP 959 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hox n GLY 960 N 0.32 0.77 3.91 6.12 0.00 1.09 -5.01 105.19 112.39 3hox n GLY 960 Ca 0.00 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 3hox n GLY 960 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hox s LEU 961 N -3.99 4.05 -0.45 0.99 1.43 -1.01 -4.70 118.68 114.99 3hox s LEU 961 Ca 0.00 0.64 -0.28 0.00 -1.03 0.00 0.00 54.13 53.46 3hox s LEU 961 Cb 0.00 -3.46 -0.01 0.00 0.03 0.00 0.00 46.19 42.75 3hox s LEU 961 CO 0.00 -0.22 1.67 -0.54 0.23 0.00 0.00 176.35 177.49 3hox s LYS 962 N -3.73 3.22 -0.13 1.70 1.02 -1.26 -0.30 119.74 120.26 3hox s LYS 962 Ca 0.43 0.99 -0.02 0.00 0.02 0.00 0.00 55.97 57.39 3hox s LYS 962 Cb -0.10 -4.19 -0.02 0.00 -0.52 0.00 0.00 37.83 32.99 3hox s LYS 962 CO 0.32 -2.00 -0.07 0.12 -0.92 0.00 0.00 175.35 172.79 3hox s PHE 963 N 6.94 2.95 0.02 3.18 5.36 0.32 -1.94 117.98 134.82 3hox s PHE 963 Ca 0.69 -0.30 -0.05 0.00 -0.96 0.00 0.00 56.93 56.31 3hox s PHE 963 Cb -0.16 -1.87 -0.01 0.00 -0.34 0.00 0.00 43.02 40.64 3hox s PHE 963 CO 0.29 0.01 0.08 0.54 -1.46 0.00 0.00 175.22 174.69 3hox s VAL 964 N 0.06 0.12 -0.03 3.12 0.11 -0.41 -0.27 120.40 123.11 3hox s VAL 964 Ca -0.02 -0.96 0.01 0.00 -2.93 0.00 0.00 61.98 58.08 3hox s VAL 964 Cb -0.14 -0.66 0.01 0.00 -1.53 0.00 0.00 36.38 34.06 3hox s VAL 964 CO 0.03 -0.53 -0.05 -0.54 -3.33 0.00 0.00 175.10 170.68 3hox s LYS 965 N -2.07 0.67 0.09 1.54 1.02 -1.13 -1.31 119.74 118.54 3hox s LYS 965 Ca -0.10 -0.14 0.06 0.00 0.02 0.00 0.00 55.97 55.82 3hox s LYS 965 Cb -0.04 -0.68 -0.04 0.00 -0.52 0.00 0.00 37.83 36.55 3hox s LYS 965 CO -0.02 0.00 -0.09 0.08 -0.92 0.00 0.00 175.35 174.40 3hox s VAL 966 N 0.51 3.43 -0.14 3.17 1.01 0.85 -3.14 120.40 126.09 3hox s VAL 966 Ca -0.06 -1.18 -0.03 0.00 0.00 0.00 0.00 61.98 60.70 3hox s VAL 966 Cb -0.10 -2.59 0.05 0.00 0.00 0.00 0.00 36.38 33.74 3hox s VAL 966 CO -0.00 0.16 0.05 -0.60 0.00 0.00 0.00 175.10 174.71 3hox s ARG 967 N -2.09 0.32 0.01 2.72 3.52 -0.83 -1.55 118.95 121.04 3hox s ARG 967 Ca 0.21 -0.06 -0.12 0.00 -0.13 0.00 0.00 55.73 55.62 3hox s ARG 967 Cb -0.11 -1.52 -0.05 0.00 -1.56 0.00 0.00 34.95 31.71 3hox s ARG 967 CO 0.13 -0.53 0.37 0.08 -0.81 0.00 0.00 175.30 174.54 3hox s VAL 968 N 2.03 5.10 0.06 7.11 1.01 -0.85 0.62 120.40 135.48 3hox s VAL 968 Ca 0.02 0.66 0.06 0.00 0.00 0.00 0.00 61.98 62.72 3hox s VAL 968 Cb -0.15 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3hox s VAL 968 CO -0.07 0.51 -0.09 -0.60 0.00 0.00 0.00 175.10 174.84 3hox s ARG 969 N -1.30 2.30 -0.02 2.72 3.52 0.11 -2.23 118.95 124.06 3hox s ARG 969 Ca 0.25 -0.89 -0.16 0.00 -0.13 0.00 0.00 55.73 54.80 3hox s ARG 969 Cb -0.15 -2.37 0.03 0.00 -1.56 0.00 0.00 34.95 30.89 3hox s ARG 969 CO 0.14 0.55 0.34 0.99 -0.81 0.00 0.00 175.30 176.50 3hox s THR 970 N -1.10 0.05 -0.11 4.11 2.01 0.27 -1.87 115.64 119.00 3hox s THR 970 Ca 0.19 -0.42 -0.01 0.00 0.31 0.00 0.00 61.69 61.75 3hox s THR 970 Cb -0.11 -0.63 -0.03 0.00 0.01 0.00 0.00 72.50 71.74 3hox s THR 970 CO 0.10 -0.23 -0.06 -0.89 -0.69 0.00 0.00 174.62 172.86 3hox s THR 971 N -1.25 3.76 -0.18 -0.82 2.01 -1.26 0.60 115.64 118.51 3hox s THR 971 Ca -0.13 -0.43 0.01 0.00 0.31 0.00 0.00 61.69 61.45 3hox s THR 971 Cb -0.05 -2.59 0.01 0.00 0.01 0.00 0.00 72.50 69.88 3hox s THR 971 CO 0.04 0.55 -0.18 -0.54 -0.69 0.00 0.00 174.62 173.80 3hox s LYS 972 N -0.19 3.05 0.18 4.92 1.02 -0.61 -4.97 119.74 123.13 3hox s LYS 972 Ca 0.03 -0.81 -0.04 0.00 0.02 0.00 0.00 55.97 55.17 3hox s LYS 972 Cb -0.13 -2.60 -0.05 0.00 -0.52 0.00 0.00 37.83 34.53 3hox s LYS 972 CO 0.03 -0.17 0.41 0.42 -0.92 0.00 0.00 175.35 175.11 3hox s ILE 973 N 1.22 5.15 0.17 2.17 1.01 -1.26 -2.92 121.20 126.75 3hox s ILE 973 Ca 0.03 -0.04 -0.32 0.00 0.00 0.00 0.00 60.65 60.32 3hox s ILE 973 Cb -0.14 -3.66 -0.11 0.00 0.01 0.00 0.00 42.46 38.57 3hox s ILE 973 CO -0.10 -0.06 1.63 -2.16 0.00 0.00 0.00 174.94 174.25 3hox s PRO 974 N -2.93 4.18 0.10 2.79 0.04 -1.26 -4.99 135.00 132.93 3hox s PRO 974 Ca 0.41 2.45 0.00 0.00 0.04 0.00 0.00 61.00 63.90 3hox s PRO 974 Cb -0.12 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.26 3hox s PRO 974 CO 0.26 -0.67 0.02 0.94 0.04 0.00 0.00 177.00 177.59 3hox n GLN 975 N 4.11 1.65 0.21 4.56 7.27 -1.26 -5.05 117.38 128.86 3hox n GLN 975 Ca 0.15 -0.73 0.09 0.00 0.07 0.00 0.00 57.00 56.58 3hox n GLN 975 Cb 0.37 0.17 0.32 0.00 2.41 0.00 0.00 30.24 33.51 3hox n GLN 975 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 3hox h ILE 976 N 0.92 0.49 -0.02 1.69 2.04 -1.94 -3.21 117.51 117.49 3hox h ILE 976 Ca -0.08 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.44 3hox h ILE 976 Cb 0.25 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 3hox h ILE 976 CO 0.13 0.24 -0.31 0.61 0.00 0.00 0.00 178.15 178.81 3hox n GLY 977 N 0.58 0.11 3.71 5.37 0.00 -1.26 -3.65 105.19 110.06 3hox n GLY 977 Ca 0.01 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 3hox n GLY 977 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hox s ASP 978 N -2.36 3.77 0.07 1.61 1.11 -1.21 -3.87 116.67 115.80 3hox s ASP 978 Ca 0.23 2.20 0.06 0.00 0.18 0.00 0.00 52.55 55.21 3hox s ASP 978 Cb 0.19 -2.57 -0.04 0.00 1.07 0.00 0.00 42.92 41.57 3hox s ASP 978 CO 0.49 -2.54 -0.07 -0.75 1.18 0.00 0.00 175.17 173.49 3hox s LYS 979 N -4.36 2.33 0.19 8.23 2.20 -1.25 -1.13 119.74 125.96 3hox s LYS 979 Ca 0.69 -0.90 -0.11 0.00 -0.36 0.00 0.00 55.97 55.29 3hox s LYS 979 Cb -0.24 -2.41 -0.00 0.00 -1.51 0.00 0.00 37.83 33.67 3hox s LYS 979 CO 0.52 0.54 0.37 -0.06 -0.36 0.00 0.00 175.35 176.35 3hox s PHE 980 N -1.17 0.34 -0.06 4.03 0.40 -0.11 -3.51 117.98 117.91 3hox s PHE 980 Ca 0.21 -0.70 -0.27 0.00 -0.60 0.00 0.00 56.93 55.57 3hox s PHE 980 Cb -0.11 0.06 0.06 0.00 0.51 0.00 0.00 43.02 43.53 3hox s PHE 980 CO 0.13 -0.82 0.60 0.00 0.70 0.00 0.00 175.22 175.83 3hox s ALA 981 N -3.98 -1.54 1.00 5.36 0.00 0.35 -1.89 121.76 121.06 3hox s ALA 981 Ca 0.18 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.29 3hox s ALA 981 Cb 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.07 3hox s ALA 981 CO 0.03 -0.34 0.00 -1.13 0.00 0.00 0.00 175.76 174.31 3hox n SER 982 N 1.14 0.00 -0.87 0.00 3.41 -1.26 0.11 113.62 116.14 3hox n SER 982 Ca -0.19 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.43 3hox n SER 982 Cb 0.57 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.72 3hox n SER 982 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hox n ARG 983 N 0.00 1.82 -2.77 4.33 1.74 -1.26 -4.55 116.66 115.97 3hox n ARG 983 Ca 0.00 -3.13 -0.13 0.00 -0.77 0.00 0.00 57.85 53.82 3hox n ARG 983 Cb 0.00 -1.73 0.01 0.00 -1.02 0.00 0.00 32.46 29.72 3hox n ARG 983 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3hox n HIS 984 N -1.09 1.22 -4.18 -1.55 8.25 -1.26 -4.70 115.22 111.91 3hox n HIS 984 Ca 0.26 -3.08 -0.36 0.00 -0.26 0.00 0.00 57.72 54.28 3hox n HIS 984 Cb 0.89 -0.37 -0.05 0.00 1.12 0.00 0.00 29.99 31.58 3hox n HIS 984 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hox n GLY 985 N -0.03 -0.43 2.59 -1.41 0.00 -1.25 -4.82 105.19 99.85 3hox n GLY 985 Ca 0.16 0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 3hox n GLY 985 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hox n GLN 986 N -4.00 2.84 -1.20 1.61 -0.06 -1.26 -4.92 117.38 110.39 3hox n GLN 986 Ca 0.09 -3.56 -0.34 0.00 -2.00 0.00 0.00 57.00 51.19 3hox n GLN 986 Cb 0.47 -2.28 0.12 0.00 -4.06 0.00 0.00 30.24 24.50 3hox n GLN 986 CO 0.00 0.00 0.00 -1.59 -0.20 0.00 0.00 177.06 175.27 3hox s LYS 987 N -3.90 1.76 -0.18 3.69 0.00 -1.26 -3.98 119.74 115.86 3hox s LYS 987 Ca 0.57 1.78 -0.35 0.00 0.00 0.00 0.00 55.97 57.97 3hox s LYS 987 Cb 0.46 -1.79 0.14 0.00 0.00 0.00 0.00 37.83 36.64 3hox s LYS 987 CO -0.21 -2.13 1.20 0.20 0.00 0.00 0.00 175.35 174.42 3hox s GLY 988 N -2.09 -0.30 0.23 0.59 0.00 -0.79 -4.87 107.32 100.10 3hox s GLY 988 Ca 0.74 1.57 0.11 0.00 0.00 0.00 0.00 44.72 47.15 3hox s GLY 988 CO 0.49 0.52 -0.21 -0.51 0.00 0.00 0.00 173.10 173.40 3hox s THR 989 N -2.43 2.49 0.97 0.90 -4.23 -1.22 -0.94 115.64 111.19 3hox s THR 989 Ca 0.09 -2.17 -0.12 0.00 -1.18 0.00 0.00 61.69 58.31 3hox s THR 989 Cb -0.01 -2.25 0.17 0.00 1.34 0.00 0.00 72.50 71.75 3hox s THR 989 CO -0.05 -0.25 1.09 -0.63 -0.54 0.00 0.00 174.62 174.24 3hox s ILE 990 N -2.06 2.33 0.00 2.99 1.01 -0.28 -0.70 121.20 124.48 3hox s ILE 990 Ca 0.25 0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.01 3hox s ILE 990 Cb -0.07 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.90 3hox s ILE 990 CO 0.13 -0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.54 3hox n GLY 991 N -0.75 0.00 3.62 6.18 0.00 -0.71 -4.58 105.19 108.96 3hox n GLY 991 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 3hox n GLY 991 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hox s ILE 992 N -0.87 0.00 -0.00 -0.61 2.07 -1.26 -4.98 121.20 115.54 3hox s ILE 992 Ca 0.00 -0.38 0.01 0.00 -1.41 0.00 0.00 60.65 58.87 3hox s ILE 992 Cb 0.00 -1.48 0.00 0.00 0.13 0.00 0.00 42.46 41.11 3hox s ILE 992 CO 0.00 0.00 -0.02 0.42 -1.91 0.00 0.00 174.94 173.43 3hox s THR 993 N -3.44 0.18 0.24 4.00 -4.23 -1.26 -1.90 115.64 109.23 3hox s THR 993 Ca 0.07 -0.08 0.08 0.00 -1.18 0.00 0.00 61.69 60.58 3hox s THR 993 Cb -0.02 -0.17 -0.05 0.00 1.34 0.00 0.00 72.50 73.60 3hox s THR 993 CO -0.04 0.06 -0.13 -0.31 -0.54 0.00 0.00 174.62 173.67 3hox s TYR 994 N 0.04 1.88 0.28 3.99 1.51 -1.19 -4.81 117.35 119.04 3hox s TYR 994 Ca -0.00 -0.57 0.07 0.00 -1.01 0.00 0.00 57.07 55.55 3hox s TYR 994 Cb -0.02 -0.93 -0.03 0.00 -0.11 0.00 0.00 41.96 40.87 3hox s TYR 994 CO -0.00 0.39 0.30 1.03 -1.11 0.00 0.00 175.55 176.16 3hox s ARG 995 N -3.65 3.05 0.33 -0.62 0.52 -1.26 0.38 118.95 117.69 3hox s ARG 995 Ca 0.26 -1.02 0.16 0.00 -0.52 0.00 0.00 55.73 54.61 3hox s ARG 995 Cb 0.00 -2.67 1.13 0.00 0.52 0.00 0.00 34.95 33.93 3hox s ARG 995 CO 0.10 0.29 1.44 0.54 0.02 0.00 0.00 175.30 177.69 3hox n ARG 996 N -1.35 -0.06 0.24 3.54 1.74 -1.26 0.43 116.66 119.94 3hox n ARG 996 Ca -0.06 1.28 0.16 0.00 -0.77 0.00 0.00 57.85 58.46 3hox n ARG 996 Cb 0.58 -2.24 0.84 0.00 -1.02 0.00 0.00 32.46 30.61 3hox n ARG 996 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3hox h GLU 997 N 0.00 0.00 0.00 5.56 3.07 -1.94 -2.68 114.58 118.58 3hox h GLU 997 Ca 0.73 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 59.25 3hox h GLU 997 Cb 1.88 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 29.73 3hox h GLU 997 CO -0.73 0.00 -2.34 -0.25 -1.40 0.00 0.00 179.01 174.29 3hox n ASP 998 N -3.91 0.12 -4.71 1.42 8.00 0.17 -4.40 116.55 113.24 3hox n ASP 998 Ca -0.00 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.13 3hox n ASP 998 Cb 0.23 1.02 0.08 0.00 -0.02 0.00 0.00 41.12 42.43 3hox n ASP 998 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 3hox n MET 999 N -2.71 0.93 -1.75 -1.24 1.56 -0.88 -4.16 117.12 108.86 3hox n MET 999 Ca -0.31 0.38 -0.31 0.00 -0.27 0.00 0.00 57.70 57.19 3hox n MET 999 Cb 1.12 -2.47 0.04 0.00 2.15 0.00 0.00 33.22 34.06 3hox n MET 999 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 3hox s PRO 1000N -3.43 3.08 0.16 2.12 0.04 -1.26 -3.86 135.00 131.85 3hox s PRO 1000Ca 0.80 0.74 -0.09 0.00 0.04 0.00 0.00 61.00 62.50 3hox s PRO 1000Cb -0.37 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.14 3hox s PRO 1000CO 0.43 -0.94 0.27 -0.59 0.04 0.00 0.00 177.00 176.21 3hox s PHE 1001N -3.17 0.38 -0.15 0.56 -0.12 -0.72 -4.20 117.98 110.56 3hox s PHE 1001Ca 0.57 -0.75 -0.05 0.00 -0.05 0.00 0.00 56.93 56.65 3hox s PHE 1001Cb -0.12 -0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.17 3hox s PHE 1001CO 0.54 -0.70 0.04 0.95 -0.05 0.00 0.00 175.22 176.00 3hox s THR 1002N -3.96 4.63 0.35 -4.49 -4.23 -1.00 0.82 115.64 107.77 3hox s THR 1002Ca 0.16 -0.10 0.32 0.00 -1.18 0.00 0.00 61.69 60.89 3hox s THR 1002Cb 0.04 -3.04 0.47 0.00 1.34 0.00 0.00 72.50 71.31 3hox s THR 1002CO -0.01 0.52 1.00 0.00 -0.54 0.00 0.00 174.62 175.59 3hox n ALA 1003N 2.97 1.21 1.10 3.99 0.00 -1.26 0.20 120.51 128.72 3hox n ALA 1003Ca -0.18 0.42 0.10 0.00 0.00 0.00 0.00 53.44 53.78 3hox n ALA 1003Cb 0.53 -0.73 0.55 0.00 0.00 0.00 0.00 19.45 19.80 3hox n ALA 1003CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3hox n GLU 1004N -3.24 0.44 0.00 0.00 2.13 -1.26 -4.91 120.64 113.81 3hox n GLU 1004Ca 0.28 0.06 0.00 0.00 0.66 0.00 0.00 57.16 58.16 3hox n GLU 1004Cb 1.29 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 31.50 3hox n GLU 1004CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hox n GLY 1005N 0.36 2.88 2.93 8.31 0.00 0.54 -5.05 105.19 115.16 3hox n GLY 1005Ca 0.12 -0.74 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 3hox n GLY 1005CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3hox n ILE 1006N 0.00 0.84 -4.13 -0.61 -5.35 -1.26 -4.52 119.36 104.34 3hox n ILE 1006Ca 0.00 -0.44 -0.09 0.00 -0.27 0.00 0.00 62.75 61.95 3hox n ILE 1006Cb 0.00 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 37.80 3hox n ILE 1006CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3hox s VAL 1007N -1.34 0.18 0.50 7.28 0.11 -1.26 -2.38 120.40 123.50 3hox s VAL 1007Ca 0.53 -1.87 -0.10 0.00 -2.93 0.00 0.00 61.98 57.61 3hox s VAL 1007Cb -0.62 -1.83 -0.05 0.00 -1.53 0.00 0.00 36.38 32.35 3hox s VAL 1007CO 0.54 -0.69 0.88 -2.16 -3.33 0.00 0.00 175.10 170.34 3hox s PRO 1008N -3.99 3.68 -0.18 1.54 0.04 -1.26 -4.89 135.00 129.94 3hox s PRO 1008Ca 0.17 0.53 0.09 0.00 0.04 0.00 0.00 61.00 61.83 3hox s PRO 1008Cb 0.08 -2.26 -0.22 0.00 0.04 0.00 0.00 34.50 32.13 3hox s PRO 1008CO -0.03 -0.27 0.12 -0.25 0.04 0.00 0.00 177.00 176.61 3hox n ASP 1009N -2.04 1.06 -4.34 6.66 8.00 0.53 -4.43 116.55 121.99 3hox n ASP 1009Ca 0.03 0.06 -0.18 0.00 0.71 0.00 0.00 54.79 55.42 3hox n ASP 1009Cb 0.54 0.12 -0.10 0.00 -0.02 0.00 0.00 41.12 41.66 3hox n ASP 1009CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hox s LEU 1010N -6.13 2.30 -0.32 0.64 1.02 -1.24 -0.79 118.68 114.15 3hox s LEU 1010Ca -0.19 -1.19 0.01 0.00 0.02 0.00 0.00 54.13 52.79 3hox s LEU 1010Cb 0.07 -0.36 0.15 0.00 0.02 0.00 0.00 46.19 46.07 3hox s LEU 1010CO 0.75 -0.45 0.34 -0.63 0.02 0.00 0.00 176.35 176.37 3hox s ILE 1011N -3.32 -0.38 0.27 -0.59 1.01 -0.87 -2.30 121.20 115.03 3hox s ILE 1011Ca 0.27 -0.70 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 3hox s ILE 1011Cb 0.05 -0.86 -0.05 0.00 0.01 0.00 0.00 42.46 41.61 3hox s ILE 1011CO 0.08 -0.51 0.52 0.27 0.00 0.00 0.00 174.94 175.30 3hox s ILE 1012N 1.97 5.07 -0.23 2.92 -4.36 -0.71 -2.96 121.20 122.90 3hox s ILE 1012Ca 0.13 -0.09 -0.26 0.00 -0.26 0.00 0.00 60.65 60.17 3hox s ILE 1012Cb -0.14 -3.74 -0.00 0.00 1.25 0.00 0.00 42.46 39.82 3hox s ILE 1012CO -0.20 -0.31 0.89 0.21 0.24 0.00 0.00 174.94 175.77 3hox s ASN 1013N -3.24 6.93 0.50 4.36 3.84 -1.26 -1.87 114.94 124.19 3hox s ASN 1013Ca 0.42 1.15 0.42 0.00 0.21 0.00 0.00 52.86 55.07 3hox s ASN 1013Cb -0.11 -2.47 1.60 0.00 -0.55 0.00 0.00 41.25 39.73 3hox s ASN 1013CO 0.30 -0.54 1.53 -0.81 -2.79 0.00 0.00 177.10 174.79 3hox n PRO 1014N 5.99 -0.01 0.18 0.43 -0.04 -1.26 -1.91 135.00 138.37 3hox n PRO 1014Ca 0.07 1.13 0.16 0.00 -0.04 0.00 0.00 63.50 64.82 3hox n PRO 1014Cb 0.47 -2.44 0.78 0.00 -0.04 0.00 0.00 33.50 32.27 3hox n PRO 1014CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3hox h HIS 1015N 0.00 0.00 -0.92 0.54 3.86 -1.99 -3.09 115.15 113.55 3hox h HIS 1015Ca 0.90 0.00 -0.48 0.00 -1.16 0.00 0.00 60.37 59.63 3hox h HIS 1015Cb 3.32 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 31.61 3hox h HIS 1015CO -0.00 0.00 0.52 0.00 0.86 0.00 0.00 177.93 179.31 3hox n ALA 1016N -2.43 5.96 0.00 2.45 0.00 -0.80 -4.11 120.51 121.59 3hox n ALA 1016Ca 0.02 -2.69 0.00 0.00 0.00 0.00 0.00 53.44 50.78 3hox n ALA 1016Cb 0.33 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 17.97 3hox n ALA 1016CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3hox n ILE 1017N 0.34 0.00 -0.27 0.00 2.08 -1.17 -4.63 119.36 115.71 3hox n ILE 1017Ca 0.44 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.69 3hox n ILE 1017Cb 0.55 -0.38 0.06 0.00 -0.75 0.00 0.00 39.64 39.11 3hox n ILE 1017CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 3hox h PRO 1018N 0.00 1.17 0.19 0.38 0.11 -1.76 0.91 132.00 133.00 3hox h PRO 1018Ca 0.00 -0.24 -0.35 0.00 0.11 0.00 0.00 66.00 65.51 3hox h PRO 1018Cb 0.21 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 31.16 3hox h PRO 1018CO 0.00 0.98 -1.75 0.66 -0.21 0.00 0.00 178.00 177.69 3hox h SER 1019N 1.12 0.63 0.22 -2.05 4.64 -1.90 -3.33 113.55 112.88 3hox h SER 1019Ca 0.25 -0.94 -0.09 0.00 -0.47 0.00 0.00 61.79 60.54 3hox h SER 1019Cb 0.29 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3hox h SER 1019CO -0.01 1.79 -0.35 0.03 -0.87 0.00 0.00 176.83 177.42 3hox h ARG 1020N 0.10 0.19 -6.14 4.77 2.47 -1.81 -3.47 114.38 110.49 3hox h ARG 1020Ca -0.34 -0.08 -0.38 0.00 -1.26 0.00 0.00 59.98 57.92 3hox h ARG 1020Cb 2.10 -0.01 0.08 0.00 -1.65 0.00 0.00 29.97 30.49 3hox h ARG 1020CO 0.18 0.52 -0.85 -1.33 0.56 0.00 0.00 179.97 179.05 3hox n MET 1021N -4.09 -1.31 -3.86 0.04 2.81 0.31 -4.66 117.12 106.36 3hox n MET 1021Ca -0.01 0.62 -0.28 0.00 -1.81 0.00 0.00 57.70 56.22 3hox n MET 1021Cb 0.42 -4.21 -0.12 0.00 -0.71 0.00 0.00 33.22 28.61 3hox n MET 1021CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 3hox s THR 1022N -3.36 2.71 0.22 2.03 -1.32 -1.25 -2.37 115.64 112.30 3hox s THR 1022Ca 0.38 -4.15 -0.03 0.00 -1.21 0.00 0.00 61.69 56.68 3hox s THR 1022Cb -0.13 -2.78 0.02 0.00 -1.51 0.00 0.00 72.50 68.09 3hox s THR 1022CO 0.85 -1.02 1.61 0.58 -2.21 0.00 0.00 174.62 174.43 3hox h VAL 1023N 4.43 1.28 -0.93 5.08 2.07 -1.88 -3.17 116.25 123.13 3hox h VAL 1023Ca 0.15 -1.44 0.27 0.00 0.82 0.00 0.00 66.70 66.50 3hox h VAL 1023Cb 0.77 1.37 -0.16 0.00 -1.52 0.00 0.00 31.29 31.74 3hox h VAL 1023CO 0.69 0.47 0.17 0.00 0.02 0.00 0.00 177.57 178.92 3hox h ALA 1024N 1.08 1.31 -0.00 1.67 0.00 -1.83 0.24 119.26 121.72 3hox h ALA 1024Ca 0.07 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3hox h ALA 1024Cb 0.81 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3hox h ALA 1024CO 0.07 -0.57 -0.04 1.25 0.00 0.00 0.00 179.25 179.97 3hox h HIS 1025N 0.10 -0.11 -0.91 0.00 6.17 -1.86 0.39 115.15 118.93 3hox h HIS 1025Ca 0.60 0.00 0.16 0.00 0.71 0.00 0.00 60.37 61.84 3hox h HIS 1025Cb 1.27 0.05 -0.16 0.00 2.52 0.00 0.00 27.41 31.10 3hox h HIS 1025CO -0.34 -0.04 -0.31 1.28 0.71 0.00 0.00 177.93 179.23 3hox n LEU 1026N -2.73 -0.49 0.04 0.26 4.77 0.71 -0.45 117.00 119.12 3hox n LEU 1026Ca -0.00 1.57 -0.13 0.00 -0.03 0.00 0.00 56.01 57.42 3hox n LEU 1026Cb 0.03 -0.40 -0.08 0.00 -2.33 0.00 0.00 43.42 40.63 3hox n LEU 1026CO 0.01 -1.45 0.78 0.40 -1.33 0.00 0.00 177.39 175.80 3hox h ILE 1027N 0.00 1.08 -1.01 -0.08 2.04 -0.60 -2.57 117.51 116.36 3hox h ILE 1027Ca 0.36 -0.36 0.29 0.00 1.00 0.00 0.00 64.86 66.15 3hox h ILE 1027Cb 0.59 1.32 -0.13 0.00 -0.74 0.00 0.00 36.82 37.85 3hox h ILE 1027CO -0.91 0.09 0.59 -0.08 0.00 0.00 0.00 178.15 177.84 3hox h GLU 1028N -0.20 0.42 0.79 2.37 4.81 0.25 -0.32 114.58 122.70 3hox h GLU 1028Ca -0.00 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 3hox h GLU 1028Cb 0.19 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.48 3hox h GLU 1028CO 0.01 0.28 -0.38 0.00 -0.73 0.00 0.00 179.01 178.19 3hox h LEU 1030N -1.23 -0.67 -0.90 0.00 5.85 -0.81 0.40 115.31 117.94 3hox h LEU 1030Ca -0.11 0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3hox h LEU 1030Cb 0.82 0.38 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 3hox h LEU 1030CO 0.18 -0.22 0.60 0.25 -0.34 0.00 0.00 178.44 178.90 3hox h LEU 1031N -0.09 1.03 -0.59 2.25 5.85 -1.09 -2.65 115.31 120.03 3hox h LEU 1031Ca 0.22 -0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.81 3hox h LEU 1031Cb 0.44 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3hox h LEU 1031CO -0.53 0.75 -0.54 0.28 -0.34 0.00 0.00 178.44 178.06 3hox h SER 1032N 1.22 0.00 -0.69 1.25 0.02 0.11 -0.09 113.55 115.38 3hox h SER 1032Ca 0.33 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.22 3hox h SER 1032Cb -0.14 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 3hox h SER 1032CO -0.07 0.54 0.19 0.50 -1.14 0.00 0.00 176.83 176.85 3hox h LYS 1033N 0.00 1.08 0.00 3.45 3.64 0.03 -1.02 116.57 123.74 3hox h LYS 1033Ca -0.01 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 3hox h LYS 1033Cb 1.16 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 3hox h LYS 1033CO 0.07 0.95 0.00 0.28 -2.27 0.00 0.00 179.45 178.48 3hox n VAL 1034N -4.29 0.00 -0.41 2.00 0.31 -1.03 -2.27 118.33 112.64 3hox n VAL 1034Ca 0.05 0.93 0.33 0.00 -0.01 0.00 0.00 64.34 65.64 3hox n VAL 1034Cb 0.24 -1.79 0.53 0.00 -0.91 0.00 0.00 33.84 31.91 3hox n VAL 1034CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hox n ALA 1035N -1.44 1.15 -0.06 3.52 0.00 -0.06 0.40 120.51 124.02 3hox n ALA 1035Ca 0.00 0.56 -0.15 0.00 0.00 0.00 0.00 53.44 53.86 3hox n ALA 1035Cb 0.00 -0.79 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 3hox n ALA 1035CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hox h ALA 1036N 0.97 0.33 0.58 0.00 0.00 -1.17 0.28 119.26 120.25 3hox h ALA 1036Ca 0.65 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3hox h ALA 1036Cb 2.33 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 20.07 3hox h ALA 1036CO -0.20 0.44 -0.28 -0.07 0.00 0.00 0.00 179.25 179.14 3hox h LEU 1037N 0.33 -0.65 -1.52 0.00 3.38 0.82 -3.29 115.31 114.38 3hox h LEU 1037Ca 0.01 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3hox h LEU 1037Cb 1.02 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3hox h LEU 1037CO 0.09 -0.30 -0.23 0.77 0.09 0.00 0.00 178.44 178.86 3hox h SER 1038N -1.11 0.00 -3.26 -0.43 4.64 -1.12 -3.47 113.55 108.80 3hox h SER 1038Ca -0.08 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.08 3hox h SER 1038Cb 0.59 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.75 3hox h SER 1038CO 0.13 0.23 -0.31 0.61 -0.87 0.00 0.00 176.83 176.62 3hox n GLY 1039N -0.46 0.24 2.68 -0.77 0.00 0.97 -5.02 105.19 102.83 3hox n GLY 1039Ca -0.01 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 3hox n GLY 1039CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hox s ASN 1040N -3.28 3.37 -0.46 1.61 0.01 -1.05 -5.05 114.94 110.09 3hox s ASN 1040Ca 0.18 -1.17 -0.21 0.00 -0.71 0.00 0.00 52.86 50.95 3hox s ASN 1040Cb -0.08 -0.60 -0.12 0.00 0.41 0.00 0.00 41.25 40.86 3hox s ASN 1040CO 0.32 -0.37 1.42 1.21 -1.51 0.00 0.00 177.10 178.16 3hox n GLU 1041N 5.05 0.00 -1.92 -0.60 2.13 -1.26 -4.57 120.64 119.46 3hox n GLU 1041Ca -0.06 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.35 3hox n GLU 1041Cb 0.44 -0.86 -0.01 0.00 0.27 0.00 0.00 31.44 31.29 3hox n GLU 1041CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3hox s GLY 1042N 4.47 2.94 -0.46 8.31 0.00 -1.15 -4.90 107.32 116.53 3hox s GLY 1042Ca 0.74 1.45 -0.15 0.00 0.00 0.00 0.00 44.72 46.76 3hox s GLY 1042CO 0.32 2.14 0.37 -0.35 0.00 0.00 0.00 173.10 175.57 3hox s ASP 1043N -0.25 6.11 -0.32 1.64 2.15 -1.26 -0.34 116.67 124.40 3hox s ASP 1043Ca 0.52 -1.25 0.09 0.00 0.43 0.00 0.00 52.55 52.34 3hox s ASP 1043Cb -0.44 -2.17 0.58 0.00 -0.30 0.00 0.00 42.92 40.59 3hox s ASP 1043CO 0.59 -0.60 1.60 0.00 -0.17 0.00 0.00 175.17 176.59 3hox n ALA 1044N 5.18 4.45 -1.75 3.66 0.00 0.34 -4.83 120.51 127.55 3hox n ALA 1044Ca -0.12 -2.88 -0.38 0.00 0.00 0.00 0.00 53.44 50.06 3hox n ALA 1044Cb 0.44 -0.95 0.04 0.00 0.00 0.00 0.00 19.45 18.97 3hox n ALA 1044CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3hox s SER 1045N -2.00 5.31 0.00 0.00 0.01 -0.79 -1.62 113.70 114.60 3hox s SER 1045Ca 0.48 2.64 0.00 0.00 1.31 0.00 0.00 55.95 60.39 3hox s SER 1045Cb 0.42 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 64.02 3hox s SER 1045CO 0.05 -1.53 0.00 -2.65 0.41 0.00 0.00 173.24 169.52 3hox n PRO 1046N -1.12 0.00 -2.70 12.44 -0.02 -1.26 -4.04 135.00 138.30 3hox n PRO 1046Ca 0.11 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.17 3hox n PRO 1046Cb 0.46 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.91 3hox n PRO 1046CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3hox s PHE 1047N 0.00 2.51 0.44 6.00 0.40 -1.26 -4.79 117.98 121.28 3hox s PHE 1047Ca 0.00 -0.22 0.04 0.00 -0.60 0.00 0.00 56.93 56.15 3hox s PHE 1047Cb 0.00 -4.43 -0.02 0.00 0.51 0.00 0.00 43.02 39.08 3hox s PHE 1047CO 0.00 -1.81 0.14 0.95 0.70 0.00 0.00 175.22 175.21 3hox s THR 1048N 4.85 0.51 -0.36 0.64 -4.23 -1.26 -4.98 115.64 110.81 3hox s THR 1048Ca 0.30 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.90 3hox s THR 1048Cb -0.12 -2.25 0.68 0.00 1.34 0.00 0.00 72.50 72.15 3hox s THR 1048CO 0.14 0.00 1.71 0.47 -0.54 0.00 0.00 174.62 176.40 3hox n ASP 1049N -1.47 4.59 -4.91 3.99 8.00 -1.26 -4.95 116.55 120.53 3hox n ASP 1049Ca -0.07 -3.10 -0.27 0.00 0.71 0.00 0.00 54.79 52.06 3hox n ASP 1049Cb 0.65 -0.73 0.02 0.00 -0.02 0.00 0.00 41.12 41.04 3hox n ASP 1049CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hox s ILE 1050N -2.75 3.97 -0.01 0.53 1.01 -1.26 -5.03 121.20 117.67 3hox s ILE 1050Ca 0.50 0.10 -0.24 0.00 0.00 0.00 0.00 60.65 61.01 3hox s ILE 1050Cb 0.40 -3.56 0.05 0.00 0.01 0.00 0.00 42.46 39.36 3hox s ILE 1050CO 0.12 -0.59 0.53 0.42 0.00 0.00 0.00 174.94 175.42 3hox s THR 1051N -2.95 0.03 0.34 2.92 -4.23 -1.26 -4.92 115.64 105.56 3hox s THR 1051Ca 0.53 -0.21 0.07 0.00 -1.18 0.00 0.00 61.69 60.89 3hox s THR 1051Cb -0.11 -0.89 0.31 0.00 1.34 0.00 0.00 72.50 73.15 3hox s THR 1051CO 0.46 -0.12 1.87 0.58 -0.54 0.00 0.00 174.62 176.87 3hox h VAL 1052N 3.15 0.87 0.03 2.29 2.07 -1.98 0.12 116.25 122.80 3hox h VAL 1052Ca -0.29 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 66.99 3hox h VAL 1052Cb 1.17 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3hox h VAL 1052CO 0.40 0.14 -0.19 -0.33 0.02 0.00 0.00 177.57 177.61 3hox h GLU 1053N 0.76 -0.32 0.08 1.57 4.39 -1.94 0.98 114.58 120.10 3hox h GLU 1053Ca 0.44 0.02 0.02 0.00 0.34 0.00 0.00 59.36 60.18 3hox h GLU 1053Cb 0.62 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.32 3hox h GLU 1053CO -0.20 -0.21 -0.19 0.78 -1.16 0.00 0.00 179.01 178.02 3hox h GLY 1054N -0.33 -0.33 0.75 -3.84 0.00 -1.42 -1.28 103.07 96.62 3hox h GLY 1054Ca 0.05 0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.66 3hox h GLY 1054CO -0.16 -0.18 0.47 -2.22 0.00 0.00 0.00 176.54 174.45 3hox h ILE 1055N -0.36 1.04 -0.43 2.60 2.04 -0.77 -1.87 117.51 119.77 3hox h ILE 1055Ca 0.03 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 3hox h ILE 1055Cb 0.39 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3hox h ILE 1055CO -0.12 0.16 0.26 0.28 0.00 0.00 0.00 178.15 178.73 3hox h SER 1056N 0.88 0.51 -0.38 1.72 0.02 0.14 -1.91 113.55 114.53 3hox h SER 1056Ca 0.33 -0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.27 3hox h SER 1056Cb 0.13 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 3hox h SER 1056CO -0.16 0.40 0.18 0.11 -1.14 0.00 0.00 176.83 176.22 3hox h LYS 1057N 0.57 0.35 0.00 3.45 1.57 -0.64 -1.00 116.57 120.87 3hox h LYS 1057Ca 0.15 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 3hox h LYS 1057Cb -0.02 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3hox h LYS 1057CO -0.03 0.23 -0.32 1.25 -0.57 0.00 0.00 179.45 180.02 3hox h LEU 1058N 0.36 0.00 -0.24 2.94 6.46 -1.17 -1.39 115.31 122.28 3hox h LEU 1058Ca 0.16 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.71 3hox h LEU 1058Cb 0.08 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.02 3hox h LEU 1058CO -0.12 0.32 -0.77 0.25 -0.62 0.00 0.00 178.44 177.49 3hox h LEU 1059N 0.00 0.79 -1.90 2.25 5.85 -0.82 -2.44 115.31 119.03 3hox h LEU 1059Ca -0.00 -0.52 -0.02 0.00 0.84 0.00 0.00 57.88 58.17 3hox h LEU 1059Cb 0.56 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 3hox h LEU 1059CO 0.04 1.30 -0.11 -0.09 -0.34 0.00 0.00 178.44 179.24 3hox h ARG 1060N 0.45 0.00 0.00 1.25 9.65 -0.72 0.32 114.38 125.32 3hox h ARG 1060Ca -0.05 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 3hox h ARG 1060Cb 1.38 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.96 3hox h ARG 1060CO 0.15 0.11 -0.03 0.93 2.80 0.00 0.00 179.97 183.93 3hox h GLU 1061N 0.00 0.00 -0.56 0.20 5.08 -0.76 -1.57 114.58 116.97 3hox h GLU 1061Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hox h GLU 1061Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3hox h GLU 1061CO 0.01 0.03 0.00 0.72 -1.00 0.00 0.00 179.01 178.78 3hox n HIS 1062N -3.30 0.75 -0.03 4.33 8.25 0.10 -4.97 115.22 120.34 3hox n HIS 1062Ca -0.02 -0.45 0.00 0.00 -0.26 0.00 0.00 57.72 56.99 3hox n HIS 1062Cb 0.17 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.27 3hox n HIS 1062CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hox n GLY 1063N 1.31 1.26 3.85 -1.41 0.00 -0.59 -5.05 105.19 104.55 3hox n GLY 1063Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 3hox n GLY 1063CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hox s TYR 1064N -2.47 3.64 0.20 1.61 4.12 -1.23 -5.01 117.35 118.21 3hox s TYR 1064Ca 0.00 0.98 -0.11 0.00 0.02 0.00 0.00 57.07 57.96 3hox s TYR 1064Cb 0.00 -2.30 -0.08 0.00 -1.52 0.00 0.00 41.96 38.06 3hox s TYR 1064CO 0.00 0.51 0.06 0.94 0.02 0.00 0.00 175.55 177.08 3hox n GLN 1065N 1.07 0.00 0.12 -0.62 -0.06 -1.26 -3.82 117.38 112.81 3hox n GLN 1065Ca -0.08 0.00 0.01 0.00 -2.00 0.00 0.00 57.00 54.93 3hox n GLN 1065Cb 0.52 -0.51 0.31 0.00 -4.06 0.00 0.00 30.24 26.50 3hox n GLN 1065CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3hox h SER 1066N 0.19 0.19 0.30 1.69 0.87 -1.89 -3.24 113.55 111.66 3hox h SER 1066Ca -0.19 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 3hox h SER 1066Cb 0.74 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 3hox h SER 1066CO 0.24 0.49 -1.19 0.54 -0.53 0.00 0.00 176.83 176.38 3hox n ARG 1067N -4.13 0.31 0.00 2.24 5.12 -1.26 -4.34 116.66 114.60 3hox n ARG 1067Ca -0.01 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 3hox n ARG 1067Cb 0.38 -1.57 0.00 0.00 -1.16 0.00 0.00 32.46 30.11 3hox n ARG 1067CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hox n GLY 1068N 1.37 3.53 2.33 -0.13 0.00 -1.22 -4.89 105.19 106.17 3hox n GLY 1068Ca 0.01 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 3hox n GLY 1068CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hox n PHE 1069N 0.00 -3.96 -3.80 1.61 3.01 -1.25 -4.28 117.46 108.78 3hox n PHE 1069Ca 0.00 -0.01 -0.09 0.00 1.01 0.00 0.00 57.45 58.36 3hox n PHE 1069Cb 0.00 -1.11 -0.03 0.00 -0.01 0.00 0.00 39.48 38.33 3hox n PHE 1069CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3hox s GLU 1070N -1.55 1.56 0.03 -1.08 2.02 -0.91 -4.28 118.70 114.50 3hox s GLU 1070Ca 0.31 -0.94 -0.06 0.00 0.02 0.00 0.00 54.97 54.29 3hox s GLU 1070Cb -0.13 0.55 -0.05 0.00 0.10 0.00 0.00 34.13 34.60 3hox s GLU 1070CO 0.64 -0.69 0.29 0.08 0.02 0.00 0.00 175.26 175.60 3hox s VAL 1071N -3.91 5.28 0.13 2.63 1.01 -1.26 -2.14 120.40 122.14 3hox s VAL 1071Ca 0.11 0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.27 3hox s VAL 1071Cb -0.03 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 3hox s VAL 1071CO 0.02 0.31 -0.11 -0.04 0.00 0.00 0.00 175.10 175.28 3hox s MET 1072N -1.93 0.98 0.05 2.72 -1.94 -1.26 -4.32 119.30 113.60 3hox s MET 1072Ca 0.30 -1.32 0.04 0.00 -1.71 0.00 0.00 55.69 53.00 3hox s MET 1072Cb -0.13 -0.62 -0.04 0.00 2.01 0.00 0.00 34.83 36.05 3hox s MET 1072CO 0.18 0.09 -0.03 0.71 -0.01 0.00 0.00 175.02 175.96 3hox s TYR 1073N -2.89 2.94 -0.81 -0.03 1.51 0.24 -0.08 117.35 118.24 3hox s TYR 1073Ca 0.12 -0.03 -0.26 0.00 -1.01 0.00 0.00 57.07 55.89 3hox s TYR 1073Cb -0.00 -1.56 0.04 0.00 -0.11 0.00 0.00 41.96 40.32 3hox s TYR 1073CO 0.01 0.44 1.32 1.21 -1.11 0.00 0.00 175.55 177.42 3hox s ASN 1074N -1.93 6.24 0.54 2.29 3.84 0.40 -1.76 114.94 124.56 3hox s ASN 1074Ca 0.22 -0.70 0.00 0.00 0.21 0.00 0.00 52.86 52.59 3hox s ASN 1074Cb -0.11 -2.56 0.01 0.00 -0.55 0.00 0.00 41.25 38.03 3hox s ASN 1074CO 0.13 -1.76 0.82 0.61 -2.79 0.00 0.00 177.10 174.12 3hox n GLY 1075N 5.75 -0.41 0.06 1.21 0.00 -1.25 0.67 105.19 111.21 3hox n GLY 1075Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.08 3hox n GLY 1075CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3hox h HIS 1076N 0.00 0.00 0.00 1.61 3.86 -1.78 -3.41 115.15 115.42 3hox h HIS 1076Ca 0.00 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.01 3hox h HIS 1076Cb 1.65 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 30.08 3hox h HIS 1076CO 0.00 0.30 -1.81 0.25 0.86 0.00 0.00 177.93 177.54 3hox n THR 1077N -4.73 1.08 -0.12 2.45 -2.24 -0.06 -4.98 114.28 105.68 3hox n THR 1077Ca -0.03 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3hox n THR 1077Cb 0.15 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 3hox n THR 1077CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hox n GLY 1078N 1.48 1.67 3.74 3.38 0.00 0.21 -5.01 105.19 110.67 3hox n GLY 1078Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 3hox n GLY 1078CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hox s LYS 1079N -0.37 1.76 0.87 1.61 2.20 -1.26 -4.55 119.74 120.00 3hox s LYS 1079Ca 0.00 1.02 -0.11 0.00 -0.36 0.00 0.00 55.97 56.52 3hox s LYS 1079Cb 0.00 -1.85 0.11 0.00 -1.51 0.00 0.00 37.83 34.58 3hox s LYS 1079CO 0.00 -1.95 1.09 0.15 -0.36 0.00 0.00 175.35 174.28 3hox s LYS 1080N -4.91 1.45 -0.30 4.03 1.02 -1.26 -0.46 119.74 119.31 3hox s LYS 1080Ca 0.62 0.86 -0.11 0.00 0.02 0.00 0.00 55.97 57.36 3hox s LYS 1080Cb -0.18 -1.83 -0.02 0.00 -0.52 0.00 0.00 37.83 35.28 3hox s LYS 1080CO 0.57 -2.12 0.18 -0.51 -0.92 0.00 0.00 175.35 172.54 3hox s LEU 1081N -6.15 4.12 0.66 3.17 1.43 0.88 -4.57 118.68 118.22 3hox s LEU 1081Ca 0.63 -0.33 0.09 0.00 -1.03 0.00 0.00 54.13 53.49 3hox s LEU 1081Cb -0.18 -2.06 0.47 0.00 0.03 0.00 0.00 46.19 44.45 3hox s LEU 1081CO 0.57 -0.15 1.26 -0.03 0.23 0.00 0.00 176.35 178.23 3hox h MET 1082N 8.38 0.00 0.00 1.70 1.85 -1.94 -3.40 114.93 121.52 3hox h MET 1082Ca -0.33 0.00 -0.53 0.00 -0.61 0.00 0.00 59.70 58.22 3hox h MET 1082Cb 1.16 0.00 -0.06 0.00 0.43 0.00 0.00 31.60 33.14 3hox h MET 1082CO 0.60 0.00 -0.29 0.00 -0.40 0.00 0.00 176.91 176.82 3hox n ALA 1083N -1.61 0.67 -2.53 0.39 0.00 -1.26 -5.14 120.51 111.03 3hox n ALA 1083Ca -0.01 -1.98 -0.24 0.00 0.00 0.00 0.00 53.44 51.21 3hox n ALA 1083Cb 0.82 0.88 -0.14 0.00 0.00 0.00 0.00 19.45 21.02 3hox n ALA 1083CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3hox s GLN 1084N -3.92 1.25 0.20 0.00 1.11 -1.26 -4.39 119.66 112.65 3hox s GLN 1084Ca 0.21 -0.85 0.06 0.00 0.01 0.00 0.00 55.36 54.79 3hox s GLN 1084Cb -0.02 -1.32 -0.04 0.00 -1.01 0.00 0.00 33.01 30.63 3hox s GLN 1084CO 0.14 0.34 0.16 0.42 0.01 0.00 0.00 175.29 176.35 3hox s ILE 1085N -0.77 4.45 -1.25 1.08 1.09 -0.91 -4.82 121.20 120.07 3hox s ILE 1085Ca 0.06 -1.24 -0.17 0.00 -1.10 0.00 0.00 60.65 58.20 3hox s ILE 1085Cb -0.08 -3.33 0.11 0.00 -1.06 0.00 0.00 42.46 38.10 3hox s ILE 1085CO 0.01 -0.22 1.61 0.12 -0.10 0.00 0.00 174.94 176.36 3hox s PHE 1086N -1.92 3.03 0.55 3.97 5.36 -1.26 -2.13 117.98 125.58 3hox s PHE 1086Ca 0.32 -1.77 -0.07 0.00 -0.96 0.00 0.00 56.93 54.44 3hox s PHE 1086Cb -0.09 -4.59 -0.03 0.00 -0.34 0.00 0.00 43.02 37.97 3hox s PHE 1086CO 0.24 -1.66 0.89 0.12 -1.46 0.00 0.00 175.22 173.35 3hox s PHE 1087N 3.29 3.53 0.00 10.12 5.99 -1.26 -3.29 117.98 136.36 3hox s PHE 1087Ca 0.49 0.94 0.00 0.00 0.00 0.00 0.00 56.93 58.36 3hox s PHE 1087Cb 0.01 -2.52 0.00 0.00 0.00 0.00 0.00 43.02 40.51 3hox s PHE 1087CO 0.04 -0.52 0.00 0.41 -0.00 0.00 0.00 175.22 175.15 3hox n GLY 1088N -2.49 4.30 3.59 13.12 0.00 -1.05 -4.70 105.19 117.96 3hox n GLY 1088Ca 0.03 -1.41 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 3hox n GLY 1088CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hox s PRO 1089N -3.87 0.00 -0.29 1.61 0.04 -1.26 -2.21 135.00 129.03 3hox s PRO 1089Ca 0.00 1.00 -0.20 0.00 0.04 0.00 0.00 61.00 61.83 3hox s PRO 1089Cb 0.00 -1.65 0.14 0.00 0.04 0.00 0.00 34.50 33.03 3hox s PRO 1089CO 0.00 -3.15 1.01 0.99 0.04 0.00 0.00 177.00 175.90 3hox s THR 1090N -2.62 0.00 -0.08 1.26 2.01 -0.61 -4.29 115.64 111.31 3hox s THR 1090Ca 0.67 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.37 3hox s THR 1090Cb -0.23 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 3hox s THR 1090CO 0.61 0.00 1.28 -0.47 -0.69 0.00 0.00 174.62 175.35 3hox s TYR 1091N 0.79 2.96 -0.04 4.92 5.04 -1.26 -0.70 117.35 129.06 3hox s TYR 1091Ca -0.03 1.02 0.05 0.00 -2.44 0.00 0.00 57.07 55.67 3hox s TYR 1091Cb -0.04 -3.52 -0.01 0.00 0.35 0.00 0.00 41.96 38.74 3hox s TYR 1091CO -0.11 -1.79 -0.19 0.71 -1.34 0.00 0.00 175.55 172.83 3hox s TYR 1092N 2.73 1.87 -0.20 4.97 1.51 -0.01 -4.30 117.35 123.93 3hox s TYR 1092Ca 0.58 -0.50 -0.10 0.00 -1.01 0.00 0.00 57.07 56.04 3hox s TYR 1092Cb -0.26 -1.24 -0.05 0.00 -0.11 0.00 0.00 41.96 40.31 3hox s TYR 1092CO 0.21 -0.15 0.12 -0.65 -1.11 0.00 0.00 175.55 173.97 3hox s GLN 1093N -0.11 4.15 -0.44 -0.62 -0.21 0.29 -1.74 119.66 120.98 3hox s GLN 1093Ca -0.01 -0.24 -0.21 0.00 0.02 0.00 0.00 55.36 54.91 3hox s GLN 1093Cb -0.11 -3.39 0.02 0.00 1.00 0.00 0.00 33.01 30.54 3hox s GLN 1093CO 0.02 0.29 0.68 0.50 -2.12 0.00 0.00 175.29 174.66 3hox s ARG 1094N 0.38 3.33 0.28 2.91 3.52 -1.26 -0.49 118.95 127.61 3hox s ARG 1094Ca 0.07 -0.29 -0.02 0.00 -0.13 0.00 0.00 55.73 55.37 3hox s ARG 1094Cb -0.11 -3.94 -0.04 0.00 -1.56 0.00 0.00 34.95 29.29 3hox s ARG 1094CO -0.01 -1.03 0.49 -0.48 -0.81 0.00 0.00 175.30 173.45 3hox s LEU 1095N 2.95 4.11 1.17 -0.88 0.05 -1.23 -2.65 118.68 122.19 3hox s LEU 1095Ca 0.25 0.51 -0.16 0.00 0.05 0.00 0.00 54.13 54.77 3hox s LEU 1095Cb -0.14 -3.32 0.20 0.00 -2.05 0.00 0.00 46.19 40.88 3hox s LEU 1095CO 0.20 -0.17 0.44 -1.14 -0.55 0.00 0.00 176.35 175.13 3hox n ARG 1096N -1.12 -2.16 -1.07 1.48 0.63 0.83 -4.67 116.66 110.57 3hox n ARG 1096Ca -0.04 -0.61 0.00 0.00 -0.92 0.00 0.00 57.85 56.28 3hox n ARG 1096Cb 0.55 -1.89 0.00 0.00 0.45 0.00 0.00 32.46 31.57 3hox n ARG 1096CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3hox n HIS 1097N -4.75 0.00 -5.24 -0.14 8.25 -1.26 -4.88 115.22 107.20 3hox n HIS 1097Ca 0.01 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.16 3hox n HIS 1097Cb 0.59 -1.07 -0.16 0.00 1.12 0.00 0.00 29.99 30.46 3hox n HIS 1097CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3hox s MET 1098N -0.46 2.30 0.07 -0.41 -1.94 -1.26 -3.89 119.30 113.71 3hox s MET 1098Ca 0.00 -0.89 -0.14 0.00 -1.71 0.00 0.00 55.69 52.95 3hox s MET 1098Cb 0.00 -2.12 -0.03 0.00 2.01 0.00 0.00 34.83 34.69 3hox s MET 1098CO 0.00 0.51 0.76 1.55 -0.01 0.00 0.00 175.02 177.84 3hox n VAL 1099N 2.58 -0.31 0.00 -6.03 3.14 -1.25 -0.23 118.33 116.23 3hox n VAL 1099Ca -0.17 1.20 0.00 0.00 -2.96 0.00 0.00 64.34 62.41 3hox n VAL 1099Cb 0.51 -1.49 0.00 0.00 -1.06 0.00 0.00 33.84 31.81 3hox n VAL 1099CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3hox n ASP 1100N -4.37 0.00 -1.07 6.55 8.00 -1.26 0.17 116.55 124.56 3hox n ASP 1100Ca 0.01 0.27 0.11 0.00 0.71 0.00 0.00 54.79 55.89 3hox n ASP 1100Cb 0.12 -0.27 0.20 0.00 -0.02 0.00 0.00 41.12 41.15 3hox n ASP 1100CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3hox n ASP 1101N -1.26 3.35 0.00 -2.24 8.00 0.68 -4.63 116.55 120.45 3hox n ASP 1101Ca 0.00 -1.95 0.00 0.00 0.71 0.00 0.00 54.79 53.55 3hox n ASP 1101Cb 0.21 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 3hox n ASP 1101CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hox n LYS 1102N 1.35 0.00 0.00 -1.24 5.02 0.45 -5.00 118.16 118.74 3hox n LYS 1102Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 3hox n LYS 1102Cb 0.57 -0.04 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 3hox n LYS 1102CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 3hox n ILE 1103N -2.58 0.00 -3.83 -0.18 3.06 -0.63 -4.88 119.36 110.32 3hox n ILE 1103Ca 0.00 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 60.13 3hox n ILE 1103Cb 0.00 0.00 -0.13 0.00 0.54 0.00 0.00 39.64 40.05 3hox n ILE 1103CO 0.00 0.00 0.00 -2.28 -2.50 0.00 0.00 176.55 171.77 3hox s HIS 1104N 0.00 -0.14 0.01 9.51 2.46 -1.26 -4.98 115.29 120.89 3hox s HIS 1104Ca 0.00 0.34 -0.08 0.00 0.47 0.00 0.00 55.06 55.79 3hox s HIS 1104Cb 0.00 0.04 0.00 0.00 -0.13 0.00 0.00 32.58 32.50 3hox s HIS 1104CO 0.00 -0.08 0.15 0.00 -2.47 0.00 0.00 174.74 172.34 3hox s ALA 1105N -0.01 -0.33 -0.17 1.58 0.00 -1.26 -5.08 121.76 116.50 3hox s ALA 1105Ca -0.01 -0.16 -0.16 0.00 0.00 0.00 0.00 51.96 51.63 3hox s ALA 1105Cb -0.01 0.14 0.04 0.00 0.00 0.00 0.00 23.12 23.29 3hox s ALA 1105CO 0.00 -0.24 0.45 0.50 0.00 0.00 0.00 175.76 176.47 3hox s ARG 1106N -1.61 0.53 -0.32 0.00 3.52 -1.26 -5.03 118.95 114.79 3hox s ARG 1106Ca -0.13 0.61 -0.02 0.00 -0.13 0.00 0.00 55.73 56.06 3hox s ARG 1106Cb -0.06 0.26 0.12 0.00 -1.56 0.00 0.00 34.95 33.70 3hox s ARG 1106CO 0.01 -0.07 0.19 0.00 -0.81 0.00 0.00 175.30 174.62 3hox s ALA 1107N 0.21 0.58 0.40 6.12 0.00 -1.26 -5.00 121.76 122.81 3hox s ALA 1107Ca -0.00 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.66 3hox s ALA 1107Cb -0.03 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.55 3hox s ALA 1107CO 0.01 -1.85 0.00 -2.13 0.00 0.00 0.00 175.76 171.79 3hox n ARG 1108N 4.76 -4.89 0.00 0.00 0.63 -1.26 -5.08 116.66 110.81 3hox n ARG 1108Ca 0.02 3.56 0.00 0.00 -0.92 0.00 0.00 57.85 60.51 3hox n ARG 1108Cb 0.41 -3.94 0.00 0.00 0.45 0.00 0.00 32.46 29.38 3hox n ARG 1108CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hox n GLY 1109N 0.16 -0.81 3.57 5.14 0.00 -1.26 -5.13 105.19 106.86 3hox n GLY 1109Ca 0.00 -0.27 -0.45 0.00 0.00 0.00 0.00 46.02 45.30 3hox n GLY 1109CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hox n PRO 1110N 0.00 1.24 -4.79 1.61 -0.04 -1.26 -4.92 135.00 126.84 3hox n PRO 1110Ca 0.00 0.43 -0.24 0.00 -0.04 0.00 0.00 63.50 63.65 3hox n PRO 1110Cb 0.00 -1.79 -0.15 0.00 -0.04 0.00 0.00 33.50 31.52 3hox n PRO 1110CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3hox s MET 1111N -1.41 1.42 1.05 0.54 -1.94 -1.26 -2.19 119.30 115.50 3hox s MET 1111Ca 0.60 -0.59 -0.14 0.00 -1.71 0.00 0.00 55.69 53.86 3hox s MET 1111Cb -0.73 -1.34 0.14 0.00 2.01 0.00 0.00 34.83 34.91 3hox s MET 1111CO 0.59 0.33 0.60 0.94 -0.01 0.00 0.00 175.02 177.47 3hox n GLN 1112N 2.78 -1.23 -0.10 2.03 7.27 0.33 -4.76 117.38 123.70 3hox n GLN 1112Ca -0.15 -0.32 -0.15 0.00 0.07 0.00 0.00 57.00 56.44 3hox n GLN 1112Cb 0.54 -2.00 -0.14 0.00 2.41 0.00 0.00 30.24 31.05 3hox n GLN 1112CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3hox n VAL 1113N -4.31 1.49 -0.04 1.69 0.31 -1.26 -2.96 118.33 113.25 3hox n VAL 1113Ca 0.05 -0.69 -0.13 0.00 -0.01 0.00 0.00 64.34 63.57 3hox n VAL 1113Cb 0.56 -1.11 -0.11 0.00 -0.91 0.00 0.00 33.84 32.27 3hox n VAL 1113CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3hox h LEU 1114N 0.01 -0.02 0.00 7.52 5.85 -1.97 -3.36 115.31 123.34 3hox h LEU 1114Ca -0.54 -0.73 -0.10 0.00 0.84 0.00 0.00 57.88 57.34 3hox h LEU 1114Cb 2.04 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 43.06 3hox h LEU 1114CO -0.02 0.76 -0.52 0.74 -0.34 0.00 0.00 178.44 179.05 3hox h THR 1115N -0.84 0.80 -1.98 1.05 2.02 -1.97 -3.48 112.91 108.51 3hox h THR 1115Ca -0.00 -2.14 -0.37 0.00 0.77 0.00 0.00 66.41 64.67 3hox h THR 1115Cb 0.75 2.38 -0.07 0.00 -1.74 0.00 0.00 68.15 69.48 3hox h THR 1115CO 0.00 0.45 -0.43 0.54 0.37 0.00 0.00 175.52 176.46 3hox n ARG 1116N -3.20 -1.41 -3.83 6.66 5.12 -1.16 -4.35 116.66 114.50 3hox n ARG 1116Ca 0.02 1.00 -0.23 0.00 -1.93 0.00 0.00 57.85 56.70 3hox n ARG 1116Cb 0.73 -5.44 -0.05 0.00 -1.16 0.00 0.00 32.46 26.54 3hox n ARG 1116CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3hox s GLN 1117N -4.41 2.39 0.42 5.56 -0.21 -1.26 -4.38 119.66 117.77 3hox s GLN 1117Ca 0.00 -1.69 -0.26 0.00 0.02 0.00 0.00 55.36 53.42 3hox s GLN 1117Cb 0.00 -2.19 -0.09 0.00 1.00 0.00 0.00 33.01 31.73 3hox s GLN 1117CO 0.00 -0.18 1.46 -2.14 -2.12 0.00 0.00 175.29 172.31 3hox s PRO 1118N -4.04 3.84 0.90 2.91 0.02 -1.26 0.12 135.00 137.49 3hox s PRO 1118Ca 0.44 2.50 -0.11 0.00 0.02 0.00 0.00 61.00 63.85 3hox s PRO 1118Cb 0.00 -2.77 0.13 0.00 0.02 0.00 0.00 34.50 31.87 3hox s PRO 1118CO 0.25 -0.73 1.09 0.14 -0.33 0.00 0.00 177.00 177.43 3hox s VAL 1119N -1.17 2.67 -0.11 3.83 -7.23 -0.93 -4.51 120.40 112.95 3hox s VAL 1119Ca 0.58 0.22 -0.04 0.00 -1.81 0.00 0.00 61.98 60.93 3hox s VAL 1119Cb -0.45 -2.61 -0.03 0.00 0.56 0.00 0.00 36.38 33.85 3hox s VAL 1119CO 0.60 -0.28 0.03 -0.70 -0.31 0.00 0.00 175.10 174.43 3hox s GLU 1120N -4.85 3.27 0.00 4.82 2.12 -1.26 -2.68 118.70 120.12 3hox s GLU 1120Ca 0.64 -0.37 0.00 0.00 0.36 0.00 0.00 54.97 55.60 3hox s GLU 1120Cb -0.19 -2.93 0.00 0.00 0.26 0.00 0.00 34.13 31.27 3hox s GLU 1120CO 0.58 0.60 0.00 0.41 -0.54 0.00 0.00 175.26 176.31 3hox n GLY 1121N 2.48 2.18 0.34 -1.50 0.00 -1.26 -4.65 105.19 102.78 3hox n GLY 1121Ca -0.18 -1.13 0.15 0.00 0.00 0.00 0.00 46.02 44.86 3hox n GLY 1121CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hox h ARG 1122N 0.00 0.07 0.00 1.61 0.11 -1.93 0.45 114.38 114.69 3hox h ARG 1122Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3hox h ARG 1122Cb 0.00 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.06 3hox h ARG 1122CO 0.00 0.05 0.00 -1.13 0.10 0.00 0.00 179.97 178.99 3hox n SER 1123N -4.44 0.57 -0.15 0.08 3.41 -1.26 -1.82 113.62 110.00 3hox n SER 1123Ca 0.06 0.65 0.02 0.00 -0.26 0.00 0.00 58.87 59.34 3hox n SER 1123Cb 0.41 -0.76 0.01 0.00 -0.26 0.00 0.00 64.21 63.61 3hox n SER 1123CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hox n ARG 1124N -2.13 -0.07 -1.09 4.33 1.74 0.14 -4.96 116.66 114.61 3hox n ARG 1124Ca 0.02 -0.70 -0.02 0.00 -0.77 0.00 0.00 57.85 56.38 3hox n ARG 1124Cb 0.21 -1.05 -0.01 0.00 -1.02 0.00 0.00 32.46 30.58 3hox n ARG 1124CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3hox n ASP 1125N 0.15 -3.19 -4.50 0.55 2.03 -0.12 -4.82 116.55 106.64 3hox n ASP 1125Ca 0.02 0.05 -0.29 0.00 0.52 0.00 0.00 54.79 55.09 3hox n ASP 1125Cb 0.10 -0.93 0.18 0.00 -0.72 0.00 0.00 41.12 39.76 3hox n ASP 1125CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3hox s GLY 1126N -2.98 1.57 0.20 0.27 0.00 -0.67 -4.61 107.32 101.11 3hox s GLY 1126Ca 0.00 -0.56 0.04 0.00 0.00 0.00 0.00 44.72 44.20 3hox s GLY 1126CO 0.00 0.11 0.33 -0.32 0.00 0.00 0.00 173.10 173.22 3hox s GLY 1127N -3.71 1.41 1.02 0.20 0.00 -1.09 -4.62 107.32 100.53 3hox s GLY 1127Ca 0.67 -1.15 -0.12 0.00 0.00 0.00 0.00 44.72 44.11 3hox s GLY 1127CO 0.56 -1.17 1.08 1.08 0.00 0.00 0.00 173.10 174.66 3hox s LEU 1128N -3.67 1.54 -0.16 0.66 1.43 -1.26 -4.77 118.68 112.44 3hox s LEU 1128Ca 0.34 1.30 -0.03 0.00 -1.03 0.00 0.00 54.13 54.71 3hox s LEU 1128Cb -0.10 -3.46 -0.02 0.00 0.03 0.00 0.00 46.19 42.64 3hox s LEU 1128CO 0.29 -3.29 -0.04 -0.60 0.23 0.00 0.00 176.35 172.94 3hox s ARG 1129N -4.86 3.62 -1.05 1.70 3.52 -1.26 -5.00 118.95 115.62 3hox s ARG 1129Ca 0.66 -0.54 -0.06 0.00 -0.13 0.00 0.00 55.73 55.65 3hox s ARG 1129Cb -0.20 -2.91 0.26 0.00 -1.56 0.00 0.00 34.95 30.54 3hox s ARG 1129CO 0.59 0.18 1.04 0.34 -0.81 0.00 0.00 175.30 176.64 3hox n PHE 1130N 3.71 4.77 -0.84 5.12 7.35 -1.26 -5.03 117.46 131.29 3hox n PHE 1130Ca -0.17 -3.90 0.00 0.00 -0.76 0.00 0.00 57.45 52.61 3hox n PHE 1130Cb 0.52 -1.50 0.00 0.00 0.35 0.00 0.00 39.48 38.86 3hox n PHE 1130CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hox n GLY 1131N 2.45 -0.06 0.44 7.13 0.00 -1.26 -4.75 105.19 109.14 3hox n GLY 1131Ca 0.24 -1.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.35 3hox n GLY 1131CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hox h GLU 1132N 0.00 -0.53 -0.92 1.61 5.08 -1.99 -1.78 114.58 116.04 3hox h GLU 1132Ca 0.00 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.51 3hox h GLU 1132Cb 0.00 0.12 -0.13 0.00 0.50 0.00 0.00 28.75 29.24 3hox h GLU 1132CO 0.00 -0.36 -0.46 -1.33 -1.00 0.00 0.00 179.01 175.86 3hox n MET 1133N -5.26 -0.32 -0.16 2.33 2.81 -1.26 0.03 117.12 115.28 3hox n MET 1133Ca -0.06 1.40 -0.01 0.00 -1.81 0.00 0.00 57.70 57.23 3hox n MET 1133Cb 0.36 -2.07 0.24 0.00 -0.71 0.00 0.00 33.22 31.03 3hox n MET 1133CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3hox h GLU 1134N 0.00 0.89 0.47 0.03 3.07 -1.82 -2.48 114.58 114.74 3hox h GLU 1134Ca 0.22 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 3hox h GLU 1134Cb 0.45 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 3hox h GLU 1134CO -0.89 0.67 -0.37 -0.09 -1.40 0.00 0.00 179.01 176.93 3hox h ARG 1135N 0.89 -0.80 -0.65 2.33 2.43 0.48 -1.31 114.38 117.75 3hox h ARG 1135Ca 0.22 0.05 0.12 0.00 -0.81 0.00 0.00 59.98 59.57 3hox h ARG 1135Cb 0.06 0.18 -0.12 0.00 -0.42 0.00 0.00 29.97 29.67 3hox h ARG 1135CO -0.03 -0.53 -0.29 -0.44 -1.51 0.00 0.00 179.97 177.16 3hox h ASP 1136N -0.83 -1.03 -0.91 -3.80 5.19 -1.07 0.20 116.42 114.18 3hox h ASP 1136Ca -0.05 0.23 0.19 0.00 -0.62 0.00 0.00 57.03 56.78 3hox h ASP 1136Cb 0.71 0.55 -0.07 0.00 0.18 0.00 0.00 39.33 40.70 3hox h ASP 1136CO -0.00 -0.28 0.59 0.00 -3.12 0.00 0.00 179.24 176.42 3hox h MET 1138N 0.50 0.24 -0.98 0.00 2.86 0.48 -2.96 114.93 115.08 3hox h MET 1138Ca 0.48 -0.21 0.15 0.00 -2.06 0.00 0.00 59.70 58.06 3hox h MET 1138Cb 1.05 0.05 -0.09 0.00 0.06 0.00 0.00 31.60 32.66 3hox h MET 1138CO -0.21 0.88 0.59 0.82 1.06 0.00 0.00 176.91 180.05 3hox h ILE 1139N -0.33 0.81 -0.07 -1.22 2.04 0.19 -0.16 117.51 118.77 3hox h ILE 1139Ca -0.02 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.56 3hox h ILE 1139Cb 0.94 -0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3hox h ILE 1139CO 0.05 0.16 -0.30 0.00 0.00 0.00 0.00 178.15 178.05 3hox h ALA 1140N 1.58 -0.69 0.00 1.87 0.00 -0.57 0.19 119.26 121.64 3hox h ALA 1140Ca 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3hox h ALA 1140Cb 0.66 0.82 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3hox h ALA 1140CO -0.32 -0.80 0.06 0.45 0.00 0.00 0.00 179.25 178.64 3hox h HIS 1141N -0.33 0.00 -0.39 0.00 3.86 -1.00 -3.44 115.15 113.85 3hox h HIS 1141Ca 0.02 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.11 3hox h HIS 1141Cb 0.38 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.81 3hox h HIS 1141CO -0.52 0.00 -0.11 0.41 0.86 0.00 0.00 177.93 178.57 3hox n GLY 1142N -1.22 0.65 2.63 2.45 0.00 0.67 -4.89 105.19 105.49 3hox n GLY 1142Ca -0.02 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 3hox n GLY 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hox n ALA 1143N 0.56 5.72 -0.14 4.61 0.00 -1.12 -4.80 120.51 125.34 3hox n ALA 1143Ca -0.06 -3.37 -0.05 0.00 0.00 0.00 0.00 53.44 49.97 3hox n ALA 1143Cb 0.27 -3.41 -0.04 0.00 0.00 0.00 0.00 19.45 16.26 3hox n ALA 1143CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hox h ALA 1144N 6.03 -0.27 0.13 0.00 0.00 -1.90 -2.11 119.26 121.14 3hox h ALA 1144Ca 0.63 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.59 3hox h ALA 1144Cb 0.45 1.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 3hox h ALA 1144CO 1.80 -0.42 -0.20 0.77 0.00 0.00 0.00 179.25 181.20 3hox h SER 1145N -0.03 -0.55 -0.70 0.00 0.02 -2.00 -2.44 113.55 107.84 3hox h SER 1145Ca 0.05 0.06 0.15 0.00 -0.84 0.00 0.00 61.79 61.22 3hox h SER 1145Cb 0.17 0.21 -0.13 0.00 0.14 0.00 0.00 62.40 62.80 3hox h SER 1145CO -0.34 -0.29 -0.05 0.15 -1.14 0.00 0.00 176.83 175.17 3hox h PHE 1146N -0.39 -0.15 -0.44 3.45 3.57 -1.92 0.56 116.94 121.63 3hox h PHE 1146Ca 0.02 0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.63 3hox h PHE 1146Cb 0.40 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.27 3hox h PHE 1146CO -0.18 -0.24 0.15 1.25 -2.23 0.00 0.00 178.31 177.05 3hox h LEU 1147N 0.07 0.14 -0.19 0.59 6.46 -1.15 0.04 115.31 121.27 3hox h LEU 1147Ca 0.37 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 58.20 3hox h LEU 1147Cb 0.62 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.57 3hox h LEU 1147CO -0.65 0.11 0.09 0.50 -0.62 0.00 0.00 178.44 177.87 3hox h LYS 1148N 0.31 0.19 -0.51 1.25 3.11 0.39 -2.43 116.57 118.88 3hox h LYS 1148Ca 0.21 -0.01 0.04 0.00 -2.81 0.00 0.00 60.65 58.07 3hox h LYS 1148Cb 0.21 -0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.36 3hox h LYS 1148CO -0.22 0.13 0.27 1.49 -2.81 0.00 0.00 179.45 178.31 3hox h GLU 1149N 0.20 0.52 -0.69 1.90 4.81 0.18 0.61 114.58 122.10 3hox h GLU 1149Ca 0.08 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 3hox h GLU 1149Cb 0.02 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 3hox h GLU 1149CO -0.06 0.34 0.46 -0.09 -0.73 0.00 0.00 179.01 178.93 3hox h ARG 1150N 0.53 0.78 0.00 1.92 9.65 -0.79 -0.82 114.38 125.65 3hox h ARG 1150Ca 0.22 -0.05 -0.14 0.00 -1.10 0.00 0.00 59.98 58.91 3hox h ARG 1150Cb 0.10 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.48 3hox h ARG 1150CO -0.14 0.52 -0.99 -0.07 2.80 0.00 0.00 179.97 182.09 3hox h LEU 1151N 0.81 0.00 0.00 3.80 4.07 -0.81 -3.36 115.31 119.81 3hox h LEU 1151Ca 0.28 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.24 3hox h LEU 1151Cb 0.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.84 3hox h LEU 1151CO -0.08 0.56 0.00 0.23 -1.08 0.00 0.00 178.44 178.07 3hox n MET 1152N -3.06 0.00 -0.33 1.13 2.81 0.11 -4.05 117.12 113.74 3hox n MET 1152Ca -0.04 0.00 0.23 0.00 -1.81 0.00 0.00 57.70 56.08 3hox n MET 1152Cb 0.80 0.00 0.51 0.00 -0.71 0.00 0.00 33.22 33.81 3hox n MET 1152CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3hox h GLU 1153N 0.00 0.38 -0.86 0.03 3.07 -1.70 0.18 114.58 115.68 3hox h GLU 1153Ca 0.00 -0.02 -0.15 0.00 -0.50 0.00 0.00 59.36 58.69 3hox h GLU 1153Cb 0.00 -0.09 -0.09 0.00 -0.84 0.00 0.00 28.75 27.74 3hox h GLU 1153CO 0.00 0.25 0.19 0.00 -1.40 0.00 0.00 179.01 178.05 3hox n ALA 1154N -2.47 3.86 -2.00 3.43 0.00 -0.34 -4.87 120.51 118.13 3hox n ALA 1154Ca 0.26 -1.48 0.00 0.00 0.00 0.00 0.00 53.44 52.22 3hox n ALA 1154Cb 0.89 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 19.17 3hox n ALA 1154CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hox n SER 1155N -0.03 0.00 0.00 0.00 2.88 0.61 -4.86 113.62 112.22 3hox n SER 1155Ca 0.27 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 3hox n SER 1155Cb 1.03 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.49 3hox n SER 1155CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3hox n ASP 1156N 0.00 0.00 -2.41 -3.46 8.00 -1.21 -4.81 116.55 112.65 3hox n ASP 1156Ca 0.00 0.02 -0.01 0.00 0.71 0.00 0.00 54.79 55.51 3hox n ASP 1156Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 3hox n ASP 1156CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hox n ALA 1157N -2.47 -2.31 -2.34 2.24 0.00 -1.23 -4.78 120.51 109.63 3hox n ALA 1157Ca 0.00 0.89 -0.09 0.00 0.00 0.00 0.00 53.44 54.24 3hox n ALA 1157Cb 0.00 -2.15 -0.09 0.00 0.00 0.00 0.00 19.45 17.21 3hox n ALA 1157CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3hox s PHE 1158N -0.59 0.56 -0.22 0.00 5.36 -0.16 -4.71 117.98 118.21 3hox s PHE 1158Ca -0.06 -0.97 0.02 0.00 -0.96 0.00 0.00 56.93 54.95 3hox s PHE 1158Cb 0.00 -0.29 0.04 0.00 -0.34 0.00 0.00 43.02 42.44 3hox s PHE 1158CO 0.17 -0.54 -0.15 0.50 -1.46 0.00 0.00 175.22 173.73 3hox s ARG 1159N -3.97 2.60 0.21 10.12 3.00 -1.26 -2.08 118.95 127.57 3hox s ARG 1159Ca 0.15 -1.10 0.11 0.00 -1.00 0.00 0.00 55.73 53.90 3hox s ARG 1159Cb 0.06 -2.74 -0.05 0.00 0.00 0.00 0.00 34.95 32.22 3hox s ARG 1159CO -0.03 -0.40 -0.22 0.14 0.00 0.00 0.00 175.30 174.79 3hox s VAL 1160N 1.19 2.30 -0.15 7.11 -7.23 -0.94 -4.96 120.40 117.72 3hox s VAL 1160Ca -0.02 -2.09 -0.06 0.00 -1.81 0.00 0.00 61.98 57.99 3hox s VAL 1160Cb -0.17 -2.12 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 3hox s VAL 1160CO -0.09 -0.20 0.06 -1.00 -0.31 0.00 0.00 175.10 173.56 3hox s HIS 1161N -1.90 3.28 0.08 2.82 3.76 -1.26 -0.87 115.29 121.20 3hox s HIS 1161Ca 0.22 0.16 0.08 0.00 -0.15 0.00 0.00 55.06 55.37 3hox s HIS 1161Cb -0.07 -1.99 -0.03 0.00 1.11 0.00 0.00 32.58 31.60 3hox s HIS 1161CO 0.10 0.31 -0.23 0.96 -0.85 0.00 0.00 174.74 175.04 3hox s ILE 1162N -0.12 1.85 0.31 0.60 -4.36 -0.89 -4.32 121.20 114.27 3hox s ILE 1162Ca 0.07 -1.43 -0.23 0.00 -0.26 0.00 0.00 60.65 58.80 3hox s ILE 1162Cb -0.12 -1.63 -0.10 0.00 1.25 0.00 0.00 42.46 41.86 3hox s ILE 1162CO 0.01 0.13 0.88 0.00 0.24 0.00 0.00 174.94 176.20 3hox n GLY 1164N 0.40 -1.38 0.00 0.00 0.00 -0.96 -4.14 105.19 99.11 3hox n GLY 1164Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3hox n GLY 1164CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hox n ILE 1165N -1.40 0.00 -3.52 -0.61 5.41 -1.26 -4.82 119.36 113.15 3hox n ILE 1165Ca 0.09 0.39 -0.37 0.00 1.00 0.00 0.00 62.75 63.86 3hox n ILE 1165Cb 0.31 -1.26 -0.08 0.00 -0.71 0.00 0.00 39.64 37.90 3hox n ILE 1165CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hox n GLY 1167N 4.05 1.43 3.66 0.00 0.00 -1.26 -4.11 105.19 108.96 3hox n GLY 1167Ca -0.12 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 3hox n GLY 1167CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hox s LEU 1168N 0.00 3.07 -0.03 0.99 1.43 -1.26 0.12 118.68 123.01 3hox s LEU 1168Ca 0.12 -0.89 0.02 0.00 -1.03 0.00 0.00 54.13 52.35 3hox s LEU 1168Cb 0.06 -1.49 0.12 0.00 0.03 0.00 0.00 46.19 44.90 3hox s LEU 1168CO 0.00 -0.22 0.74 0.23 0.23 0.00 0.00 176.35 177.33 3hox n MET 1169N -0.99 1.53 -0.14 1.70 2.81 -1.26 -2.40 117.12 118.38 3hox n MET 1169Ca -0.04 -0.46 -0.04 0.00 -1.81 0.00 0.00 57.70 55.36 3hox n MET 1169Cb 0.62 -1.54 0.03 0.00 -0.71 0.00 0.00 33.22 31.62 3hox n MET 1169CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3hox h THR 1170N 0.60 0.61 -0.27 2.03 2.02 -1.92 -3.46 112.91 112.51 3hox h THR 1170Ca 0.00 -0.02 -0.19 0.00 0.77 0.00 0.00 66.41 66.97 3hox h THR 1170Cb 0.64 0.55 0.02 0.00 -1.74 0.00 0.00 68.15 67.62 3hox h THR 1170CO 0.06 0.01 -0.07 0.52 0.37 0.00 0.00 175.52 176.41 3hox n VAL 1171N -5.27 0.30 -2.85 3.16 0.31 -1.26 -4.89 118.33 107.84 3hox n VAL 1171Ca 0.04 -0.08 -0.33 0.00 -0.01 0.00 0.00 64.34 63.96 3hox n VAL 1171Cb 0.24 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.16 3hox n VAL 1171CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3hox n ILE 1172N 0.18 4.38 -2.01 2.52 5.41 -0.70 -4.91 119.36 124.22 3hox n ILE 1172Ca 0.05 -5.75 -0.42 0.00 1.00 0.00 0.00 62.75 57.63 3hox n ILE 1172Cb 0.05 -1.53 -0.03 0.00 -0.71 0.00 0.00 39.64 37.42 3hox n ILE 1172CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hox s ALA 1173N -3.74 3.64 -0.44 -1.39 0.00 -1.23 -4.57 121.76 114.04 3hox s ALA 1173Ca 0.44 1.07 0.04 0.00 0.00 0.00 0.00 51.96 53.51 3hox s ALA 1173Cb 0.23 -3.69 0.48 0.00 0.00 0.00 0.00 23.12 20.14 3hox s ALA 1173CO -0.12 -1.13 1.59 1.63 0.00 0.00 0.00 175.76 177.73 3hox n LYS 1174N 5.91 2.86 -0.80 0.00 5.02 -0.28 -5.00 118.16 125.88 3hox n LYS 1174Ca 0.16 -3.60 -0.15 0.00 -2.02 0.00 0.00 58.31 52.70 3hox n LYS 1174Cb 0.42 -2.19 -0.11 0.00 -0.02 0.00 0.00 35.03 33.13 3hox n LYS 1174CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 3hox n LEU 1175N -0.89 -0.50 0.00 -0.35 -0.00 -1.26 -1.78 117.00 112.22 3hox n LEU 1175Ca 0.50 -0.17 0.00 0.00 -0.00 0.00 0.00 56.01 56.33 3hox n LEU 1175Cb 0.91 -0.35 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 3hox n LEU 1175CO 0.52 -0.65 0.00 -3.20 -0.00 0.00 0.00 177.39 174.06 3hox n ASN 1176N 3.74 0.00 -0.15 1.45 2.85 -1.26 -4.78 115.26 117.12 3hox n ASN 1176Ca 0.36 0.00 0.03 0.00 -0.11 0.00 0.00 54.58 54.86 3hox n ASN 1176Cb 0.06 0.00 0.05 0.00 1.24 0.00 0.00 39.78 41.12 3hox n ASN 1176CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 3hox n HIS 1177N 0.00 0.00 -0.91 1.20 8.25 -0.73 -4.98 115.22 118.04 3hox n HIS 1177Ca 0.00 -0.45 -0.05 0.00 -0.26 0.00 0.00 57.72 56.96 3hox n HIS 1177Cb 0.00 -0.07 -0.02 0.00 1.12 0.00 0.00 29.99 31.01 3hox n HIS 1177CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3hox n ASN 1178N -0.59 -3.46 -4.79 0.41 4.13 -1.25 -4.92 115.26 104.79 3hox n ASN 1178Ca 0.05 0.13 -0.36 0.00 1.68 0.00 0.00 54.58 56.08 3hox n ASN 1178Cb 0.54 -2.62 -0.06 0.00 -1.54 0.00 0.00 39.78 36.09 3hox n ASN 1178CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3hox s GLN 1179N -1.96 4.41 0.04 3.52 -0.21 -1.26 -4.88 119.66 119.31 3hox s GLN 1179Ca 0.00 1.36 0.00 0.00 0.02 0.00 0.00 55.36 56.74 3hox s GLN 1179Cb 0.00 -2.64 0.00 0.00 1.00 0.00 0.00 33.01 31.37 3hox s GLN 1179CO 0.00 0.11 0.00 1.19 -2.12 0.00 0.00 175.29 174.47 3hox n PHE 1180N 0.20 -0.22 -0.91 0.91 3.01 -1.26 -1.12 117.46 118.06 3hox n PHE 1180Ca 0.04 0.04 0.03 0.00 1.01 0.00 0.00 57.45 58.57 3hox n PHE 1180Cb 0.50 0.22 -0.02 0.00 -0.01 0.00 0.00 39.48 40.17 3hox n PHE 1180CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 3hox n GLU 1181N -2.70 -1.02 -2.78 -1.08 2.13 -1.26 -2.80 120.64 111.12 3hox n GLU 1181Ca 0.00 0.82 -0.10 0.00 0.66 0.00 0.00 57.16 58.54 3hox n GLU 1181Cb 0.00 -1.48 0.08 0.00 0.27 0.00 0.00 31.44 30.31 3hox n GLU 1181CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hox n LYS 1183N 0.07 0.16 0.00 0.00 -0.00 -1.26 -1.31 118.16 115.82 3hox n LYS 1183Ca 0.07 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 3hox n LYS 1183Cb 0.74 -1.28 0.00 0.00 -0.00 0.00 0.00 35.03 34.49 3hox n LYS 1183CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hox n GLY 1184N 1.81 0.76 0.00 2.58 0.00 -1.26 -4.49 105.19 104.60 3hox n GLY 1184Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3hox n GLY 1184CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hox n ASP 1186N -1.07 -7.37 0.00 0.00 -0.08 -0.61 -5.03 116.55 102.39 3hox n ASP 1186Ca 0.00 0.70 0.00 0.00 -1.51 0.00 0.00 54.79 53.98 3hox n ASP 1186Cb 0.00 -4.17 0.00 0.00 2.34 0.00 0.00 41.12 39.29 3hox n ASP 1186CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 3hox n ASN 1187N 0.30 0.00 0.00 1.67 2.85 -1.25 -4.92 115.26 113.91 3hox n ASN 1187Ca 0.03 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 3hox n ASN 1187Cb 0.35 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.37 3hox n ASN 1187CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3hox n LYS 1188N 0.00 0.00 0.06 1.20 5.02 -1.26 -4.73 118.16 118.45 3hox n LYS 1188Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3hox n LYS 1188Cb 0.00 -0.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.64 3hox n LYS 1188CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3hox n ILE 1189N -2.05 0.47 -3.04 -0.18 5.41 -1.26 -4.67 119.36 114.05 3hox n ILE 1189Ca 0.00 0.16 -0.45 0.00 1.00 0.00 0.00 62.75 63.46 3hox n ILE 1189Cb 0.00 -1.11 -0.02 0.00 -0.71 0.00 0.00 39.64 37.81 3hox n ILE 1189CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3hox s ASP 1190N -5.38 6.83 0.05 4.38 2.15 -1.26 -4.98 116.67 118.47 3hox s ASP 1190Ca 0.00 -2.55 0.03 0.00 0.43 0.00 0.00 52.55 50.46 3hox s ASP 1190Cb 0.00 -2.35 -0.03 0.00 -0.30 0.00 0.00 42.92 40.24 3hox s ASP 1190CO 0.00 -0.83 -0.10 -0.63 -0.17 0.00 0.00 175.17 173.44 3hox s ILE 1191N 1.61 0.75 0.31 4.11 1.01 -1.26 -2.27 121.20 125.46 3hox s ILE 1191Ca 0.33 -1.18 0.03 0.00 0.00 0.00 0.00 60.65 59.83 3hox s ILE 1191Cb -0.06 -0.80 -0.05 0.00 0.01 0.00 0.00 42.46 41.56 3hox s ILE 1191CO -0.07 -0.33 0.09 -0.31 0.00 0.00 0.00 174.94 174.32 3hox s TYR 1192N -1.38 1.76 -0.02 3.97 1.51 -0.94 -4.97 117.35 117.28 3hox s TYR 1192Ca -0.07 -1.11 0.03 0.00 -1.01 0.00 0.00 57.07 54.91 3hox s TYR 1192Cb -0.10 -1.09 -0.00 0.00 -0.11 0.00 0.00 41.96 40.66 3hox s TYR 1192CO 0.01 -0.20 -0.09 1.14 -1.11 0.00 0.00 175.55 175.30 3hox s GLN 1193N -3.92 0.87 0.09 -0.62 -2.07 -1.26 -2.10 119.66 110.65 3hox s GLN 1193Ca 0.35 -0.31 0.03 0.00 -1.82 0.00 0.00 55.36 53.62 3hox s GLN 1193Cb 0.07 -0.83 -0.04 0.00 -1.09 0.00 0.00 33.01 31.13 3hox s GLN 1193CO 0.15 0.14 -0.10 0.96 -1.32 0.00 0.00 175.29 175.13 3hox s ILE 1194N 0.05 0.88 -0.34 3.63 -4.36 -0.05 -4.98 121.20 116.03 3hox s ILE 1194Ca -0.01 -1.62 -0.07 0.00 -0.26 0.00 0.00 60.65 58.69 3hox s ILE 1194Cb -0.07 -1.32 0.03 0.00 1.25 0.00 0.00 42.46 42.35 3hox s ILE 1194CO 0.00 -0.57 0.12 -1.00 0.24 0.00 0.00 174.94 173.73 3hox s HIS 1195N -2.47 3.24 0.14 1.37 3.76 -1.26 -2.21 115.29 117.87 3hox s HIS 1195Ca 0.05 -1.31 0.03 0.00 -0.15 0.00 0.00 55.06 53.68 3hox s HIS 1195Cb -0.03 -2.30 -0.04 0.00 1.11 0.00 0.00 32.58 31.32 3hox s HIS 1195CO -0.00 -0.70 -0.06 0.96 -0.85 0.00 0.00 174.74 174.08 3hox s ILE 1196N 1.44 0.89 -0.02 0.60 -4.36 -0.88 -4.92 121.20 113.94 3hox s ILE 1196Ca -0.01 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.08 3hox s ILE 1196Cb -0.19 -1.88 -0.05 0.00 1.25 0.00 0.00 42.46 41.58 3hox s ILE 1196CO 0.03 -0.70 1.48 -2.16 0.24 0.00 0.00 174.94 173.83 3hox s PRO 1197N -3.82 4.24 0.54 0.37 0.04 -1.26 -0.99 135.00 134.11 3hox s PRO 1197Ca 0.17 2.04 0.45 0.00 0.04 0.00 0.00 61.00 63.70 3hox s PRO 1197Cb 0.04 -3.70 1.66 0.00 0.04 0.00 0.00 34.50 32.55 3hox s PRO 1197CO -0.00 -0.68 1.61 -0.92 0.04 0.00 0.00 177.00 177.05 3hox h TYR 1198N 8.36 0.10 -0.46 0.56 3.20 -1.86 2.62 116.97 129.48 3hox h TYR 1198Ca -0.38 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.51 3hox h TYR 1198Cb 1.17 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.40 3hox h TYR 1198CO 0.79 -0.04 0.30 0.00 -1.64 0.00 0.00 178.16 177.57 3hox h ALA 1199N 1.17 1.71 0.00 1.82 0.00 -1.89 -1.42 119.26 120.67 3hox h ALA 1199Ca 0.87 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.61 3hox h ALA 1199Cb 3.37 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 20.96 3hox h ALA 1199CO -0.09 0.25 -1.04 0.00 0.00 0.00 0.00 179.25 178.37 3hox h ALA 1200N 1.72 0.64 -0.89 0.00 0.00 0.42 -2.28 119.26 118.88 3hox h ALA 1200Ca 0.17 -0.70 0.05 0.00 0.00 0.00 0.00 54.91 54.44 3hox h ALA 1200Cb -0.01 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 3hox h ALA 1200CO -0.04 0.82 0.58 -0.22 0.00 0.00 0.00 179.25 180.39 3hox h LYS 1201N 0.00 1.03 0.62 0.00 3.64 -0.60 -1.18 116.57 120.08 3hox h LYS 1201Ca -0.09 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.19 3hox h LYS 1201Cb 1.51 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 33.11 3hox h LYS 1201CO 0.06 0.68 -0.30 1.25 -2.27 0.00 0.00 179.45 178.87 3hox h LEU 1202N 1.06 -0.71 -1.06 5.20 6.46 -1.29 -2.02 115.31 122.94 3hox h LEU 1202Ca 0.37 0.02 0.41 0.00 -0.12 0.00 0.00 57.88 58.55 3hox h LEU 1202Cb 0.12 0.18 -0.17 0.00 -0.73 0.00 0.00 40.66 40.07 3hox h LEU 1202CO -0.13 -0.32 0.59 0.25 -0.62 0.00 0.00 178.44 178.22 3hox h LEU 1203N -1.21 0.34 0.37 2.25 5.85 -1.01 0.39 115.31 122.29 3hox h LEU 1203Ca -0.09 0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 3hox h LEU 1203Cb 0.65 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.91 3hox h LEU 1203CO 0.14 -0.35 -0.18 -0.26 -0.34 0.00 0.00 178.44 177.45 3hox h PHE 1204N 0.07 -0.46 -0.97 1.25 0.05 -1.18 -0.04 116.94 115.66 3hox h PHE 1204Ca 0.83 -0.01 0.18 0.00 3.82 0.00 0.00 57.97 62.79 3hox h PHE 1204Cb 2.21 0.15 -0.09 0.00 2.00 0.00 0.00 35.95 40.22 3hox h PHE 1204CO -0.01 -0.22 0.61 1.96 -0.18 0.00 0.00 178.31 180.47 3hox h GLN 1205N -1.08 0.67 0.42 1.51 4.20 -0.27 -0.10 115.11 120.46 3hox h GLN 1205Ca -0.05 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 3hox h GLN 1205Cb 0.45 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3hox h GLN 1205CO 0.08 0.44 -0.20 0.93 -0.67 0.00 0.00 178.83 179.42 3hox h GLU 1206N 0.69 -0.54 -0.14 1.46 5.08 -0.33 0.04 114.58 120.85 3hox h GLU 1206Ca 0.52 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.96 3hox h GLU 1206Cb 0.90 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 3hox h GLU 1206CO -0.29 -0.25 0.33 -0.07 -1.00 0.00 0.00 179.01 177.73 3hox h LEU 1207N -0.77 0.00 0.09 1.33 3.38 0.18 0.55 115.31 120.07 3hox h LEU 1207Ca -0.06 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.63 3hox h LEU 1207Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3hox h LEU 1207CO 0.09 0.00 -1.39 0.24 0.09 0.00 0.00 178.44 177.47 3hox h MET 1208N 0.00 0.18 0.00 1.13 2.86 -0.51 0.28 114.93 118.87 3hox h MET 1208Ca 0.06 -0.31 -0.00 0.00 -2.06 0.00 0.00 59.70 57.39 3hox h MET 1208Cb 0.73 0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.50 3hox h MET 1208CO -0.00 1.05 -0.01 0.00 1.06 0.00 0.00 176.91 179.01 3hox h ALA 1209N 0.66 1.02 -0.66 6.32 0.00 0.21 0.50 119.26 127.30 3hox h ALA 1209Ca -0.18 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 3hox h ALA 1209Cb 1.96 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.66 3hox h ALA 1209CO 0.16 0.01 0.18 -1.33 0.00 0.00 0.00 179.25 178.27 3hox n MET 1210N -3.12 3.91 -2.72 0.00 2.00 -0.84 -4.93 117.12 111.41 3hox n MET 1210Ca -0.01 -3.10 -0.21 0.00 0.00 0.00 0.00 57.70 54.38 3hox n MET 1210Cb 0.21 -2.20 0.01 0.00 0.00 0.00 0.00 33.22 31.24 3hox n MET 1210CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3hox n ASN 1211N -0.03 -5.64 -4.33 7.83 2.85 0.17 -5.00 115.26 111.11 3hox n ASN 1211Ca 0.37 -0.13 -0.33 0.00 -0.11 0.00 0.00 54.58 54.38 3hox n ASN 1211Cb 1.31 -4.64 -0.14 0.00 1.24 0.00 0.00 39.78 37.54 3hox n ASN 1211CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3hox s ILE 1212N -3.04 3.00 -0.33 -1.44 -1.09 0.98 -4.98 121.20 114.29 3hox s ILE 1212Ca 0.15 -0.66 -0.19 0.00 -2.23 0.00 0.00 60.65 57.72 3hox s ILE 1212Cb -0.07 -2.28 -0.01 0.00 -1.58 0.00 0.00 42.46 38.52 3hox s ILE 1212CO 0.18 0.51 0.57 0.42 -1.23 0.00 0.00 174.94 175.39 3hox s THR 1213N 0.67 4.97 -0.99 2.92 -4.23 -1.26 -3.20 115.64 114.52 3hox s THR 1213Ca -0.06 0.58 -0.04 0.00 -1.18 0.00 0.00 61.69 60.99 3hox s THR 1213Cb -0.15 -3.99 0.27 0.00 1.34 0.00 0.00 72.50 69.97 3hox s THR 1213CO 0.02 -0.20 1.09 -0.81 -0.54 0.00 0.00 174.62 174.19 3hox n PRO 1214N 5.84 3.46 -1.73 3.99 -0.04 -1.26 -5.04 135.00 140.21 3hox n PRO 1214Ca -0.03 -4.52 -0.41 0.00 -0.04 0.00 0.00 63.50 58.50 3hox n PRO 1214Cb 0.49 -2.46 0.01 0.00 -0.04 0.00 0.00 33.50 31.49 3hox n PRO 1214CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hox n ARG 1215N 1.92 2.16 -4.08 0.54 5.12 -1.25 -4.76 116.66 116.31 3hox n ARG 1215Ca 0.25 0.77 -0.32 0.00 -1.93 0.00 0.00 57.85 56.61 3hox n ARG 1215Cb 0.37 -2.48 -0.15 0.00 -1.16 0.00 0.00 32.46 29.03 3hox n ARG 1215CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3hox s LEU 1216N -1.89 3.04 -0.13 0.55 1.43 0.33 -4.88 118.68 117.14 3hox s LEU 1216Ca 0.59 -1.18 -0.00 0.00 -1.03 0.00 0.00 54.13 52.51 3hox s LEU 1216Cb -0.50 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 3hox s LEU 1216CO 0.59 -0.14 -0.12 -0.31 0.23 0.00 0.00 176.35 176.61 3hox s TYR 1217N 1.17 2.84 0.50 0.29 2.02 -1.26 -4.52 117.35 118.38 3hox s TYR 1217Ca -0.05 -0.57 0.14 0.00 -0.37 0.00 0.00 57.07 56.22 3hox s TYR 1217Cb -0.18 -1.85 1.18 0.00 -0.40 0.00 0.00 41.96 40.71 3hox s TYR 1217CO -0.07 -0.17 2.13 1.15 -1.57 0.00 0.00 175.55 177.02 3hox h THR 1218N 5.32 1.02 -1.89 -0.71 2.02 -1.95 -3.44 112.91 113.28 3hox h THR 1218Ca -0.27 -0.05 -0.59 0.00 0.77 0.00 0.00 66.41 66.27 3hox h THR 1218Cb 1.21 0.90 -0.13 0.00 -1.74 0.00 0.00 68.15 68.39 3hox h THR 1218CO 0.56 0.02 -0.59 1.51 0.37 0.00 0.00 175.52 177.40 3hox s ASP 1219N -6.99 3.41 0.03 4.18 1.47 -1.26 -5.15 116.67 112.36 3hox s ASP 1219Ca -0.06 -1.43 0.06 0.00 1.18 0.00 0.00 52.55 52.31 3hox s ASP 1219Cb 0.17 -0.13 -0.03 0.00 -0.34 0.00 0.00 42.92 42.58 3hox s ASP 1219CO 0.68 -0.58 -0.15 0.00 0.68 0.00 0.00 175.17 175.81 3hox s ARG 1220N -3.79 2.21 -0.02 2.11 1.70 -1.26 -5.06 118.95 114.84 3hox s ARG 1220Ca 0.31 -0.91 -0.03 0.00 -0.47 0.00 0.00 55.73 54.63 3hox s ARG 1220Cb 0.08 -2.28 -0.01 0.00 -0.57 0.00 0.00 34.95 32.18 3hox s ARG 1220CO 0.15 0.56 -0.05 -1.13 -1.08 0.00 0.00 175.30 173.74 3hox n SER 1221N 1.54 0.39 -2.38 -2.89 3.41 -1.26 -4.80 113.62 107.64 3hox n SER 1221Ca -0.16 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 3hox n SER 1221Cb 0.52 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 3hox n SER 1221CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hox n ARG 1222N -2.89 0.00 0.00 4.33 1.74 -1.26 -4.89 116.66 113.69 3hox n ARG 1222Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3hox n ARG 1222Cb 0.08 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 3hox n ARG 1222CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3hox n ASP 1223N 2.43 0.00 0.00 0.55 -0.08 -1.26 -5.36 116.55 112.83 3hox n ASP 1223Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3hox n ASP 1223Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3hox n ASP 1223CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65