#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hox n GLN 3 N 0.00 0.00 -2.37 -1.24 10.64 -1.26 -3.74 117.38 119.41 3hox n GLN 3 Ca 0.00 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 54.80 3hox n GLN 3 Cb 0.00 0.00 0.02 0.00 -0.86 0.00 0.00 30.24 29.40 3hox n GLN 3 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 3hox n GLU 4 N 0.00 3.81 -0.01 2.61 -0.58 -1.26 -3.78 120.64 121.44 3hox n GLU 4 Ca 0.00 -4.22 0.04 0.00 -0.42 0.00 0.00 57.16 52.55 3hox n GLU 4 Cb 0.00 -2.33 -0.06 0.00 -0.57 0.00 0.00 31.44 28.48 3hox n GLU 4 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3hox n ASN 5 N -0.34 3.16 -0.00 1.62 4.05 -1.25 -4.37 115.26 118.13 3hox n ASN 5 Ca 0.46 0.00 -0.11 0.00 0.45 0.00 0.00 54.58 55.39 3hox n ASN 5 Cb 0.33 1.33 -0.07 0.00 1.23 0.00 0.00 39.78 42.60 3hox n ASN 5 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 177.26 174.13 3hox h GLU 6 N 0.00 -0.41 -0.47 1.20 4.57 -1.72 -2.70 114.58 115.04 3hox h GLU 6 Ca -0.01 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3hox h GLU 6 Cb 0.42 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 3hox h GLU 6 CO 0.00 -0.27 0.30 0.07 -1.18 0.00 0.00 179.01 177.93 3hox h ARG 7 N -0.43 0.63 0.00 1.92 -0.00 -1.86 -2.64 114.38 112.00 3hox h ARG 7 Ca 0.02 -0.04 0.00 0.00 -0.00 0.00 0.00 59.98 59.96 3hox h ARG 7 Cb 0.49 -0.14 0.00 0.00 -0.00 0.00 0.00 29.97 30.32 3hox h ARG 7 CO -0.31 0.43 0.17 0.09 -0.00 0.00 0.00 179.97 180.36 3hox n ASN 8 N -4.74 0.03 -0.12 0.08 3.02 -1.03 0.02 115.26 112.52 3hox n ASN 8 Ca 0.02 0.35 -0.21 0.00 -0.03 0.00 0.00 54.58 54.71 3hox n ASN 8 Cb 0.03 -0.35 -0.09 0.00 -0.61 0.00 0.00 39.78 38.76 3hox n ASN 8 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3hox n ILE 9 N -1.39 1.32 -0.35 2.41 5.41 -1.03 -3.54 119.36 122.19 3hox n ILE 9 Ca -0.00 -0.41 0.25 0.00 1.00 0.00 0.00 62.75 63.59 3hox n ILE 9 Cb 0.18 -1.59 0.50 0.00 -0.71 0.00 0.00 39.64 38.02 3hox n ILE 9 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 3hox h SER 10 N -0.48 0.47 0.29 4.38 0.87 -0.10 0.79 113.55 119.78 3hox h SER 10 Ca -0.57 0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.13 3hox h SER 10 Cb 1.65 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.71 3hox h SER 10 CO -0.24 -0.06 -0.14 0.03 -0.53 0.00 0.00 176.83 175.89 3hox h ARG 11 N 0.33 -0.37 -0.69 2.24 3.08 -1.23 -1.89 114.38 115.84 3hox h ARG 11 Ca 0.71 0.03 0.20 0.00 0.07 0.00 0.00 59.98 60.98 3hox h ARG 11 Cb 1.75 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.86 3hox h ARG 11 CO -0.48 -0.25 0.92 1.25 -1.07 0.00 0.00 179.97 180.34 3hox h LEU 12 N -0.74 0.00 0.15 3.04 5.85 -1.07 0.37 115.31 122.91 3hox h LEU 12 Ca -0.04 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3hox h LEU 12 Cb 0.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.33 3hox h LEU 12 CO 0.07 0.00 -0.07 -0.25 -0.34 0.00 0.00 178.44 177.84 3hox h TRP 13 N 0.00 -0.19 -0.26 1.25 7.01 0.63 -2.78 115.95 121.62 3hox h TRP 13 Ca 0.33 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.37 3hox h TRP 13 Cb 2.16 0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 29.24 3hox h TRP 13 CO 0.00 -0.12 -0.02 0.00 -2.79 0.00 0.00 178.44 175.51 3hox h ARG 14 N -0.94 0.05 -0.90 2.65 3.08 0.07 -0.32 114.38 118.06 3hox h ARG 14 Ca -0.02 -0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.21 3hox h ARG 14 Cb 0.16 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.13 3hox h ARG 14 CO 0.03 0.03 0.59 0.00 -1.07 0.00 0.00 179.97 179.55 3hox h ALA 15 N 1.23 2.07 0.88 0.04 0.00 -0.56 -1.36 119.26 121.57 3hox h ALA 15 Ca 0.12 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3hox h ALA 15 Cb 0.17 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.91 3hox h ALA 15 CO -0.23 -0.35 -0.42 0.35 0.00 0.00 0.00 179.25 178.60 3hox h PHE 16 N 0.50 -1.09 -0.76 0.00 3.57 -0.77 -2.87 116.94 115.51 3hox h PHE 16 Ca 0.47 -0.03 0.08 0.00 3.53 0.00 0.00 57.97 62.02 3hox h PHE 16 Cb 1.03 0.36 -0.11 0.00 2.79 0.00 0.00 35.95 40.02 3hox h PHE 16 CO -0.00 -0.68 -0.55 -0.09 -2.23 0.00 0.00 178.31 174.76 3hox h ARG 17 N -1.21 -0.15 -0.85 1.11 2.43 -0.72 0.27 114.38 115.26 3hox h ARG 17 Ca -0.12 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.21 3hox h ARG 17 Cb 0.90 0.03 -0.15 0.00 -0.42 0.00 0.00 29.97 30.34 3hox h ARG 17 CO 0.20 -0.10 -0.33 1.15 -1.51 0.00 0.00 179.97 179.38 3hox h THR 18 N -0.15 0.08 -0.65 0.20 2.02 -1.39 1.20 112.91 114.22 3hox h THR 18 Ca 0.15 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.45 3hox h THR 18 Cb 0.50 0.08 -0.09 0.00 -1.74 0.00 0.00 68.15 66.91 3hox h THR 18 CO -0.81 0.00 0.20 0.58 0.37 0.00 0.00 175.52 175.87 3hox h VAL 19 N -0.05 0.67 0.04 3.16 2.07 -0.28 0.70 116.25 122.55 3hox h VAL 19 Ca 0.34 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.74 3hox h VAL 19 Cb 0.60 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3hox h VAL 19 CO -0.88 0.06 -0.03 0.11 0.02 0.00 0.00 177.57 176.85 3hox h LYS 20 N 0.35 -0.07 -0.96 1.57 1.79 0.23 0.27 116.57 119.75 3hox h LYS 20 Ca 0.35 0.00 0.16 0.00 -2.18 0.00 0.00 60.65 58.98 3hox h LYS 20 Cb 0.50 0.02 -0.16 0.00 -1.58 0.00 0.00 32.23 31.01 3hox h LYS 20 CO -0.39 -0.05 -0.36 0.93 -1.08 0.00 0.00 179.45 178.51 3hox h GLU 21 N -0.07 -0.01 -0.47 3.15 5.08 0.58 0.39 114.58 123.23 3hox h GLU 21 Ca -0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3hox h GLU 21 Cb 0.06 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 3hox h GLU 21 CO -0.00 -0.01 0.25 1.98 -1.00 0.00 0.00 179.01 180.23 3hox h MET 22 N -0.01 0.49 -0.03 2.33 4.05 0.54 -0.04 114.93 122.25 3hox h MET 22 Ca 0.36 -0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.72 3hox h MET 22 Cb 0.62 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.30 3hox h MET 22 CO -0.97 0.32 -0.16 0.28 0.23 0.00 0.00 176.91 176.62 3hox h VAL 23 N 0.50 1.13 -0.02 -5.77 2.07 0.33 -1.49 116.25 113.01 3hox h VAL 23 Ca 0.20 -0.62 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 3hox h VAL 23 Cb 0.07 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3hox h VAL 23 CO -0.12 0.18 -0.17 0.07 0.02 0.00 0.00 177.57 177.55 3hox h LYS 24 N 0.05 0.15 -0.99 1.57 2.10 0.06 -3.05 116.57 116.46 3hox h LYS 24 Ca 0.01 -0.14 0.06 0.00 -2.00 0.00 0.00 60.65 58.58 3hox h LYS 24 Cb 0.31 0.03 -0.06 0.00 -0.90 0.00 0.00 32.23 31.61 3hox h LYS 24 CO 0.02 0.83 0.64 -0.44 -2.00 0.00 0.00 179.45 178.50 3hox h ASP 25 N -0.47 1.02 -0.52 7.07 3.32 -0.82 0.71 116.42 126.73 3hox h ASP 25 Ca -0.02 0.01 0.15 0.00 0.02 0.00 0.00 57.03 57.19 3hox h ASP 25 Cb 0.87 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 3hox h ASP 25 CO 0.04 0.66 0.63 0.03 -1.72 0.00 0.00 179.24 178.87 3hox h ARG 26 N 1.16 0.00 0.00 3.56 2.47 -1.30 -3.42 114.38 116.85 3hox h ARG 26 Ca 0.42 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.14 3hox h ARG 26 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 3hox h ARG 26 CO -0.16 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.78 3hox n GLY 27 N -1.52 0.91 3.31 0.04 0.00 0.17 -5.09 105.19 103.02 3hox n GLY 27 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 3hox n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hox s TYR 28 N -1.20 2.14 -0.03 1.61 4.12 -0.77 -2.71 117.35 120.51 3hox s TYR 28 Ca 0.00 -0.40 -0.30 0.00 0.02 0.00 0.00 57.07 56.39 3hox s TYR 28 Cb 0.00 -1.28 -0.06 0.00 -1.52 0.00 0.00 41.96 39.10 3hox s TYR 28 CO 0.00 0.12 1.63 0.12 0.02 0.00 0.00 175.55 177.44 3hox s PHE 29 N -0.81 2.12 -0.28 2.71 5.36 0.64 -4.38 117.98 123.33 3hox s PHE 29 Ca 0.10 0.27 -0.15 0.00 -0.96 0.00 0.00 56.93 56.19 3hox s PHE 29 Cb -0.10 -3.90 0.09 0.00 -0.34 0.00 0.00 43.02 38.77 3hox s PHE 29 CO 0.02 -3.73 0.69 0.42 -1.46 0.00 0.00 175.22 171.16 3hox s ILE 30 N 3.67 -0.16 0.92 3.12 1.01 -1.26 -4.42 121.20 124.09 3hox s ILE 30 Ca 0.73 0.00 -0.12 0.00 0.00 0.00 0.00 60.65 61.26 3hox s ILE 30 Cb -0.34 -1.00 0.15 0.00 0.01 0.00 0.00 42.46 41.27 3hox s ILE 30 CO 0.30 0.00 1.10 0.42 0.00 0.00 0.00 174.94 176.76 3hox s THR 31 N 1.83 2.38 -0.00 2.92 -4.23 -1.26 -4.95 115.64 112.33 3hox s THR 31 Ca -0.09 0.12 0.11 0.00 -1.18 0.00 0.00 61.69 60.65 3hox s THR 31 Cb -0.06 -2.69 -0.15 0.00 1.34 0.00 0.00 72.50 70.94 3hox s THR 31 CO -0.20 -0.16 1.13 -0.61 -0.54 0.00 0.00 174.62 174.24 3hox h GLN 32 N -1.61 0.00 -0.28 3.99 5.75 -2.02 -3.11 115.11 117.83 3hox h GLN 32 Ca -0.51 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 57.82 3hox h GLN 32 Cb 1.31 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.85 3hox h GLN 32 CO 0.58 0.70 -0.51 0.93 -2.65 0.00 0.00 178.83 177.88 3hox h GLU 33 N 0.00 0.78 -0.98 1.69 3.07 -1.96 -1.17 114.58 116.01 3hox h GLU 33 Ca -0.09 -0.47 0.28 0.00 -0.50 0.00 0.00 59.36 58.59 3hox h GLU 33 Cb 1.72 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 29.63 3hox h GLU 33 CO 0.09 1.10 0.77 1.49 -1.40 0.00 0.00 179.01 181.06 3hox h GLU 34 N 0.61 0.00 0.00 2.33 4.57 -1.91 -2.47 114.58 117.71 3hox h GLU 34 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3hox h GLU 34 Cb 1.09 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 3hox h GLU 34 CO 0.11 0.00 0.00 0.28 -1.18 0.00 0.00 179.01 178.22 3hox n VAL 35 N -4.04 0.00 0.00 0.32 0.31 -0.87 -4.38 118.33 109.68 3hox n VAL 35 Ca 0.21 0.49 0.00 0.00 -0.01 0.00 0.00 64.34 65.03 3hox n VAL 35 Cb 1.10 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.55 3hox n VAL 35 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hox n GLU 36 N -2.23 0.00 -1.48 5.55 1.02 -0.50 -4.71 120.64 118.29 3hox n GLU 36 Ca 0.00 0.00 -0.47 0.00 -0.02 0.00 0.00 57.16 56.67 3hox n GLU 36 Cb 0.00 -0.99 -0.07 0.00 -0.02 0.00 0.00 31.44 30.36 3hox n GLU 36 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3hox n LEU 37 N -0.21 2.14 -4.23 -4.62 7.94 -0.95 -4.91 117.00 112.16 3hox n LEU 37 Ca 0.00 0.26 -0.28 0.00 -1.11 0.00 0.00 56.01 54.88 3hox n LEU 37 Cb 0.00 -1.31 0.21 0.00 0.53 0.00 0.00 43.42 42.85 3hox n LEU 37 CO 0.00 -0.83 -0.07 -0.81 -1.11 0.00 0.00 177.39 174.57 3hox n PRO 38 N 8.39 -2.55 0.28 1.96 -0.04 -1.26 -4.80 135.00 136.98 3hox n PRO 38 Ca 0.41 -0.74 -0.11 0.00 -0.04 0.00 0.00 63.50 63.02 3hox n PRO 38 Cb 0.28 -1.76 -0.05 0.00 -0.04 0.00 0.00 33.50 31.92 3hox n PRO 38 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3hox h LEU 39 N -2.63 -0.61 -0.44 1.53 5.85 -2.00 -2.96 115.31 114.05 3hox h LEU 39 Ca -0.46 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.36 3hox h LEU 39 Cb 1.21 0.16 -0.10 0.00 0.37 0.00 0.00 40.66 42.30 3hox h LEU 39 CO 0.32 -0.43 -0.38 1.05 -0.34 0.00 0.00 178.44 178.67 3hox h GLU 40 N -0.73 -0.26 -0.48 1.25 9.09 -2.00 0.91 114.58 122.37 3hox h GLU 40 Ca -0.07 0.02 0.14 0.00 0.05 0.00 0.00 59.36 59.49 3hox h GLU 40 Cb 0.55 0.06 -0.02 0.00 -1.65 0.00 0.00 28.75 27.69 3hox h GLU 40 CO 0.12 -0.17 0.51 -0.44 0.05 0.00 0.00 179.01 179.08 3hox h ASP 41 N -0.27 0.00 0.04 3.06 5.19 -1.86 0.66 116.42 123.24 3hox h ASP 41 Ca 0.17 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.58 3hox h ASP 41 Cb 0.56 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.07 3hox h ASP 41 CO -0.59 0.00 -0.02 0.15 -3.12 0.00 0.00 179.24 175.66 3hox h PHE 42 N 0.00 -0.05 -0.81 4.55 3.57 -0.65 -3.35 116.94 120.20 3hox h PHE 42 Ca 0.23 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.86 3hox h PHE 42 Cb 1.25 0.02 -0.09 0.00 2.79 0.00 0.00 35.95 39.92 3hox h PHE 42 CO 0.00 -0.03 0.41 1.57 -2.23 0.00 0.00 178.31 178.03 3hox h LYS 43 N -0.60 0.60 -3.20 1.11 2.10 -1.10 -1.94 116.57 113.54 3hox h LYS 43 Ca -0.01 -0.04 -0.32 0.00 -2.00 0.00 0.00 60.65 58.28 3hox h LYS 43 Cb 0.04 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.24 3hox h LYS 43 CO 0.01 0.40 2.06 0.00 -2.00 0.00 0.00 179.45 179.91 3hox n ALA 44 N -2.43 4.63 0.00 0.07 0.00 0.23 -1.68 120.51 121.34 3hox n ALA 44 Ca 0.15 -1.81 0.00 0.00 0.00 0.00 0.00 53.44 51.78 3hox n ALA 44 Cb 0.38 -2.85 0.00 0.00 0.00 0.00 0.00 19.45 16.99 3hox n ALA 44 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3hox n LYS 45 N 3.85 0.00 -0.09 0.00 4.81 -0.75 -4.78 118.16 121.22 3hox n LYS 45 Ca 0.41 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.86 3hox n LYS 45 Cb 0.22 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.28 3hox n LYS 45 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3hox n TYR 46 N 0.00 0.00 -3.94 5.64 4.02 -0.79 -5.04 117.16 117.06 3hox n TYR 46 Ca 0.00 -0.23 -0.31 0.00 -0.01 0.00 0.00 57.90 57.35 3hox n TYR 46 Cb 0.00 -0.04 -0.05 0.00 -0.02 0.00 0.00 39.34 39.24 3hox n TYR 46 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hox n ASP 48 N 0.47 0.00 -0.00 0.00 5.75 -0.89 -4.89 116.55 116.98 3hox n ASP 48 Ca -0.07 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.70 3hox n ASP 48 Cb 0.51 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.60 3hox n ASP 48 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3hox h SER 49 N 0.00 -0.05 0.05 -1.12 4.64 -2.00 -3.42 113.55 111.65 3hox h SER 49 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hox h SER 49 Cb 0.00 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3hox h SER 49 CO 0.00 0.25 -0.03 -0.03 -0.87 0.00 0.00 176.83 176.16 3hox h MET 50 N -0.64 -0.07 0.00 4.77 1.85 -2.05 -3.47 114.93 115.32 3hox h MET 50 Ca -0.01 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3hox h MET 50 Cb 0.05 0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.09 3hox h MET 50 CO 0.01 -0.05 0.00 0.41 -0.40 0.00 0.00 176.91 176.88 3hox n GLY 51 N 0.80 0.00 3.62 1.39 0.00 -1.26 -5.12 105.19 104.62 3hox n GLY 51 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3hox n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hox s ARG 52 N 0.00 4.09 0.31 1.61 1.81 -1.26 -4.83 118.95 120.68 3hox s ARG 52 Ca 0.00 0.40 -0.29 0.00 -1.72 0.00 0.00 55.73 54.12 3hox s ARG 52 Cb 0.00 -3.65 -0.13 0.00 -0.45 0.00 0.00 34.95 30.73 3hox s ARG 52 CO 0.00 -0.37 1.34 -0.35 -0.68 0.00 0.00 175.30 175.25 3hox n PRO 53 N 5.58 2.15 -3.92 3.54 -0.04 -1.26 -2.10 135.00 138.94 3hox n PRO 53 Ca -0.03 0.76 -0.29 0.00 -0.04 0.00 0.00 63.50 63.89 3hox n PRO 53 Cb 0.49 -2.37 -0.13 0.00 -0.04 0.00 0.00 33.50 31.45 3hox n PRO 53 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3hox s GLN 54 N -1.39 2.11 0.52 0.54 -0.21 0.39 -4.93 119.66 116.68 3hox s GLN 54 Ca 0.59 -2.84 0.16 0.00 0.02 0.00 0.00 55.36 53.30 3hox s GLN 54 Cb -0.58 -3.31 1.27 0.00 1.00 0.00 0.00 33.01 31.38 3hox s GLN 54 CO 0.58 -1.17 2.14 0.00 -2.12 0.00 0.00 175.29 174.72 3hox h ARG 55 N 6.15 0.00 0.00 2.91 3.08 -1.89 -0.19 114.38 124.43 3hox h ARG 55 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hox h ARG 55 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.90 3hox h ARG 55 CO 0.69 0.01 0.08 0.87 -1.07 0.00 0.00 179.97 180.55 3hox h LYS 56 N 0.00 0.00 0.04 0.04 1.79 -1.89 -0.51 116.57 116.04 3hox h LYS 56 Ca -0.00 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.15 3hox h LYS 56 Cb 0.02 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.62 3hox h LYS 56 CO 0.00 0.00 -1.81 -0.12 -1.08 0.00 0.00 179.45 176.44 3hox n MET 57 N -2.65 0.67 0.19 3.15 1.56 -0.09 -4.45 117.12 115.51 3hox n MET 57 Ca -0.02 0.28 0.05 0.00 -0.27 0.00 0.00 57.70 57.74 3hox n MET 57 Cb 0.13 -1.76 0.40 0.00 2.15 0.00 0.00 33.22 34.13 3hox n MET 57 CO 0.00 0.00 0.00 0.52 -0.73 0.00 0.00 175.97 175.76 3hox h MET 58 N 0.02 0.00 -6.05 2.12 2.86 -1.09 -3.46 114.93 109.33 3hox h MET 58 Ca -0.33 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 56.77 3hox h MET 58 Cb 2.02 0.00 0.24 0.00 0.06 0.00 0.00 31.60 33.93 3hox h MET 58 CO 0.08 0.35 -1.90 0.43 1.06 0.00 0.00 176.91 176.93 3hox n SER 59 N -3.85 -5.47 -3.62 1.22 7.64 -1.22 -4.94 113.62 103.37 3hox n SER 59 Ca -0.01 0.16 -0.03 0.00 1.01 0.00 0.00 58.87 60.00 3hox n SER 59 Cb 0.42 -0.75 -0.02 0.00 -1.01 0.00 0.00 64.21 62.85 3hox n SER 59 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3hox s PHE 60 N -2.02 -0.06 0.22 1.43 -0.12 0.45 -5.00 117.98 112.86 3hox s PHE 60 Ca 0.41 0.05 0.06 0.00 -0.05 0.00 0.00 56.93 57.40 3hox s PHE 60 Cb -0.15 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 42.71 3hox s PHE 60 CO 0.80 -0.09 0.15 -1.14 -0.05 0.00 0.00 175.22 174.89 3hox s GLN 61 N -2.07 2.85 0.08 1.99 0.74 -1.26 0.24 119.66 122.23 3hox s GLN 61 Ca 0.10 -1.01 -0.09 0.00 0.05 0.00 0.00 55.36 54.41 3hox s GLN 61 Cb -0.01 -2.56 0.00 0.00 1.10 0.00 0.00 33.01 31.54 3hox s GLN 61 CO -0.04 0.43 0.20 0.00 -0.55 0.00 0.00 175.29 175.33 3hox s ALA 62 N -1.98 -0.27 0.05 1.58 0.00 -0.09 -4.96 121.76 116.09 3hox s ALA 62 Ca 0.32 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 51.75 3hox s ALA 62 Cb -0.09 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 3hox s ALA 62 CO 0.24 -0.49 -0.06 -0.80 0.00 0.00 0.00 175.76 174.65 3hox s ASN 63 N -2.71 0.77 -0.90 0.00 0.01 -1.26 -1.96 114.94 108.87 3hox s ASN 63 Ca 0.03 -0.69 -0.25 0.00 -0.71 0.00 0.00 52.86 51.24 3hox s ASN 63 Cb 0.04 0.08 -0.22 0.00 0.41 0.00 0.00 41.25 41.56 3hox s ASN 63 CO -0.10 -0.32 2.52 -2.65 -1.51 0.00 0.00 177.10 175.05 3hox n PRO 64 N 1.02 0.20 -0.94 -0.60 -0.02 -1.26 0.23 135.00 133.63 3hox n PRO 64 Ca -0.20 -0.05 -0.35 0.00 -2.02 0.00 0.00 63.50 60.88 3hox n PRO 64 Cb 0.57 -1.85 0.06 0.00 -0.02 0.00 0.00 33.50 32.26 3hox n PRO 64 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hox n THR 65 N 7.25 0.00 0.00 3.45 -2.24 -1.10 -4.71 114.28 116.93 3hox n THR 65 Ca 0.61 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 3hox n THR 65 Cb 0.16 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3hox n THR 65 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hox n GLU 66 N 1.37 0.00 -0.31 -0.78 -0.58 -1.26 -2.18 120.64 116.90 3hox n GLU 66 Ca 0.00 0.73 0.08 0.00 -0.42 0.00 0.00 57.16 57.55 3hox n GLU 66 Cb 0.57 -1.16 0.24 0.00 -0.57 0.00 0.00 31.44 30.53 3hox n GLU 66 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3hox h GLU 67 N 0.00 0.62 -1.21 3.49 4.81 -1.98 -2.80 114.58 117.51 3hox h GLU 67 Ca 0.00 -0.04 0.35 0.00 -0.13 0.00 0.00 59.36 59.54 3hox h GLU 67 Cb 0.00 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 29.17 3hox h GLU 67 CO 0.00 0.41 0.84 0.77 -0.73 0.00 0.00 179.01 180.30 3hox h SER 68 N 0.64 0.16 1.71 1.04 0.02 -1.74 2.06 113.55 117.44 3hox h SER 68 Ca 0.49 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.48 3hox h SER 68 Cb 0.71 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.27 3hox h SER 68 CO -0.37 0.00 -0.08 0.40 -1.14 0.00 0.00 176.83 175.64 3hox h ILE 69 N 0.13 0.00 0.00 3.27 5.03 -1.54 -1.69 117.51 122.70 3hox h ILE 69 Ca 0.63 -0.79 0.00 0.00 -0.12 0.00 0.00 64.86 64.58 3hox h ILE 69 Cb 2.18 1.74 0.00 0.00 -3.03 0.00 0.00 36.82 37.71 3hox h ILE 69 CO -0.14 0.00 0.00 -0.24 -0.68 0.00 0.00 178.15 177.09 3hox n SER 70 N -2.74 0.00 0.37 1.72 2.88 0.70 -2.98 113.62 113.57 3hox n SER 70 Ca 0.04 0.85 -0.18 0.00 -1.33 0.00 0.00 58.87 58.26 3hox n SER 70 Cb 0.49 -0.49 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 3hox n SER 70 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3hox h LYS 71 N 0.00 -0.91 -4.39 -1.46 1.57 -1.56 -3.40 116.57 106.43 3hox h LYS 71 Ca 0.00 0.06 -0.59 0.00 -1.87 0.00 0.00 60.65 58.25 3hox h LYS 71 Cb 0.00 0.21 -0.37 0.00 0.08 0.00 0.00 32.23 32.14 3hox h LYS 71 CO 0.00 -0.60 -0.80 -0.59 -0.57 0.00 0.00 179.45 176.88 3hox s PHE 72 N -6.03 2.08 0.00 -1.35 -0.12 -0.64 -4.88 117.98 107.04 3hox s PHE 72 Ca -0.18 -1.35 0.00 0.00 -0.05 0.00 0.00 56.93 55.35 3hox s PHE 72 Cb 0.04 -1.49 0.00 0.00 -0.63 0.00 0.00 43.02 40.94 3hox s PHE 72 CO 0.62 -0.68 0.66 -2.30 -0.05 0.00 0.00 175.22 173.47 3hox n PRO 73 N 4.77 0.00 0.00 1.99 -0.02 -1.16 -3.57 135.00 137.01 3hox n PRO 73 Ca -0.13 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3hox n PRO 73 Cb 0.47 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 3hox n PRO 73 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3hox n ASP 74 N -1.96 0.00 -4.55 2.55 9.92 -1.26 -4.61 116.55 116.63 3hox n ASP 74 Ca 0.00 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 53.93 3hox n ASP 74 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 3hox n ASP 74 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 3hox s MET 75 N -1.18 2.04 0.00 -1.24 1.75 -1.25 -4.91 119.30 114.51 3hox s MET 75 Ca 0.00 1.25 0.00 0.00 -1.25 0.00 0.00 55.69 55.69 3hox s MET 75 Cb 0.00 -4.61 0.00 0.00 2.84 0.00 0.00 34.83 33.06 3hox s MET 75 CO 0.00 -3.42 0.00 0.41 -0.65 0.00 0.00 175.02 171.36 3hox n GLY 76 N 6.10 -2.71 3.48 2.11 0.00 -1.26 -4.75 105.19 108.16 3hox n GLY 76 Ca 0.38 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 3hox n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hox s SER 77 N -2.16 4.01 0.24 1.61 0.01 -1.26 -4.51 113.70 111.63 3hox s SER 77 Ca 0.00 -0.25 -0.06 0.00 1.31 0.00 0.00 55.95 56.95 3hox s SER 77 Cb 0.00 -0.80 -0.06 0.00 0.21 0.00 0.00 66.02 65.37 3hox s SER 77 CO 0.00 0.32 0.51 -0.22 0.41 0.00 0.00 173.24 174.26 3hox s LEU 78 N -0.94 4.14 -0.04 2.44 0.20 -0.83 -2.71 118.68 120.94 3hox s LEU 78 Ca 0.13 0.75 0.00 0.00 0.69 0.00 0.00 54.13 55.70 3hox s LEU 78 Cb -0.11 -3.53 0.02 0.00 -0.43 0.00 0.00 46.19 42.15 3hox s LEU 78 CO 0.02 -0.10 -0.02 0.86 -0.29 0.00 0.00 176.35 176.82 3hox s TRP 79 N -1.91 0.57 -0.29 5.38 -0.11 -0.57 -0.91 118.94 121.10 3hox s TRP 79 Ca 0.44 -0.12 -0.03 0.00 1.22 0.00 0.00 56.10 57.61 3hox s TRP 79 Cb -0.11 -0.60 0.03 0.00 -1.50 0.00 0.00 33.47 31.30 3hox s TRP 79 CO 0.26 -0.19 0.01 0.08 -4.62 0.00 0.00 176.95 172.49 3hox s VAL 80 N 1.15 3.27 0.06 5.86 1.01 0.14 -1.41 120.40 130.48 3hox s VAL 80 Ca -0.08 -1.08 0.05 0.00 0.00 0.00 0.00 61.98 60.87 3hox s VAL 80 Cb -0.14 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 3hox s VAL 80 CO -0.01 0.02 -0.06 -0.70 0.00 0.00 0.00 175.10 174.35 3hox s GLU 81 N 1.35 2.40 0.00 2.72 2.12 -0.40 -0.42 118.70 126.47 3hox s GLU 81 Ca -0.01 -0.86 0.00 0.00 0.36 0.00 0.00 54.97 54.46 3hox s GLU 81 Cb -0.18 -2.44 0.00 0.00 0.26 0.00 0.00 34.13 31.77 3hox s GLU 81 CO -0.01 0.55 0.00 1.19 -0.54 0.00 0.00 175.26 176.45 3hox n PHE 82 N 1.00 0.00 0.00 5.30 3.01 -1.26 0.21 117.46 125.72 3hox n PHE 82 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.33 3hox n PHE 82 Cb 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 3hox n PHE 82 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hox n ASP 84 N 0.00 0.00 -4.55 0.00 9.92 -1.26 -4.68 116.55 115.98 3hox n ASP 84 Ca 0.00 -0.87 -0.40 0.00 -0.53 0.00 0.00 54.79 52.99 3hox n ASP 84 Cb 0.00 -0.04 -0.03 0.00 -0.64 0.00 0.00 41.12 40.41 3hox n ASP 84 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 3hox s GLU 85 N -2.07 3.12 0.62 -1.24 2.02 -1.26 -4.86 118.70 115.03 3hox s GLU 85 Ca 0.44 -0.16 0.23 0.00 0.02 0.00 0.00 54.97 55.51 3hox s GLU 85 Cb 0.21 -4.29 1.01 0.00 0.10 0.00 0.00 34.13 31.17 3hox s GLU 85 CO 0.37 -2.26 1.49 -1.35 0.02 0.00 0.00 175.26 173.53 3hox h PRO 86 N 10.78 0.00 -3.45 0.39 0.11 -1.96 -3.17 132.00 134.69 3hox h PRO 86 Ca -0.25 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.34 3hox h PRO 86 Cb 1.06 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.77 3hox h PRO 86 CO 1.28 0.00 -0.76 0.45 -0.21 0.00 0.00 178.00 178.76 3hox s SER 87 N -3.97 3.09 -0.00 -2.05 0.15 -1.26 0.61 113.70 110.27 3hox s SER 87 Ca -0.03 -0.97 -0.30 0.00 0.70 0.00 0.00 55.95 55.35 3hox s SER 87 Cb 0.12 -0.59 -0.04 0.00 -1.71 0.00 0.00 66.02 63.79 3hox s SER 87 CO 0.39 -0.34 1.22 -0.69 1.20 0.00 0.00 173.24 175.03 3hox s VAL 88 N 1.86 4.10 0.68 4.45 1.01 -0.92 -4.99 120.40 126.58 3hox s VAL 88 Ca 0.02 1.47 -0.01 0.00 0.00 0.00 0.00 61.98 63.45 3hox s VAL 88 Cb -0.17 -3.94 0.10 0.00 0.00 0.00 0.00 36.38 32.36 3hox s VAL 88 CO -0.13 0.05 0.94 -0.83 0.00 0.00 0.00 175.10 175.13 3hox s GLY 89 N 1.36 1.77 0.00 4.51 0.00 -1.26 -1.97 107.32 111.73 3hox s GLY 89 Ca 0.58 -1.52 0.15 0.00 0.00 0.00 0.00 44.72 43.93 3hox s GLY 89 CO 0.25 -1.04 1.38 1.55 0.00 0.00 0.00 173.10 175.24 3hox n VAL 90 N -2.73 0.31 0.00 1.40 3.14 -1.26 -3.14 118.33 116.04 3hox n VAL 90 Ca 0.12 0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.58 3hox n VAL 90 Cb 0.60 -0.83 0.00 0.00 -1.06 0.00 0.00 33.84 32.55 3hox n VAL 90 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3hox n LYS 91 N -1.15 0.00 0.28 1.45 4.76 -1.26 -3.68 118.16 118.56 3hox n LYS 91 Ca 0.09 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.59 3hox n LYS 91 Cb 0.09 -0.49 0.31 0.00 -1.84 0.00 0.00 35.03 33.10 3hox n LYS 91 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 3hox h THR 92 N 0.00 0.00 0.47 -0.18 2.02 -1.95 -1.92 112.91 111.34 3hox h THR 92 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3hox h THR 92 Cb 0.00 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 3hox h THR 92 CO 0.00 0.00 -0.23 -0.03 0.37 0.00 0.00 175.52 175.63 3hox h MET 93 N 0.00 -0.61 -1.00 6.66 -1.53 -1.67 -2.18 114.93 114.60 3hox h MET 93 Ca 0.00 0.04 0.29 0.00 -3.44 0.00 0.00 59.70 56.59 3hox h MET 93 Cb 1.29 0.14 -0.04 0.00 -0.55 0.00 0.00 31.60 32.44 3hox h MET 93 CO 0.00 -0.40 0.88 -0.22 0.14 0.00 0.00 176.91 177.30 3hox h LYS 94 N -1.02 0.00 0.00 0.39 1.63 -1.42 0.99 116.57 117.14 3hox h LYS 94 Ca -0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 3hox h LYS 94 Cb 0.48 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 3hox h LYS 94 CO 0.11 0.00 0.00 2.41 -3.45 0.00 0.00 179.45 178.52 3hox n THR 95 N -3.80 0.00 -0.21 1.00 -1.04 -1.12 -2.82 114.28 106.30 3hox n THR 95 Ca 0.22 1.05 -0.01 0.00 -2.04 0.00 0.00 64.05 63.26 3hox n THR 95 Cb 1.21 -1.98 0.07 0.00 -1.82 0.00 0.00 70.33 67.80 3hox n THR 95 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 3hox h PHE 96 N 0.00 -0.29 -0.42 -1.42 3.57 -0.63 0.16 116.94 117.91 3hox h PHE 96 Ca 0.00 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.64 3hox h PHE 96 Cb 0.00 0.22 -0.08 0.00 2.79 0.00 0.00 35.95 38.89 3hox h PHE 96 CO 0.05 -0.25 -0.08 0.28 -2.23 0.00 0.00 178.31 176.08 3hox h VAL 97 N 0.01 0.60 0.00 1.41 2.07 -0.98 -1.89 116.25 117.47 3hox h VAL 97 Ca 0.30 -0.01 -0.16 0.00 0.82 0.00 0.00 66.70 67.65 3hox h VAL 97 Cb 0.46 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3hox h VAL 97 CO -0.62 0.00 -0.76 0.40 0.02 0.00 0.00 177.57 176.61 3hox h ILE 98 N 0.02 1.31 -0.57 4.57 2.04 -1.29 0.17 117.51 123.76 3hox h ILE 98 Ca 0.20 -2.84 0.11 0.00 1.00 0.00 0.00 64.86 63.33 3hox h ILE 98 Cb 0.31 2.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.99 3hox h ILE 98 CO -0.41 0.74 0.39 -0.74 0.00 0.00 0.00 178.15 178.13 3hox h HIS 99 N 0.00 0.34 0.00 1.37 2.76 0.02 0.68 115.15 120.32 3hox h HIS 99 Ca -0.01 0.01 -0.21 0.00 -2.20 0.00 0.00 60.37 57.96 3hox h HIS 99 Cb 1.58 -0.11 -0.04 0.00 1.55 0.00 0.00 27.41 30.39 3hox h HIS 99 CO 0.00 0.16 -1.93 -0.89 -1.30 0.00 0.00 177.93 173.97 3hox n ILE 100 N -4.46 1.00 0.23 6.26 5.41 -0.78 -2.14 119.36 124.88 3hox n ILE 100 Ca 0.10 -0.71 0.10 0.00 1.00 0.00 0.00 62.75 63.24 3hox n ILE 100 Cb 0.41 -0.47 0.48 0.00 -0.71 0.00 0.00 39.64 39.35 3hox n ILE 100 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 3hox h GLN 101 N 0.00 0.00 0.00 0.38 4.15 0.12 -1.81 115.11 117.95 3hox h GLN 101 Ca -0.27 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 58.93 3hox h GLN 101 Cb 1.71 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.36 3hox h GLN 101 CO 0.03 0.21 -1.81 0.39 -1.93 0.00 0.00 178.83 175.72 3hox n GLU 102 N -3.38 0.80 0.00 1.69 1.02 0.22 -4.24 120.64 116.75 3hox n GLU 102 Ca 0.00 0.06 0.09 0.00 -0.02 0.00 0.00 57.16 57.29 3hox n GLU 102 Cb 0.42 -1.29 0.48 0.00 -0.02 0.00 0.00 31.44 31.03 3hox n GLU 102 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3hox n LYS 103 N -2.80 0.33 -2.65 3.49 5.02 -0.91 -4.91 118.16 115.73 3hox n LYS 103 Ca -0.24 0.09 -0.20 0.00 -2.02 0.00 0.00 58.31 55.94 3hox n LYS 103 Cb 0.80 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.33 3hox n LYS 103 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hox n ASN 104 N -1.22 -4.02 0.00 4.39 4.13 -0.70 -5.00 115.26 112.83 3hox n ASN 104 Ca 0.10 -0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.35 3hox n ASN 104 Cb 0.13 -1.10 0.00 0.00 -1.54 0.00 0.00 39.78 37.26 3hox n ASN 104 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3hox n PHE 105 N 0.21 0.00 0.00 3.10 0.99 -1.11 -4.92 117.46 115.73 3hox n PHE 105 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.41 3hox n PHE 105 Cb 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.92 3hox n PHE 105 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 3hox n GLN 106 N 0.00 0.00 -3.72 -1.08 -0.06 -1.10 -4.68 117.38 106.74 3hox n GLN 106 Ca 0.00 0.00 -0.38 0.00 -2.00 0.00 0.00 57.00 54.62 3hox n GLN 106 Cb 0.00 0.00 -0.12 0.00 -4.06 0.00 0.00 30.24 26.06 3hox n GLN 106 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3hox s THR 107 N -0.79 3.92 -0.90 1.69 2.01 -1.18 -1.81 115.64 118.58 3hox s THR 107 Ca 0.00 -1.14 -0.03 0.00 0.31 0.00 0.00 61.69 60.83 3hox s THR 107 Cb 0.00 -3.24 0.22 0.00 0.01 0.00 0.00 72.50 69.49 3hox s THR 107 CO 0.00 -0.23 0.80 -0.83 -0.69 0.00 0.00 174.62 173.67 3hox s GLY 108 N 1.49 3.04 0.05 4.40 0.00 -0.56 -1.52 107.32 114.23 3hox s GLY 108 Ca -0.01 -3.79 -0.23 0.00 0.00 0.00 0.00 44.72 40.70 3hox s GLY 108 CO 0.03 1.21 0.70 -0.42 0.00 0.00 0.00 173.10 174.62 3hox s ILE 109 N -1.21 4.73 -0.18 0.90 1.01 -0.50 0.12 121.20 126.08 3hox s ILE 109 Ca 0.27 1.49 -0.04 0.00 0.00 0.00 0.00 60.65 62.36 3hox s ILE 109 Cb -0.09 -4.04 0.06 0.00 0.01 0.00 0.00 42.46 38.40 3hox s ILE 109 CO -0.11 0.42 0.07 0.12 0.00 0.00 0.00 174.94 175.44 3hox s PHE 110 N -0.34 0.47 -0.78 3.97 2.19 0.54 -1.28 117.98 122.75 3hox s PHE 110 Ca 0.35 -0.51 -0.21 0.00 0.33 0.00 0.00 56.93 56.88 3hox s PHE 110 Cb -0.20 -0.81 0.09 0.00 -1.31 0.00 0.00 43.02 40.79 3hox s PHE 110 CO 0.21 -0.56 1.06 0.08 1.83 0.00 0.00 175.22 177.85 3hox s VAL 111 N 2.05 4.42 0.81 3.12 1.01 0.13 -1.96 120.40 129.97 3hox s VAL 111 Ca 0.01 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 3hox s VAL 111 Cb -0.16 -4.75 0.10 0.00 0.00 0.00 0.00 36.38 31.56 3hox s VAL 111 CO -0.10 -1.52 1.16 -0.72 0.00 0.00 0.00 175.10 173.92 3hox s TYR 112 N 3.70 2.68 0.00 5.22 -0.85 -0.97 -4.08 117.35 123.05 3hox s TYR 112 Ca 0.28 0.57 0.00 0.00 -0.52 0.00 0.00 57.07 57.40 3hox s TYR 112 Cb -0.11 -3.51 0.00 0.00 0.38 0.00 0.00 41.96 38.72 3hox s TYR 112 CO 0.02 -1.83 0.00 1.04 -1.52 0.00 0.00 175.55 173.26 3hox n GLN 113 N -3.28 0.00 0.00 -3.49 6.02 -1.26 -2.89 117.38 112.48 3hox n GLN 113 Ca 0.09 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.20 3hox n GLN 113 Cb 0.61 -0.01 0.10 0.00 1.02 0.00 0.00 30.24 31.95 3hox n GLN 113 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3hox n ASN 114 N -0.06 1.30 0.00 1.08 4.13 0.20 -4.20 115.26 117.71 3hox n ASN 114 Ca 0.00 -1.04 0.00 0.00 1.68 0.00 0.00 54.58 55.22 3hox n ASN 114 Cb 0.00 0.49 0.00 0.00 -1.54 0.00 0.00 39.78 38.73 3hox n ASN 114 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 3hox n ASN 115 N -0.77 0.00 -4.10 6.41 6.94 -1.23 -4.99 115.26 117.52 3hox n ASN 115 Ca 0.08 0.00 -0.07 0.00 -0.02 0.00 0.00 54.58 54.57 3hox n ASN 115 Cb 0.38 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.70 3hox n ASN 115 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3hox s ILE 116 N -2.08 0.23 0.09 1.53 1.01 -1.26 -2.17 121.20 118.55 3hox s ILE 116 Ca 0.00 -1.82 -0.31 0.00 0.00 0.00 0.00 60.65 58.52 3hox s ILE 116 Cb 0.00 -1.54 -0.09 0.00 0.01 0.00 0.00 42.46 40.84 3hox s ILE 116 CO 0.00 -0.98 1.70 -0.89 0.00 0.00 0.00 174.94 174.77 3hox s THR 117 N -3.91 2.86 -0.87 2.92 2.01 -0.83 -4.84 115.64 112.98 3hox s THR 117 Ca 0.08 0.36 0.02 0.00 0.31 0.00 0.00 61.69 62.46 3hox s THR 117 Cb 0.08 -3.23 0.02 0.00 0.01 0.00 0.00 72.50 69.38 3hox s THR 117 CO -0.09 0.00 1.04 -2.65 -0.69 0.00 0.00 174.62 172.23 3hox n PRO 118 N 5.50 0.01 -0.11 4.92 -0.02 -1.26 0.83 135.00 144.88 3hox n PRO 118 Ca 0.16 0.49 -0.14 0.00 -2.02 0.00 0.00 63.50 62.00 3hox n PRO 118 Cb 0.40 -1.57 -0.13 0.00 -0.02 0.00 0.00 33.50 32.17 3hox n PRO 118 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3hox n SER 119 N -1.56 1.26 0.21 2.55 7.64 -1.26 -4.30 113.62 118.16 3hox n SER 119 Ca -0.00 -0.07 0.06 0.00 1.01 0.00 0.00 58.87 59.87 3hox n SER 119 Cb 0.03 0.21 0.46 0.00 -1.01 0.00 0.00 64.21 63.90 3hox n SER 119 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hox h ALA 120 N 0.42 1.28 0.00 -0.43 0.00 0.09 -2.78 119.26 117.84 3hox h ALA 120 Ca -0.54 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.05 3hox h ALA 120 Cb 2.01 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 3hox h ALA 120 CO -0.04 0.37 -0.23 0.52 0.00 0.00 0.00 179.25 179.87 3hox h MET 121 N 0.00 0.00 0.00 0.00 2.86 -1.06 -2.94 114.93 113.79 3hox h MET 121 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3hox h MET 121 Cb 0.61 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.27 3hox h MET 121 CO 0.04 0.23 0.00 1.63 1.06 0.00 0.00 176.91 179.87 3hox n LYS 122 N -3.16 0.46 -0.03 1.72 4.76 -1.05 -1.40 118.16 119.46 3hox n LYS 122 Ca 0.03 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.54 3hox n LYS 122 Cb 0.62 -1.23 0.07 0.00 -1.84 0.00 0.00 35.03 32.66 3hox n LYS 122 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3hox n LEU 123 N -0.73 2.26 -0.06 -0.35 4.77 -1.11 -4.68 117.00 117.11 3hox n LEU 123 Ca 0.05 -1.14 -0.03 0.00 -0.03 0.00 0.00 56.01 54.86 3hox n LEU 123 Cb 0.02 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 3hox n LEU 123 CO 0.04 0.44 -0.02 0.58 -1.33 0.00 0.00 177.39 177.11 3hox h VAL 124 N 2.61 0.29 0.00 4.08 2.07 -1.42 -3.35 116.25 120.53 3hox h VAL 124 Ca 0.00 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.29 3hox h VAL 124 Cb 0.59 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3hox h VAL 124 CO 0.00 0.10 0.00 -0.81 0.02 0.00 0.00 177.57 176.88 3hox n PRO 125 N -4.72 0.39 -0.29 1.57 -0.04 -1.26 -3.69 135.00 126.95 3hox n PRO 125 Ca -0.04 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.49 3hox n PRO 125 Cb 0.13 -1.24 0.20 0.00 -0.04 0.00 0.00 33.50 32.55 3hox n PRO 125 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3hox n SER 126 N 0.51 3.35 -2.17 3.54 3.41 -1.26 -4.67 113.62 116.32 3hox n SER 126 Ca 0.00 -2.46 -0.02 0.00 -0.26 0.00 0.00 58.87 56.14 3hox n SER 126 Cb 0.14 -0.37 0.05 0.00 -0.26 0.00 0.00 64.21 63.77 3hox n SER 126 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3hox n ILE 127 N 0.04 1.15 -1.73 -1.33 -5.35 -1.24 -5.12 119.36 105.78 3hox n ILE 127 Ca 0.16 -2.57 -0.38 0.00 -0.27 0.00 0.00 62.75 59.69 3hox n ILE 127 Cb 0.63 0.77 0.05 0.00 -1.74 0.00 0.00 39.64 39.36 3hox n ILE 127 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 3hox n PRO 128 N -0.34 1.51 0.00 6.28 -0.04 -1.26 -3.35 135.00 137.80 3hox n PRO 128 Ca 0.13 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 3hox n PRO 128 Cb 0.91 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 3hox n PRO 128 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3hox n PRO 129 N -1.20 0.00 0.00 0.54 -0.04 -1.26 -5.09 135.00 127.95 3hox n PRO 129 Ca 0.12 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 3hox n PRO 129 Cb 0.45 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 3hox n PRO 129 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hox n ALA 130 N -2.08 -0.24 -2.52 0.55 0.00 -1.21 -4.94 120.51 110.07 3hox n ALA 130 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 3hox n ALA 130 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3hox n ALA 130 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3hox s THR 131 N 0.00 2.87 -0.11 0.00 -4.23 -0.75 -4.55 115.64 108.87 3hox s THR 131 Ca 0.00 -1.87 0.03 0.00 -1.18 0.00 0.00 61.69 58.67 3hox s THR 131 Cb 0.00 -2.43 0.01 0.00 1.34 0.00 0.00 72.50 71.42 3hox s THR 131 CO 0.00 -0.16 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.08 3hox s ILE 132 N -1.81 1.91 -0.00 2.99 1.01 -1.26 -1.49 121.20 122.54 3hox s ILE 132 Ca 0.24 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.99 3hox s ILE 132 Cb -0.08 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 3hox s ILE 132 CO 0.14 0.52 0.04 -1.61 0.00 0.00 0.00 174.94 174.03 3hox s GLU 133 N 0.58 2.92 -0.03 2.79 2.02 0.33 -4.94 118.70 122.38 3hox s GLU 133 Ca -0.14 -0.55 0.05 0.00 0.02 0.00 0.00 54.97 54.35 3hox s GLU 133 Cb -0.17 -2.76 -0.01 0.00 0.10 0.00 0.00 34.13 31.30 3hox s GLU 133 CO 0.04 0.64 -0.17 -0.08 0.02 0.00 0.00 175.26 175.71 3hox s THR 134 N -1.14 1.37 -0.01 3.63 -1.32 -1.26 -0.34 115.64 116.57 3hox s THR 134 Ca 0.21 -0.71 0.01 0.00 -1.21 0.00 0.00 61.69 59.99 3hox s THR 134 Cb -0.12 -1.17 0.01 0.00 -1.51 0.00 0.00 72.50 69.72 3hox s THR 134 CO 0.12 0.39 -0.01 -0.36 -2.21 0.00 0.00 174.62 172.55 3hox s PHE 135 N -0.12 0.24 0.67 9.09 0.40 -0.83 -4.95 117.98 122.48 3hox s PHE 135 Ca 0.00 -0.01 -0.13 0.00 -0.60 0.00 0.00 56.93 56.19 3hox s PHE 135 Cb -0.09 -0.25 -0.00 0.00 0.51 0.00 0.00 43.02 43.18 3hox s PHE 135 CO 0.01 -0.06 1.06 1.21 0.70 0.00 0.00 175.22 178.15 3hox s ASN 136 N 0.42 5.42 0.00 1.36 3.84 -1.26 -2.29 114.94 122.44 3hox s ASN 136 Ca -0.04 1.72 -0.15 0.00 0.21 0.00 0.00 52.86 54.59 3hox s ASN 136 Cb -0.07 -2.51 -0.09 0.00 -0.55 0.00 0.00 41.25 38.04 3hox s ASN 136 CO -0.01 -1.41 0.86 -0.33 -2.79 0.00 0.00 177.10 173.42 3hox h GLU 137 N -0.34 -0.54 0.00 0.43 5.08 -1.69 -3.07 114.58 114.45 3hox h GLU 137 Ca -0.45 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 3hox h GLU 137 Cb 1.22 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.59 3hox h GLU 137 CO 0.56 -0.36 0.23 0.00 -1.00 0.00 0.00 179.01 178.45 3hox h ALA 138 N -1.50 1.19 0.00 3.43 0.00 -1.91 0.70 119.26 121.17 3hox h ALA 138 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 3hox h ALA 138 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3hox h ALA 138 CO 0.09 -0.19 -0.58 0.00 0.00 0.00 0.00 179.25 178.58 3hox h ALA 139 N 1.44 0.88 -0.29 0.00 0.00 -1.93 -3.23 119.26 116.13 3hox h ALA 139 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3hox h ALA 139 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hox h ALA 139 CO 0.00 0.73 0.00 1.28 0.00 0.00 0.00 179.25 181.26 3hox n LEU 140 N -3.62 2.81 -0.31 0.00 4.77 0.24 -4.58 117.00 116.31 3hox n LEU 140 Ca -0.00 -1.66 0.04 0.00 -0.03 0.00 0.00 56.01 54.36 3hox n LEU 140 Cb 0.63 -0.19 0.24 0.00 -2.33 0.00 0.00 43.42 41.77 3hox n LEU 140 CO 0.41 0.65 1.25 0.58 -1.33 0.00 0.00 177.39 178.95 3hox h VAL 141 N 2.57 1.05 -4.49 4.08 2.07 -1.49 -3.36 116.25 116.69 3hox h VAL 141 Ca 0.00 -0.35 -0.69 0.00 0.82 0.00 0.00 66.70 66.48 3hox h VAL 141 Cb 0.72 -0.07 -0.30 0.00 -1.52 0.00 0.00 31.29 30.11 3hox h VAL 141 CO 0.00 0.19 -0.89 -0.69 0.02 0.00 0.00 177.57 176.20 3hox s VAL 142 N -5.91 2.01 -0.49 2.57 1.01 -1.26 -4.07 120.40 114.25 3hox s VAL 142 Ca -0.12 -1.08 -0.22 0.00 0.00 0.00 0.00 61.98 60.57 3hox s VAL 142 Cb 0.20 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.95 3hox s VAL 142 CO 0.80 0.57 0.77 0.21 0.00 0.00 0.00 175.10 177.45 3hox s ASN 143 N -0.52 6.33 0.22 3.32 2.47 -1.26 -4.92 114.94 120.58 3hox s ASN 143 Ca 0.07 -0.41 -0.08 0.00 0.42 0.00 0.00 52.86 52.87 3hox s ASN 143 Cb -0.10 -2.37 0.28 0.00 -1.45 0.00 0.00 41.25 37.61 3hox s ASN 143 CO -0.00 -0.98 1.80 0.16 -3.72 0.00 0.00 177.10 174.36 3hox h ILE 144 N 5.95 0.92 0.00 -5.21 3.07 -1.95 -0.78 117.51 119.51 3hox h ILE 144 Ca -0.26 -0.23 0.00 0.00 1.55 0.00 0.00 64.86 65.93 3hox h ILE 144 Cb 1.09 0.21 0.00 0.00 -0.27 0.00 0.00 36.82 37.84 3hox h ILE 144 CO 0.99 0.12 0.55 0.71 -1.05 0.00 0.00 178.15 179.47 3hox h THR 145 N 0.66 0.00 -0.07 0.16 1.35 -1.94 1.21 112.91 114.28 3hox h THR 145 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.18 3hox h THR 145 Cb 0.26 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.02 3hox h THR 145 CO -0.22 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.46 3hox n HIS 146 N -2.50 0.08 -2.76 4.73 8.25 -0.30 -4.82 115.22 117.91 3hox n HIS 146 Ca -0.01 -0.04 -0.41 0.00 -0.26 0.00 0.00 57.72 57.00 3hox n HIS 146 Cb 0.58 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.64 3hox n HIS 146 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3hox s HIS 147 N -1.92 3.83 0.14 4.41 5.04 0.41 -4.93 115.29 122.26 3hox s HIS 147 Ca 0.35 1.79 -0.05 0.00 -1.54 0.00 0.00 55.06 55.60 3hox s HIS 147 Cb 0.18 -3.02 0.21 0.00 0.04 0.00 0.00 32.58 29.98 3hox s HIS 147 CO 0.29 0.25 0.79 -1.91 -2.34 0.00 0.00 174.74 171.82 3hox n GLU 148 N 2.61 -0.07 0.00 2.88 2.13 -1.26 0.11 120.64 127.05 3hox n GLU 148 Ca 0.01 0.79 0.15 0.00 0.66 0.00 0.00 57.16 58.78 3hox n GLU 148 Cb 0.49 -1.18 0.79 0.00 0.27 0.00 0.00 31.44 31.81 3hox n GLU 148 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3hox n LEU 149 N -4.81 0.47 -4.51 4.31 4.77 -1.26 -4.81 117.00 111.16 3hox n LEU 149 Ca 0.07 -0.13 -0.38 0.00 -0.03 0.00 0.00 56.01 55.54 3hox n LEU 149 Cb 0.24 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.19 3hox n LEU 149 CO -0.06 0.08 -0.19 -0.69 -1.33 0.00 0.00 177.39 175.20 3hox s VAL 150 N -2.06 4.93 0.75 4.08 1.01 0.30 -5.08 120.40 124.35 3hox s VAL 150 Ca 0.43 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.15 3hox s VAL 150 Cb 0.21 -3.43 0.04 0.00 0.00 0.00 0.00 36.38 33.20 3hox s VAL 150 CO 0.37 0.15 1.09 -2.16 0.00 0.00 0.00 175.10 174.55 3hox s PRO 151 N 1.69 2.45 0.11 2.72 0.04 -1.26 -4.73 135.00 136.00 3hox s PRO 151 Ca 0.06 0.64 -0.30 0.00 0.04 0.00 0.00 61.00 61.44 3hox s PRO 151 Cb -0.16 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 3hox s PRO 151 CO 0.08 -1.37 1.18 0.21 0.04 0.00 0.00 177.00 177.14 3hox s LYS 152 N -5.19 4.48 0.44 4.56 2.47 -1.24 -4.94 119.74 120.31 3hox s LYS 152 Ca 0.60 1.78 0.07 0.00 -1.56 0.00 0.00 55.97 56.85 3hox s LYS 152 Cb -0.13 -3.31 -0.02 0.00 -1.46 0.00 0.00 37.83 32.91 3hox s LYS 152 CO 0.54 -0.16 0.34 -1.01 0.16 0.00 0.00 175.35 175.22 3hox s HIS 153 N 0.58 2.46 -0.29 4.03 3.76 -1.26 -2.20 115.29 122.38 3hox s HIS 153 Ca 0.56 -0.58 -0.15 0.00 -0.15 0.00 0.00 55.06 54.73 3hox s HIS 153 Cb -0.30 -2.08 0.10 0.00 1.11 0.00 0.00 32.58 31.42 3hox s HIS 153 CO 0.32 -0.13 0.76 0.42 -0.85 0.00 0.00 174.74 175.26 3hox s ILE 154 N -2.56 -0.14 1.21 0.60 1.01 -1.13 -4.85 121.20 115.33 3hox s ILE 154 Ca 0.44 0.00 -0.15 0.00 0.00 0.00 0.00 60.65 60.94 3hox s ILE 154 Cb -0.01 -1.00 0.29 0.00 0.01 0.00 0.00 42.46 41.75 3hox s ILE 154 CO 0.26 0.00 1.02 -0.13 0.00 0.00 0.00 174.94 176.08 3hox s ARG 155 N 1.75 -1.25 -0.20 2.79 0.52 -1.26 -1.73 118.95 119.58 3hox s ARG 155 Ca -0.09 0.58 -0.04 0.00 -0.52 0.00 0.00 55.73 55.66 3hox s ARG 155 Cb -0.06 -1.54 0.10 0.00 0.52 0.00 0.00 34.95 33.98 3hox s ARG 155 CO -0.19 -3.87 0.30 -0.51 0.02 0.00 0.00 175.30 171.05 3hox s LEU 156 N -7.25 -0.37 0.51 2.53 1.43 -1.17 -4.77 118.68 109.59 3hox s LEU 156 Ca 0.68 0.23 -0.18 0.00 -1.03 0.00 0.00 54.13 53.83 3hox s LEU 156 Cb -0.21 0.79 -0.13 0.00 0.03 0.00 0.00 46.19 46.66 3hox s LEU 156 CO 0.62 -0.29 0.07 -1.54 0.23 0.00 0.00 176.35 175.44 3hox n SER 157 N 5.35 -2.89 0.00 2.29 3.41 -1.26 -4.48 113.62 116.04 3hox n SER 157 Ca -0.05 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 3hox n SER 157 Cb 0.50 -0.94 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 3hox n SER 157 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3hox n SER 158 N 1.95 0.00 -0.05 4.04 2.88 -1.26 -0.31 113.62 120.88 3hox n SER 158 Ca 0.09 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.53 3hox n SER 158 Cb 0.47 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.89 3hox n SER 158 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3hox n ASP 159 N -0.67 0.94 -0.22 -3.46 8.00 -1.26 -3.75 116.55 116.14 3hox n ASP 159 Ca 0.00 0.16 0.31 0.00 0.71 0.00 0.00 54.79 55.97 3hox n ASP 159 Cb 0.00 -0.37 0.70 0.00 -0.02 0.00 0.00 41.12 41.43 3hox n ASP 159 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3hox h GLU 160 N -0.41 0.00 0.00 -1.24 5.08 -0.93 -0.15 114.58 116.93 3hox h GLU 160 Ca -0.23 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3hox h GLU 160 Cb 1.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 3hox h GLU 160 CO -0.14 0.00 -0.18 -0.22 -1.00 0.00 0.00 179.01 177.47 3hox h LYS 161 N 0.00 0.00 -1.42 2.33 3.64 -1.62 -2.91 116.57 116.59 3hox h LYS 161 Ca 0.48 0.00 0.41 0.00 -1.27 0.00 0.00 60.65 60.27 3hox h LYS 161 Cb 2.17 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.93 3hox h LYS 161 CO -0.01 0.05 1.20 0.00 -2.27 0.00 0.00 179.45 178.43 3hox h ARG 162 N -1.00 0.00 0.23 1.90 3.08 -1.26 0.46 114.38 117.80 3hox h ARG 162 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3hox h ARG 162 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3hox h ARG 162 CO -0.00 0.00 -0.11 1.49 -1.07 0.00 0.00 179.97 180.28 3hox h GLU 163 N 0.00 -0.30 -0.90 0.04 4.57 -1.19 -2.33 114.58 114.48 3hox h GLU 163 Ca 0.68 0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.97 3hox h GLU 163 Cb 3.07 0.07 -0.12 0.00 -0.16 0.00 0.00 28.75 31.61 3hox h GLU 163 CO -0.01 -0.20 -0.56 1.25 -1.18 0.00 0.00 179.01 178.32 3hox h LEU 164 N -1.03 -2.02 -0.29 1.64 5.85 0.08 0.55 115.31 120.09 3hox h LEU 164 Ca -0.03 0.31 0.07 0.00 0.84 0.00 0.00 57.88 59.07 3hox h LEU 164 Cb 0.24 0.90 -0.08 0.00 0.37 0.00 0.00 40.66 42.09 3hox h LEU 164 CO 0.05 -0.27 -0.30 -0.07 -0.34 0.00 0.00 178.44 177.52 3hox h LEU 165 N -0.07 -0.97 0.53 2.25 3.38 -1.33 -2.74 115.31 116.36 3hox h LEU 165 Ca 0.17 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 3hox h LEU 165 Cb 0.46 0.45 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 3hox h LEU 165 CO -0.88 -0.32 -0.33 0.50 0.09 0.00 0.00 178.44 177.49 3hox h LYS 166 N -0.29 -0.78 0.00 1.13 3.64 -0.02 -1.48 116.57 118.77 3hox h LYS 166 Ca 0.15 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3hox h LYS 166 Cb 0.52 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3hox h LYS 166 CO -0.45 -0.52 0.00 0.54 -2.27 0.00 0.00 179.45 176.75 3hox n ARG 167 N -4.46 0.00 0.00 1.90 5.12 0.16 -0.38 116.66 119.00 3hox n ARG 167 Ca -0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 3hox n ARG 167 Cb 0.34 -1.20 0.00 0.00 -1.16 0.00 0.00 32.46 30.44 3hox n ARG 167 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3hox n TYR 168 N -0.63 0.00 -2.19 -1.55 0.53 -1.05 -5.01 117.16 107.27 3hox n TYR 168 Ca 0.00 -0.04 -0.13 0.00 -1.02 0.00 0.00 57.90 56.71 3hox n TYR 168 Cb 0.00 -0.00 -0.02 0.00 -1.03 0.00 0.00 39.34 38.29 3hox n TYR 168 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 3hox n ARG 169 N -0.04 -1.97 -3.08 -0.72 1.74 0.49 -4.93 116.66 108.14 3hox n ARG 169 Ca 0.00 0.66 -0.39 0.00 -0.77 0.00 0.00 57.85 57.35 3hox n ARG 169 Cb 0.39 -5.19 -0.05 0.00 -1.02 0.00 0.00 32.46 26.59 3hox n ARG 169 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hox s LEU 170 N -5.21 4.43 0.76 0.55 1.43 -0.73 -5.04 118.68 114.88 3hox s LEU 170 Ca 0.00 1.31 -0.12 0.00 -1.03 0.00 0.00 54.13 54.30 3hox s LEU 170 Cb 0.00 -3.09 0.05 0.00 0.03 0.00 0.00 46.19 43.18 3hox s LEU 170 CO 0.00 0.05 1.11 -0.54 0.23 0.00 0.00 176.35 177.19 3hox s LYS 171 N -0.07 2.39 0.20 1.70 -0.14 -1.26 -4.72 119.74 117.84 3hox s LYS 171 Ca 0.35 0.48 -0.09 0.00 -1.36 0.00 0.00 55.97 55.35 3hox s LYS 171 Cb -0.19 -1.97 0.13 0.00 -1.68 0.00 0.00 37.83 34.12 3hox s LYS 171 CO 0.20 -1.37 1.77 1.49 -0.76 0.00 0.00 175.35 176.68 3hox h GLU 172 N -0.90 1.09 0.00 1.68 4.81 -1.98 -2.94 114.58 116.34 3hox h GLU 172 Ca -0.46 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 58.58 3hox h GLU 172 Cb 1.27 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.47 3hox h GLU 172 CO 0.62 0.88 0.00 -1.13 -0.73 0.00 0.00 179.01 178.66 3hox n SER 173 N -4.36 0.00 -0.31 1.04 3.41 -1.26 -2.45 113.62 109.69 3hox n SER 173 Ca 0.06 -0.83 0.09 0.00 -0.26 0.00 0.00 58.87 57.93 3hox n SER 173 Cb 0.17 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 3hox n SER 173 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hox n GLN 174 N -0.65 1.47 -2.98 4.33 6.02 -1.11 -4.97 117.38 119.48 3hox n GLN 174 Ca 0.04 -0.67 -0.40 0.00 -0.01 0.00 0.00 57.00 55.97 3hox n GLN 174 Cb 0.02 -1.34 -0.06 0.00 1.02 0.00 0.00 30.24 29.88 3hox n GLN 174 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hox s LEU 175 N -2.34 4.56 0.17 1.08 1.43 -1.03 -5.00 118.68 117.56 3hox s LEU 175 Ca 0.13 1.60 -0.33 0.00 -1.03 0.00 0.00 54.13 54.50 3hox s LEU 175 Cb 0.14 -3.28 -0.12 0.00 0.03 0.00 0.00 46.19 42.96 3hox s LEU 175 CO 0.52 0.16 1.71 -2.65 0.23 0.00 0.00 176.35 176.32 3hox n PRO 176 N 1.88 2.58 -3.88 1.29 -0.02 -1.26 -4.66 135.00 130.94 3hox n PRO 176 Ca -0.05 0.93 -0.26 0.00 -2.02 0.00 0.00 63.50 62.11 3hox n PRO 176 Cb 0.49 -2.77 -0.03 0.00 -0.02 0.00 0.00 33.50 31.17 3hox n PRO 176 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3hox s ARG 177 N 1.45 3.46 -0.00 -0.52 0.52 -1.26 -0.17 118.95 122.43 3hox s ARG 177 Ca 0.78 -0.56 0.07 0.00 -0.52 0.00 0.00 55.73 55.50 3hox s ARG 177 Cb -0.56 -2.92 -0.02 0.00 0.52 0.00 0.00 34.95 31.97 3hox s ARG 177 CO 0.35 0.47 -0.21 -1.50 0.02 0.00 0.00 175.30 174.43 3hox s ILE 178 N -1.82 1.69 0.48 1.52 2.07 0.30 -4.77 121.20 120.67 3hox s ILE 178 Ca 0.35 -0.99 -0.23 0.00 -1.41 0.00 0.00 60.65 58.37 3hox s ILE 178 Cb -0.11 -1.42 -0.08 0.00 0.13 0.00 0.00 42.46 40.99 3hox s ILE 178 CO 0.29 0.41 1.27 0.00 -1.91 0.00 0.00 174.94 175.00 3hox n GLN 179 N 2.38 1.76 0.26 3.50 1.13 -1.26 -1.63 117.38 123.53 3hox n GLN 179 Ca -0.16 0.64 0.16 0.00 -1.94 0.00 0.00 57.00 55.70 3hox n GLN 179 Cb 0.53 -2.43 0.58 0.00 0.11 0.00 0.00 30.24 29.03 3hox n GLN 179 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 3hox h ARG 180 N 1.72 0.00 0.00 -1.09 2.43 -1.95 -2.58 114.38 112.91 3hox h ARG 180 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3hox h ARG 180 Cb 1.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 3hox h ARG 180 CO 0.58 0.00 -1.06 0.00 -1.51 0.00 0.00 179.97 177.98 3hox n ALA 181 N -2.08 3.90 -1.42 2.80 0.00 -1.26 -4.64 120.51 117.81 3hox n ALA 181 Ca 0.01 -0.49 -0.52 0.00 0.00 0.00 0.00 53.44 52.45 3hox n ALA 181 Cb 0.35 -0.89 -0.05 0.00 0.00 0.00 0.00 19.45 18.86 3hox n ALA 181 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hox n ASP 182 N -1.75 -0.72 -0.16 0.00 -0.08 -0.97 -4.74 116.55 108.12 3hox n ASP 182 Ca 0.03 1.12 -0.09 0.00 -1.51 0.00 0.00 54.79 54.34 3hox n ASP 182 Cb 0.40 -0.92 -0.04 0.00 2.34 0.00 0.00 41.12 42.90 3hox n ASP 182 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3hox h PRO 183 N 1.80 -0.26 -0.50 -0.67 0.11 -1.94 0.11 132.00 130.66 3hox h PRO 183 Ca -0.37 0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.73 3hox h PRO 183 Cb 1.41 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.56 3hox h PRO 183 CO 0.59 -0.17 0.21 0.28 -0.21 0.00 0.00 178.00 178.70 3hox h VAL 184 N -0.27 1.21 -1.26 3.15 2.07 -1.97 -2.50 116.25 116.68 3hox h VAL 184 Ca 0.16 -0.62 0.38 0.00 0.82 0.00 0.00 66.70 67.44 3hox h VAL 184 Cb 0.57 0.69 -0.11 0.00 -1.52 0.00 0.00 31.29 30.93 3hox h VAL 184 CO -0.63 0.24 0.83 0.00 0.02 0.00 0.00 177.57 178.03 3hox h ALA 185 N 1.06 2.69 0.00 1.67 0.00 -1.28 0.38 119.26 123.78 3hox h ALA 185 Ca 0.17 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 3hox h ALA 185 Cb 0.17 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hox h ALA 185 CO -0.02 -1.22 -0.39 -0.07 0.00 0.00 0.00 179.25 177.55 3hox h LEU 186 N 0.16 0.00 -0.84 0.00 3.38 -1.16 0.33 115.31 117.18 3hox h LEU 186 Ca 0.73 -0.71 0.16 0.00 0.09 0.00 0.00 57.88 58.15 3hox h LEU 186 Cb 2.29 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 42.88 3hox h LEU 186 CO -0.31 1.08 -0.22 0.00 0.09 0.00 0.00 178.44 179.08 3hox n TYR 187 N -4.58 0.27 0.90 1.13 9.36 0.03 0.45 117.16 124.72 3hox n TYR 187 Ca -0.15 1.03 0.08 0.00 3.32 0.00 0.00 57.90 62.17 3hox n TYR 187 Cb 0.48 -0.97 0.23 0.00 -0.63 0.00 0.00 39.34 38.45 3hox n TYR 187 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3hox n LEU 188 N -5.36 1.98 -3.73 2.98 4.77 -0.63 -4.82 117.00 112.18 3hox n LEU 188 Ca 0.13 -0.94 -0.30 0.00 -0.03 0.00 0.00 56.01 54.86 3hox n LEU 188 Cb 0.41 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.31 3hox n LEU 188 CO -0.10 0.47 -0.09 0.61 -1.33 0.00 0.00 177.39 176.95 3hox n GLY 189 N 1.13 -1.06 3.78 -0.72 0.00 1.56 -4.94 105.19 104.93 3hox n GLY 189 Ca 0.14 0.47 -0.29 0.00 0.00 0.00 0.00 46.02 46.34 3hox n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hox s LEU 190 N -6.10 1.99 -0.03 0.99 1.43 0.12 -5.00 118.68 112.07 3hox s LEU 190 Ca 0.33 0.98 -0.02 0.00 -1.03 0.00 0.00 54.13 54.39 3hox s LEU 190 Cb -0.14 -3.30 0.01 0.00 0.03 0.00 0.00 46.19 42.80 3hox s LEU 190 CO 0.88 -2.58 0.06 -0.54 0.23 0.00 0.00 176.35 174.41 3hox s LYS 191 N -5.26 0.06 -0.37 1.70 -0.14 -1.26 -4.97 119.74 109.50 3hox s LYS 191 Ca 0.64 0.13 -0.45 0.00 -1.36 0.00 0.00 55.97 54.92 3hox s LYS 191 Cb -0.15 -0.02 -0.20 0.00 -1.68 0.00 0.00 37.83 35.78 3hox s LYS 191 CO 0.54 -0.04 1.48 -2.13 -0.76 0.00 0.00 175.35 174.43 3hox n ARG 192 N 3.31 0.05 0.00 1.68 0.63 -1.26 0.26 116.66 121.32 3hox n ARG 192 Ca -0.16 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 3hox n ARG 192 Cb 0.58 -1.53 0.00 0.00 0.45 0.00 0.00 32.46 31.96 3hox n ARG 192 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hox n GLY 193 N 3.43 2.41 3.71 5.14 0.00 -1.19 -4.98 105.19 113.71 3hox n GLY 193 Ca 0.28 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 3hox n GLY 193 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hox s GLU 194 N 0.00 1.63 -0.08 1.61 2.02 0.14 -4.56 118.70 119.46 3hox s GLU 194 Ca 0.00 1.58 0.01 0.00 0.02 0.00 0.00 54.97 56.57 3hox s GLU 194 Cb 0.00 -1.79 0.02 0.00 0.10 0.00 0.00 34.13 32.46 3hox s GLU 194 CO 0.00 -2.18 -0.08 0.08 0.02 0.00 0.00 175.26 173.10 3hox s VAL 195 N -2.43 0.91 0.77 2.63 1.01 -1.26 -1.66 120.40 120.36 3hox s VAL 195 Ca 0.69 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.36 3hox s VAL 195 Cb -0.24 -0.90 0.16 0.00 0.00 0.00 0.00 36.38 35.39 3hox s VAL 195 CO 0.53 0.33 1.05 1.33 0.00 0.00 0.00 175.10 178.34 3hox n VAL 196 N 4.39 0.00 -3.67 2.92 0.24 0.01 -3.02 118.33 119.20 3hox n VAL 196 Ca -0.18 -1.52 -0.25 0.00 -2.04 0.00 0.00 64.34 60.34 3hox n VAL 196 Cb 0.51 -0.96 -0.17 0.00 -1.47 0.00 0.00 33.84 31.74 3hox n VAL 196 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3hox s LYS 197 N -5.25 0.26 -0.39 7.34 2.20 -0.71 -3.00 119.74 120.21 3hox s LYS 197 Ca 0.68 -0.10 -0.18 0.00 -0.36 0.00 0.00 55.97 56.01 3hox s LYS 197 Cb -0.04 -1.67 0.01 0.00 -1.51 0.00 0.00 37.83 34.62 3hox s LYS 197 CO 0.46 -0.59 0.49 0.42 -0.36 0.00 0.00 175.35 175.77 3hox s ILE 198 N 2.05 5.03 -0.28 5.43 1.01 0.27 -2.86 121.20 131.85 3hox s ILE 198 Ca 0.02 0.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.64 3hox s ILE 198 Cb -0.15 -4.01 -0.00 0.00 0.01 0.00 0.00 42.46 38.31 3hox s ILE 198 CO -0.08 -0.33 0.08 -0.63 0.00 0.00 0.00 174.94 173.99 3hox s ILE 199 N 2.33 4.11 0.20 2.92 1.01 -0.93 -0.27 121.20 130.56 3hox s ILE 199 Ca 0.16 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.32 3hox s ILE 199 Cb -0.16 -3.06 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 3hox s ILE 199 CO 0.14 0.15 -0.03 0.00 0.00 0.00 0.00 174.94 175.20 3hox s ARG 200 N 1.54 1.23 1.06 2.79 1.70 -0.54 -3.63 118.95 123.11 3hox s ARG 200 Ca 0.04 -1.59 -0.12 0.00 -0.47 0.00 0.00 55.73 53.58 3hox s ARG 200 Cb -0.17 -0.57 0.23 0.00 -0.57 0.00 0.00 34.95 33.87 3hox s ARG 200 CO 0.03 -0.05 1.07 0.15 -1.08 0.00 0.00 175.30 175.41 3hox s LYS 201 N -3.84 -0.10 -0.24 3.89 -0.14 -1.26 -0.60 119.74 117.45 3hox s LYS 201 Ca 0.25 0.91 -0.06 0.00 -1.36 0.00 0.00 55.97 55.70 3hox s LYS 201 Cb 0.05 -1.64 0.12 0.00 -1.68 0.00 0.00 37.83 34.67 3hox s LYS 201 CO 0.06 -3.19 0.48 0.45 -0.76 0.00 0.00 175.35 172.38 3hox s SER 202 N -2.81 -0.47 0.44 2.83 0.15 -1.07 -4.51 113.70 108.26 3hox s SER 202 Ca 0.67 0.93 0.30 0.00 0.70 0.00 0.00 55.95 58.55 3hox s SER 202 Cb -0.23 1.59 1.57 0.00 -1.71 0.00 0.00 66.02 67.25 3hox s SER 202 CO 0.61 -0.25 1.92 1.05 1.20 0.00 0.00 173.24 177.78 3hox h GLU 203 N 8.12 0.00 0.00 5.44 4.11 -1.97 0.43 114.58 130.71 3hox h GLU 203 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 3hox h GLU 203 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3hox h GLU 203 CO 0.17 0.00 -0.55 -2.37 0.07 0.00 0.00 179.01 176.33 3hox n THR 204 N -2.59 0.98 0.37 -1.06 5.66 -1.26 -4.74 114.28 111.64 3hox n THR 204 Ca -0.01 0.28 0.12 0.00 -3.05 0.00 0.00 64.05 61.38 3hox n THR 204 Cb 0.09 -2.08 0.04 0.00 -1.55 0.00 0.00 70.33 66.84 3hox n THR 204 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3hox n SER 205 N -3.81 0.68 0.00 1.09 3.41 -1.19 -4.97 113.62 108.82 3hox n SER 205 Ca -0.08 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 3hox n SER 205 Cb 0.29 0.57 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 3hox n SER 205 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hox n GLY 206 N 1.29 3.09 3.21 5.00 0.00 0.15 -4.95 105.19 112.98 3hox n GLY 206 Ca 0.01 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 3hox n GLY 206 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hox s ARG 207 N 0.00 0.37 -0.01 1.61 1.81 -1.26 -2.61 118.95 118.87 3hox s ARG 207 Ca 0.00 0.47 0.01 0.00 -1.72 0.00 0.00 55.73 54.49 3hox s ARG 207 Cb 0.00 0.16 -0.00 0.00 -0.45 0.00 0.00 34.95 34.66 3hox s ARG 207 CO 0.00 -0.06 -0.04 -0.47 -0.68 0.00 0.00 175.30 174.05 3hox s TYR 208 N 0.28 0.42 -0.23 -0.53 5.04 0.24 -4.82 117.35 117.74 3hox s TYR 208 Ca -0.01 -0.08 -0.03 0.00 -2.44 0.00 0.00 57.07 54.52 3hox s TYR 208 Cb -0.03 -0.28 0.01 0.00 0.35 0.00 0.00 41.96 42.01 3hox s TYR 208 CO -0.01 -0.02 -0.06 0.00 -1.34 0.00 0.00 175.55 174.13 3hox s ALA 209 N -0.04 2.73 0.24 3.97 0.00 -1.26 -1.47 121.76 125.93 3hox s ALA 209 Ca 0.01 -1.31 0.10 0.00 0.00 0.00 0.00 51.96 50.77 3hox s ALA 209 Cb -0.03 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.38 3hox s ALA 209 CO -0.00 -0.60 -0.18 0.45 0.00 0.00 0.00 175.76 175.42 3hox s SER 210 N 1.40 3.16 -0.04 0.00 0.15 0.63 -4.98 113.70 114.01 3hox s SER 210 Ca 0.03 -1.00 0.05 0.00 0.70 0.00 0.00 55.95 55.74 3hox s SER 210 Cb -0.15 -0.23 -0.01 0.00 -1.71 0.00 0.00 66.02 63.92 3hox s SER 210 CO -0.05 -0.03 -0.21 -0.31 1.20 0.00 0.00 173.24 173.85 3hox s TYR 211 N -2.54 2.00 -0.11 3.44 1.51 -1.26 0.97 117.35 121.35 3hox s TYR 211 Ca 0.25 -0.55 0.03 0.00 -1.01 0.00 0.00 57.07 55.80 3hox s TYR 211 Cb -0.04 -1.32 0.01 0.00 -0.11 0.00 0.00 41.96 40.50 3hox s TYR 211 CO 0.11 -0.16 -0.21 1.03 -1.11 0.00 0.00 175.55 175.21 3hox s ARG 212 N -0.12 2.83 0.49 -0.62 1.81 -1.16 -4.02 118.95 118.16 3hox s ARG 212 Ca -0.02 -0.80 0.03 0.00 -1.72 0.00 0.00 55.73 53.23 3hox s ARG 212 Cb -0.12 -2.22 0.02 0.00 -0.45 0.00 0.00 34.95 32.19 3hox s ARG 212 CO 0.02 0.08 0.69 -1.50 -0.68 0.00 0.00 175.30 173.91 3hox s ILE 213 N 0.58 3.03 -0.03 1.52 2.07 0.76 -0.81 121.20 128.33 3hox s ILE 213 Ca -0.14 -0.75 -0.03 0.00 -1.41 0.00 0.00 60.65 58.33 3hox s ILE 213 Cb -0.17 -3.09 -0.04 0.00 0.13 0.00 0.00 42.46 39.29 3hox s ILE 213 CO 0.04 -0.06 0.14 0.00 -1.91 0.00 0.00 174.94 173.16