#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hov n GLU 21 N 0.00 0.00 -0.90 0.11 0.28 -1.26 -1.11 120.64 117.76 3hov n GLU 21 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.94 3hov n GLU 21 Cb 0.00 -1.24 -0.06 0.00 1.43 0.00 0.00 31.44 31.58 3hov n GLU 21 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 3hov n SER 22 N 1.18 -0.81 -4.91 -1.84 7.64 -1.26 -4.06 113.62 109.55 3hov n SER 22 Ca 0.00 -1.65 -0.27 0.00 1.01 0.00 0.00 58.87 57.96 3hov n SER 22 Cb 0.00 0.24 0.06 0.00 -1.01 0.00 0.00 64.21 63.50 3hov n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hov s ALA 23 N 0.00 3.05 0.99 -0.43 0.00 -0.27 -4.84 121.76 120.26 3hov s ALA 23 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3hov s ALA 23 Cb 0.00 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.38 3hov s ALA 23 CO 0.00 -1.23 0.00 -0.35 0.00 0.00 0.00 175.76 174.18 3hov n PRO 24 N -2.93 1.68 -3.15 0.00 -0.04 -1.26 -1.55 135.00 127.75 3hov n PRO 24 Ca 0.07 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.57 3hov n PRO 24 Cb 0.59 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.05 3hov n PRO 24 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3hov s ILE 25 N 0.00 -1.00 0.65 0.52 -4.36 -1.26 -1.97 121.20 113.77 3hov s ILE 25 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 60.65 60.28 3hov s ILE 25 Cb 0.00 -1.00 0.16 0.00 1.25 0.00 0.00 42.46 42.87 3hov s ILE 25 CO 0.00 0.00 0.51 0.35 0.24 0.00 0.00 174.94 176.04 3hov n THR 26 N 5.43 0.00 0.00 8.37 -2.24 -1.26 -4.55 114.28 120.03 3hov n THR 26 Ca 0.02 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3hov n THR 26 Cb 0.52 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 3hov n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hov n ALA 27 N -4.08 -0.10 -0.56 6.98 0.00 -1.26 -2.30 120.51 119.18 3hov n ALA 27 Ca -0.10 0.00 0.42 0.00 0.00 0.00 0.00 53.44 53.76 3hov n ALA 27 Cb 0.29 0.23 0.65 0.00 0.00 0.00 0.00 19.45 20.62 3hov n ALA 27 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3hov n GLU 28 N -1.73 0.00 0.19 0.00 4.07 -1.26 -1.09 120.64 120.83 3hov n GLU 28 Ca 0.00 0.87 -0.14 0.00 -0.06 0.00 0.00 57.16 57.82 3hov n GLU 28 Cb 0.00 -2.01 -0.07 0.00 -0.06 0.00 0.00 31.44 29.30 3hov n GLU 28 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 3hov h ASP 29 N 0.00 -0.54 -1.42 4.31 3.32 -1.79 -3.10 116.42 117.19 3hov h ASP 29 Ca 0.75 0.04 0.49 0.00 0.02 0.00 0.00 57.03 58.32 3hov h ASP 29 Cb 3.03 0.17 -0.14 0.00 0.22 0.00 0.00 39.33 42.61 3hov h ASP 29 CO -0.01 -0.33 0.92 -1.54 -1.72 0.00 0.00 179.24 176.56 3hov n SER 30 N -5.34 0.20 0.04 6.45 3.41 -0.25 -0.87 113.62 117.27 3hov n SER 30 Ca -0.09 1.37 -0.11 0.00 -0.26 0.00 0.00 58.87 59.77 3hov n SER 30 Cb 0.25 -0.67 -0.04 0.00 -0.26 0.00 0.00 64.21 63.48 3hov n SER 30 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 3hov h TRP 31 N 0.00 -0.74 -1.08 7.33 -0.00 -1.73 0.12 115.95 119.86 3hov h TRP 31 Ca 0.89 0.03 0.29 0.00 -0.00 0.00 0.00 58.89 60.10 3hov h TRP 31 Cb 2.91 0.33 -0.10 0.00 -0.00 0.00 0.00 29.16 32.30 3hov h TRP 31 CO -0.01 -0.36 0.69 0.00 -0.00 0.00 0.00 178.44 178.76 3hov h ALA 32 N 0.43 2.26 0.04 1.49 0.00 -1.19 0.90 119.26 123.19 3hov h ALA 32 Ca 0.07 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hov h ALA 32 Cb 0.50 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hov h ALA 32 CO -0.26 -0.72 -0.02 0.28 0.00 0.00 0.00 179.25 178.53 3hov h VAL 33 N 0.36 1.21 -0.52 0.00 2.07 -0.92 -1.56 116.25 116.88 3hov h VAL 33 Ca 0.64 -0.81 0.01 0.00 0.82 0.00 0.00 66.70 67.36 3hov h VAL 33 Cb 1.66 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 33.15 3hov h VAL 33 CO -0.35 0.20 0.35 0.40 0.02 0.00 0.00 177.57 178.19 3hov h ILE 34 N -0.41 1.13 0.12 4.57 2.04 0.19 -0.85 117.51 124.30 3hov h ILE 34 Ca -0.01 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 3hov h ILE 34 Cb 0.38 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3hov h ILE 34 CO 0.01 0.13 -0.07 0.28 0.00 0.00 0.00 178.15 178.49 3hov h SER 35 N 0.71 -0.18 -0.85 1.72 0.02 0.77 -2.56 113.55 113.18 3hov h SER 35 Ca 0.19 0.01 0.17 0.00 -0.84 0.00 0.00 61.79 61.32 3hov h SER 35 Cb -0.08 0.06 -0.10 0.00 0.14 0.00 0.00 62.40 62.41 3hov h SER 35 CO -0.04 -0.12 0.40 0.00 -1.14 0.00 0.00 176.83 175.92 3hov h ALA 36 N 0.69 1.29 0.36 3.77 0.00 -0.16 0.68 119.26 125.89 3hov h ALA 36 Ca -0.01 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hov h ALA 36 Cb 0.16 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3hov h ALA 36 CO 0.01 -0.19 -0.35 0.35 0.00 0.00 0.00 179.25 179.06 3hov h PHE 37 N 0.52 -0.94 0.00 0.00 3.57 -0.88 -2.17 116.94 117.03 3hov h PHE 37 Ca 0.49 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.93 3hov h PHE 37 Cb 0.78 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 3hov h PHE 37 CO -0.12 -0.49 -0.28 0.74 -2.23 0.00 0.00 178.31 175.93 3hov h PHE 38 N -0.73 0.00 -0.13 0.41 0.05 -1.25 0.24 116.94 115.53 3hov h PHE 38 Ca -0.02 0.00 0.04 0.00 3.82 0.00 0.00 57.97 61.81 3hov h PHE 38 Cb 0.66 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 38.56 3hov h PHE 38 CO -0.20 0.28 -0.15 0.00 -0.18 0.00 0.00 178.31 178.05 3hov h ARG 39 N 0.00 -0.18 0.02 1.51 3.08 -0.38 -2.55 114.38 115.87 3hov h ARG 39 Ca -0.00 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3hov h ARG 39 Cb 0.73 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.82 3hov h ARG 39 CO 0.04 -0.12 -0.01 1.49 -1.07 0.00 0.00 179.97 180.29 3hov h GLU 40 N -0.19 -0.03 0.14 0.04 4.81 -0.94 -3.42 114.58 114.99 3hov h GLU 40 Ca 0.09 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.03 3hov h GLU 40 Cb 0.33 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.72 3hov h GLU 40 CO -0.24 0.17 -1.37 0.87 -0.73 0.00 0.00 179.01 177.72 3hov h LYS 41 N -1.00 0.29 -1.56 1.92 1.57 -0.63 -3.51 116.57 113.65 3hov h LYS 41 Ca -0.00 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3hov h LYS 41 Cb 0.22 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3hov h LYS 41 CO 0.01 1.20 -0.39 0.41 -0.57 0.00 0.00 179.45 180.11 3hov n GLY 42 N 1.60 -3.63 0.47 3.86 0.00 -0.96 -3.60 105.19 102.92 3hov n GLY 42 Ca -0.12 -0.99 0.20 0.00 0.00 0.00 0.00 46.02 45.10 3hov n GLY 42 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hov h LEU 43 N 0.60 0.00 -2.98 0.99 3.38 -1.91 0.20 115.31 115.59 3hov h LEU 43 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hov h LEU 43 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3hov h LEU 43 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.86 3hov n VAL 44 N -3.06 1.33 0.00 1.22 0.24 -1.26 -4.84 118.33 111.96 3hov n VAL 44 Ca 0.16 -1.22 0.00 0.00 -2.04 0.00 0.00 64.34 61.24 3hov n VAL 44 Cb 1.32 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 34.00 3hov n VAL 44 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3hov n SER 45 N 0.27 0.00 -0.05 -1.34 3.41 0.06 -1.84 113.62 114.12 3hov n SER 45 Ca 0.14 0.31 -0.01 0.00 -0.26 0.00 0.00 58.87 59.05 3hov n SER 45 Cb 0.55 -0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.41 3hov n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hov n GLN 46 N -1.26 -0.06 -0.26 4.33 10.64 -1.26 0.33 117.38 129.84 3hov n GLN 46 Ca 0.00 0.30 0.15 0.00 -1.83 0.00 0.00 57.00 55.62 3hov n GLN 46 Cb 0.00 -0.44 0.44 0.00 -0.86 0.00 0.00 30.24 29.37 3hov n GLN 46 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 3hov h GLN 47 N 0.00 0.55 0.18 2.61 1.08 -1.71 -2.44 115.11 115.39 3hov h GLN 47 Ca 0.02 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 3hov h GLN 47 Cb 0.05 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 3hov h GLN 47 CO -0.12 0.36 -0.09 -0.07 -0.95 0.00 0.00 178.83 177.96 3hov h LEU 48 N 0.56 -0.21 -0.95 1.46 3.38 -0.06 -3.27 115.31 116.23 3hov h LEU 48 Ca 0.47 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.66 3hov h LEU 48 Cb 0.93 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.62 3hov h LEU 48 CO -0.21 0.26 0.50 0.44 0.09 0.00 0.00 178.44 179.52 3hov h ASP 49 N -1.07 0.53 0.67 -0.43 3.32 -1.29 0.59 116.42 118.75 3hov h ASP 49 Ca -0.03 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3hov h ASP 49 Cb 0.19 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 3hov h ASP 49 CO 0.04 0.08 -0.07 -1.28 -1.72 0.00 0.00 179.24 176.29 3hov h SER 50 N 0.52 0.00 0.00 6.45 0.87 -1.58 -2.73 113.55 117.07 3hov h SER 50 Ca 0.59 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 61.11 3hov h SER 50 Cb 1.10 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.05 3hov h SER 50 CO -0.48 0.07 -0.23 0.15 -0.53 0.00 0.00 176.83 175.81 3hov h PHE 51 N 0.00 0.00 0.13 2.24 3.57 0.13 -3.10 116.94 119.91 3hov h PHE 51 Ca -0.00 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 3hov h PHE 51 Cb 0.42 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 3hov h PHE 51 CO 0.00 0.93 -0.44 -0.91 -2.23 0.00 0.00 178.31 175.66 3hov h ASN 52 N -1.00 -1.31 -1.58 0.41 2.35 -1.44 0.15 115.58 113.15 3hov h ASN 52 Ca -0.06 0.14 0.47 0.00 -0.55 0.00 0.00 56.30 56.30 3hov h ASN 52 Cb 0.91 0.48 -0.09 0.00 0.05 0.00 0.00 38.32 39.68 3hov h ASN 52 CO -0.04 -0.47 1.11 -0.61 -1.65 0.00 0.00 177.43 175.77 3hov h GLN 53 N -0.65 0.04 0.30 0.81 5.75 -1.65 0.74 115.11 120.45 3hov h GLN 53 Ca -0.01 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 3hov h GLN 53 Cb 0.64 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.19 3hov h GLN 53 CO -0.22 0.02 -0.14 0.35 -2.65 0.00 0.00 178.83 176.19 3hov h PHE 54 N 0.04 -0.37 0.00 3.99 3.57 -0.69 -2.91 116.94 120.56 3hov h PHE 54 Ca 0.81 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.30 3hov h PHE 54 Cb 3.02 0.12 0.00 0.00 2.79 0.00 0.00 35.95 41.88 3hov h PHE 54 CO -0.00 -0.23 0.00 0.28 -2.23 0.00 0.00 178.31 176.13 3hov n VAL 55 N -3.62 0.00 -0.01 1.41 0.31 0.58 -0.13 118.33 116.87 3hov n VAL 55 Ca -0.05 1.42 -0.00 0.00 -0.01 0.00 0.00 64.34 65.69 3hov n VAL 55 Cb 0.16 -2.23 -0.00 0.00 -0.91 0.00 0.00 33.84 30.86 3hov n VAL 55 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3hov n ASP 56 N -2.09 -0.02 0.00 4.52 9.92 0.23 -3.83 116.55 125.28 3hov n ASP 56 Ca 0.00 0.39 0.00 0.00 -0.53 0.00 0.00 54.79 54.65 3hov n ASP 56 Cb 0.00 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.30 3hov n ASP 56 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3hov n TYR 57 N -2.49 0.00 0.00 1.24 4.02 -1.13 -4.76 117.16 114.04 3hov n TYR 57 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3hov n TYR 57 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.33 3hov n TYR 57 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3hov n THR 58 N -0.47 0.00 0.22 -0.72 -1.04 -1.08 0.78 114.28 111.97 3hov n THR 58 Ca 0.00 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.09 3hov n THR 58 Cb 0.00 0.00 0.62 0.00 -1.82 0.00 0.00 70.33 69.13 3hov n THR 58 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3hov h LEU 59 N 0.00 0.04 0.12 -4.42 5.85 -0.63 -1.18 115.31 115.10 3hov h LEU 59 Ca 0.00 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3hov h LEU 59 Cb 0.00 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.02 3hov h LEU 59 CO 0.00 0.03 -0.06 -0.61 -0.34 0.00 0.00 178.44 177.46 3hov h GLN 60 N 0.05 -0.16 -0.92 1.25 5.75 0.17 -2.98 115.11 118.27 3hov h GLN 60 Ca 0.03 0.01 0.10 0.00 -0.15 0.00 0.00 58.65 58.64 3hov h GLN 60 Cb 0.06 0.04 -0.08 0.00 1.07 0.00 0.00 27.48 28.57 3hov h GLN 60 CO -0.00 0.27 0.56 -0.44 -2.65 0.00 0.00 178.83 176.57 3hov h ASP 61 N -0.67 0.82 -0.63 -0.69 5.19 -1.47 -1.26 116.42 117.71 3hov h ASP 61 Ca -0.02 0.04 -0.04 0.00 -0.62 0.00 0.00 57.03 56.39 3hov h ASP 61 Cb 0.51 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.86 3hov h ASP 61 CO 0.03 0.46 0.24 0.40 -3.12 0.00 0.00 179.24 177.25 3hov h ILE 62 N 0.92 1.24 0.00 0.35 2.04 -1.27 -0.63 117.51 120.16 3hov h ILE 62 Ca 0.44 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3hov h ILE 62 Cb 0.39 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3hov h ILE 62 CO -0.24 0.30 0.00 0.00 0.00 0.00 0.00 178.15 178.21 3hov n ILE 63 N -4.29 0.00 -3.43 -0.67 0.13 -0.51 -4.36 119.36 106.23 3hov n ILE 63 Ca 0.06 0.00 -0.28 0.00 -1.10 0.00 0.00 62.75 61.43 3hov n ILE 63 Cb 0.19 -0.32 -0.11 0.00 -0.84 0.00 0.00 39.64 38.55 3hov n ILE 63 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3hov n GLU 65 N 3.76 0.00 0.00 0.00 0.28 -1.26 -4.83 120.64 118.59 3hov n GLU 65 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 3hov n GLU 65 Cb 0.40 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.27 3hov n GLU 65 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3hov n ASP 66 N -0.69 0.93 0.00 -1.84 5.75 -1.26 -4.95 116.55 114.48 3hov n ASP 66 Ca 0.00 -0.98 0.00 0.00 -0.01 0.00 0.00 54.79 53.80 3hov n ASP 66 Cb 0.00 0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 3hov n ASP 66 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3hov n SER 67 N -0.05 0.00 -0.15 -1.12 7.64 -1.26 -4.83 113.62 113.86 3hov n SER 67 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 3hov n SER 67 Cb 0.01 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.21 3hov n SER 67 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3hov n THR 68 N 0.00 0.02 -4.37 0.44 -2.24 -1.25 -4.98 114.28 101.90 3hov n THR 68 Ca 0.00 -0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.54 3hov n THR 68 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 3hov n THR 68 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3hov n LEU 69 N 0.08 0.00 -1.14 3.22 4.77 -1.26 -4.96 117.00 117.71 3hov n LEU 69 Ca 0.00 -3.21 0.00 0.00 -0.03 0.00 0.00 56.01 52.77 3hov n LEU 69 Cb 0.01 1.47 0.00 0.00 -2.33 0.00 0.00 43.42 42.58 3hov n LEU 69 CO 0.02 -0.52 0.00 -0.38 -1.33 0.00 0.00 177.39 175.18 3hov n ILE 70 N -0.75 0.00 0.00 -0.08 5.41 -1.26 -4.88 119.36 117.80 3hov n ILE 70 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 3hov n ILE 70 Cb 0.62 -0.31 0.00 0.00 -0.71 0.00 0.00 39.64 39.24 3hov n ILE 70 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3hov n ILE 90 N 0.80 0.00 -3.95 1.39 5.41 -1.26 -5.24 119.36 116.51 3hov n ILE 90 Ca 0.00 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.53 3hov n ILE 90 Cb 0.00 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 38.88 3hov n ILE 90 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3hov s SER 91 N 0.00 5.05 -0.22 4.38 1.04 -0.57 -3.87 113.70 119.52 3hov s SER 91 Ca 0.00 -0.59 -0.02 0.00 0.48 0.00 0.00 55.95 55.82 3hov s SER 91 Cb 0.00 -0.90 0.06 0.00 0.10 0.00 0.00 66.02 65.28 3hov s SER 91 CO 0.00 -0.31 0.01 -0.36 0.98 0.00 0.00 173.24 173.57 3hov s PHE 92 N -2.34 1.52 0.00 5.02 0.40 -1.26 -1.14 117.98 120.17 3hov s PHE 92 Ca 0.39 -1.22 0.00 0.00 -0.60 0.00 0.00 56.93 55.50 3hov s PHE 92 Cb -0.05 -1.26 0.00 0.00 0.51 0.00 0.00 43.02 42.22 3hov s PHE 92 CO 0.25 -0.68 0.00 0.41 0.70 0.00 0.00 175.22 175.89 3hov n GLY 93 N 4.91 0.77 3.09 4.36 0.00 -0.82 -4.77 105.19 112.73 3hov n GLY 93 Ca -0.09 -1.76 -0.40 0.00 0.00 0.00 0.00 46.02 43.77 3hov n GLY 93 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hov n LYS 94 N 0.00 0.00 -4.49 1.61 4.81 -1.26 -4.23 118.16 114.60 3hov n LYS 94 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.13 3hov n LYS 94 Cb 0.00 -0.93 -0.11 0.00 0.02 0.00 0.00 35.03 34.01 3hov n LYS 94 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 3hov s ILE 95 N -1.44 3.26 -0.14 3.15 2.07 -1.26 -2.36 121.20 124.48 3hov s ILE 95 Ca 0.56 -1.03 0.01 0.00 -1.41 0.00 0.00 60.65 58.77 3hov s ILE 95 Cb -0.65 -2.42 -0.01 0.00 0.13 0.00 0.00 42.46 39.51 3hov s ILE 95 CO 0.57 0.31 -0.16 -0.31 -1.91 0.00 0.00 174.94 173.45 3hov s TYR 96 N -1.01 2.76 -0.27 3.50 1.51 1.15 -4.95 117.35 120.03 3hov s TYR 96 Ca 0.17 -0.89 -0.04 0.00 -1.01 0.00 0.00 57.07 55.30 3hov s TYR 96 Cb -0.11 -1.85 0.02 0.00 -0.11 0.00 0.00 41.96 39.91 3hov s TYR 96 CO 0.08 -0.37 0.01 0.54 -1.11 0.00 0.00 175.55 174.70 3hov s VAL 97 N 0.57 3.44 0.35 0.71 0.11 -1.26 -0.29 120.40 124.03 3hov s VAL 97 Ca -0.09 -0.83 -0.13 0.00 -2.93 0.00 0.00 61.98 58.00 3hov s VAL 97 Cb -0.16 -2.75 -0.08 0.00 -1.53 0.00 0.00 36.38 31.86 3hov s VAL 97 CO 0.04 0.15 0.73 0.42 -3.33 0.00 0.00 175.10 173.11 3hov s THR 98 N 1.42 4.74 0.64 5.04 -4.23 -0.77 -5.01 115.64 117.46 3hov s THR 98 Ca 0.02 0.79 -0.17 0.00 -1.18 0.00 0.00 61.69 61.14 3hov s THR 98 Cb -0.17 -3.66 -0.01 0.00 1.34 0.00 0.00 72.50 70.00 3hov s THR 98 CO -0.01 -0.30 1.17 -0.54 -0.54 0.00 0.00 174.62 174.40 3hov s LYS 99 N -3.30 2.78 0.21 3.99 -0.14 -1.26 -4.29 119.74 117.74 3hov s LYS 99 Ca 0.53 1.67 -0.26 0.00 -1.36 0.00 0.00 55.97 56.54 3hov s LYS 99 Cb -0.10 -1.92 -0.16 0.00 -1.68 0.00 0.00 37.83 33.96 3hov s LYS 99 CO 0.23 -1.32 0.46 -2.30 -0.76 0.00 0.00 175.35 171.66 3hov n PRO 100 N -2.03 0.00 -3.92 -1.68 -0.02 -1.24 -4.63 135.00 121.48 3hov n PRO 100 Ca 0.12 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.51 3hov n PRO 100 Cb 0.51 -0.97 -0.09 0.00 -0.02 0.00 0.00 33.50 32.93 3hov n PRO 100 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3hov s MET 101 N -0.97 0.63 -0.52 -0.52 -1.94 -1.26 -2.87 119.30 111.86 3hov s MET 101 Ca 0.61 -0.79 0.04 0.00 -1.71 0.00 0.00 55.69 53.84 3hov s MET 101 Cb -0.87 0.25 0.13 0.00 2.01 0.00 0.00 34.83 36.35 3hov s MET 101 CO 0.55 -0.17 0.27 0.08 -0.01 0.00 0.00 175.02 175.75 3hov s VAL 102 N -2.84 2.48 -0.87 -6.03 1.01 0.59 -4.70 120.40 110.05 3hov s VAL 102 Ca -0.03 -3.31 -0.25 0.00 0.00 0.00 0.00 61.98 58.39 3hov s VAL 102 Cb 0.00 -2.72 0.04 0.00 0.00 0.00 0.00 36.38 33.70 3hov s VAL 102 CO -0.06 -0.82 1.38 0.21 0.00 0.00 0.00 175.10 175.81 3hov s ASN 103 N -0.30 6.27 -0.06 3.32 2.47 -1.26 -3.01 114.94 122.37 3hov s ASN 103 Ca 0.18 -0.89 0.04 0.00 0.42 0.00 0.00 52.86 52.61 3hov s ASN 103 Cb -0.24 -2.56 -0.02 0.00 -1.45 0.00 0.00 41.25 36.97 3hov s ASN 103 CO -0.01 -1.72 -0.18 -1.83 -3.72 0.00 0.00 177.10 169.63 3hov s GLU 104 N 5.45 2.62 0.48 0.43 -1.05 -1.25 -5.00 118.70 120.38 3hov s GLU 104 Ca 0.41 -0.78 -0.23 0.00 -0.15 0.00 0.00 54.97 54.22 3hov s GLU 104 Cb -0.04 -2.32 -0.07 0.00 -0.44 0.00 0.00 34.13 31.26 3hov s GLU 104 CO 0.04 0.48 1.31 -1.54 0.95 0.00 0.00 175.26 176.50 3hov s SER 105 N -0.38 5.79 0.00 0.83 1.04 -1.20 -2.92 113.70 116.86 3hov s SER 105 Ca 0.03 2.65 0.00 0.00 0.48 0.00 0.00 55.95 59.12 3hov s SER 105 Cb -0.12 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.37 3hov s SER 105 CO 0.02 -1.21 0.00 0.47 0.98 0.00 0.00 173.24 173.50 3hov n ASP 106 N -0.54 -1.04 0.00 7.02 8.00 -1.26 -4.67 116.55 124.06 3hov n ASP 106 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 3hov n ASP 106 Cb 0.45 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 3hov n ASP 106 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hov n GLY 107 N -1.07 0.34 0.00 0.44 0.00 -1.15 -5.15 105.19 98.60 3hov n GLY 107 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3hov n GLY 107 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hov n VAL 108 N -0.10 0.00 -3.38 1.61 0.24 -1.26 -4.62 118.33 110.82 3hov n VAL 108 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 3hov n VAL 108 Cb 0.00 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.28 3hov n VAL 108 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3hov s THR 109 N 0.00 -0.50 0.33 3.34 2.01 -1.26 -3.76 115.64 115.81 3hov s THR 109 Ca 0.00 -0.31 -0.26 0.00 0.31 0.00 0.00 61.69 61.43 3hov s THR 109 Cb 0.00 -0.91 -0.10 0.00 0.01 0.00 0.00 72.50 71.50 3hov s THR 109 CO 0.00 -0.32 0.98 -2.28 -0.69 0.00 0.00 174.62 172.31 3hov s HIS 110 N 2.44 3.61 -1.08 4.92 5.04 -1.16 -4.72 115.29 124.34 3hov s HIS 110 Ca 0.10 1.75 -0.23 0.00 -1.54 0.00 0.00 55.06 55.15 3hov s HIS 110 Cb -0.14 -2.99 -0.02 0.00 0.04 0.00 0.00 32.58 29.46 3hov s HIS 110 CO -0.26 -0.00 1.82 0.00 -2.34 0.00 0.00 174.74 173.96 3hov s ALA 111 N -1.58 2.17 0.51 1.58 0.00 -1.26 -0.30 121.76 122.88 3hov s ALA 111 Ca 0.51 -2.09 -0.20 0.00 0.00 0.00 0.00 51.96 50.17 3hov s ALA 111 Cb -0.20 -4.61 -0.09 0.00 0.00 0.00 0.00 23.12 18.22 3hov s ALA 111 CO 0.26 -4.49 0.71 -0.11 0.00 0.00 0.00 175.76 172.13 3hov n LEU 112 N 12.29 1.51 -4.19 0.00 7.94 -1.14 -4.92 117.00 128.49 3hov n LEU 112 Ca 0.42 0.85 -0.17 0.00 -1.11 0.00 0.00 56.01 56.00 3hov n LEU 112 Cb 0.47 -1.24 -0.11 0.00 0.53 0.00 0.00 43.42 43.07 3hov n LEU 112 CO 0.66 -2.47 -0.44 -0.31 -1.11 0.00 0.00 177.39 173.72 3hov s TYR 113 N -1.53 1.22 0.00 1.96 1.51 -1.26 -4.68 117.35 114.56 3hov s TYR 113 Ca 0.68 -0.54 0.00 0.00 -1.01 0.00 0.00 57.07 56.20 3hov s TYR 113 Cb -0.50 -0.66 0.00 0.00 -0.11 0.00 0.00 41.96 40.69 3hov s TYR 113 CO 0.54 0.07 0.84 -0.35 -1.11 0.00 0.00 175.55 175.54 3hov n PRO 114 N 0.87 0.00 -0.25 -1.71 -0.04 -1.26 -1.82 135.00 130.79 3hov n PRO 114 Ca -0.18 0.71 0.23 0.00 -0.04 0.00 0.00 63.50 64.22 3hov n PRO 114 Cb 0.56 -1.34 0.42 0.00 -0.04 0.00 0.00 33.50 33.10 3hov n PRO 114 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3hov n GLN 115 N -2.13 -0.03 0.05 0.54 -0.06 -1.26 -0.22 117.38 114.26 3hov n GLN 115 Ca 0.00 0.90 -0.20 0.00 -2.00 0.00 0.00 57.00 55.70 3hov n GLN 115 Cb 0.00 -1.67 -0.14 0.00 -4.06 0.00 0.00 30.24 24.37 3hov n GLN 115 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 3hov h GLU 116 N 0.00 0.35 -0.35 3.69 4.81 -1.71 -2.97 114.58 118.40 3hov h GLU 116 Ca 0.58 -0.53 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3hov h GLU 116 Cb 1.65 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 31.21 3hov h GLU 116 CO -0.45 1.23 0.21 0.00 -0.73 0.00 0.00 179.01 179.27 3hov h ALA 117 N 0.15 1.71 0.58 2.92 0.00 0.04 0.57 119.26 125.23 3hov h ALA 117 Ca -0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3hov h ALA 117 Cb 1.61 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.26 3hov h ALA 117 CO 0.16 0.25 -0.28 0.00 0.00 0.00 0.00 179.25 179.38 3hov h ARG 118 N 0.48 -0.74 -0.19 0.00 3.08 -1.43 0.25 114.38 115.82 3hov h ARG 118 Ca 0.13 0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.27 3hov h ARG 118 Cb -0.02 0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.15 3hov h ARG 118 CO -0.02 -0.47 -0.11 -0.07 -1.07 0.00 0.00 179.97 178.23 3hov h LEU 119 N -1.17 -0.36 0.00 3.04 3.38 -1.29 -2.48 115.31 116.43 3hov h LEU 119 Ca -0.08 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hov h LEU 119 Cb 0.62 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3hov h LEU 119 CO 0.13 -0.14 0.00 0.54 0.09 0.00 0.00 178.44 179.06 3hov n ARG 120 N -5.27 0.67 -3.38 1.13 1.74 0.20 -4.92 116.66 106.83 3hov n ARG 120 Ca -0.02 0.01 -0.18 0.00 -0.77 0.00 0.00 57.85 56.89 3hov n ARG 120 Cb 0.18 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.20 3hov n ARG 120 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3hov n ASN 121 N -1.14 -4.04 -1.90 0.55 5.03 0.06 -4.91 115.26 108.90 3hov n ASN 121 Ca 0.18 -0.52 0.00 0.00 0.87 0.00 0.00 54.58 55.11 3hov n ASN 121 Cb 0.16 -4.58 0.00 0.00 -1.02 0.00 0.00 39.78 34.34 3hov n ASN 121 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3hov n LEU 122 N -4.17 0.00 -4.00 3.41 4.77 0.66 -3.89 117.00 113.78 3hov n LEU 122 Ca -0.12 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.55 3hov n LEU 122 Cb 0.60 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.54 3hov n LEU 122 CO 0.56 -0.41 -0.42 -0.89 -1.33 0.00 0.00 177.39 174.90 3hov s THR 123 N 0.78 1.91 -0.18 -5.08 2.01 -1.26 -0.11 115.64 113.71 3hov s THR 123 Ca 0.00 -1.61 -0.01 0.00 0.31 0.00 0.00 61.69 60.37 3hov s THR 123 Cb 0.00 -2.16 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 3hov s THR 123 CO 0.00 -0.19 1.21 0.00 -0.69 0.00 0.00 174.62 174.95 3hov n TYR 124 N 4.50 0.27 -0.07 4.92 9.36 -0.96 -4.75 117.16 130.42 3hov n TYR 124 Ca -0.09 -0.78 0.00 0.00 3.32 0.00 0.00 57.90 60.35 3hov n TYR 124 Cb 0.43 -0.81 0.00 0.00 -0.63 0.00 0.00 39.34 38.33 3hov n TYR 124 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3hov n SER 125 N 4.81 0.00 0.00 2.98 3.41 -1.26 -2.72 113.62 120.84 3hov n SER 125 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 3hov n SER 125 Cb 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 3hov n SER 125 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3hov n SER 126 N 0.00 0.00 -4.77 4.04 3.41 -1.21 -3.59 113.62 111.50 3hov n SER 126 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 3hov n SER 126 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3hov n SER 126 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3hov s GLY 127 N 0.00 2.86 -0.25 5.00 0.00 -1.26 -0.79 107.32 112.89 3hov s GLY 127 Ca 0.00 0.84 0.03 0.00 0.00 0.00 0.00 44.72 45.59 3hov s GLY 127 CO 0.00 1.34 -0.12 -2.27 0.00 0.00 0.00 173.10 172.05 3hov s LEU 128 N -2.29 3.25 -0.05 0.66 2.96 -1.08 -1.85 118.68 120.29 3hov s LEU 128 Ca 0.54 -1.29 0.06 0.00 -0.22 0.00 0.00 54.13 53.22 3hov s LEU 128 Cb -0.27 -1.53 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 3hov s LEU 128 CO 0.35 -0.16 -0.25 -0.36 -1.32 0.00 0.00 176.35 174.60 3hov s PHE 129 N 1.13 2.42 0.00 5.38 2.99 0.61 0.12 117.98 130.64 3hov s PHE 129 Ca -0.07 -0.67 0.03 0.00 0.00 0.00 0.00 56.93 56.21 3hov s PHE 129 Cb -0.19 -1.58 -0.01 0.00 0.00 0.00 0.00 43.02 41.24 3hov s PHE 129 CO -0.06 -0.19 -0.08 0.08 -0.00 0.00 0.00 175.22 174.97 3hov s VAL 130 N -0.24 0.64 -1.08 -0.44 1.01 -0.08 0.36 120.40 120.56 3hov s VAL 130 Ca -0.01 -0.47 -0.23 0.00 0.00 0.00 0.00 61.98 61.27 3hov s VAL 130 Cb -0.13 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 3hov s VAL 130 CO 0.03 0.09 1.85 -1.81 0.00 0.00 0.00 175.10 175.26 3hov s ASP 131 N -0.43 5.51 0.04 3.32 1.01 -0.99 -1.59 116.67 123.55 3hov s ASP 131 Ca 0.01 -1.41 -0.30 0.00 0.71 0.00 0.00 52.55 51.56 3hov s ASP 131 Cb -0.04 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 3hov s ASP 131 CO -0.00 -2.49 1.18 -0.69 0.21 0.00 0.00 175.17 173.38 3hov s VAL 132 N 8.96 4.13 -0.15 -1.27 1.01 -1.26 -1.94 120.40 129.87 3hov s VAL 132 Ca 0.64 1.52 -0.02 0.00 0.00 0.00 0.00 61.98 64.12 3hov s VAL 132 Cb -0.02 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 3hov s VAL 132 CO 0.05 0.11 -0.08 -0.54 0.00 0.00 0.00 175.10 174.63 3hov s LYS 133 N 1.18 3.48 0.00 2.72 1.02 -0.29 -4.97 119.74 122.87 3hov s LYS 133 Ca 0.58 -0.62 0.00 0.00 0.02 0.00 0.00 55.97 55.95 3hov s LYS 133 Cb -0.28 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 34.23 3hov s LYS 133 CO 0.28 0.15 0.00 0.36 -0.92 0.00 0.00 175.35 175.22 3hov n LYS 134 N 3.75 2.16 0.00 1.68 0.00 -1.26 -1.51 118.16 122.99 3hov n LYS 134 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 3hov n LYS 134 Cb 0.52 -0.93 0.00 0.00 -0.00 0.00 0.00 35.03 34.62 3hov n LYS 134 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3hov n LYS 164 N -1.54 0.00 -4.04 -1.58 4.81 -1.21 -4.86 118.16 109.75 3hov n LYS 164 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 3hov n LYS 164 Cb 0.22 -0.01 -0.11 0.00 0.02 0.00 0.00 35.03 35.14 3hov n LYS 164 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3hov s VAL 165 N -2.97 0.41 -0.21 3.15 1.01 -0.62 -4.88 120.40 116.30 3hov s VAL 165 Ca 0.00 -1.05 -0.09 0.00 0.00 0.00 0.00 61.98 60.85 3hov s VAL 165 Cb 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 3hov s VAL 165 CO 0.00 -0.43 0.10 0.12 0.00 0.00 0.00 175.10 174.89 3hov s PHE 166 N -1.45 3.28 -0.48 5.22 5.36 -1.26 -0.91 117.98 127.74 3hov s PHE 166 Ca -0.11 0.11 0.04 0.00 -0.96 0.00 0.00 56.93 56.00 3hov s PHE 166 Cb -0.10 -2.16 0.16 0.00 -0.34 0.00 0.00 43.02 40.59 3hov s PHE 166 CO -0.00 0.10 0.36 0.42 -1.46 0.00 0.00 175.22 174.63 3hov s ILE 167 N 0.69 1.03 0.10 3.12 1.09 0.12 -4.59 121.20 122.75 3hov s ILE 167 Ca 0.05 -2.96 0.00 0.00 -1.10 0.00 0.00 60.65 56.65 3hov s ILE 167 Cb -0.13 -1.70 0.00 0.00 -1.06 0.00 0.00 42.46 39.57 3hov s ILE 167 CO 0.01 -1.13 0.00 0.61 -0.10 0.00 0.00 174.94 174.33 3hov n GLY 168 N 2.80 -1.72 3.28 6.18 0.00 -0.13 -4.63 105.19 110.96 3hov n GLY 168 Ca 0.24 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 3hov n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hov s ARG 169 N -1.73 2.90 -0.54 1.61 0.52 -1.26 -2.62 118.95 117.82 3hov s ARG 169 Ca 0.00 -0.84 -0.17 0.00 -0.52 0.00 0.00 55.73 54.20 3hov s ARG 169 Cb 0.00 -2.31 0.11 0.00 0.52 0.00 0.00 34.95 33.27 3hov s ARG 169 CO 0.00 0.28 0.55 -1.17 0.02 0.00 0.00 175.30 174.98 3hov s LEU 170 N 0.10 5.84 -0.01 2.53 2.96 0.03 -4.35 118.68 125.78 3hov s LEU 170 Ca -0.10 -1.59 -0.36 0.00 -0.22 0.00 0.00 54.13 51.86 3hov s LEU 170 Cb -0.16 -2.24 -0.14 0.00 0.50 0.00 0.00 46.19 44.15 3hov s LEU 170 CO 0.06 -0.90 1.66 -0.81 -1.32 0.00 0.00 176.35 175.04 3hov n PRO 171 N 5.57 1.78 -3.65 0.98 -0.04 -1.26 -3.31 135.00 135.07 3hov n PRO 171 Ca -0.12 0.65 -0.31 0.00 -0.04 0.00 0.00 63.50 63.68 3hov n PRO 171 Cb 0.41 -2.40 -0.04 0.00 -0.04 0.00 0.00 33.50 31.43 3hov n PRO 171 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3hov s ILE 172 N 2.30 5.16 -0.08 0.52 1.01 -1.10 -4.96 121.20 124.05 3hov s ILE 172 Ca 0.88 -0.01 -0.20 0.00 0.00 0.00 0.00 60.65 61.31 3hov s ILE 172 Cb -0.81 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 3hov s ILE 172 CO 0.49 -0.01 0.57 -0.32 0.00 0.00 0.00 174.94 175.67 3hov s MET 173 N -2.80 4.37 0.66 2.79 -2.45 -1.26 -4.52 119.30 116.09 3hov s MET 173 Ca 0.41 0.64 -0.18 0.00 -1.25 0.00 0.00 55.69 55.31 3hov s MET 173 Cb -0.12 -3.42 -0.00 0.00 1.25 0.00 0.00 34.83 32.53 3hov s MET 173 CO 0.25 0.16 1.28 -0.51 1.05 0.00 0.00 175.02 177.26 3hov s LEU 174 N 0.56 3.54 0.00 4.11 1.02 -0.03 -2.56 118.68 125.31 3hov s LEU 174 Ca 0.31 2.59 0.00 0.00 0.02 0.00 0.00 54.13 57.05 3hov s LEU 174 Cb -0.16 -4.62 0.00 0.00 0.02 0.00 0.00 46.19 41.43 3hov s LEU 174 CO 0.14 -2.06 0.00 -1.14 0.02 0.00 0.00 176.35 173.31 3hov n ARG 175 N -2.03 -1.12 -2.24 1.70 3.00 -1.26 -2.10 116.66 112.60 3hov n ARG 175 Ca 0.16 0.28 -0.27 0.00 -0.00 0.00 0.00 57.85 58.02 3hov n ARG 175 Cb 0.48 -4.30 0.15 0.00 0.00 0.00 0.00 32.46 28.79 3hov n ARG 175 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3hov s SER 176 N -2.06 3.75 0.09 6.15 1.04 -1.06 -4.62 113.70 116.99 3hov s SER 176 Ca 0.00 -0.02 -0.36 0.00 0.48 0.00 0.00 55.95 56.06 3hov s SER 176 Cb 0.00 -0.20 -0.16 0.00 0.10 0.00 0.00 66.02 65.75 3hov s SER 176 CO 0.00 -2.29 1.56 0.11 0.98 0.00 0.00 173.24 173.60 3hov h LYS 177 N -1.09 -0.90 0.00 4.02 1.57 -1.94 -2.68 116.57 115.55 3hov h LYS 177 Ca -0.41 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3hov h LYS 177 Cb 1.25 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.77 3hov h LYS 177 CO 0.40 -0.60 0.00 -1.71 -0.57 0.00 0.00 179.45 176.97 3hov n ASN 178 N -5.54 0.00 -4.48 0.86 5.15 -1.26 -4.68 115.26 105.31 3hov n ASN 178 Ca -0.11 -0.70 -0.34 0.00 -0.60 0.00 0.00 54.58 52.82 3hov n ASN 178 Cb 0.45 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.58 3hov n ASN 178 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hov h TYR 180 N 7.16 0.86 -0.00 0.00 -1.99 -1.86 0.36 116.97 121.49 3hov h TYR 180 Ca -0.34 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.43 3hov h TYR 180 Cb 1.18 -0.21 -0.00 0.00 2.00 0.00 0.00 36.73 39.70 3hov h TYR 180 CO 0.57 -0.38 0.01 -0.07 -0.00 0.00 0.00 178.16 178.28 3hov h LEU 181 N 0.11 0.00 -0.09 3.88 3.38 -1.94 -3.11 115.31 117.53 3hov h LEU 181 Ca 0.81 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.82 3hov h LEU 181 Cb 2.05 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.75 3hov h LEU 181 CO -0.72 0.00 -0.22 0.77 0.09 0.00 0.00 178.44 178.37 3hov h SER 182 N 0.00 -0.66 0.51 -0.43 4.64 -1.10 -2.90 113.55 113.61 3hov h SER 182 Ca 0.00 0.10 -0.22 0.00 -0.47 0.00 0.00 61.79 61.20 3hov h SER 182 Cb 0.01 0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3hov h SER 182 CO -0.00 -0.27 -0.97 -0.33 -0.87 0.00 0.00 176.83 174.39 3hov h GLU 183 N -0.29 0.28 -6.57 4.77 5.08 -1.74 -3.47 114.58 112.64 3hov h GLU 183 Ca 0.09 -0.34 -0.52 0.00 -1.00 0.00 0.00 59.36 57.59 3hov h GLU 183 Cb 0.42 0.10 0.23 0.00 0.50 0.00 0.00 28.75 30.00 3hov h GLU 183 CO -0.26 1.06 -1.04 0.00 -1.00 0.00 0.00 179.01 177.77 3hov n ALA 184 N -2.50 -3.64 -2.67 3.43 0.00 -1.10 -5.05 120.51 108.99 3hov n ALA 184 Ca -0.06 -0.79 -0.09 0.00 0.00 0.00 0.00 53.44 52.50 3hov n ALA 184 Cb 0.86 -1.56 -0.07 0.00 0.00 0.00 0.00 19.45 18.68 3hov n ALA 184 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3hov s THR 185 N -2.27 0.12 0.00 0.00 -4.23 -1.26 -4.94 115.64 103.06 3hov s THR 185 Ca 0.52 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 3hov s THR 185 Cb -0.17 -1.38 0.00 0.00 1.34 0.00 0.00 72.50 72.29 3hov s THR 185 CO 0.70 -0.53 0.00 1.21 -0.54 0.00 0.00 174.62 175.46 3hov n GLU 186 N -0.12 0.00 -0.27 3.99 4.07 -1.26 0.29 120.64 127.34 3hov n GLU 186 Ca -0.14 0.00 0.06 0.00 -0.06 0.00 0.00 57.16 57.02 3hov n GLU 186 Cb 0.63 0.00 0.20 0.00 -0.06 0.00 0.00 31.44 32.21 3hov n GLU 186 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 3hov h SER 187 N 0.00 0.31 -0.49 4.31 0.02 -1.99 -1.26 113.55 114.46 3hov h SER 187 Ca 0.00 0.11 0.10 0.00 -0.84 0.00 0.00 61.79 61.16 3hov h SER 187 Cb 0.00 0.08 -0.09 0.00 0.14 0.00 0.00 62.40 62.53 3hov h SER 187 CO 0.00 0.11 -0.13 0.44 -1.14 0.00 0.00 176.83 176.11 3hov h ASP 188 N 0.46 -0.48 0.28 3.07 3.32 0.38 -1.57 116.42 121.88 3hov h ASP 188 Ca 0.43 0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.62 3hov h ASP 188 Cb 0.67 0.31 0.00 0.00 0.22 0.00 0.00 39.33 40.53 3hov h ASP 188 CO -0.41 -0.17 -0.13 -0.07 -1.72 0.00 0.00 179.24 176.74 3hov h LEU 189 N -0.01 -0.32 -1.23 1.55 3.38 -0.57 -2.05 115.31 116.06 3hov h LEU 189 Ca 0.23 0.01 0.44 0.00 0.09 0.00 0.00 57.88 58.65 3hov h LEU 189 Cb 0.37 0.08 -0.14 0.00 0.09 0.00 0.00 40.66 41.06 3hov h LEU 189 CO -0.51 -0.21 0.77 -1.22 0.09 0.00 0.00 178.44 177.36 3hov n TYR 190 N -3.09 0.76 0.22 1.13 0.53 -0.83 0.42 117.16 116.30 3hov n TYR 190 Ca -0.05 0.77 0.12 0.00 -1.02 0.00 0.00 57.90 57.72 3hov n TYR 190 Cb 0.15 -1.20 0.32 0.00 -1.03 0.00 0.00 39.34 37.58 3hov n TYR 190 CO 0.00 0.00 0.00 0.87 -1.02 0.00 0.00 176.86 176.71 3hov h LYS 191 N 0.00 0.00 -0.00 -0.72 1.57 -1.14 -2.71 116.57 113.56 3hov h LYS 191 Ca 0.83 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.61 3hov h LYS 191 Cb 2.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.88 3hov h LYS 191 CO -0.51 0.11 -0.50 1.28 -0.57 0.00 0.00 179.45 179.25 3hov n LEU 192 N -3.16 0.66 0.00 2.94 4.77 1.42 -4.93 117.00 118.70 3hov n LEU 192 Ca 0.02 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3hov n LEU 192 Cb 0.49 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3hov n LEU 192 CO 0.33 0.15 0.00 0.29 -1.33 0.00 0.00 177.39 176.83 3hov n LYS 193 N -1.33 0.00 -1.89 3.23 5.02 0.41 -4.73 118.16 118.86 3hov n LYS 193 Ca 0.07 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.95 3hov n LYS 193 Cb 0.34 -0.91 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 3hov n LYS 193 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3hov s GLU 194 N -0.20 3.96 -0.02 1.97 0.41 -1.21 -4.80 118.70 118.82 3hov s GLU 194 Ca 0.00 2.39 -0.29 0.00 -0.41 0.00 0.00 54.97 56.66 3hov s GLU 194 Cb 0.00 -2.83 -0.03 0.00 -1.78 0.00 0.00 34.13 29.49 3hov s GLU 194 CO 0.00 -0.58 0.93 0.00 -0.49 0.00 0.00 175.26 175.12 3hov h PRO 196 N 6.80 0.02 0.00 0.00 0.13 -1.92 -0.81 132.00 136.22 3hov h PRO 196 Ca -0.41 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3hov h PRO 196 Cb 1.21 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3hov h PRO 196 CO 0.75 0.01 0.07 0.74 -0.23 0.00 0.00 178.00 179.34 3hov h PHE 197 N 0.02 0.00 -3.53 1.56 -1.00 -2.00 -3.44 116.94 108.54 3hov h PHE 197 Ca 0.24 0.00 -0.54 0.00 2.81 0.00 0.00 57.97 60.47 3hov h PHE 197 Cb 0.36 0.00 0.20 0.00 3.61 0.00 0.00 35.95 40.12 3hov h PHE 197 CO -0.40 0.00 -0.31 -3.47 -1.61 0.00 0.00 178.31 172.52 3hov n ASP 198 N -2.73 -1.10 -0.01 2.17 2.03 -0.31 -4.93 116.55 111.67 3hov n ASP 198 Ca -0.02 0.47 0.00 0.00 0.52 0.00 0.00 54.79 55.76 3hov n ASP 198 Cb 0.12 -1.28 0.00 0.00 -0.72 0.00 0.00 41.12 39.24 3hov n ASP 198 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3hov n MET 199 N -1.77 0.57 0.00 -0.67 0.00 -1.26 -5.06 117.12 108.93 3hov n MET 199 Ca 0.09 -0.41 0.00 0.00 0.00 0.00 0.00 57.70 57.38 3hov n MET 199 Cb 0.52 -0.91 0.00 0.00 0.00 0.00 0.00 33.22 32.83 3hov n MET 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3hov n GLY 200 N 0.21 0.88 1.49 3.17 0.00 -1.26 -4.84 105.19 104.82 3hov n GLY 200 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3hov n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hov n GLY 201 N 0.00 0.75 3.45 -0.02 0.00 -0.89 -4.99 105.19 103.48 3hov n GLY 201 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3hov n GLY 201 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hov s TYR 202 N -2.59 1.99 0.47 1.61 -0.85 -1.26 -4.74 117.35 111.98 3hov s TYR 202 Ca 0.00 -0.77 0.06 0.00 -0.52 0.00 0.00 57.07 55.84 3hov s TYR 202 Cb 0.00 -1.20 0.06 0.00 0.38 0.00 0.00 41.96 41.19 3hov s TYR 202 CO 0.00 0.21 0.49 1.19 -1.52 0.00 0.00 175.55 175.92 3hov n PHE 203 N -0.64 -1.48 -3.12 -3.49 3.01 0.02 -0.85 117.46 110.92 3hov n PHE 203 Ca -0.05 -1.87 -0.21 0.00 1.01 0.00 0.00 57.45 56.34 3hov n PHE 203 Cb 0.64 -0.41 -0.05 0.00 -0.01 0.00 0.00 39.48 39.65 3hov n PHE 203 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3hov n ILE 204 N -1.79 -0.61 -2.78 4.37 5.41 -1.26 -1.97 119.36 120.72 3hov n ILE 204 Ca 0.05 -3.41 -0.40 0.00 1.00 0.00 0.00 62.75 59.99 3hov n ILE 204 Cb 0.51 -1.22 -0.06 0.00 -0.71 0.00 0.00 39.64 38.17 3hov n ILE 204 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3hov s ILE 205 N -0.66 4.17 -0.75 1.39 1.09 -1.06 -2.25 121.20 123.13 3hov s ILE 205 Ca 0.34 2.03 -0.10 0.00 -1.10 0.00 0.00 60.65 61.82 3hov s ILE 205 Cb 0.16 -4.30 0.10 0.00 -1.06 0.00 0.00 42.46 37.36 3hov s ILE 205 CO -0.14 0.48 0.24 0.59 -0.10 0.00 0.00 174.94 176.00 3hov n ASN 206 N 1.69 -0.87 0.00 3.58 3.02 -0.91 -1.86 115.26 119.90 3hov n ASN 206 Ca -0.02 -0.43 0.00 0.00 -0.03 0.00 0.00 54.58 54.10 3hov n ASN 206 Cb 0.48 -0.78 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 3hov n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hov n GLY 207 N -0.66 2.75 3.77 7.41 0.00 0.84 -4.53 105.19 114.78 3hov n GLY 207 Ca 0.05 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 3hov n GLY 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hov s SER 208 N 0.00 6.73 -0.32 1.61 1.04 -0.78 -4.52 113.70 117.47 3hov s SER 208 Ca 0.00 2.23 -0.29 0.00 0.48 0.00 0.00 55.95 58.37 3hov s SER 208 Cb 0.00 -2.61 -0.00 0.00 0.10 0.00 0.00 66.02 63.51 3hov s SER 208 CO 0.00 -0.52 1.41 -1.61 0.98 0.00 0.00 173.24 173.50 3hov s GLU 209 N -2.21 3.78 -0.14 4.02 2.02 -1.26 -2.55 118.70 122.35 3hov s GLU 209 Ca 0.55 1.25 -0.04 0.00 0.02 0.00 0.00 54.97 56.74 3hov s GLU 209 Cb -0.28 -3.96 -0.03 0.00 0.10 0.00 0.00 34.13 29.96 3hov s GLU 209 CO 0.35 -1.30 0.00 0.15 0.02 0.00 0.00 175.26 174.49 3hov s LYS 210 N 4.52 3.56 -0.17 1.61 -0.14 -0.83 -0.81 119.74 127.47 3hov s LYS 210 Ca 0.61 -0.43 -0.04 0.00 -1.36 0.00 0.00 55.97 54.75 3hov s LYS 210 Cb -0.18 -2.97 -0.03 0.00 -1.68 0.00 0.00 37.83 32.98 3hov s LYS 210 CO 0.27 0.39 -0.03 0.08 -0.76 0.00 0.00 175.35 175.30 3hov s VAL 211 N -0.01 3.92 -0.27 3.17 1.01 0.60 -0.80 120.40 128.01 3hov s VAL 211 Ca 0.03 -0.34 -0.24 0.00 0.00 0.00 0.00 61.98 61.43 3hov s VAL 211 Cb -0.13 -2.73 -0.00 0.00 0.00 0.00 0.00 36.38 33.52 3hov s VAL 211 CO 0.02 0.48 0.82 -0.76 0.00 0.00 0.00 175.10 175.65 3hov s LEU 212 N 0.51 4.07 -0.06 3.92 1.43 -1.26 -1.36 118.68 125.93 3hov s LEU 212 Ca -0.03 0.87 -0.23 0.00 -1.03 0.00 0.00 54.13 53.71 3hov s LEU 212 Cb -0.14 -3.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.89 3hov s LEU 212 CO 0.03 -0.57 0.67 -0.63 0.23 0.00 0.00 176.35 176.08 3hov s ILE 213 N 2.92 5.03 0.05 -0.59 -1.09 -1.26 -4.71 121.20 121.54 3hov s ILE 213 Ca 0.34 1.39 -0.35 0.00 -2.23 0.00 0.00 60.65 59.79 3hov s ILE 213 Cb -0.15 -4.01 -0.15 0.00 -1.58 0.00 0.00 42.46 36.58 3hov s ILE 213 CO 0.10 0.28 1.58 0.00 -1.23 0.00 0.00 174.94 175.67 3hov n ALA 214 N 3.61 0.40 -2.64 9.38 0.00 -1.07 -4.78 120.51 125.40 3hov n ALA 214 Ca -0.02 0.43 -0.38 0.00 0.00 0.00 0.00 53.44 53.47 3hov n ALA 214 Cb 0.51 -2.28 -0.09 0.00 0.00 0.00 0.00 19.45 17.59 3hov n ALA 214 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3hov s GLN 215 N 1.63 4.06 0.23 0.00 -1.52 -0.77 -0.89 119.66 122.40 3hov s GLN 215 Ca 0.85 -0.13 -0.04 0.00 -1.95 0.00 0.00 55.36 54.09 3hov s GLN 215 Cb -0.81 -3.58 -0.05 0.00 -0.22 0.00 0.00 33.01 28.35 3hov s GLN 215 CO 0.46 -0.05 0.47 -2.00 -0.25 0.00 0.00 175.29 173.91 3hov s GLU 216 N 1.39 3.61 0.01 2.91 2.12 -0.57 -0.08 118.70 128.09 3hov s GLU 216 Ca 0.11 -0.10 -0.29 0.00 0.36 0.00 0.00 54.97 55.05 3hov s GLU 216 Cb -0.15 -2.75 0.11 0.00 0.26 0.00 0.00 34.13 31.60 3hov s GLU 216 CO 0.07 0.33 1.16 -0.98 -0.54 0.00 0.00 175.26 175.30 3hov s ARG 217 N -3.23 0.64 -0.10 4.30 1.04 -0.31 -4.63 118.95 116.66 3hov s ARG 217 Ca 0.42 -0.34 -0.28 0.00 -1.04 0.00 0.00 55.73 54.49 3hov s ARG 217 Cb -0.11 0.23 -0.02 0.00 -2.04 0.00 0.00 34.95 33.01 3hov s ARG 217 CO 0.28 -0.29 0.93 -1.12 -0.04 0.00 0.00 175.30 175.06 3hov s SER 218 N -2.83 7.17 0.82 -2.89 0.01 -1.26 0.12 113.70 114.84 3hov s SER 218 Ca 0.12 1.43 -0.16 0.00 1.31 0.00 0.00 55.95 58.65 3hov s SER 218 Cb 0.02 -2.52 -0.09 0.00 0.21 0.00 0.00 66.02 63.64 3hov s SER 218 CO -0.03 -0.37 -0.14 0.00 0.41 0.00 0.00 173.24 173.11 3hov n ALA 219 N 4.77 -3.55 -2.64 1.44 0.00 0.22 -4.76 120.51 115.98 3hov n ALA 219 Ca 0.06 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3hov n ALA 219 Cb 0.49 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3hov n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hov n GLY 220 N 2.52 1.59 3.65 0.00 0.00 -1.26 -4.73 105.19 106.95 3hov n GLY 220 Ca 0.04 -2.07 -0.18 0.00 0.00 0.00 0.00 46.02 43.82 3hov n GLY 220 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hov n ASN 221 N -2.54 -1.83 -3.82 1.61 3.02 0.41 -4.92 115.26 107.20 3hov n ASN 221 Ca 0.00 -0.52 -0.12 0.00 -0.03 0.00 0.00 54.58 53.90 3hov n ASN 221 Cb 0.00 -0.68 -0.11 0.00 -0.61 0.00 0.00 39.78 38.39 3hov n ASN 221 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hov s ILE 222 N -3.81 0.04 -0.05 2.41 1.01 -1.26 -4.35 121.20 115.19 3hov s ILE 222 Ca 0.15 -0.31 -0.20 0.00 0.00 0.00 0.00 60.65 60.29 3hov s ILE 222 Cb -0.09 -0.40 -0.05 0.00 0.01 0.00 0.00 42.46 41.94 3hov s ILE 222 CO 0.41 -0.17 0.57 0.68 0.00 0.00 0.00 174.94 176.43 3hov s VAL 223 N -0.62 5.04 -0.12 2.92 -7.23 -1.26 -3.92 120.40 115.21 3hov s VAL 223 Ca -0.07 1.17 -0.08 0.00 -1.81 0.00 0.00 61.98 61.18 3hov s VAL 223 Cb -0.04 -3.90 0.04 0.00 0.56 0.00 0.00 36.38 33.04 3hov s VAL 223 CO 0.01 0.36 0.31 -1.10 -0.31 0.00 0.00 175.10 174.37 3hov s GLN 224 N 0.24 0.31 -0.10 4.82 -0.21 -0.37 -5.00 119.66 119.35 3hov s GLN 224 Ca 0.30 0.53 -0.01 0.00 0.02 0.00 0.00 55.36 56.21 3hov s GLN 224 Cb -0.17 0.03 -0.03 0.00 1.00 0.00 0.00 33.01 33.85 3hov s GLN 224 CO 0.15 -0.11 -0.06 0.14 -2.12 0.00 0.00 175.29 173.29 3hov s VAL 225 N 0.78 3.71 0.02 1.09 -7.23 -1.26 -0.53 120.40 116.99 3hov s VAL 225 Ca -0.05 -0.45 0.04 0.00 -1.81 0.00 0.00 61.98 59.70 3hov s VAL 225 Cb -0.06 -2.56 -0.01 0.00 0.56 0.00 0.00 36.38 34.30 3hov s VAL 225 CO -0.05 0.56 -0.11 -0.36 -0.31 0.00 0.00 175.10 174.82 3hov s PHE 226 N -0.30 1.00 0.27 2.82 2.99 -0.67 -0.59 117.98 123.51 3hov s PHE 226 Ca 0.04 -0.28 -0.19 0.00 0.00 0.00 0.00 56.93 56.51 3hov s PHE 226 Cb -0.13 -0.61 -0.09 0.00 0.00 0.00 0.00 43.02 42.19 3hov s PHE 226 CO 0.02 -0.00 0.75 0.15 -0.00 0.00 0.00 175.22 176.14 3hov s LYS 227 N -0.74 4.20 0.59 0.44 1.02 -1.26 -1.76 119.74 122.22 3hov s LYS 227 Ca 0.01 0.85 -0.04 0.00 0.02 0.00 0.00 55.97 56.81 3hov s LYS 227 Cb -0.06 -2.70 0.03 0.00 -0.52 0.00 0.00 37.83 34.57 3hov s LYS 227 CO 0.00 0.29 0.88 0.15 -0.92 0.00 0.00 175.35 175.75 3hov s LYS 228 N -2.35 2.67 0.66 1.68 -0.14 -0.12 -4.98 119.74 117.17 3hov s LYS 228 Ca 0.48 -0.29 -0.15 0.00 -1.36 0.00 0.00 55.97 54.65 3hov s LYS 228 Cb -0.14 -2.32 0.00 0.00 -1.68 0.00 0.00 37.83 33.68 3hov s LYS 228 CO 0.20 -0.79 1.12 0.00 -0.76 0.00 0.00 175.35 175.11 3hov s ALA 229 N -2.96 2.46 0.28 5.17 0.00 -1.26 -4.90 121.76 120.55 3hov s ALA 229 Ca 0.55 0.57 0.01 0.00 0.00 0.00 0.00 51.96 53.09 3hov s ALA 229 Cb -0.10 -3.33 0.68 0.00 0.00 0.00 0.00 23.12 20.37 3hov s ALA 229 CO 0.43 -1.29 1.63 0.00 0.00 0.00 0.00 175.76 176.53 3hov h ALA 230 N 0.05 1.19 -1.90 0.00 0.00 -1.97 -3.18 119.26 113.45 3hov h ALA 230 Ca -0.47 0.25 -0.69 0.00 0.00 0.00 0.00 54.91 53.99 3hov h ALA 230 Cb 1.25 0.38 -0.19 0.00 0.00 0.00 0.00 17.79 19.23 3hov h ALA 230 CO 0.54 -0.49 0.24 -1.25 0.00 0.00 0.00 179.25 178.29 3hov s PRO 231 N -5.97 3.12 -0.30 0.00 0.04 -1.26 -4.93 135.00 125.70 3hov s PRO 231 Ca -0.12 -1.33 -0.18 0.00 0.04 0.00 0.00 61.00 59.41 3hov s PRO 231 Cb 0.26 -4.32 0.20 0.00 0.04 0.00 0.00 34.50 30.68 3hov s PRO 231 CO 0.77 -1.60 1.26 0.45 0.04 0.00 0.00 177.00 177.92 3hov s SER 232 N 3.58 -0.11 0.57 6.66 0.15 -1.20 -5.01 113.70 118.33 3hov s SER 232 Ca 0.15 0.19 0.37 0.00 0.70 0.00 0.00 55.95 57.36 3hov s SER 232 Cb -0.21 0.88 1.81 0.00 -1.71 0.00 0.00 66.02 66.79 3hov s SER 232 CO 0.05 -0.03 2.12 1.55 1.20 0.00 0.00 173.24 178.13 3hov h PRO 233 N 4.87 0.00 -5.86 5.44 0.13 -1.91 -3.43 132.00 131.24 3hov h PRO 233 Ca -0.27 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.23 3hov h PRO 233 Cb 1.17 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 3hov h PRO 233 CO 0.22 0.00 -0.33 0.42 -0.23 0.00 0.00 178.00 178.08 3hov s ILE 234 N -3.85 5.25 -0.08 -3.56 1.09 -1.26 -1.47 121.20 117.32 3hov s ILE 234 Ca -0.02 0.52 -0.03 0.00 -1.10 0.00 0.00 60.65 60.02 3hov s ILE 234 Cb 0.11 -3.57 -0.01 0.00 -1.06 0.00 0.00 42.46 37.92 3hov s ILE 234 CO 0.46 0.57 -0.06 -1.28 -0.10 0.00 0.00 174.94 174.52 3hov h SER 235 N 4.73 0.00 -4.32 3.58 0.87 -1.71 -3.41 113.55 113.28 3hov h SER 235 Ca -0.53 0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 59.64 3hov h SER 235 Cb 1.22 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.04 3hov h SER 235 CO 0.61 0.40 -0.59 -1.00 -0.53 0.00 0.00 176.83 175.72 3hov s HIS 236 N -1.59 1.62 -0.09 2.24 3.76 -1.26 -0.94 115.29 119.03 3hov s HIS 236 Ca -0.05 -1.22 -0.16 0.00 -0.15 0.00 0.00 55.06 53.48 3hov s HIS 236 Cb 0.01 -0.95 0.04 0.00 1.11 0.00 0.00 32.58 32.78 3hov s HIS 236 CO 0.08 -0.35 0.39 0.08 -0.85 0.00 0.00 174.74 174.09 3hov s VAL 237 N -3.63 0.02 -0.33 -0.90 1.01 -0.73 -3.29 120.40 112.56 3hov s VAL 237 Ca 0.36 -0.20 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 3hov s VAL 237 Cb 0.07 -0.62 0.03 0.00 0.00 0.00 0.00 36.38 35.86 3hov s VAL 237 CO 0.15 -0.11 0.10 0.00 0.00 0.00 0.00 175.10 175.24 3hov s ALA 238 N -0.56 3.05 -0.03 5.51 0.00 -0.28 -1.66 121.76 127.79 3hov s ALA 238 Ca -0.07 -1.69 -0.00 0.00 0.00 0.00 0.00 51.96 50.21 3hov s ALA 238 Cb -0.04 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 3hov s ALA 238 CO 0.03 -1.25 0.02 -1.21 0.00 0.00 0.00 175.76 173.35 3hov s GLU 239 N 1.42 2.92 -0.14 0.00 2.02 0.31 -1.87 118.70 123.36 3hov s GLU 239 Ca -0.01 -0.52 -0.05 0.00 0.02 0.00 0.00 54.97 54.42 3hov s GLU 239 Cb -0.19 -2.76 0.07 0.00 0.10 0.00 0.00 34.13 31.35 3hov s GLU 239 CO 0.03 0.65 0.29 -1.50 0.02 0.00 0.00 175.26 174.75 3hov s ILE 240 N -1.06 -0.45 -0.47 -1.63 1.10 -1.11 -1.24 121.20 116.35 3hov s ILE 240 Ca 0.18 0.26 -0.14 0.00 -0.51 0.00 0.00 60.65 60.44 3hov s ILE 240 Cb -0.12 -0.48 0.08 0.00 0.15 0.00 0.00 42.46 42.10 3hov s ILE 240 CO 0.09 0.11 0.38 -0.13 -2.11 0.00 0.00 174.94 173.28 3hov s ARG 241 N 2.45 2.90 -0.21 3.50 0.52 -1.25 -0.61 118.95 126.24 3hov s ARG 241 Ca 0.01 -1.42 -0.20 0.00 -0.52 0.00 0.00 55.73 53.60 3hov s ARG 241 Cb -0.12 -4.08 -0.03 0.00 0.52 0.00 0.00 34.95 31.24 3hov s ARG 241 CO -0.09 -1.05 0.59 -1.54 0.02 0.00 0.00 175.30 173.23 3hov s SER 242 N 2.63 6.61 -0.06 0.23 1.04 -0.98 0.16 113.70 123.32 3hov s SER 242 Ca 0.04 0.74 -0.01 0.00 0.48 0.00 0.00 55.95 57.20 3hov s SER 242 Cb -0.25 -2.32 0.03 0.00 0.10 0.00 0.00 66.02 63.57 3hov s SER 242 CO 0.05 -0.26 -0.00 0.00 0.98 0.00 0.00 173.24 174.01 3hov s ALA 243 N 1.96 0.59 -0.53 5.32 0.00 -1.21 -2.95 121.76 124.94 3hov s ALA 243 Ca 0.26 -0.03 -0.27 0.00 0.00 0.00 0.00 51.96 51.91 3hov s ALA 243 Cb -0.16 -0.59 -0.09 0.00 0.00 0.00 0.00 23.12 22.28 3hov s ALA 243 CO 0.10 -0.30 2.43 1.28 0.00 0.00 0.00 175.76 179.27 3hov n LEU 244 N 4.74 2.09 -0.28 0.00 4.77 -1.16 -4.75 117.00 122.40 3hov n LEU 244 Ca -0.14 -0.30 0.24 0.00 -0.03 0.00 0.00 56.01 55.78 3hov n LEU 244 Cb 0.50 -1.47 0.40 0.00 -2.33 0.00 0.00 43.42 40.52 3hov n LEU 244 CO 0.15 -1.33 0.72 1.21 -1.33 0.00 0.00 177.39 176.81 3hov n GLU 245 N 8.87 -0.02 -3.55 3.23 2.13 -1.26 -3.76 120.64 126.28 3hov n GLU 245 Ca 0.41 0.73 -0.03 0.00 0.66 0.00 0.00 57.16 58.93 3hov n GLU 245 Cb 0.45 -1.44 -0.05 0.00 0.27 0.00 0.00 31.44 30.66 3hov n GLU 245 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3hov s LYS 246 N -4.54 0.49 0.00 5.31 1.02 -1.26 -5.00 119.74 115.76 3hov s LYS 246 Ca -0.04 1.20 0.00 0.00 0.02 0.00 0.00 55.97 57.15 3hov s LYS 246 Cb 0.18 0.58 0.00 0.00 -0.52 0.00 0.00 37.83 38.07 3hov s LYS 246 CO 0.48 -0.32 0.00 0.41 -0.92 0.00 0.00 175.35 175.00 3hov n GLY 247 N 5.42 2.14 3.84 -3.33 0.00 -1.25 -4.82 105.19 107.19 3hov n GLY 247 Ca -0.09 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3hov n GLY 247 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hov n SER 248 N 0.00 0.00 -3.57 1.61 2.88 -1.26 -4.16 113.62 109.12 3hov n SER 248 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 3hov n SER 248 Cb 0.00 -2.29 0.00 0.00 -0.75 0.00 0.00 64.21 61.17 3hov n SER 248 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 3hov n ARG 249 N -1.75 -0.82 -1.50 -1.46 0.63 -1.26 -4.81 116.66 105.69 3hov n ARG 249 Ca 0.00 -0.36 -0.43 0.00 -0.92 0.00 0.00 57.85 56.15 3hov n ARG 249 Cb 0.00 0.38 0.00 0.00 0.45 0.00 0.00 32.46 33.29 3hov n ARG 249 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3hov n PHE 250 N -1.32 0.13 -2.70 -0.14 3.01 -1.26 -4.59 117.46 110.59 3hov n PHE 250 Ca -0.02 0.64 -0.07 0.00 1.01 0.00 0.00 57.45 59.01 3hov n PHE 250 Cb 0.07 -2.08 0.04 0.00 -0.01 0.00 0.00 39.48 37.50 3hov n PHE 250 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3hov n ILE 251 N -0.54 1.01 -2.99 4.37 5.41 -1.23 -3.00 119.36 122.37 3hov n ILE 251 Ca 0.11 -2.96 -0.39 0.00 1.00 0.00 0.00 62.75 60.51 3hov n ILE 251 Cb 0.37 0.81 -0.06 0.00 -0.71 0.00 0.00 39.64 40.05 3hov n ILE 251 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3hov s SER 252 N -3.18 7.35 0.04 4.38 1.04 -1.15 -4.87 113.70 117.31 3hov s SER 252 Ca 0.27 1.60 0.05 0.00 0.48 0.00 0.00 55.95 58.34 3hov s SER 252 Cb 0.43 -2.49 -0.04 0.00 0.10 0.00 0.00 66.02 64.03 3hov s SER 252 CO 0.02 0.18 -0.09 0.42 0.98 0.00 0.00 173.24 174.75 3hov s THR 253 N -0.96 3.46 -0.22 2.02 -4.23 -1.26 -2.33 115.64 112.13 3hov s THR 253 Ca 0.36 -1.00 -0.07 0.00 -1.18 0.00 0.00 61.69 59.80 3hov s THR 253 Cb -0.23 -2.54 -0.03 0.00 1.34 0.00 0.00 72.50 71.04 3hov s THR 253 CO 0.25 0.28 0.07 -0.22 -0.54 0.00 0.00 174.62 174.46 3hov s LEU 254 N -1.72 3.60 -0.15 4.79 2.96 0.22 -4.79 118.68 123.60 3hov s LEU 254 Ca 0.19 -0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 53.97 3hov s LEU 254 Cb -0.11 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 3hov s LEU 254 CO 0.10 0.06 0.02 -1.10 -1.32 0.00 0.00 176.35 174.11 3hov s GLN 255 N 1.04 3.63 -0.41 1.98 -0.21 -1.23 -2.75 119.66 121.71 3hov s GLN 255 Ca 0.04 -0.39 0.02 0.00 0.02 0.00 0.00 55.36 55.04 3hov s GLN 255 Cb -0.14 -3.03 0.13 0.00 1.00 0.00 0.00 33.01 30.96 3hov s GLN 255 CO 0.03 0.40 0.20 0.08 -2.12 0.00 0.00 175.29 173.88 3hov s VAL 256 N -0.02 1.39 0.00 1.09 1.01 -0.78 0.13 120.40 123.22 3hov s VAL 256 Ca 0.04 -2.33 0.00 0.00 0.00 0.00 0.00 61.98 59.69 3hov s VAL 256 Cb -0.13 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.27 3hov s VAL 256 CO 0.02 -0.83 0.00 0.29 0.00 0.00 0.00 175.10 174.58 3hov n LYS 257 N 3.84 2.75 0.00 2.72 4.01 0.19 -1.13 118.16 130.54 3hov n LYS 257 Ca 0.06 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.86 3hov n LYS 257 Cb 0.36 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.88 3hov n LYS 257 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 3hov n LEU 258 N 0.00 0.00 -4.03 -0.35 7.94 -1.21 -4.56 117.00 114.79 3hov n LEU 258 Ca 0.00 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.52 3hov n LEU 258 Cb 0.00 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.00 3hov n LEU 258 CO 0.00 0.00 -1.87 -1.22 -1.11 0.00 0.00 177.39 173.19 3hov n TYR 259 N 0.00 -1.87 -1.32 1.96 4.02 -0.74 -2.86 117.16 116.36 3hov n TYR 259 Ca 0.00 0.52 0.00 0.00 -0.01 0.00 0.00 57.90 58.41 3hov n TYR 259 Cb 0.00 -1.41 0.00 0.00 -0.02 0.00 0.00 39.34 37.91 3hov n TYR 259 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hov n GLY 260 N 3.34 -4.38 3.91 2.72 0.00 -0.54 -4.09 105.19 106.14 3hov n GLY 260 Ca -0.02 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 3hov n GLY 260 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hov s ARG 261 N -1.78 2.37 -0.27 1.61 0.52 -1.26 -4.28 118.95 115.84 3hov s ARG 261 Ca 0.00 -0.02 -0.42 0.00 -0.52 0.00 0.00 55.73 54.76 3hov s ARG 261 Cb 0.00 -2.11 -0.19 0.00 0.52 0.00 0.00 34.95 33.16 3hov s ARG 261 CO 0.00 -1.20 1.32 -1.91 0.02 0.00 0.00 175.30 173.53 3hov n GLU 262 N -2.97 0.00 0.00 3.54 2.13 -1.26 -1.96 120.64 120.12 3hov n GLU 262 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 3hov n GLU 262 Cb 0.60 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.86 3hov n GLU 262 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hov n GLY 263 N 2.82 2.02 0.52 8.31 0.00 -1.26 -5.00 105.19 112.59 3hov n GLY 263 Ca 0.25 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 3hov n GLY 263 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hov n SER 264 N 4.10 0.11 -4.76 1.61 3.41 -0.83 -4.82 113.62 112.44 3hov n SER 264 Ca 0.00 0.17 -0.35 0.00 -0.26 0.00 0.00 58.87 58.43 3hov n SER 264 Cb 0.00 -0.13 0.03 0.00 -0.26 0.00 0.00 64.21 63.85 3hov n SER 264 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3hov s SER 265 N 0.27 5.32 -0.05 4.04 0.01 -1.26 -4.26 113.70 117.76 3hov s SER 265 Ca 0.14 2.26 -0.00 0.00 1.31 0.00 0.00 55.95 59.66 3hov s SER 265 Cb -0.20 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.44 3hov s SER 265 CO 0.10 -1.50 0.05 0.00 0.41 0.00 0.00 173.24 172.30 3hov n ALA 266 N -1.65 -0.34 -1.34 1.44 0.00 -1.26 -4.91 120.51 112.45 3hov n ALA 266 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.18 3hov n ALA 266 Cb 0.50 -0.67 -0.02 0.00 0.00 0.00 0.00 19.45 19.26 3hov n ALA 266 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hov n ARG 267 N -1.36 2.58 -1.73 0.00 5.12 -1.26 -4.48 116.66 115.52 3hov n ARG 267 Ca -0.01 -2.15 -0.31 0.00 -1.93 0.00 0.00 57.85 53.46 3hov n ARG 267 Cb 0.51 -2.96 0.04 0.00 -1.16 0.00 0.00 32.46 28.89 3hov n ARG 267 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 3hov s THR 268 N 3.46 4.07 -0.13 0.55 -1.32 -1.26 -4.74 115.64 116.28 3hov s THR 268 Ca 0.53 0.67 0.02 0.00 -1.21 0.00 0.00 61.69 61.71 3hov s THR 268 Cb 0.14 -3.55 0.01 0.00 -1.51 0.00 0.00 72.50 67.60 3hov s THR 268 CO -0.02 -0.88 -0.19 -0.63 -2.21 0.00 0.00 174.62 170.69 3hov s ILE 269 N -3.16 1.81 0.21 5.08 1.01 -1.26 -1.78 121.20 123.10 3hov s ILE 269 Ca 0.57 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 60.45 3hov s ILE 269 Cb -0.12 -1.62 -0.05 0.00 0.01 0.00 0.00 42.46 40.67 3hov s ILE 269 CO 0.54 0.50 -0.09 -0.54 0.00 0.00 0.00 174.94 175.35 3hov s LYS 270 N 0.91 1.30 0.09 2.79 1.02 -1.26 -2.56 119.74 122.02 3hov s LYS 270 Ca -0.06 -1.60 0.01 0.00 0.02 0.00 0.00 55.97 54.33 3hov s LYS 270 Cb -0.15 -0.89 -0.04 0.00 -0.52 0.00 0.00 37.83 36.23 3hov s LYS 270 CO -0.02 0.07 -0.05 0.00 -0.92 0.00 0.00 175.35 174.43 3hov s ALA 271 N -3.17 0.86 -0.14 5.17 0.00 0.38 0.55 121.76 125.42 3hov s ALA 271 Ca 0.23 -1.32 -0.02 0.00 0.00 0.00 0.00 51.96 50.84 3hov s ALA 271 Cb 0.02 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 3hov s ALA 271 CO 0.06 -0.28 -0.05 0.99 0.00 0.00 0.00 175.76 176.48 3hov s THR 272 N -3.72 3.78 -0.08 0.00 2.01 0.35 -1.25 115.64 116.73 3hov s THR 272 Ca 0.11 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 61.71 3hov s THR 272 Cb 0.06 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 3hov s THR 272 CO -0.06 0.52 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.55 3hov s LEU 273 N 0.13 3.05 0.25 4.42 1.43 -1.26 -3.50 118.68 123.20 3hov s LEU 273 Ca -0.02 -0.10 -0.31 0.00 -1.03 0.00 0.00 54.13 52.67 3hov s LEU 273 Cb -0.14 -1.67 -0.13 0.00 0.03 0.00 0.00 46.19 44.29 3hov s LEU 273 CO 0.03 0.32 1.49 -0.81 0.23 0.00 0.00 176.35 177.61 3hov n PRO 274 N 2.54 2.30 -0.96 1.29 -0.04 -1.26 -1.39 135.00 137.47 3hov n PRO 274 Ca -0.18 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 3hov n PRO 274 Cb 0.53 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 3hov n PRO 274 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hov n TYR 275 N 2.16 0.00 -3.75 0.54 4.02 -1.26 -4.94 117.16 113.93 3hov n TYR 275 Ca 0.11 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.63 3hov n TYR 275 Cb 0.33 -0.43 -0.12 0.00 -0.02 0.00 0.00 39.34 39.11 3hov n TYR 275 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3hov s ILE 276 N -2.32 3.59 0.24 -0.72 1.01 -0.49 -4.85 121.20 117.66 3hov s ILE 276 Ca 0.00 -1.52 -0.11 0.00 0.00 0.00 0.00 60.65 59.02 3hov s ILE 276 Cb 0.00 -3.20 0.34 0.00 0.01 0.00 0.00 42.46 39.61 3hov s ILE 276 CO 0.00 -0.40 1.44 0.29 0.00 0.00 0.00 174.94 176.27 3hov n LYS 277 N 4.74 -0.14 -1.04 2.79 4.76 -1.02 -4.62 118.16 123.63 3hov n LYS 277 Ca -0.09 1.44 0.00 0.00 -2.87 0.00 0.00 58.31 56.78 3hov n LYS 277 Cb 0.43 -2.14 0.00 0.00 -1.84 0.00 0.00 35.03 31.48 3hov n LYS 277 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 3hov n GLN 278 N -5.45 2.28 -3.92 1.97 7.27 -1.26 -5.10 117.38 113.16 3hov n GLN 278 Ca 0.13 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.87 3hov n GLN 278 Cb 0.42 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.03 3hov n GLN 278 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3hov s ASP 279 N -0.60 6.31 -0.09 1.69 1.01 -1.26 -4.56 116.67 119.17 3hov s ASP 279 Ca 0.00 0.31 0.02 0.00 0.71 0.00 0.00 52.55 53.59 3hov s ASP 279 Cb 0.00 -1.96 -0.02 0.00 1.01 0.00 0.00 42.92 41.95 3hov s ASP 279 CO 0.00 0.25 -0.14 -0.63 0.21 0.00 0.00 175.17 174.85 3hov s ILE 280 N -1.35 3.01 -0.07 0.77 1.01 -0.38 -4.90 121.20 119.30 3hov s ILE 280 Ca 0.28 -0.71 -0.30 0.00 0.00 0.00 0.00 60.65 59.93 3hov s ILE 280 Cb -0.13 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.08 3hov s ILE 280 CO 0.20 0.56 1.52 -2.16 0.00 0.00 0.00 174.94 175.06 3hov s PRO 281 N -0.20 4.21 0.48 2.79 0.04 -1.26 -0.47 135.00 140.59 3hov s PRO 281 Ca 0.00 2.04 0.32 0.00 0.04 0.00 0.00 61.00 63.41 3hov s PRO 281 Cb -0.13 -3.85 1.11 0.00 0.04 0.00 0.00 34.50 31.67 3hov s PRO 281 CO 0.03 -0.77 1.19 0.44 0.04 0.00 0.00 177.00 177.94 3hov n ILE 282 N 5.29 0.00 0.19 0.56 -5.35 -1.06 -0.84 119.36 118.15 3hov n ILE 282 Ca 0.16 1.15 -0.08 0.00 -0.27 0.00 0.00 62.75 63.71 3hov n ILE 282 Cb 0.43 -1.98 -0.04 0.00 -1.74 0.00 0.00 39.64 36.32 3hov n ILE 282 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3hov h VAL 283 N 0.00 0.00 -1.23 7.28 2.07 -1.88 -1.93 116.25 120.56 3hov h VAL 283 Ca 0.60 -0.05 0.35 0.00 0.82 0.00 0.00 66.70 68.43 3hov h VAL 283 Cb 2.81 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 32.50 3hov h VAL 283 CO -0.01 0.00 0.83 0.40 0.02 0.00 0.00 177.57 178.82 3hov h ILE 284 N -0.54 0.35 0.05 4.57 2.04 -1.31 0.29 117.51 122.96 3hov h ILE 284 Ca -0.05 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 3hov h ILE 284 Cb 0.38 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3hov h ILE 284 CO 0.08 0.03 -0.03 0.40 0.00 0.00 0.00 178.15 178.64 3hov h ILE 285 N 0.16 1.19 -0.94 -0.67 2.04 -1.50 0.08 117.51 117.88 3hov h ILE 285 Ca 0.66 -0.82 0.17 0.00 1.00 0.00 0.00 64.86 65.87 3hov h ILE 285 Cb 2.18 1.73 -0.08 0.00 -0.74 0.00 0.00 36.82 39.91 3hov h ILE 285 CO -0.20 0.21 0.60 -0.26 0.00 0.00 0.00 178.15 178.49 3hov h PHE 286 N -0.44 0.87 -0.07 1.37 -1.00 0.36 0.14 116.94 118.18 3hov h PHE 286 Ca -0.01 0.03 -0.22 0.00 2.81 0.00 0.00 57.97 60.58 3hov h PHE 286 Cb 0.39 -0.27 0.01 0.00 3.61 0.00 0.00 35.95 39.69 3hov h PHE 286 CO 0.05 0.27 -0.84 0.00 -1.61 0.00 0.00 178.31 176.17 3hov h ARG 287 N 0.69 0.57 0.00 1.51 3.08 -1.21 -1.81 114.38 117.21 3hov h ARG 287 Ca 0.50 -0.52 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3hov h ARG 287 Cb 0.85 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.02 3hov h ARG 287 CO -0.26 1.14 0.00 0.00 -1.07 0.00 0.00 179.97 179.79 3hov n ALA 288 N -2.57 1.49 1.03 0.04 0.00 0.08 -0.82 120.51 119.77 3hov n ALA 288 Ca -0.07 0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.59 3hov n ALA 288 Cb 0.77 -1.35 0.05 0.00 0.00 0.00 0.00 19.45 18.92 3hov n ALA 288 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hov n LEU 289 N -2.18 1.09 0.00 0.00 4.77 0.28 -4.83 117.00 116.12 3hov n LEU 289 Ca 0.01 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 3hov n LEU 289 Cb 0.17 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3hov n LEU 289 CO 0.16 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3hov n GLY 290 N 1.47 3.16 3.54 -0.72 0.00 0.00 -4.80 105.19 107.83 3hov n GLY 290 Ca 0.06 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 3hov n GLY 290 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hov n ILE 291 N 0.00 -0.03 -0.07 -0.61 5.41 -0.72 -4.78 119.36 118.56 3hov n ILE 291 Ca 0.00 -0.51 -0.21 0.00 1.00 0.00 0.00 62.75 63.03 3hov n ILE 291 Cb 0.00 -1.64 -0.12 0.00 -0.71 0.00 0.00 39.64 37.16 3hov n ILE 291 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3hov h ILE 292 N 7.62 0.98 -3.97 1.39 2.04 -1.85 -2.97 117.51 120.76 3hov h ILE 292 Ca -0.07 -2.25 -0.47 0.00 1.00 0.00 0.00 64.86 63.07 3hov h ILE 292 Cb 1.16 2.44 -0.01 0.00 -0.74 0.00 0.00 36.82 39.67 3hov h ILE 292 CO 1.23 0.47 0.37 -2.16 0.00 0.00 0.00 178.15 178.05 3hov s PRO 293 N -2.39 4.31 0.00 2.37 0.04 -1.26 -4.88 135.00 133.19 3hov s PRO 293 Ca -0.26 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.11 3hov s PRO 293 Cb 0.05 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 32.08 3hov s PRO 293 CO 0.65 0.02 0.00 -0.25 0.04 0.00 0.00 177.00 177.46 3hov n ASP 294 N -0.05 -1.20 0.00 6.66 10.43 -1.26 -2.54 116.55 128.58 3hov n ASP 294 Ca 0.05 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.41 3hov n ASP 294 Cb 0.51 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.47 3hov n ASP 294 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hov n GLY 295 N 0.00 0.00 0.11 0.44 0.00 -1.26 -3.48 105.19 101.00 3hov n GLY 295 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3hov n GLY 295 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hov n GLU 296 N -0.42 0.68 0.01 1.61 2.13 -1.11 -3.03 120.64 120.51 3hov n GLU 296 Ca 0.00 0.10 -0.13 0.00 0.66 0.00 0.00 57.16 57.80 3hov n GLU 296 Cb 0.00 -1.46 -0.00 0.00 0.27 0.00 0.00 31.44 30.24 3hov n GLU 296 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3hov h ILE 297 N 0.00 1.33 0.00 6.31 2.04 -1.52 -2.66 117.51 123.00 3hov h ILE 297 Ca -0.51 -2.02 -0.05 0.00 1.00 0.00 0.00 64.86 63.27 3hov h ILE 297 Cb 1.86 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.94 3hov h ILE 297 CO -0.06 0.62 -0.26 -0.07 0.00 0.00 0.00 178.15 178.38 3hov h LEU 298 N 0.40 0.00 -1.25 1.44 -0.00 -1.82 -2.84 115.31 111.24 3hov h LEU 298 Ca -0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.77 3hov h LEU 298 Cb 1.31 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.96 3hov h LEU 298 CO 0.13 0.26 -0.37 -0.33 -0.00 0.00 0.00 178.44 178.13 3hov h GLU 299 N 0.00 0.00 0.01 1.13 4.39 -1.38 0.11 114.58 118.85 3hov h GLU 299 Ca -0.00 -0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 3hov h GLU 299 Cb 0.74 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 3hov h GLU 299 CO 0.03 0.38 -0.92 0.45 -1.16 0.00 0.00 179.01 177.79 3hov h HIS 300 N 0.00 0.34 0.00 4.33 3.86 -1.44 -3.37 115.15 118.86 3hov h HIS 300 Ca -0.00 -0.19 -0.08 0.00 -1.16 0.00 0.00 60.37 58.93 3hov h HIS 300 Cb 0.66 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 3hov h HIS 300 CO 0.00 1.02 -0.45 0.82 0.86 0.00 0.00 177.93 180.18 3hov h ILE 301 N 0.12 1.36 -3.34 2.45 2.04 -1.46 -3.38 117.51 115.28 3hov h ILE 301 Ca -0.05 -2.19 -0.66 0.00 1.00 0.00 0.00 64.86 62.96 3hov h ILE 301 Cb 1.57 2.73 -0.27 0.00 -0.74 0.00 0.00 36.82 40.11 3hov h ILE 301 CO 0.14 0.46 -0.74 0.00 0.00 0.00 0.00 178.15 178.02 3hov n TYR 303 N 4.27 2.80 -3.67 0.00 0.53 -1.26 -4.35 117.16 115.49 3hov n TYR 303 Ca -0.18 -1.64 -0.08 0.00 -1.02 0.00 0.00 57.90 54.97 3hov n TYR 303 Cb 0.51 -0.85 -0.09 0.00 -1.03 0.00 0.00 39.34 37.88 3hov n TYR 303 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 3hov s ASP 304 N -1.28 -0.57 0.00 7.72 -1.08 -1.26 -4.67 116.67 115.53 3hov s ASP 304 Ca 0.56 1.10 0.15 0.00 -0.52 0.00 0.00 52.55 53.84 3hov s ASP 304 Cb 0.47 1.23 0.72 0.00 -1.46 0.00 0.00 42.92 43.87 3hov s ASP 304 CO 0.11 -0.22 1.49 0.52 0.52 0.00 0.00 175.17 177.59 3hov n VAL 305 N 4.76 0.11 -1.25 1.11 0.31 -1.26 -3.48 118.33 118.64 3hov n VAL 305 Ca -0.17 -0.15 0.04 0.00 -0.01 0.00 0.00 64.34 64.05 3hov n VAL 305 Cb 0.53 0.01 0.21 0.00 -0.91 0.00 0.00 33.84 33.68 3hov n VAL 305 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3hov n ASN 306 N -0.28 2.75 -2.87 4.52 3.02 -1.26 -4.61 115.26 116.54 3hov n ASN 306 Ca 0.12 -3.42 -0.28 0.00 -0.03 0.00 0.00 54.58 50.97 3hov n ASN 306 Cb 0.15 -0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 38.75 3hov n ASN 306 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3hov n ASP 307 N -1.02 4.79 -0.30 6.41 2.03 -1.23 -4.83 116.55 122.41 3hov n ASP 307 Ca 0.24 -3.70 0.34 0.00 0.52 0.00 0.00 54.79 52.19 3hov n ASP 307 Cb 0.86 -0.58 0.72 0.00 -0.72 0.00 0.00 41.12 41.40 3hov n ASP 307 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 3hov h TRP 308 N 2.96 0.00 0.11 -0.67 5.08 -1.88 -0.57 115.95 120.98 3hov h TRP 308 Ca 0.21 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.18 3hov h TRP 308 Cb 0.58 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.73 3hov h TRP 308 CO 0.87 0.00 -0.19 1.96 -1.28 0.00 0.00 178.44 179.81 3hov h GLN 309 N 0.00 -0.30 -0.70 0.12 1.08 -1.99 1.37 115.11 114.68 3hov h GLN 309 Ca 0.55 0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.83 3hov h GLN 309 Cb 2.36 0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 29.80 3hov h GLN 309 CO -0.01 -0.20 0.40 1.98 -0.95 0.00 0.00 178.83 180.05 3hov h MET 310 N -0.31 0.70 0.54 1.46 4.05 -1.55 -2.49 114.93 117.33 3hov h MET 310 Ca -0.01 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.35 3hov h MET 310 Cb 0.29 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.93 3hov h MET 310 CO -0.06 0.46 -0.36 -0.07 0.23 0.00 0.00 176.91 177.11 3hov h LEU 311 N 0.72 -0.91 -0.97 3.39 3.38 -1.06 -1.70 115.31 118.16 3hov h LEU 311 Ca 0.32 0.06 0.30 0.00 0.09 0.00 0.00 57.88 58.65 3hov h LEU 311 Cb 0.21 0.28 -0.15 0.00 0.09 0.00 0.00 40.66 41.08 3hov h LEU 311 CO -0.19 -0.55 0.47 -0.08 0.09 0.00 0.00 178.44 178.18 3hov h GLU 312 N -0.86 0.26 -0.07 1.13 4.57 0.22 1.18 114.58 121.02 3hov h GLU 312 Ca -0.06 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.03 3hov h GLU 312 Cb 0.71 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 3hov h GLU 312 CO 0.04 0.17 -0.27 0.52 -1.18 0.00 0.00 179.01 178.29 3hov h MET 313 N 0.27 0.12 0.00 1.92 2.86 -0.92 -2.51 114.93 116.66 3hov h MET 313 Ca 0.69 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 58.29 3hov h MET 313 Cb 1.55 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.20 3hov h MET 313 CO -0.64 0.39 0.00 -0.07 1.06 0.00 0.00 176.91 177.65 3hov h LEU 314 N 0.11 0.00 0.04 1.22 3.38 0.23 -3.34 115.31 116.94 3hov h LEU 314 Ca 0.02 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.01 3hov h LEU 314 Cb 0.55 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 3hov h LEU 314 CO 0.04 0.00 -0.25 0.11 0.09 0.00 0.00 178.44 178.43 3hov h LYS 315 N 0.00 -0.39 -0.37 1.13 1.57 -0.91 -1.00 116.57 116.60 3hov h LYS 315 Ca 0.00 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.91 3hov h LYS 315 Cb 0.74 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 3hov h LYS 315 CO 0.00 -0.26 0.33 -1.00 -0.57 0.00 0.00 179.45 177.95 3hov h PRO 316 N -0.40 0.00 0.38 3.15 0.13 -1.74 -1.22 132.00 132.29 3hov h PRO 316 Ca 0.05 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.16 3hov h PRO 316 Cb 0.47 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.60 3hov h PRO 316 CO -0.20 0.00 -0.18 0.00 -0.23 0.00 0.00 178.00 177.39 3hov h VAL 318 N -0.98 0.35 -0.19 0.00 2.07 -0.37 1.32 116.25 118.46 3hov h VAL 318 Ca -0.05 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 3hov h VAL 318 Cb 0.53 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3hov h VAL 318 CO 0.09 0.01 -0.04 -0.33 0.02 0.00 0.00 177.57 177.32 3hov h GLU 319 N 0.08 0.27 0.49 1.57 5.08 -1.27 -2.04 114.58 118.77 3hov h GLU 319 Ca 0.38 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 3hov h GLU 319 Cb 0.64 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3hov h GLU 319 CO -0.66 0.33 -0.37 0.22 -1.00 0.00 0.00 179.01 177.53 3hov h ASP 320 N 0.27 -0.97 -0.12 1.42 1.82 0.29 -2.62 116.42 116.51 3hov h ASP 320 Ca 0.06 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.77 3hov h ASP 320 Cb 0.25 0.31 0.00 0.00 0.68 0.00 0.00 39.33 40.57 3hov h ASP 320 CO 0.01 -0.55 0.00 0.61 -1.61 0.00 0.00 179.24 177.70 3hov n GLY 321 N -1.49 -0.31 0.39 -0.78 0.00 -0.65 -4.37 105.19 97.98 3hov n GLY 321 Ca -0.11 -0.13 0.24 0.00 0.00 0.00 0.00 46.02 46.02 3hov n GLY 321 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hov h PHE 322 N 0.70 0.76 0.00 1.61 3.57 -0.97 -0.90 116.94 121.71 3hov h PHE 322 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3hov h PHE 322 Cb 0.19 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.72 3hov h PHE 322 CO 0.09 -0.03 0.00 0.28 -2.23 0.00 0.00 178.31 176.41 3hov n VAL 323 N -4.78 0.79 -3.32 1.41 0.31 -1.26 -4.46 118.33 107.02 3hov n VAL 323 Ca 0.29 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.53 3hov n VAL 323 Cb 0.97 -0.89 -0.07 0.00 -0.91 0.00 0.00 33.84 32.94 3hov n VAL 323 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3hov s ILE 324 N 0.03 -0.63 -0.61 2.52 1.01 -0.34 -5.03 121.20 118.14 3hov s ILE 324 Ca 0.00 -0.19 0.12 0.00 0.00 0.00 0.00 60.65 60.58 3hov s ILE 324 Cb 0.00 -0.92 -0.12 0.00 0.01 0.00 0.00 42.46 41.43 3hov s ILE 324 CO 0.00 -0.21 0.53 0.00 0.00 0.00 0.00 174.94 175.26 3hov n GLN 325 N 5.36 2.92 -4.65 2.79 3.00 -1.26 -4.93 117.38 120.61 3hov n GLN 325 Ca -0.01 -0.04 -0.28 0.00 -0.01 0.00 0.00 57.00 56.66 3hov n GLN 325 Cb 0.50 -1.08 -0.14 0.00 0.00 0.00 0.00 30.24 29.52 3hov n GLN 325 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 3hov s ASP 326 N -2.11 2.88 0.66 1.08 -4.77 -1.26 -4.84 116.67 108.30 3hov s ASP 326 Ca 0.05 -0.61 0.36 0.00 -3.30 0.00 0.00 52.55 49.05 3hov s ASP 326 Cb 0.09 -0.23 1.95 0.00 -1.09 0.00 0.00 42.92 43.64 3hov s ASP 326 CO 0.49 0.19 2.12 -0.09 0.70 0.00 0.00 175.17 178.58 3hov h ARG 327 N 4.56 0.00 0.04 2.11 2.43 -1.88 -1.62 114.38 120.03 3hov h ARG 327 Ca -0.46 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.60 3hov h ARG 327 Cb 1.16 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.72 3hov h ARG 327 CO 0.42 0.00 -0.46 1.49 -1.51 0.00 0.00 179.97 179.91 3hov h GLU 328 N 0.00 0.23 0.00 0.20 4.22 -1.95 -2.87 114.58 114.41 3hov h GLU 328 Ca 0.01 -0.31 -0.12 0.00 0.08 0.00 0.00 59.36 59.03 3hov h GLU 328 Cb 0.39 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 3hov h GLU 328 CO -0.00 1.07 -0.55 1.15 -2.18 0.00 0.00 179.01 178.50 3hov h THR 329 N -0.46 1.19 0.19 0.32 2.02 -1.81 -1.36 112.91 113.01 3hov h THR 329 Ca -0.07 -2.02 0.00 0.00 0.77 0.00 0.00 66.41 65.10 3hov h THR 329 Cb 1.27 2.15 -0.02 0.00 -1.74 0.00 0.00 68.15 69.81 3hov h THR 329 CO 0.09 0.54 -0.20 0.00 0.37 0.00 0.00 175.52 176.32 3hov h ALA 330 N 1.45 -0.40 -0.49 6.16 0.00 -1.39 0.19 119.26 124.79 3hov h ALA 330 Ca -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3hov h ALA 330 Cb 1.11 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 3hov h ALA 330 CO 0.07 -0.75 0.25 -0.07 0.00 0.00 0.00 179.25 178.75 3hov h LEU 331 N -0.42 0.63 -0.07 0.00 4.07 -1.37 -2.89 115.31 115.25 3hov h LEU 331 Ca 0.00 -0.11 0.04 0.00 0.08 0.00 0.00 57.88 57.89 3hov h LEU 331 Cb 0.40 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 41.94 3hov h LEU 331 CO -0.06 0.56 -0.20 -0.78 -1.08 0.00 0.00 178.44 176.88 3hov h ASP 332 N 0.65 -0.60 -0.04 -0.43 3.58 -0.86 -2.84 116.42 115.87 3hov h ASP 332 Ca 0.17 0.10 -0.66 0.00 0.42 0.00 0.00 57.03 57.06 3hov h ASP 332 Cb 0.08 0.26 0.02 0.00 1.72 0.00 0.00 39.33 41.42 3hov h ASP 332 CO -0.02 -0.26 2.48 0.33 -2.88 0.00 0.00 179.24 178.89 3hov n PHE 333 N -5.33 2.43 -1.38 0.28 7.35 0.64 -0.68 117.46 120.76 3hov n PHE 333 Ca -0.04 -2.14 0.00 0.00 -0.76 0.00 0.00 57.45 54.51 3hov n PHE 333 Cb 0.25 -2.00 0.00 0.00 0.35 0.00 0.00 39.48 38.08 3hov n PHE 333 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 3hov n ILE 334 N 5.84 0.00 -2.47 -2.13 5.41 -1.07 -4.90 119.36 120.04 3hov n ILE 334 Ca 0.50 0.00 -0.39 0.00 1.00 0.00 0.00 62.75 63.86 3hov n ILE 334 Cb 0.40 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.31 3hov n ILE 334 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3hov s GLY 335 N 0.00 1.18 0.00 7.39 0.00 0.14 -4.70 107.32 111.33 3hov s GLY 335 Ca 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 44.72 42.32 3hov s GLY 335 CO 0.00 2.87 0.00 0.54 0.00 0.00 0.00 173.10 176.51 3hov n ARG 336 N 8.66 0.00 -2.22 2.90 1.74 -1.26 -5.06 116.66 121.43 3hov n ARG 336 Ca 0.40 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.38 3hov n ARG 336 Cb 0.48 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.94 3hov n ARG 336 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3hov n LYS 345 N 0.00 0.99 0.00 5.56 4.81 -1.26 -2.43 118.16 125.83 3hov n LYS 345 Ca 0.00 -1.45 0.00 0.00 -0.87 0.00 0.00 58.31 55.99 3hov n LYS 345 Cb 0.00 0.04 0.00 0.00 0.02 0.00 0.00 35.03 35.09 3hov n LYS 345 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3hov n GLU 346 N -1.29 0.00 0.09 1.64 1.02 -1.26 -4.19 120.64 116.65 3hov n GLU 346 Ca 0.03 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.05 3hov n GLU 346 Cb 0.27 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.63 3hov n GLU 346 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 3hov h LYS 347 N 0.00 -0.27 0.13 3.49 2.10 -2.04 -3.16 116.57 116.82 3hov h LYS 347 Ca 0.00 0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.66 3hov h LYS 347 Cb 0.00 0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 3hov h LYS 347 CO 0.00 -0.18 -0.06 0.07 -2.00 0.00 0.00 179.45 177.28 3hov h ARG 348 N -0.28 -0.17 -0.83 0.07 0.11 -1.97 -2.78 114.38 108.52 3hov h ARG 348 Ca 0.02 0.01 0.24 0.00 0.10 0.00 0.00 59.98 60.35 3hov h ARG 348 Cb 0.30 0.04 -0.03 0.00 1.11 0.00 0.00 29.97 31.38 3hov h ARG 348 CO -0.08 -0.06 0.83 0.82 0.10 0.00 0.00 179.97 181.58 3hov h ILE 349 N -0.24 0.23 0.00 0.08 2.04 -1.82 0.84 117.51 118.64 3hov h ILE 349 Ca -0.02 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 3hov h ILE 349 Cb 0.19 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3hov h ILE 349 CO 0.03 0.00 -0.32 -0.61 0.00 0.00 0.00 178.15 177.25 3hov h GLN 350 N 0.00 0.00 -0.98 2.37 5.75 -1.47 -3.30 115.11 117.48 3hov h GLN 350 Ca 0.39 0.00 0.33 0.00 -0.15 0.00 0.00 58.65 59.23 3hov h GLN 350 Cb 2.04 0.00 -0.16 0.00 1.07 0.00 0.00 27.48 30.43 3hov h GLN 350 CO -0.00 0.66 0.47 -0.92 -2.65 0.00 0.00 178.83 176.38 3hov h TYR 351 N -1.00 0.73 0.51 3.99 3.20 -0.61 0.88 116.97 124.67 3hov h TYR 351 Ca -0.07 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 3hov h TYR 351 Cb 0.78 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 3hov h TYR 351 CO 0.12 -0.29 -0.32 0.00 -1.64 0.00 0.00 178.16 176.03 3hov h ALA 352 N 1.90 -0.80 -0.64 1.82 0.00 -1.47 -2.42 119.26 117.66 3hov h ALA 352 Ca 0.73 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.55 3hov h ALA 352 Cb 1.73 0.40 -0.09 0.00 0.00 0.00 0.00 17.79 19.82 3hov h ALA 352 CO -0.69 -0.96 -0.55 0.87 0.00 0.00 0.00 179.25 177.92 3hov h LYS 353 N -0.79 -0.20 -0.21 0.00 1.57 -0.91 -1.28 116.57 114.75 3hov h LYS 353 Ca -0.06 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3hov h LYS 353 Cb 0.65 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.96 3hov h LYS 353 CO 0.05 -0.14 -0.31 -0.44 -0.57 0.00 0.00 179.45 178.04 3hov h ASP 354 N -0.21 -1.04 -0.84 0.86 3.32 -1.42 0.42 116.42 117.50 3hov h ASP 354 Ca 0.11 0.13 0.24 0.00 0.02 0.00 0.00 57.03 57.53 3hov h ASP 354 Cb 0.49 0.42 -0.03 0.00 0.22 0.00 0.00 39.33 40.43 3hov h ASP 354 CO -0.72 -0.23 0.74 0.40 -1.72 0.00 0.00 179.24 177.71 3hov h ILE 355 N -0.24 0.34 0.00 0.35 2.04 -0.92 0.65 117.51 119.73 3hov h ILE 355 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 3hov h ILE 355 Cb 0.34 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3hov h ILE 355 CO -0.32 0.00 -0.41 -0.07 0.00 0.00 0.00 178.15 177.35 3hov h LEU 356 N 0.00 0.00 0.00 1.44 3.38 0.22 0.17 115.31 120.53 3hov h LEU 356 Ca 0.40 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3hov h LEU 356 Cb 1.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.63 3hov h LEU 356 CO -0.00 0.01 -1.58 0.00 0.09 0.00 0.00 178.44 176.96 3hov n GLN 357 N -2.80 0.41 -0.09 1.13 6.02 0.18 -4.27 117.38 117.96 3hov n GLN 357 Ca 0.03 -0.12 -0.13 0.00 -0.01 0.00 0.00 57.00 56.77 3hov n GLN 357 Cb 0.52 -1.30 -0.08 0.00 1.02 0.00 0.00 30.24 30.40 3hov n GLN 357 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3hov n LYS 358 N -1.94 0.45 -0.10 -1.09 4.76 0.15 -3.89 118.16 116.50 3hov n LYS 358 Ca -0.02 0.11 -0.11 0.00 -2.87 0.00 0.00 58.31 55.41 3hov n LYS 358 Cb 0.33 -1.35 -0.15 0.00 -1.84 0.00 0.00 35.03 32.02 3hov n LYS 358 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3hov n GLU 359 N -3.06 0.68 -2.46 1.97 -0.58 -0.92 -4.54 120.64 111.74 3hov n GLU 359 Ca -0.32 0.02 -0.43 0.00 -0.42 0.00 0.00 57.16 56.01 3hov n GLU 359 Cb 0.84 -1.52 -0.02 0.00 -0.57 0.00 0.00 31.44 30.16 3hov n GLU 359 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3hov s PHE 360 N -2.50 2.82 -1.37 -0.32 5.36 0.00 -3.83 117.98 118.16 3hov s PHE 360 Ca -0.14 0.98 -0.10 0.00 -0.96 0.00 0.00 56.93 56.71 3hov s PHE 360 Cb 0.06 -3.72 0.01 0.00 -0.34 0.00 0.00 43.02 39.03 3hov s PHE 360 CO 0.79 -1.53 0.41 1.28 -1.46 0.00 0.00 175.22 174.71 3hov n LEU 361 N 7.16 -1.56 0.24 6.12 4.32 -1.26 -4.74 117.00 127.27 3hov n LEU 361 Ca 0.14 -1.15 0.17 0.00 -0.02 0.00 0.00 56.01 55.15 3hov n LEU 361 Cb 0.46 -1.95 0.75 0.00 -1.62 0.00 0.00 43.42 41.06 3hov n LEU 361 CO 0.60 0.53 1.14 1.55 -1.22 0.00 0.00 177.39 179.99 3hov h PRO 362 N -2.00 0.00 0.00 3.23 0.13 -1.80 -3.38 132.00 128.18 3hov h PRO 362 Ca -0.66 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.13 3hov h PRO 362 Cb 1.39 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.66 3hov h PRO 362 CO 0.60 0.00 0.31 -2.39 -0.23 0.00 0.00 178.00 176.29 3hov n HIS 363 N -3.15 -3.97 0.00 1.56 1.44 -1.26 -3.43 115.22 106.41 3hov n HIS 363 Ca 0.02 -0.93 0.00 0.00 -2.01 0.00 0.00 57.72 54.80 3hov n HIS 363 Cb 0.51 -0.84 0.00 0.00 0.12 0.00 0.00 29.99 29.79 3hov n HIS 363 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 3hov n ILE 364 N -3.58 0.00 0.00 0.61 5.41 -1.26 -4.72 119.36 115.81 3hov n ILE 364 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.88 3hov n ILE 364 Cb 0.46 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.39 3hov n ILE 364 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 3hov n THR 365 N 0.00 0.00 0.26 1.39 5.66 -1.22 -4.98 114.28 115.39 3hov n THR 365 Ca 0.00 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.07 3hov n THR 365 Cb 0.00 0.00 0.12 0.00 -1.55 0.00 0.00 70.33 68.90 3hov n THR 365 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hov n GLN 366 N -1.36 1.74 0.00 1.09 6.02 -1.25 -4.72 117.38 118.89 3hov n GLN 366 Ca 0.00 -1.70 0.00 0.00 -0.01 0.00 0.00 57.00 55.29 3hov n GLN 366 Cb 0.00 -1.30 0.00 0.00 1.02 0.00 0.00 30.24 29.96 3hov n GLN 366 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3hov n LEU 367 N 0.81 0.00 0.00 1.08 4.77 -1.26 -4.42 117.00 117.97 3hov n LEU 367 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3hov n LEU 367 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3hov n LEU 367 CO 0.09 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.36 3hov n GLU 368 N 0.00 0.00 -0.10 3.23 4.07 -1.26 -4.92 120.64 121.66 3hov n GLU 368 Ca 0.00 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.02 3hov n GLU 368 Cb 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.36 3hov n GLU 368 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hov n GLY 369 N -0.04 1.53 0.03 8.31 0.00 -1.26 -3.85 105.19 109.91 3hov n GLY 369 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3hov n GLY 369 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hov n PHE 370 N 5.60 0.00 -0.36 1.61 3.01 -1.26 -4.80 117.46 121.26 3hov n PHE 370 Ca 0.08 -0.14 0.37 0.00 1.01 0.00 0.00 57.45 58.77 3hov n PHE 370 Cb 0.07 -0.02 0.76 0.00 -0.01 0.00 0.00 39.48 40.28 3hov n PHE 370 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3hov h GLU 371 N 0.00 0.00 -0.04 -1.08 3.07 -1.88 0.91 114.58 115.57 3hov h GLU 371 Ca 0.00 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3hov h GLU 371 Cb 0.90 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.81 3hov h GLU 371 CO 0.00 0.00 0.02 1.03 -1.40 0.00 0.00 179.01 178.66 3hov h SER 372 N 0.00 0.05 -0.14 1.42 0.87 -1.87 -1.69 113.55 112.20 3hov h SER 372 Ca 0.60 -0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.98 3hov h SER 372 Cb 2.41 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 64.35 3hov h SER 372 CO -0.01 0.16 -0.12 0.03 -0.53 0.00 0.00 176.83 176.36 3hov h ARG 373 N -0.07 0.33 -0.53 2.24 3.08 0.49 -2.61 114.38 117.31 3hov h ARG 373 Ca 0.01 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 59.82 3hov h ARG 373 Cb 0.13 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3hov h ARG 373 CO -0.00 0.71 0.02 0.87 -1.07 0.00 0.00 179.97 180.49 3hov h LYS 374 N -0.05 0.88 0.00 0.04 1.57 -1.23 -2.52 116.57 115.27 3hov h LYS 374 Ca 0.02 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3hov h LYS 374 Cb 0.64 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3hov h LYS 374 CO 0.03 0.87 0.00 0.00 -0.57 0.00 0.00 179.45 179.78 3hov h ALA 375 N 1.19 1.00 0.00 3.86 0.00 -1.34 -1.33 119.26 122.65 3hov h ALA 375 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 3hov h ALA 375 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3hov h ALA 375 CO 0.02 0.00 -0.99 0.74 0.00 0.00 0.00 179.25 179.02 3hov h PHE 376 N 0.00 0.00 0.11 0.00 0.05 -1.10 -3.08 116.94 112.93 3hov h PHE 376 Ca 0.00 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.78 3hov h PHE 376 Cb 0.65 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.60 3hov h PHE 376 CO 0.00 0.68 -0.06 0.35 -0.18 0.00 0.00 178.31 179.10 3hov h PHE 377 N 0.00 -0.14 -0.96 -0.55 3.57 -1.19 -0.96 116.94 116.70 3hov h PHE 377 Ca -0.08 -0.00 0.28 0.00 3.53 0.00 0.00 57.97 61.70 3hov h PHE 377 Cb 1.58 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 40.33 3hov h PHE 377 CO 0.00 0.24 0.88 1.25 -2.23 0.00 0.00 178.31 178.44 3hov h LEU 378 N -0.97 0.00 0.05 0.59 5.85 -1.37 1.55 115.31 121.02 3hov h LEU 378 Ca -0.02 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 3hov h LEU 378 Cb 0.45 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.48 3hov h LEU 378 CO 0.03 0.00 -0.38 1.23 -0.34 0.00 0.00 178.44 178.98 3hov h GLY 379 N 0.00 0.13 0.55 3.75 0.00 -1.46 -2.73 103.07 103.31 3hov h GLY 379 Ca 0.46 -0.32 0.19 0.00 0.00 0.00 0.00 47.33 47.65 3hov h GLY 379 CO -0.00 0.28 0.53 -1.82 0.00 0.00 0.00 176.54 175.52 3hov h TYR 380 N -0.76 0.26 0.12 5.60 3.20 0.34 0.93 116.97 126.66 3hov h TYR 380 Ca -0.07 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 3hov h TYR 380 Cb 1.26 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.45 3hov h TYR 380 CO 0.24 0.08 -0.06 0.52 -1.64 0.00 0.00 178.16 177.30 3hov h MET 381 N 0.21 -0.16 -0.41 1.82 2.86 -0.57 -2.70 114.93 115.98 3hov h MET 381 Ca 0.38 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 58.15 3hov h MET 381 Cb 1.16 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.84 3hov h MET 381 CO -0.08 0.28 0.49 0.82 1.06 0.00 0.00 176.91 179.49 3hov h ILE 382 N -0.91 0.31 0.01 -1.22 2.04 -0.93 0.22 117.51 117.03 3hov h ILE 382 Ca -0.02 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 3hov h ILE 382 Cb 0.52 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 3hov h ILE 382 CO 0.03 0.00 -0.01 -1.13 0.00 0.00 0.00 178.15 177.04 3hov h ASN 383 N 0.00 -0.01 -0.98 1.72 -1.24 -0.88 -2.90 115.58 111.29 3hov h ASN 383 Ca 0.20 0.00 0.36 0.00 0.71 0.00 0.00 56.30 57.56 3hov h ASN 383 Cb 1.18 0.00 -0.18 0.00 0.73 0.00 0.00 38.32 40.05 3hov h ASN 383 CO -0.00 -0.00 0.32 0.54 -1.29 0.00 0.00 177.43 177.00 3hov n ARG 384 N -2.08 -0.07 -0.12 6.67 5.12 -0.34 0.93 116.66 126.77 3hov n ARG 384 Ca -0.00 1.41 -0.08 0.00 -1.93 0.00 0.00 57.85 57.24 3hov n ARG 384 Cb 0.01 -2.40 0.00 0.00 -1.16 0.00 0.00 32.46 28.90 3hov n ARG 384 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3hov h LEU 385 N 0.00 0.46 -0.50 0.55 5.85 -0.72 -3.07 115.31 117.88 3hov h LEU 385 Ca 0.74 -0.02 -0.17 0.00 0.84 0.00 0.00 57.88 59.27 3hov h LEU 385 Cb 1.81 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.72 3hov h LEU 385 CO -0.83 0.34 -0.66 -0.07 -0.34 0.00 0.00 178.44 176.89 3hov h LEU 386 N 0.53 0.45 -1.18 2.25 3.38 0.77 -2.28 115.31 119.24 3hov h LEU 386 Ca 0.14 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.89 3hov h LEU 386 Cb -0.05 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 3hov h LEU 386 CO -0.03 0.98 0.57 -0.07 0.09 0.00 0.00 178.44 179.98 3hov h LEU 387 N 0.28 0.89 -0.35 1.67 4.07 -1.23 -0.31 115.31 120.34 3hov h LEU 387 Ca -0.02 -0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.75 3hov h LEU 387 Cb 1.20 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 42.75 3hov h LEU 387 CO 0.11 0.59 -0.74 0.00 -1.08 0.00 0.00 178.44 177.32 3hov n ALA 389 N -2.53 2.01 -3.24 0.00 0.00 -0.43 -3.18 120.51 113.14 3hov n ALA 389 Ca -0.05 -0.09 -0.24 0.00 0.00 0.00 0.00 53.44 53.06 3hov n ALA 389 Cb 0.71 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.79 3hov n ALA 389 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hov n LEU 390 N -1.27 1.87 -0.61 0.00 4.77 -0.26 -5.02 117.00 116.48 3hov n LEU 390 Ca 0.09 -5.08 0.00 0.00 -0.03 0.00 0.00 56.01 50.99 3hov n LEU 390 Cb 0.15 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3hov n LEU 390 CO 0.14 2.13 0.00 0.47 -1.33 0.00 0.00 177.39 178.80 3hov n ASP 391 N 0.90 0.00 0.00 -1.43 9.92 -1.19 -4.55 116.55 120.20 3hov n ASP 391 Ca 0.25 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.51 3hov n ASP 391 Cb 0.49 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.97 3hov n ASP 391 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3hov n ARG 392 N -0.16 3.00 -4.86 -1.24 1.74 -0.39 -5.03 116.66 109.73 3hov n ARG 392 Ca 0.00 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.82 3hov n ARG 392 Cb 0.00 -0.99 -0.16 0.00 -1.02 0.00 0.00 32.46 30.29 3hov n ARG 392 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3hov s LYS 393 N -1.99 1.62 0.73 5.56 -0.14 -1.19 -4.98 119.74 119.35 3hov s LYS 393 Ca 0.00 -0.63 -0.11 0.00 -1.36 0.00 0.00 55.97 53.87 3hov s LYS 393 Cb 0.00 -1.48 0.03 0.00 -1.68 0.00 0.00 37.83 34.69 3hov s LYS 393 CO 0.00 0.32 1.07 -0.51 -0.76 0.00 0.00 175.35 175.48 3hov s ASP 394 N -0.21 5.01 0.97 2.83 1.01 -1.26 -4.29 116.67 120.72 3hov s ASP 394 Ca 0.02 1.71 -0.11 0.00 0.71 0.00 0.00 52.55 54.88 3hov s ASP 394 Cb -0.09 -2.51 0.18 0.00 1.01 0.00 0.00 42.92 41.51 3hov s ASP 394 CO 0.01 -1.70 1.12 -1.58 0.21 0.00 0.00 175.17 173.23 3hov s GLN 395 N -4.98 0.55 0.07 8.23 0.74 -1.26 -4.90 119.66 118.11 3hov s GLN 395 Ca 0.59 1.39 -0.30 0.00 0.05 0.00 0.00 55.36 57.09 3hov s GLN 395 Cb -0.15 -1.69 -0.05 0.00 1.10 0.00 0.00 33.01 32.22 3hov s GLN 395 CO 0.55 -2.90 1.05 -0.51 -0.55 0.00 0.00 175.29 172.93 3hov s ASP 396 N -2.63 7.32 -0.57 6.67 1.01 0.25 -4.97 116.67 123.74 3hov s ASP 396 Ca 0.67 1.85 -0.27 0.00 0.71 0.00 0.00 52.55 55.51 3hov s ASP 396 Cb -0.23 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.11 3hov s ASP 396 CO 0.60 -0.25 1.68 -0.62 0.21 0.00 0.00 175.17 176.78 3hov s ASP 397 N 0.58 5.67 0.00 0.27 -1.08 -1.26 -4.84 116.67 116.01 3hov s ASP 397 Ca 0.52 0.38 0.22 0.00 -0.52 0.00 0.00 52.55 53.15 3hov s ASP 397 Cb -0.25 -2.54 1.32 0.00 -1.46 0.00 0.00 42.92 40.00 3hov s ASP 397 CO 0.30 -2.06 1.72 -1.14 0.52 0.00 0.00 175.17 174.51 3hov n ARG 398 N 8.96 0.74 -1.79 4.34 0.63 -1.26 -3.06 116.66 125.22 3hov n ARG 398 Ca 0.17 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.95 3hov n ARG 398 Cb 0.50 -1.47 0.06 0.00 0.45 0.00 0.00 32.46 32.01 3hov n ARG 398 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3hov n ASP 399 N -0.97 3.89 -4.45 6.15 8.00 -1.26 -4.98 116.55 122.94 3hov n ASP 399 Ca 0.17 -3.59 -0.43 0.00 0.71 0.00 0.00 54.79 51.65 3hov n ASP 399 Cb 0.08 -0.39 -0.09 0.00 -0.02 0.00 0.00 41.12 40.70 3hov n ASP 399 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3hov s HIS 400 N -3.45 3.21 0.29 1.24 2.46 -1.17 -4.92 115.29 112.95 3hov s HIS 400 Ca 0.46 -0.61 -0.02 0.00 0.47 0.00 0.00 55.06 55.37 3hov s HIS 400 Cb 0.39 -2.86 0.65 0.00 -0.13 0.00 0.00 32.58 30.63 3hov s HIS 400 CO 0.01 -0.69 1.57 0.35 -2.47 0.00 0.00 174.74 173.51 3hov h PHE 401 N 8.71 -0.18 0.00 3.88 3.57 -1.93 0.10 116.94 131.09 3hov h PHE 401 Ca -0.27 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.30 3hov h PHE 401 Cb 1.11 0.24 0.00 0.00 2.79 0.00 0.00 35.95 40.09 3hov h PHE 401 CO 0.60 -0.42 0.34 0.41 -2.23 0.00 0.00 178.31 177.02 3hov n GLY 402 N -1.53 -0.40 0.48 2.40 0.00 -1.26 0.33 105.19 105.21 3hov n GLY 402 Ca 0.20 0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.32 3hov n GLY 402 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hov n LYS 403 N -1.65 2.85 -4.40 1.61 5.02 0.35 -4.58 118.16 117.35 3hov n LYS 403 Ca -0.00 -2.02 -0.30 0.00 -2.02 0.00 0.00 58.31 53.96 3hov n LYS 403 Cb 0.35 -1.27 -0.11 0.00 -0.02 0.00 0.00 35.03 33.98 3hov n LYS 403 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3hov s LYS 404 N -1.28 2.09 0.08 1.97 1.02 0.15 0.69 119.74 124.46 3hov s LYS 404 Ca 0.20 -1.01 0.09 0.00 0.02 0.00 0.00 55.97 55.27 3hov s LYS 404 Cb 0.12 -2.25 -0.03 0.00 -0.52 0.00 0.00 37.83 35.15 3hov s LYS 404 CO 0.10 0.52 -0.24 1.03 -0.92 0.00 0.00 175.35 175.85 3hov s ARG 405 N -1.86 1.47 -0.33 1.68 1.81 0.33 -4.69 118.95 117.36 3hov s ARG 405 Ca 0.18 -1.13 -0.05 0.00 -1.72 0.00 0.00 55.73 53.01 3hov s ARG 405 Cb -0.11 -1.73 0.05 0.00 -0.45 0.00 0.00 34.95 32.71 3hov s ARG 405 CO 0.10 0.43 0.09 -0.51 -0.68 0.00 0.00 175.30 174.72 3hov s LEU 406 N -1.54 4.27 -0.30 2.53 1.43 -0.67 -1.16 118.68 123.25 3hov s LEU 406 Ca 0.10 -1.22 -0.28 0.00 -1.03 0.00 0.00 54.13 51.71 3hov s LEU 406 Cb -0.10 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.30 3hov s LEU 406 CO 0.03 -0.32 1.01 -1.81 0.23 0.00 0.00 176.35 175.49 3hov s ASP 407 N 1.41 6.91 0.00 2.29 1.01 0.88 -4.62 116.67 124.55 3hov s ASP 407 Ca -0.02 1.04 0.00 0.00 0.71 0.00 0.00 52.55 54.28 3hov s ASP 407 Cb -0.20 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.22 3hov s ASP 407 CO 0.02 -0.78 0.00 0.18 0.21 0.00 0.00 175.17 174.79 3hov n LEU 408 N 6.62 0.00 -0.21 1.23 4.32 -1.26 -1.84 117.00 125.86 3hov n LEU 408 Ca 0.10 0.00 0.02 0.00 -0.02 0.00 0.00 56.01 56.11 3hov n LEU 408 Cb 0.47 0.00 0.12 0.00 -1.62 0.00 0.00 43.42 42.39 3hov n LEU 408 CO 0.56 0.00 0.91 0.00 -1.22 0.00 0.00 177.39 177.64 3hov h ALA 409 N -1.32 0.74 0.52 -1.18 0.00 -1.84 -2.84 119.26 113.35 3hov h ALA 409 Ca 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3hov h ALA 409 Cb 0.00 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.00 3hov h ALA 409 CO 0.00 -0.32 -0.25 0.78 0.00 0.00 0.00 179.25 179.46 3hov h GLY 410 N 0.24 -0.73 -0.35 0.00 0.00 -1.86 -2.35 103.07 98.03 3hov h GLY 410 Ca 0.33 0.27 0.22 0.00 0.00 0.00 0.00 47.33 48.16 3hov h GLY 410 CO -0.44 -0.27 0.26 -2.55 0.00 0.00 0.00 176.54 173.54 3hov h PRO 411 N -1.03 0.24 -0.15 4.80 0.11 -1.78 0.54 132.00 134.73 3hov h PRO 411 Ca -0.07 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 3hov h PRO 411 Cb 0.62 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 3hov h PRO 411 CO 0.12 0.16 0.04 -0.07 -0.21 0.00 0.00 178.00 178.04 3hov h LEU 412 N 0.25 0.22 -0.38 2.35 3.38 -1.53 -0.13 115.31 119.48 3hov h LEU 412 Ca 0.53 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.30 3hov h LEU 412 Cb 1.05 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 3hov h LEU 412 CO -0.61 0.38 0.23 -0.07 0.09 0.00 0.00 178.44 178.46 3hov h LEU 413 N 0.06 0.39 0.04 1.67 3.38 -0.42 -1.96 115.31 118.47 3hov h LEU 413 Ca 0.05 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3hov h LEU 413 Cb 0.24 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3hov h LEU 413 CO -0.00 0.28 -0.48 0.00 0.09 0.00 0.00 178.44 178.33 3hov h ALA 414 N 1.16 -0.93 -0.97 1.53 0.00 0.26 0.66 119.26 120.97 3hov h ALA 414 Ca 0.14 -0.09 0.24 0.00 0.00 0.00 0.00 54.91 55.21 3hov h ALA 414 Cb -0.02 0.89 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 3hov h ALA 414 CO -0.05 -1.06 0.65 0.37 0.00 0.00 0.00 179.25 179.15 3hov h GLN 415 N -0.64 0.34 0.14 0.00 4.15 -0.74 -1.42 115.11 116.95 3hov h GLN 415 Ca 0.00 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 3hov h GLN 415 Cb 0.67 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.28 3hov h GLN 415 CO -0.30 0.23 -0.07 1.25 -1.93 0.00 0.00 178.83 178.01 3hov h LEU 416 N 0.35 -0.16 -0.62 -2.39 6.46 -0.38 -3.04 115.31 115.53 3hov h LEU 416 Ca 0.52 -0.17 0.13 0.00 -0.12 0.00 0.00 57.88 58.24 3hov h LEU 416 Cb 1.40 0.04 -0.11 0.00 -0.73 0.00 0.00 40.66 41.26 3hov h LEU 416 CO -0.20 0.39 -0.11 0.15 -0.62 0.00 0.00 178.44 178.05 3hov h PHE 417 N -1.01 -0.24 0.30 1.25 3.57 0.62 -0.98 116.94 120.45 3hov h PHE 417 Ca -0.02 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3hov h PHE 417 Cb 0.32 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 3hov h PHE 417 CO 0.05 -0.24 -0.39 -0.22 -2.23 0.00 0.00 178.31 175.28 3hov h LYS 418 N 0.03 -0.71 0.00 1.11 3.64 -1.40 0.79 116.57 120.04 3hov h LYS 418 Ca 0.31 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3hov h LYS 418 Cb 0.48 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3hov h LYS 418 CO -0.61 -0.48 0.00 1.79 -2.27 0.00 0.00 179.45 177.89 3hov h THR 419 N -0.74 0.00 0.02 1.00 1.35 -1.28 -2.29 112.91 110.97 3hov h THR 419 Ca -0.01 -0.04 -0.18 0.00 -0.55 0.00 0.00 66.41 65.62 3hov h THR 419 Cb 0.69 1.00 -0.02 0.00 -1.73 0.00 0.00 68.15 68.09 3hov h THR 419 CO -0.12 0.00 -0.99 -0.07 -0.25 0.00 0.00 175.52 174.09 3hov h LEU 420 N 0.00 0.07 -2.47 3.87 3.38 0.20 -3.28 115.31 117.08 3hov h LEU 420 Ca 0.00 -0.69 0.02 0.00 0.09 0.00 0.00 57.88 57.30 3hov h LEU 420 Cb 0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3hov h LEU 420 CO 0.00 1.40 0.11 0.15 0.09 0.00 0.00 178.44 180.19 3hov h PHE 421 N -0.87 0.00 0.00 1.13 3.57 0.87 0.32 116.94 121.97 3hov h PHE 421 Ca -0.26 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.24 3hov h PHE 421 Cb 1.32 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.06 3hov h PHE 421 CO 0.15 0.00 -0.38 0.87 -2.23 0.00 0.00 178.31 176.72 3hov h LYS 422 N 0.00 0.00 0.00 1.11 1.57 -1.56 0.33 116.57 118.03 3hov h LYS 422 Ca 0.03 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.65 3hov h LYS 422 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3hov h LYS 422 CO -0.00 0.00 -0.75 -0.22 -0.57 0.00 0.00 179.45 177.91 3hov h LYS 423 N 0.00 0.00 0.00 3.15 3.64 -1.00 -2.43 116.57 119.92 3hov h LYS 423 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3hov h LYS 423 Cb 0.97 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3hov h LYS 423 CO 0.00 0.75 -0.10 1.25 -2.27 0.00 0.00 179.45 179.08 3hov h LEU 424 N 0.00 0.00 -0.63 5.20 5.85 -1.38 -3.26 115.31 121.09 3hov h LEU 424 Ca -0.01 -0.78 0.13 0.00 0.84 0.00 0.00 57.88 58.06 3hov h LEU 424 Cb 1.56 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.47 3hov h LEU 424 CO 0.10 0.95 -0.15 0.74 -0.34 0.00 0.00 178.44 179.73 3hov h THR 425 N -1.00 0.37 -1.17 1.05 2.02 -0.40 0.32 112.91 114.10 3hov h THR 425 Ca -0.03 -0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.58 3hov h THR 425 Cb 0.85 0.37 -0.22 0.00 -1.74 0.00 0.00 68.15 67.41 3hov h THR 425 CO -0.02 0.00 0.68 2.29 0.37 0.00 0.00 175.52 178.84 3hov n LYS 426 N -5.43 2.43 0.00 6.66 2.85 -0.92 -2.59 118.16 121.16 3hov n LYS 426 Ca 0.08 -2.69 0.00 0.00 -1.05 0.00 0.00 58.31 54.64 3hov n LYS 426 Cb 0.33 -2.10 0.00 0.00 -0.65 0.00 0.00 35.03 32.61 3hov n LYS 426 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 3hov n ASP 427 N 0.02 0.00 -0.05 -5.58 -0.08 0.61 -4.61 116.55 106.86 3hov n ASP 427 Ca 0.49 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.67 3hov n ASP 427 Cb 0.50 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.99 3hov n ASP 427 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 3hov h ILE 428 N 0.00 1.29 -0.39 5.18 2.04 -0.28 -2.60 117.51 122.74 3hov h ILE 428 Ca 0.00 -1.64 -0.04 0.00 1.00 0.00 0.00 64.86 64.18 3hov h ILE 428 Cb 0.00 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 3hov h ILE 428 CO 0.00 0.53 0.08 0.15 0.00 0.00 0.00 178.15 178.91 3hov h PHE 429 N 0.59 0.59 -0.25 1.37 3.57 -1.76 -2.97 116.94 118.08 3hov h PHE 429 Ca 0.04 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3hov h PHE 429 Cb 1.01 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 3hov h PHE 429 CO 0.05 0.52 0.08 0.00 -2.23 0.00 0.00 178.31 176.74 3hov h ARG 430 N 0.57 0.38 -0.88 1.11 3.08 -1.72 -1.06 114.38 115.87 3hov h ARG 430 Ca 0.13 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.11 3hov h ARG 430 Cb 0.24 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 3hov h ARG 430 CO -0.00 0.45 0.59 -0.92 -1.07 0.00 0.00 179.97 179.01 3hov h TYR 431 N 0.24 1.11 -0.51 3.04 3.20 -1.45 -2.36 116.97 120.24 3hov h TYR 431 Ca 0.08 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 3hov h TYR 431 Cb 0.22 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 3hov h TYR 431 CO 0.00 0.70 0.11 0.52 -1.64 0.00 0.00 178.16 177.85 3hov h MET 432 N 1.19 0.83 -1.63 1.82 2.86 -1.38 -3.04 114.93 115.59 3hov h MET 432 Ca 0.32 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3hov h MET 432 Cb -0.13 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.42 3hov h MET 432 CO -0.07 0.80 0.00 1.04 1.06 0.00 0.00 176.91 179.74 3hov n GLN 433 N -4.43 0.53 0.00 1.72 6.02 -0.41 -1.66 117.38 119.15 3hov n GLN 433 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3hov n GLN 433 Cb 0.24 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.26 3hov n GLN 433 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3hov n ARG 434 N 1.03 0.00 -1.31 -1.09 1.74 -1.17 -5.02 116.66 110.85 3hov n ARG 434 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 3hov n ARG 434 Cb 0.26 -0.32 -0.10 0.00 -1.02 0.00 0.00 32.46 31.29 3hov n ARG 434 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3hov n THR 435 N -0.70 0.00 0.94 0.55 -1.04 -0.66 -4.66 114.28 108.71 3hov n THR 435 Ca 0.00 -0.42 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 3hov n THR 435 Cb 0.00 -0.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.98 3hov n THR 435 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3hov n VAL 436 N 6.02 0.00 0.00 12.58 0.31 -1.26 -5.08 118.33 130.90 3hov n VAL 436 Ca 0.33 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.66 3hov n VAL 436 Cb 0.37 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 3hov n VAL 436 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hov n GLU 437 N 0.01 0.00 0.00 5.55 4.71 -1.26 -5.30 120.64 124.35 3hov n GLU 437 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3hov n GLU 437 Cb 0.19 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.62 3hov n GLU 437 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 3hov n LEU 446 N -0.39 0.00 0.00 -4.62 -0.00 -1.26 -5.27 117.00 105.46 3hov n LEU 446 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3hov n LEU 446 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3hov n LEU 446 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 3hov n ALA 447 N 0.00 0.00 -1.43 1.47 0.00 -1.26 -4.88 120.51 114.41 3hov n ALA 447 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3hov n ALA 447 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3hov n ALA 447 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3hov n ILE 448 N 0.00 0.00 -0.37 0.00 5.41 -1.26 -4.78 119.36 118.36 3hov n ILE 448 Ca 0.00 -0.09 -0.29 0.00 1.00 0.00 0.00 62.75 63.37 3hov n ILE 448 Cb 0.00 -1.64 -0.07 0.00 -0.71 0.00 0.00 39.64 37.22 3hov n ILE 448 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3hov n ASN 449 N 16.81 0.87 0.00 4.38 2.85 -1.26 -4.67 115.26 134.23 3hov n ASN 449 Ca 0.34 -2.33 0.00 0.00 -0.11 0.00 0.00 54.58 52.48 3hov n ASN 449 Cb 0.47 -0.55 0.00 0.00 1.24 0.00 0.00 39.78 40.94 3hov n ASN 449 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3hov n ALA 450 N 7.38 1.13 0.03 5.20 0.00 -1.26 -1.07 120.51 131.92 3hov n ALA 450 Ca 0.31 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.70 3hov n ALA 450 Cb 0.26 -0.75 -0.10 0.00 0.00 0.00 0.00 19.45 18.87 3hov n ALA 450 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3hov h LYS 451 N 0.00 0.00 -0.37 0.00 3.64 -1.95 -0.33 116.57 117.57 3hov h LYS 451 Ca 0.00 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3hov h LYS 451 Cb 0.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 3hov h LYS 451 CO 0.00 0.56 0.16 1.15 -2.27 0.00 0.00 179.45 179.05 3hov h THR 452 N 0.00 0.95 0.00 1.00 2.02 -1.51 -2.30 112.91 113.07 3hov h THR 452 Ca -0.15 -0.12 -0.15 0.00 0.77 0.00 0.00 66.41 66.76 3hov h THR 452 Cb 1.76 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.73 3hov h THR 452 CO 0.08 0.06 -0.73 0.40 0.37 0.00 0.00 175.52 175.70 3hov h ILE 453 N 0.34 1.45 0.10 3.11 2.04 -1.78 -1.85 117.51 120.91 3hov h ILE 453 Ca 0.16 -2.57 -0.00 0.00 1.00 0.00 0.00 64.86 63.44 3hov h ILE 453 Cb 0.09 2.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 3hov h ILE 453 CO -0.13 0.72 -0.05 0.74 0.00 0.00 0.00 178.15 179.43 3hov h THR 454 N 0.00 1.08 0.12 -0.27 2.02 -1.55 -3.10 112.91 111.20 3hov h THR 454 Ca -0.01 -0.70 -0.27 0.00 0.77 0.00 0.00 66.41 66.21 3hov h THR 454 Cb 1.36 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.29 3hov h THR 454 CO 0.10 0.17 -1.22 0.77 0.37 0.00 0.00 175.52 175.70 3hov h SER 455 N -0.46 0.40 -0.04 4.18 4.64 -1.53 -3.14 113.55 117.61 3hov h SER 455 Ca -0.01 -0.43 0.03 0.00 -0.47 0.00 0.00 61.79 60.91 3hov h SER 455 Cb 0.38 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 62.30 3hov h SER 455 CO 0.02 1.33 -0.19 1.23 -0.87 0.00 0.00 176.83 178.36 3hov h GLY 456 N 1.67 -0.23 0.27 -0.77 0.00 -1.44 0.46 103.07 103.03 3hov h GLY 456 Ca -0.13 0.23 0.12 0.00 0.00 0.00 0.00 47.33 47.55 3hov h GLY 456 CO 0.20 -0.17 0.29 1.41 0.00 0.00 0.00 176.54 178.26 3hov h LEU 457 N -0.29 0.29 0.62 3.11 3.38 -1.64 -2.63 115.31 118.16 3hov h LEU 457 Ca 0.07 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3hov h LEU 457 Cb 0.38 0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.20 3hov h LEU 457 CO -0.20 0.14 -0.30 0.11 0.09 0.00 0.00 178.44 178.28 3hov h LYS 458 N 0.46 -0.80 -0.57 1.13 1.57 -1.07 -2.70 116.57 114.59 3hov h LYS 458 Ca 0.37 0.05 0.09 0.00 -1.87 0.00 0.00 60.65 59.30 3hov h LYS 458 Cb 0.51 0.18 -0.10 0.00 0.08 0.00 0.00 32.23 32.91 3hov h LYS 458 CO -0.36 -0.53 -0.21 0.98 -0.57 0.00 0.00 179.45 178.76 3hov n TYR 459 N -4.43 0.05 0.00 -1.35 9.36 0.15 -0.04 117.16 120.90 3hov n TYR 459 Ca -0.10 0.70 0.00 0.00 3.32 0.00 0.00 57.90 61.82 3hov n TYR 459 Cb 0.33 -0.74 0.00 0.00 -0.63 0.00 0.00 39.34 38.30 3hov n TYR 459 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3hov n ALA 460 N -3.72 -0.43 0.00 2.98 0.00 -1.02 -1.18 120.51 117.14 3hov n ALA 460 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3hov n ALA 460 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 3hov n ALA 460 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hov n LEU 461 N -1.86 0.00 -0.09 0.00 4.32 -0.10 0.41 117.00 119.68 3hov n LEU 461 Ca 0.00 0.26 -0.15 0.00 -0.02 0.00 0.00 56.01 56.10 3hov n LEU 461 Cb 0.00 -0.26 -0.06 0.00 -1.62 0.00 0.00 43.42 41.48 3hov n LEU 461 CO 0.00 -0.26 -0.60 0.00 -1.22 0.00 0.00 177.39 175.31 3hov n ALA 462 N -1.24 0.73 -0.06 -1.18 0.00 0.94 -4.73 120.51 114.97 3hov n ALA 462 Ca 0.00 -0.59 -0.07 0.00 0.00 0.00 0.00 53.44 52.78 3hov n ALA 462 Cb 0.19 -0.17 -0.05 0.00 0.00 0.00 0.00 19.45 19.42 3hov n ALA 462 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3hov h THR 463 N -1.00 0.67 0.00 0.00 1.35 0.13 -3.49 112.91 110.57 3hov h THR 463 Ca -0.22 -1.55 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 3hov h THR 463 Cb 1.01 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 3hov h THR 463 CO -0.13 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 3hov n GLY 464 N 1.67 1.00 3.42 5.82 0.00 0.17 -4.78 105.19 112.49 3hov n GLY 464 Ca -0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.51 3hov n GLY 464 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hov s ASN 465 N -0.41 6.35 0.00 1.61 0.02 -1.26 -1.46 114.94 119.79 3hov s ASN 465 Ca 0.00 -1.55 0.00 0.00 -1.02 0.00 0.00 52.86 50.29 3hov s ASN 465 Cb 0.00 -2.36 0.00 0.00 0.02 0.00 0.00 41.25 38.91 3hov s ASN 465 CO 0.00 -1.17 0.62 1.87 0.02 0.00 0.00 177.10 178.44 3hov n TRP 466 N 6.71 0.00 -1.24 2.20 -0.00 -1.26 -4.33 117.44 119.51 3hov n TRP 466 Ca 0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.45 3hov n TRP 466 Cb 0.46 -0.12 -0.08 0.00 -0.00 0.00 0.00 31.31 31.56 3hov n TRP 466 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3hov n GLY 467 N -0.78 -0.21 4.72 5.87 0.00 -1.26 -4.78 105.19 108.75 3hov n GLY 467 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3hov n GLY 467 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hov n GLU 468 N 5.48 0.00 0.00 1.61 1.02 -1.26 -4.41 120.64 123.08 3hov n GLU 468 Ca 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 3hov n GLU 468 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.81 3hov n GLU 468 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3hov n GLN 469 N 4.44 0.00 0.00 3.49 7.27 -1.26 -4.93 117.38 126.39 3hov n GLN 469 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3hov n GLN 469 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 3hov n GLN 469 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 3hov n LYS 470 N 0.00 0.00 -0.15 3.69 5.02 -1.26 -4.40 118.16 121.06 3hov n LYS 470 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3hov n LYS 470 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3hov n LYS 470 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hov n ALA 472 N 0.05 -0.22 1.47 7.82 0.00 -1.26 -5.04 120.51 123.33 3hov n ALA 472 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 3hov n ALA 472 Cb 0.00 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.03 3hov n ALA 472 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hov n MET 473 N -0.07 1.00 0.00 0.00 0.00 -1.26 -3.90 117.12 112.88 3hov n MET 473 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 57.70 57.26 3hov n MET 473 Cb 0.03 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 31.75 3hov n MET 473 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 3hov n SER 474 N -0.61 0.00 -3.65 3.17 3.41 -1.26 -4.60 113.62 110.08 3hov n SER 474 Ca 0.16 0.22 -0.30 0.00 -0.26 0.00 0.00 58.87 58.69 3hov n SER 474 Cb 0.29 -0.22 0.25 0.00 -0.26 0.00 0.00 64.21 64.27 3hov n SER 474 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3hov s SER 475 N -2.37 0.77 -0.73 4.04 1.04 -1.25 -4.95 113.70 110.25 3hov s SER 475 Ca 0.00 0.47 0.04 0.00 0.48 0.00 0.00 55.95 56.94 3hov s SER 475 Cb 0.00 -0.59 0.18 0.00 0.10 0.00 0.00 66.02 65.70 3hov s SER 475 CO 0.00 -4.20 0.54 0.00 0.98 0.00 0.00 173.24 170.56 3hov s ARG 476 N -5.56 2.60 0.34 4.02 1.70 -1.26 -4.90 118.95 115.89 3hov s ARG 476 Ca 0.73 -3.29 -0.28 0.00 -0.47 0.00 0.00 55.73 52.41 3hov s ARG 476 Cb -0.07 -3.52 -0.12 0.00 -0.57 0.00 0.00 34.95 30.67 3hov s ARG 476 CO 0.55 -1.27 1.33 0.00 -1.08 0.00 0.00 175.30 174.84 3hov n ALA 477 N 2.11 1.51 0.00 7.88 0.00 -1.24 -4.15 120.51 126.62 3hov n ALA 477 Ca 0.19 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3hov n ALA 477 Cb 0.35 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.51 3hov n ALA 477 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hov n GLY 478 N 0.78 2.06 3.74 0.00 0.00 -0.54 -4.91 105.19 106.31 3hov n GLY 478 Ca 0.04 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 3hov n GLY 478 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hov s VAL 479 N 0.00 2.05 -0.15 1.61 -7.23 -1.23 -4.37 120.40 111.08 3hov s VAL 479 Ca 0.00 0.04 -0.01 0.00 -1.81 0.00 0.00 61.98 60.20 3hov s VAL 479 Cb 0.00 -3.02 0.00 0.00 0.56 0.00 0.00 36.38 33.92 3hov s VAL 479 CO 0.00 -0.00 0.04 -0.24 -0.31 0.00 0.00 175.10 174.59 3hov n SER 480 N -1.29 -4.80 -4.84 4.85 2.88 -1.10 -4.17 113.62 105.16 3hov n SER 480 Ca 0.12 0.61 -0.31 0.00 -1.33 0.00 0.00 58.87 57.96 3hov n SER 480 Cb 0.46 -3.02 -0.04 0.00 -0.75 0.00 0.00 64.21 60.85 3hov n SER 480 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3hov s GLN 481 N -0.90 2.23 -0.25 -1.46 -0.21 -0.47 -4.41 119.66 114.19 3hov s GLN 481 Ca 0.02 -2.27 -0.19 0.00 0.02 0.00 0.00 55.36 52.94 3hov s GLN 481 Cb -0.00 -1.77 -0.02 0.00 1.00 0.00 0.00 33.01 32.21 3hov s GLN 481 CO 0.36 -0.51 0.56 0.08 -2.12 0.00 0.00 175.29 173.66 3hov s VAL 482 N -2.85 5.04 -0.11 1.09 1.01 -1.26 -0.29 120.40 123.02 3hov s VAL 482 Ca 0.16 1.00 -0.39 0.00 0.00 0.00 0.00 61.98 62.75 3hov s VAL 482 Cb -0.01 -3.87 -0.16 0.00 0.00 0.00 0.00 36.38 32.34 3hov s VAL 482 CO 0.10 0.08 1.56 -0.11 0.00 0.00 0.00 175.10 176.73 3hov n LEU 483 N 5.47 2.06 -4.70 3.92 7.94 0.01 -4.88 117.00 126.81 3hov n LEU 483 Ca -0.03 1.09 -0.42 0.00 -1.11 0.00 0.00 56.01 55.55 3hov n LEU 483 Cb 0.50 -1.16 -0.03 0.00 0.53 0.00 0.00 43.42 43.25 3hov n LEU 483 CO 0.42 -0.71 1.21 0.20 -1.11 0.00 0.00 177.39 177.39 3hov s ASN 484 N 2.17 6.68 -0.27 1.96 -0.87 -1.26 -4.91 114.94 118.44 3hov s ASN 484 Ca 0.92 2.44 0.09 0.00 -1.57 0.00 0.00 52.86 54.74 3hov s ASN 484 Cb -1.02 -2.58 0.46 0.00 -0.02 0.00 0.00 41.25 38.10 3hov s ASN 484 CO 0.57 -0.79 1.19 0.54 -2.57 0.00 0.00 177.10 176.04 3hov n ARG 485 N 4.68 3.12 0.14 -0.60 3.00 -1.26 -3.90 116.66 121.84 3hov n ARG 485 Ca 0.14 -3.96 -0.06 0.00 -0.01 0.00 0.00 57.85 53.95 3hov n ARG 485 Cb 0.41 -2.09 -0.03 0.00 0.00 0.00 0.00 32.46 30.74 3hov n ARG 485 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 3hov h TYR 486 N 2.06 -0.38 -3.84 -1.55 0.99 -1.91 -3.44 116.97 108.90 3hov h TYR 486 Ca 0.26 -0.01 -0.23 0.00 2.00 0.00 0.00 58.73 60.76 3hov h TYR 486 Cb 1.45 0.13 -0.15 0.00 1.00 0.00 0.00 36.73 39.16 3hov h TYR 486 CO 0.79 -0.24 -0.69 0.99 -0.00 0.00 0.00 178.16 179.01 3hov s THR 487 N -2.91 0.66 0.09 -2.88 2.01 -1.26 -4.34 115.64 107.02 3hov s THR 487 Ca -0.06 -1.94 -0.34 0.00 0.31 0.00 0.00 61.69 59.66 3hov s THR 487 Cb 0.01 -1.73 -0.15 0.00 0.01 0.00 0.00 72.50 70.64 3hov s THR 487 CO 0.18 -0.83 1.58 0.22 -0.69 0.00 0.00 174.62 175.08 3hov h TYR 488 N 2.94 -1.31 -0.53 4.92 3.20 -1.78 -1.17 116.97 123.23 3hov h TYR 488 Ca -0.35 0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.64 3hov h TYR 488 Cb 1.17 0.52 -0.03 0.00 1.54 0.00 0.00 36.73 39.93 3hov h TYR 488 CO 0.58 -0.61 0.37 0.66 -1.64 0.00 0.00 178.16 177.52 3hov h SER 489 N -0.87 0.22 -0.73 -2.11 4.64 -1.88 0.14 113.55 112.96 3hov h SER 489 Ca -0.03 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3hov h SER 489 Cb 0.79 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.81 3hov h SER 489 CO -0.13 0.13 0.46 -1.28 -0.87 0.00 0.00 176.83 175.15 3hov h SER 490 N 0.25 0.86 0.16 4.97 0.87 -1.56 -0.52 113.55 118.58 3hov h SER 490 Ca 0.25 -0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.64 3hov h SER 490 Cb 0.66 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 3hov h SER 490 CO -0.05 0.65 -0.44 0.74 -0.53 0.00 0.00 176.83 177.20 3hov h THR 491 N 1.00 1.32 0.57 2.23 2.02 0.31 -2.72 112.91 117.63 3hov h THR 491 Ca 0.27 -1.61 -0.03 0.00 0.77 0.00 0.00 66.41 65.81 3hov h THR 491 Cb -0.07 1.69 0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3hov h THR 491 CO -0.05 0.49 -0.27 -0.07 0.37 0.00 0.00 175.52 175.98 3hov h LEU 492 N 0.28 -0.65 -1.52 2.58 3.38 -0.82 -3.02 115.31 115.54 3hov h LEU 492 Ca 0.02 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.13 3hov h LEU 492 Cb 0.89 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 3hov h LEU 492 CO 0.07 -0.37 0.66 -1.28 0.09 0.00 0.00 178.44 177.61 3hov h SER 493 N -0.94 0.00 0.94 -0.43 0.87 -1.11 0.33 113.55 113.22 3hov h SER 493 Ca -0.08 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.26 3hov h SER 493 Cb 0.58 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 3hov h SER 493 CO 0.13 0.00 -1.04 -0.74 -0.53 0.00 0.00 176.83 174.65 3hov h HIS 494 N 0.00 0.07 0.00 2.24 -0.00 -1.38 -3.26 115.15 112.82 3hov h HIS 494 Ca 0.19 -0.05 -0.15 0.00 -0.00 0.00 0.00 60.37 60.35 3hov h HIS 494 Cb 1.50 -0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.89 3hov h HIS 494 CO 0.00 1.04 -0.71 -0.07 -0.00 0.00 0.00 177.93 178.19 3hov h LEU 495 N 0.01 0.00 -5.30 0.26 3.38 -0.22 -3.23 115.31 110.21 3hov h LEU 495 Ca -0.03 0.00 -0.78 0.00 0.09 0.00 0.00 57.88 57.16 3hov h LEU 495 Cb 1.80 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 42.28 3hov h LEU 495 CO 0.14 0.71 1.06 0.54 0.09 0.00 0.00 178.44 180.98 3hov n ARG 496 N -3.62 3.40 -4.62 1.13 1.74 -1.07 -4.89 116.66 108.73 3hov n ARG 496 Ca -0.01 -3.79 -0.30 0.00 -0.77 0.00 0.00 57.85 52.99 3hov n ARG 496 Cb 0.71 -2.32 -0.14 0.00 -1.02 0.00 0.00 32.46 29.70 3hov n ARG 496 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3hov s ARG 497 N -4.12 1.66 0.04 5.56 3.52 -1.22 -2.44 118.95 121.95 3hov s ARG 497 Ca 0.49 -1.21 0.08 0.00 -0.13 0.00 0.00 55.73 54.96 3hov s ARG 497 Cb 0.38 -1.98 -0.03 0.00 -1.56 0.00 0.00 34.95 31.77 3hov s ARG 497 CO -0.35 0.49 -0.23 0.99 -0.81 0.00 0.00 175.30 175.39 3hov s THR 498 N -0.95 1.85 0.21 4.11 2.01 0.40 -2.61 115.64 120.65 3hov s THR 498 Ca 0.13 -1.27 0.10 0.00 0.31 0.00 0.00 61.69 60.96 3hov s THR 498 Cb -0.10 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 3hov s THR 498 CO 0.05 0.27 -0.10 0.21 -0.69 0.00 0.00 174.62 174.35 3hov s ASN 499 N -1.20 4.17 -0.43 3.53 2.47 -0.07 -1.91 114.94 121.49 3hov s ASN 499 Ca 0.09 -0.66 0.06 0.00 0.42 0.00 0.00 52.86 52.77 3hov s ASN 499 Cb -0.09 -0.66 0.21 0.00 -1.45 0.00 0.00 41.25 39.25 3hov s ASN 499 CO 0.02 0.08 0.54 0.41 -3.72 0.00 0.00 177.10 174.43 3hov n THR 500 N -0.16 -0.69 -1.20 -5.21 -1.04 -1.05 -1.51 114.28 103.41 3hov n THR 500 Ca -0.10 -2.90 -0.38 0.00 -2.04 0.00 0.00 64.05 58.64 3hov n THR 500 Cb 0.56 -0.84 0.01 0.00 -1.82 0.00 0.00 70.33 68.24 3hov n THR 500 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3hov n PRO 501 N 2.29 0.00 0.00 -2.82 -0.04 -1.26 -4.96 135.00 128.21 3hov n PRO 501 Ca 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 3hov n PRO 501 Cb 0.53 -0.96 0.00 0.00 -0.04 0.00 0.00 33.50 33.03 3hov n PRO 501 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3hov n ILE 502 N -1.36 0.00 -1.51 0.52 -6.64 -1.26 -5.09 119.36 104.03 3hov n ILE 502 Ca 0.08 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.06 3hov n ILE 502 Cb 0.44 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.64 3hov n ILE 502 CO 0.00 0.00 0.00 -0.11 -1.77 0.00 0.00 176.55 174.67 3hov n LEU 508 N 0.00 -0.07 0.00 7.28 7.94 -1.26 -5.32 117.00 125.57 3hov n LEU 508 Ca 0.00 1.03 0.00 0.00 -1.11 0.00 0.00 56.01 55.93 3hov n LEU 508 Cb 0.00 -1.52 0.00 0.00 0.53 0.00 0.00 43.42 42.43 3hov n LEU 508 CO 0.00 -0.51 0.00 0.00 -1.11 0.00 0.00 177.39 175.77 3hov n ALA 509 N 1.50 0.00 -0.24 1.96 0.00 -1.26 -4.86 120.51 117.61 3hov n ALA 509 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3hov n ALA 509 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3hov n ALA 509 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3hov n LYS 510 N 0.00 -0.25 0.24 0.00 2.85 -1.26 -3.24 118.16 116.50 3hov n LYS 510 Ca 0.00 1.25 -0.16 0.00 -1.05 0.00 0.00 58.31 58.35 3hov n LYS 510 Cb 0.00 -1.84 -0.08 0.00 -0.65 0.00 0.00 35.03 32.46 3hov n LYS 510 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 3hov h PRO 511 N 0.00 -0.53 -1.19 -1.58 0.11 -1.97 -3.13 132.00 123.70 3hov h PRO 511 Ca 0.09 0.04 0.34 0.00 0.11 0.00 0.00 66.00 66.58 3hov h PRO 511 Cb 0.23 0.12 -0.07 0.00 0.11 0.00 0.00 31.00 31.40 3hov h PRO 511 CO -0.53 -0.36 0.83 0.00 -0.21 0.00 0.00 178.00 177.73 3hov h ARG 512 N -0.55 0.10 -7.36 1.05 3.08 -1.77 -3.44 114.38 105.49 3hov h ARG 512 Ca -0.05 -0.01 -0.51 0.00 0.07 0.00 0.00 59.98 59.49 3hov h ARG 512 Cb 0.43 -0.02 0.10 0.00 0.08 0.00 0.00 29.97 30.56 3hov h ARG 512 CO 0.08 0.07 0.35 -0.65 -1.07 0.00 0.00 179.97 178.75 3hov s GLN 513 N -5.10 2.62 -0.47 0.04 -0.21 -1.19 -4.30 119.66 111.06 3hov s GLN 513 Ca -0.06 0.88 -0.24 0.00 0.02 0.00 0.00 55.36 55.96 3hov s GLN 513 Cb 0.24 -1.96 0.03 0.00 1.00 0.00 0.00 33.01 32.32 3hov s GLN 513 CO 0.81 -1.31 0.88 -1.17 -2.12 0.00 0.00 175.29 172.38 3hov s LEU 514 N -5.65 4.11 0.85 2.90 2.96 -1.26 -5.04 118.68 117.54 3hov s LEU 514 Ca 0.59 -0.03 -0.12 0.00 -0.22 0.00 0.00 54.13 54.35 3hov s LEU 514 Cb -0.14 -3.06 0.10 0.00 0.50 0.00 0.00 46.19 43.58 3hov s LEU 514 CO 0.55 -1.03 1.16 -2.28 -1.32 0.00 0.00 176.35 173.43 3hov s HIS 515 N 3.61 2.78 -0.08 5.38 5.65 -1.26 -4.99 115.29 126.38 3hov s HIS 515 Ca 0.34 0.82 -0.26 0.00 0.25 0.00 0.00 55.06 56.20 3hov s HIS 515 Cb -0.11 -3.43 -0.22 0.00 -1.18 0.00 0.00 32.58 27.65 3hov s HIS 515 CO 0.24 -2.00 0.94 -0.91 -0.65 0.00 0.00 174.74 172.36 3hov h ASN 516 N -1.23 -0.02 0.00 9.88 -0.26 -1.96 -3.02 115.58 118.97 3hov h ASN 516 Ca -0.48 -0.70 0.00 0.00 -0.56 0.00 0.00 56.30 54.56 3hov h ASN 516 Cb 1.33 0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.59 3hov h ASN 516 CO 0.64 0.72 0.43 0.71 -1.06 0.00 0.00 177.43 178.87 3hov h THR 517 N -0.80 0.00 0.00 2.81 1.35 -1.94 0.37 112.91 114.70 3hov h THR 517 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3hov h THR 517 Cb 0.72 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 3hov h THR 517 CO 0.00 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.68 3hov n HIS 518 N -2.73 0.79 -1.68 4.73 8.25 -1.14 -4.73 115.22 118.70 3hov n HIS 518 Ca -0.02 0.32 -0.45 0.00 -0.26 0.00 0.00 57.72 57.32 3hov n HIS 518 Cb 0.47 -1.02 -0.03 0.00 1.12 0.00 0.00 29.99 30.53 3hov n HIS 518 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 3hov n TRP 519 N -2.23 2.32 0.00 4.41 -0.00 0.13 -2.32 117.44 119.75 3hov n TRP 519 Ca 0.02 0.32 0.00 0.00 -0.00 0.00 0.00 57.50 57.84 3hov n TRP 519 Cb 0.20 -2.52 0.00 0.00 -0.00 0.00 0.00 31.31 28.99 3hov n TRP 519 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3hov n GLY 520 N 2.79 1.97 0.23 5.87 0.00 -1.26 -4.73 105.19 110.06 3hov n GLY 520 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 3hov n GLY 520 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hov n LEU 521 N 0.00 1.76 -4.57 0.99 4.77 -1.01 -4.44 117.00 114.50 3hov n LEU 521 Ca 0.00 0.30 -0.29 0.00 -0.03 0.00 0.00 56.01 55.99 3hov n LEU 521 Cb 0.00 -0.72 -0.10 0.00 -2.33 0.00 0.00 43.42 40.27 3hov n LEU 521 CO 0.00 0.37 -0.42 -0.69 -1.33 0.00 0.00 177.39 175.31 3hov s VAL 522 N -2.51 3.31 0.19 4.08 1.01 -0.98 0.40 120.40 125.90 3hov s VAL 522 Ca -0.33 -1.34 -0.30 0.00 0.00 0.00 0.00 61.98 60.01 3hov s VAL 522 Cb 0.12 -2.56 -0.08 0.00 0.00 0.00 0.00 36.38 33.86 3hov s VAL 522 CO 0.42 0.08 1.17 0.00 0.00 0.00 0.00 175.10 176.77 3hov h PRO 524 N 5.07 0.73 0.14 0.00 0.13 -1.90 -3.37 132.00 132.79 3hov h PRO 524 Ca -0.45 -0.50 -0.32 0.00 -0.87 0.00 0.00 66.00 63.86 3hov h PRO 524 Cb 1.21 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 3hov h PRO 524 CO 0.73 1.12 -1.63 0.00 -0.23 0.00 0.00 178.00 177.99 3hov h ALA 525 N 0.61 0.25 -1.16 -0.56 0.00 -1.94 -3.45 119.26 113.01 3hov h ALA 525 Ca -0.00 -1.14 -0.56 0.00 0.00 0.00 0.00 54.91 53.21 3hov h ALA 525 Cb 1.13 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 19.19 3hov h ALA 525 CO 0.11 1.11 1.33 -2.00 0.00 0.00 0.00 179.25 179.81 3hov s GLU 526 N -2.60 3.39 -0.01 0.00 2.12 -1.26 -4.05 118.70 116.29 3hov s GLU 526 Ca -0.12 -0.79 -0.17 0.00 0.36 0.00 0.00 54.97 54.26 3hov s GLU 526 Cb 0.06 -5.00 0.03 0.00 0.26 0.00 0.00 34.13 29.48 3hov s GLU 526 CO 0.85 -2.28 0.36 -0.08 -0.54 0.00 0.00 175.26 173.57 3hov s THR 527 N 5.62 0.05 0.65 -1.70 -1.32 -1.26 -4.15 115.64 113.52 3hov s THR 527 Ca 0.45 -0.44 -0.16 0.00 -1.21 0.00 0.00 61.69 60.34 3hov s THR 527 Cb -0.03 -0.72 -0.01 0.00 -1.51 0.00 0.00 72.50 70.23 3hov s THR 527 CO -0.02 -0.24 1.12 -2.16 -2.21 0.00 0.00 174.62 171.11 3hov s PRO 528 N -1.53 2.82 0.43 7.08 0.04 -1.26 -4.89 135.00 137.68 3hov s PRO 528 Ca -0.12 1.47 -0.03 0.00 0.04 0.00 0.00 61.00 62.35 3hov s PRO 528 Cb -0.04 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 3hov s PRO 528 CO 0.04 -1.25 0.70 -1.21 0.04 0.00 0.00 177.00 175.32 3hov s GLU 529 N -3.94 3.53 1.63 4.56 2.02 -1.26 -4.13 118.70 121.11 3hov s GLU 529 Ca 0.69 0.02 0.00 0.00 0.02 0.00 0.00 54.97 55.70 3hov s GLU 529 Cb -0.22 -2.48 0.00 0.00 0.10 0.00 0.00 34.13 31.53 3hov s GLU 529 CO 0.40 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 176.02 3hov n GLY 530 N -2.04 -0.72 0.16 -1.39 0.00 -1.26 -4.61 105.19 95.34 3hov n GLY 530 Ca -0.01 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.21 3hov n GLY 530 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hov n GLN 531 N -1.59 0.00 -1.68 1.61 0.00 -1.26 -0.51 117.38 113.95 3hov n GLN 531 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.00 56.62 3hov n GLN 531 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.22 3hov n GLN 531 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3hov n ALA 532 N 0.16 7.08 -2.66 2.61 0.00 -1.26 -4.93 120.51 121.50 3hov n ALA 532 Ca 0.00 -3.75 -0.41 0.00 0.00 0.00 0.00 53.44 49.27 3hov n ALA 532 Cb 0.00 -2.96 -0.04 0.00 0.00 0.00 0.00 19.45 16.45 3hov n ALA 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hov n GLY 534 N 3.56 1.40 0.09 0.00 0.00 -1.26 -4.65 105.19 104.33 3hov n GLY 534 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 3hov n GLY 534 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hov h LEU 535 N 0.00 0.00 -8.62 0.99 3.38 -1.81 -3.41 115.31 105.84 3hov h LEU 535 Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 3hov h LEU 535 Cb 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.53 3hov h LEU 535 CO 0.00 0.83 -0.57 -0.69 0.09 0.00 0.00 178.44 178.10 3hov s VAL 536 N -2.73 4.63 0.33 1.22 1.01 -1.24 -2.54 120.40 121.08 3hov s VAL 536 Ca -0.04 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.73 3hov s VAL 536 Cb 0.08 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 3hov s VAL 536 CO 0.82 0.15 0.17 -0.54 0.00 0.00 0.00 175.10 175.70 3hov s LYS 537 N 1.63 2.49 -0.09 2.72 1.02 -0.80 -4.49 119.74 122.22 3hov s LYS 537 Ca 0.05 -1.44 0.01 0.00 0.02 0.00 0.00 55.97 54.61 3hov s LYS 537 Cb -0.16 -2.28 0.02 0.00 -0.52 0.00 0.00 37.83 34.89 3hov s LYS 537 CO 0.06 0.14 -0.09 -0.80 -0.92 0.00 0.00 175.35 173.74 3hov s ASN 538 N -3.87 2.00 0.37 2.83 0.01 -1.26 -0.45 114.94 114.57 3hov s ASN 538 Ca 0.38 -0.30 -0.28 0.00 -0.71 0.00 0.00 52.86 51.95 3hov s ASN 538 Cb -0.04 -0.83 -0.11 0.00 0.41 0.00 0.00 41.25 40.68 3hov s ASN 538 CO 0.24 -0.06 1.50 0.18 -1.51 0.00 0.00 177.10 177.44 3hov n LEU 539 N 4.51 4.73 -4.73 0.60 4.77 -1.02 -0.14 117.00 125.71 3hov n LEU 539 Ca -0.17 1.22 -0.31 0.00 -0.03 0.00 0.00 56.01 56.72 3hov n LEU 539 Cb 0.51 -1.62 0.12 0.00 -2.33 0.00 0.00 43.42 40.10 3hov n LEU 539 CO 0.20 0.15 0.69 -0.44 -1.33 0.00 0.00 177.39 176.66 3hov s SER 540 N -0.06 3.91 0.10 -1.43 0.01 0.16 -4.50 113.70 111.90 3hov s SER 540 Ca 0.54 1.85 -0.34 0.00 1.31 0.00 0.00 55.95 59.31 3hov s SER 540 Cb -0.48 -2.47 -0.14 0.00 0.21 0.00 0.00 66.02 63.14 3hov s SER 540 CO 0.62 -2.42 1.57 -0.07 0.41 0.00 0.00 173.24 173.35 3hov h LEU 541 N -1.39 -1.44 -1.66 2.44 3.38 -1.35 -3.08 115.31 112.20 3hov h LEU 541 Ca -0.45 0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 3hov h LEU 541 Cb 1.25 0.52 -0.01 0.00 0.09 0.00 0.00 40.66 42.52 3hov h LEU 541 CO 0.50 -0.56 -0.19 0.24 0.09 0.00 0.00 178.44 178.51 3hov h MET 542 N -0.78 0.00 -7.12 1.13 2.86 -1.86 -3.46 114.93 105.69 3hov h MET 542 Ca -0.01 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.08 3hov h MET 542 Cb 0.76 0.00 0.17 0.00 0.06 0.00 0.00 31.60 32.59 3hov h MET 542 CO -0.23 0.19 0.43 -1.13 1.06 0.00 0.00 176.91 177.24 3hov n SER 543 N -4.16 1.68 -2.98 1.22 3.41 -1.17 -4.60 113.62 107.02 3hov n SER 543 Ca -0.02 0.75 -0.17 0.00 -0.26 0.00 0.00 58.87 59.17 3hov n SER 543 Cb 0.26 -1.53 -0.06 0.00 -0.26 0.00 0.00 64.21 62.61 3hov n SER 543 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hov s ILE 545 N -3.14 0.67 0.06 0.00 1.01 -1.26 -1.86 121.20 116.67 3hov s ILE 545 Ca 0.34 -0.39 -0.32 0.00 0.00 0.00 0.00 60.65 60.28 3hov s ILE 545 Cb 0.01 -0.57 -0.11 0.00 0.01 0.00 0.00 42.46 41.81 3hov s ILE 545 CO 0.24 0.17 1.86 -1.54 0.00 0.00 0.00 174.94 175.67 3hov n SER 546 N 2.81 3.89 0.08 3.58 3.41 -0.67 -4.84 113.62 121.87 3hov n SER 546 Ca -0.14 0.97 -0.05 0.00 -0.26 0.00 0.00 58.87 59.40 3hov n SER 546 Cb 0.57 -1.50 -0.05 0.00 -0.26 0.00 0.00 64.21 62.98 3hov n SER 546 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3hov h VAL 547 N 4.98 1.57 0.00 -3.33 3.04 -1.92 0.27 116.25 120.86 3hov h VAL 547 Ca -0.48 -3.05 0.00 0.00 -1.01 0.00 0.00 66.70 62.17 3hov h VAL 547 Cb 1.24 2.67 0.00 0.00 -2.01 0.00 0.00 31.29 33.19 3hov h VAL 547 CO 0.94 0.85 0.00 0.61 -1.01 0.00 0.00 177.57 178.97 3hov n GLY 548 N 1.13 2.42 0.55 3.17 0.00 -1.26 -4.69 105.19 106.52 3hov n GLY 548 Ca 0.00 -1.09 -0.04 0.00 0.00 0.00 0.00 46.02 44.89 3hov n GLY 548 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hov n THR 549 N 1.18 0.00 -4.35 2.61 -1.04 -0.71 -4.96 114.28 107.01 3hov n THR 549 Ca 0.00 -0.32 -0.34 0.00 -2.04 0.00 0.00 64.05 61.34 3hov n THR 549 Cb 0.00 -0.33 -0.09 0.00 -1.82 0.00 0.00 70.33 68.08 3hov n THR 549 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3hov s ASP 550 N -1.45 5.22 0.35 8.00 -1.08 -1.26 -4.83 116.67 121.62 3hov s ASP 550 Ca 0.04 0.11 0.16 0.00 -0.52 0.00 0.00 52.55 52.33 3hov s ASP 550 Cb -0.00 -1.44 0.63 0.00 -1.46 0.00 0.00 42.92 40.64 3hov s ASP 550 CO 0.02 0.35 1.72 1.55 0.52 0.00 0.00 175.17 179.34 3hov h PRO 551 N 4.92 0.00 -0.13 4.34 0.13 -2.01 -3.40 132.00 135.85 3hov h PRO 551 Ca -0.50 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.64 3hov h PRO 551 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 3hov h PRO 551 CO 0.55 0.43 -0.17 0.52 -0.23 0.00 0.00 178.00 179.10 3hov h MET 552 N 0.00 -0.11 0.00 0.86 2.86 -1.97 0.47 114.93 117.04 3hov h MET 552 Ca -0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3hov h MET 552 Cb 0.90 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.59 3hov h MET 552 CO 0.06 -0.07 0.00 -0.35 1.06 0.00 0.00 176.91 177.60 3hov n PRO 553 N -3.52 0.00 -0.01 -0.22 -0.04 -1.26 -0.91 135.00 129.03 3hov n PRO 553 Ca -0.01 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.43 3hov n PRO 553 Cb 0.10 -1.37 -0.01 0.00 -0.04 0.00 0.00 33.50 32.18 3hov n PRO 553 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3hov n ILE 554 N -0.82 0.16 0.45 0.52 -0.00 -0.62 -3.85 119.36 115.20 3hov n ILE 554 Ca 0.00 -0.07 -0.18 0.00 -0.00 0.00 0.00 62.75 62.50 3hov n ILE 554 Cb 0.00 -0.69 -0.08 0.00 -0.00 0.00 0.00 39.64 38.86 3hov n ILE 554 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 3hov h ILE 555 N 0.00 0.00 0.33 1.39 2.04 0.14 -2.05 117.51 119.35 3hov h ILE 555 Ca -0.06 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3hov h ILE 555 Cb 1.11 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 3hov h ILE 555 CO -0.01 0.00 -0.42 0.74 0.00 0.00 0.00 178.15 178.47 3hov h THR 556 N -1.31 0.16 -1.03 -0.27 2.02 -1.26 -2.02 112.91 109.20 3hov h THR 556 Ca -0.12 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.36 3hov h THR 556 Cb 0.89 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 3hov h THR 556 CO 0.20 0.00 1.00 0.15 0.37 0.00 0.00 175.52 177.24 3hov h PHE 557 N -0.79 0.00 0.00 3.16 -0.00 -1.66 -2.38 116.94 115.27 3hov h PHE 557 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.95 3hov h PHE 557 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.68 3hov h PHE 557 CO -0.27 0.00 -0.11 -0.07 -0.00 0.00 0.00 178.31 177.86 3hov h LEU 558 N 0.00 0.00 -1.38 0.59 3.38 -0.63 -3.37 115.31 113.90 3hov h LEU 558 Ca 0.49 0.00 0.43 0.00 0.09 0.00 0.00 57.88 58.89 3hov h LEU 558 Cb 2.49 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 43.15 3hov h LEU 558 CO -0.01 0.30 0.96 -1.54 0.09 0.00 0.00 178.44 178.24 3hov n SER 559 N -3.37 0.07 -2.14 -0.43 3.41 -0.91 0.15 113.62 110.40 3hov n SER 559 Ca -0.02 0.93 -0.25 0.00 -0.26 0.00 0.00 58.87 59.27 3hov n SER 559 Cb 0.06 -0.46 0.05 0.00 -0.26 0.00 0.00 64.21 63.60 3hov n SER 559 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hov n GLU 560 N -3.86 2.23 0.00 4.33 1.02 -1.11 -3.50 120.64 119.75 3hov n GLU 560 Ca 0.34 -2.37 0.00 0.00 -0.02 0.00 0.00 57.16 55.11 3hov n GLU 560 Cb 1.46 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 3hov n GLU 560 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 3hov n TRP 561 N -0.16 0.00 0.00 -0.32 7.02 0.41 -5.00 117.44 119.39 3hov n TRP 561 Ca 0.45 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.93 3hov n TRP 561 Cb 0.60 0.11 0.00 0.00 -2.42 0.00 0.00 31.31 29.60 3hov n TRP 561 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hov n GLY 562 N 0.00 -0.46 3.56 6.99 0.00 -1.20 -4.85 105.19 109.23 3hov n GLY 562 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3hov n GLY 562 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hov s MET 563 N 0.00 3.51 -0.58 1.61 0.00 -1.23 -4.00 119.30 118.62 3hov s MET 563 Ca 0.00 0.13 -0.21 0.00 0.00 0.00 0.00 55.69 55.62 3hov s MET 563 Cb 0.00 -3.95 0.07 0.00 0.00 0.00 0.00 34.83 30.95 3hov s MET 563 CO 0.00 -1.30 0.79 -1.21 0.00 0.00 0.00 175.02 173.30 3hov s GLU 564 N 3.91 3.13 -0.15 4.11 2.02 0.30 -4.69 118.70 127.32 3hov s GLU 564 Ca 0.37 -0.91 -0.41 0.00 0.02 0.00 0.00 54.97 54.04 3hov s GLU 564 Cb -0.10 -4.18 -0.19 0.00 0.10 0.00 0.00 34.13 29.76 3hov s GLU 564 CO 0.26 -1.53 1.34 -0.35 0.02 0.00 0.00 175.26 175.00 3hov n PRO 565 N 6.85 0.36 0.14 0.39 -0.04 -1.26 -1.33 135.00 140.11 3hov n PRO 565 Ca -0.05 0.13 0.19 0.00 -0.04 0.00 0.00 63.50 63.73 3hov n PRO 565 Cb 0.45 -1.68 0.73 0.00 -0.04 0.00 0.00 33.50 32.96 3hov n PRO 565 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3hov h LEU 566 N 4.33 0.00 -1.17 1.53 5.85 -1.86 -0.07 115.31 123.92 3hov h LEU 566 Ca -0.48 0.00 0.28 0.00 0.84 0.00 0.00 57.88 58.52 3hov h LEU 566 Cb 1.38 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.30 3hov h LEU 566 CO 0.80 0.00 0.64 -0.33 -0.34 0.00 0.00 178.44 179.21 3hov h GLU 567 N 0.00 0.43 -2.77 1.25 4.39 -1.91 -3.16 114.58 112.81 3hov h GLU 567 Ca 0.16 -0.03 -0.60 0.00 0.34 0.00 0.00 59.36 59.23 3hov h GLU 567 Cb 1.10 -0.10 -0.40 0.00 -0.10 0.00 0.00 28.75 29.26 3hov h GLU 567 CO -0.00 0.29 -0.78 0.16 -1.16 0.00 0.00 179.01 177.51 3hov s ASP 568 N -5.13 3.16 0.06 1.42 -4.77 -0.04 -4.95 116.67 106.41 3hov s ASP 568 Ca -0.10 -3.10 0.07 0.00 -3.30 0.00 0.00 52.55 46.12 3hov s ASP 568 Cb 0.27 -0.96 -0.03 0.00 -1.09 0.00 0.00 42.92 41.11 3hov s ASP 568 CO 0.80 -0.18 -0.15 -0.47 0.70 0.00 0.00 175.17 175.86 3hov s TYR 569 N -0.21 2.63 -0.34 2.11 5.04 -1.20 -4.81 117.35 120.57 3hov s TYR 569 Ca 0.25 -0.21 -0.01 0.00 -2.44 0.00 0.00 57.07 54.66 3hov s TYR 569 Cb -0.09 -1.46 0.11 0.00 0.35 0.00 0.00 41.96 40.87 3hov s TYR 569 CO -0.11 0.31 0.15 0.14 -1.34 0.00 0.00 175.55 174.69 3hov s VAL 570 N -1.01 0.70 0.18 3.14 -7.23 -1.26 -5.04 120.40 109.87 3hov s VAL 570 Ca 0.16 -1.54 -0.20 0.00 -1.81 0.00 0.00 61.98 58.59 3hov s VAL 570 Cb -0.11 -1.52 0.11 0.00 0.56 0.00 0.00 36.38 35.42 3hov s VAL 570 CO 0.07 -0.77 1.61 1.55 -0.31 0.00 0.00 175.10 177.25 3hov h PRO 571 N 7.74 -0.17 -0.17 4.82 0.13 -1.87 0.30 132.00 142.78 3hov h PRO 571 Ca -0.10 0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 64.88 3hov h PRO 571 Cb 0.99 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 3hov h PRO 571 CO 0.44 -0.11 -0.56 1.12 -0.23 0.00 0.00 178.00 178.65 3hov h HIS 572 N -0.17 0.67 -0.53 1.56 2.07 -1.93 -2.80 115.15 114.02 3hov h HIS 572 Ca 0.21 -0.24 -0.07 0.00 -2.85 0.00 0.00 60.37 57.42 3hov h HIS 572 Cb 0.51 -0.12 -0.02 0.00 2.57 0.00 0.00 27.41 30.35 3hov h HIS 572 CO -0.54 0.97 0.05 0.37 -3.07 0.00 0.00 177.93 175.71 3hov h GLN 573 N 0.40 0.86 -3.71 5.12 4.15 -1.84 -3.32 115.11 116.76 3hov h GLN 573 Ca 0.00 -0.22 -0.65 0.00 0.77 0.00 0.00 58.65 58.56 3hov h GLN 573 Cb 1.11 -0.11 -0.40 0.00 0.21 0.00 0.00 27.48 28.29 3hov h GLN 573 CO 0.10 0.83 -0.63 -1.12 -1.93 0.00 0.00 178.83 176.09 3hov s SER 574 N -6.61 4.51 -0.01 -0.69 0.01 1.00 -5.01 113.70 106.92 3hov s SER 574 Ca -0.10 -2.79 -0.06 0.00 1.31 0.00 0.00 55.95 54.31 3hov s SER 574 Cb 0.15 -1.66 -0.03 0.00 0.21 0.00 0.00 66.02 64.68 3hov s SER 574 CO 0.82 -0.28 0.61 1.55 0.41 0.00 0.00 173.24 176.34 3hov h PRO 575 N 6.82 -0.21 -0.91 12.44 0.13 -1.61 -3.36 132.00 145.30 3hov h PRO 575 Ca -0.07 0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 64.94 3hov h PRO 575 Cb 0.93 0.05 -0.08 0.00 0.13 0.00 0.00 31.00 32.02 3hov h PRO 575 CO 0.65 -0.14 0.18 -0.25 -0.23 0.00 0.00 178.00 178.22 3hov n ASP 576 N -2.98 3.37 -4.49 1.44 8.00 -1.26 -4.94 116.55 115.69 3hov n ASP 576 Ca -0.03 -2.65 -0.48 0.00 0.71 0.00 0.00 54.79 52.35 3hov n ASP 576 Cb 0.08 -0.63 -0.06 0.00 -0.02 0.00 0.00 41.12 40.49 3hov n ASP 576 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hov n ALA 577 N -0.03 1.25 -2.22 2.24 0.00 -1.26 -4.85 120.51 115.64 3hov n ALA 577 Ca 0.22 -0.14 -0.32 0.00 0.00 0.00 0.00 53.44 53.20 3hov n ALA 577 Cb 0.92 -2.66 -0.04 0.00 0.00 0.00 0.00 19.45 17.67 3hov n ALA 577 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hov s THR 578 N 7.76 3.70 -0.03 0.00 2.01 -1.18 -4.88 115.64 123.01 3hov s THR 578 Ca 1.07 -1.07 -0.36 0.00 0.31 0.00 0.00 61.69 61.64 3hov s THR 578 Cb -0.71 -4.68 -0.14 0.00 0.01 0.00 0.00 72.50 66.99 3hov s THR 578 CO 0.45 -1.30 1.66 -2.11 -0.69 0.00 0.00 174.62 172.63 3hov n ARG 579 N 8.44 1.72 -3.17 4.92 1.85 -1.23 -3.58 116.66 125.62 3hov n ARG 579 Ca 0.44 0.63 -0.39 0.00 -1.00 0.00 0.00 57.85 57.53 3hov n ARG 579 Cb 0.47 -2.37 -0.06 0.00 -1.05 0.00 0.00 32.46 29.45 3hov n ARG 579 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3hov s VAL 580 N 2.42 4.79 0.01 8.89 1.01 -0.50 -2.05 120.40 134.98 3hov s VAL 580 Ca 0.89 1.34 0.06 0.00 0.00 0.00 0.00 61.98 64.28 3hov s VAL 580 Cb -0.83 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 31.56 3hov s VAL 580 CO 0.50 0.45 -0.20 -0.36 0.00 0.00 0.00 175.10 175.50 3hov s PHE 581 N -0.47 1.74 -0.14 5.22 0.40 0.31 -2.20 117.98 122.84 3hov s PHE 581 Ca 0.32 -0.35 -0.04 0.00 -0.60 0.00 0.00 56.93 56.26 3hov s PHE 581 Cb -0.19 -1.08 0.06 0.00 0.51 0.00 0.00 43.02 42.32 3hov s PHE 581 CO 0.19 0.03 0.16 0.08 0.70 0.00 0.00 175.22 176.39 3hov s VAL 582 N -0.63 -0.24 -1.34 -0.44 1.01 -0.69 -1.17 120.40 116.90 3hov s VAL 582 Ca 0.07 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 3hov s VAL 582 Cb -0.08 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.84 3hov s VAL 582 CO 0.01 -0.05 0.69 0.59 0.00 0.00 0.00 175.10 176.33 3hov n ASN 583 N 5.31 -1.37 -2.51 3.32 3.02 0.24 -2.44 115.26 120.83 3hov n ASN 583 Ca -0.05 -0.84 -0.18 0.00 -0.03 0.00 0.00 54.58 53.47 3hov n ASN 583 Cb 0.50 -3.91 0.03 0.00 -0.61 0.00 0.00 39.78 35.78 3hov n ASN 583 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hov n GLY 584 N -1.64 -0.30 2.94 7.41 0.00 -1.26 -5.00 105.19 107.35 3hov n GLY 584 Ca -0.27 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.56 3hov n GLY 584 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hov s VAL 585 N -3.07 0.36 -0.37 1.61 1.01 -1.02 -4.89 120.40 114.04 3hov s VAL 585 Ca 0.25 -0.18 -0.22 0.00 0.00 0.00 0.00 61.98 61.83 3hov s VAL 585 Cb -0.11 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 35.96 3hov s VAL 585 CO 0.31 0.11 0.70 0.86 0.00 0.00 0.00 175.10 177.09 3hov s TRP 586 N -0.02 3.13 -0.50 5.22 -0.11 -1.26 -1.70 118.94 123.69 3hov s TRP 586 Ca 0.01 0.41 0.16 0.00 1.22 0.00 0.00 56.10 57.90 3hov s TRP 586 Cb -0.03 -3.28 0.68 0.00 -1.50 0.00 0.00 33.47 29.35 3hov s TRP 586 CO -0.00 -0.69 1.60 0.72 -4.62 0.00 0.00 176.95 173.95 3hov n HIS 587 N 6.24 1.51 0.00 5.86 8.25 -0.93 -4.83 115.22 131.31 3hov n HIS 587 Ca 0.01 -0.73 0.00 0.00 -0.26 0.00 0.00 57.72 56.74 3hov n HIS 587 Cb 0.48 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.24 3hov n HIS 587 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hov n GLY 588 N 0.43 0.22 3.29 -1.41 0.00 -1.26 -3.62 105.19 102.84 3hov n GLY 588 Ca 0.25 -1.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 3hov n GLY 588 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hov s VAL 589 N 0.00 0.00 -0.01 1.61 1.01 -0.44 -1.40 120.40 121.17 3hov s VAL 589 Ca 0.00 -1.88 -0.01 0.00 0.00 0.00 0.00 61.98 60.09 3hov s VAL 589 Cb 0.00 -2.46 -0.00 0.00 0.00 0.00 0.00 36.38 33.92 3hov s VAL 589 CO 0.00 0.00 0.02 -2.28 0.00 0.00 0.00 175.10 172.84 3hov s HIS 590 N -3.98 0.01 0.00 5.22 5.04 -1.23 0.11 115.29 120.45 3hov s HIS 590 Ca 0.36 -0.00 0.00 0.00 -1.54 0.00 0.00 55.06 53.88 3hov s HIS 590 Cb 0.05 -0.01 0.00 0.00 0.04 0.00 0.00 32.58 32.65 3hov s HIS 590 CO 0.14 -0.04 0.00 0.54 -2.34 0.00 0.00 174.74 173.04 3hov n ARG 591 N 2.86 3.40 -1.02 2.88 5.12 -1.26 -3.09 116.66 125.55 3hov n ARG 591 Ca -0.14 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.50 3hov n ARG 591 Cb 0.59 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.79 3hov n ARG 591 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3hov n ASN 592 N 0.00 0.21 0.12 0.55 2.85 -1.26 -4.69 115.26 113.05 3hov n ASN 592 Ca 0.00 0.14 -0.24 0.00 -0.11 0.00 0.00 54.58 54.37 3hov n ASN 592 Cb 0.00 -0.63 -0.16 0.00 1.24 0.00 0.00 39.78 40.24 3hov n ASN 592 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3hov h PRO 593 N 8.12 0.50 -1.29 1.20 0.13 -1.96 -3.35 132.00 135.34 3hov h PRO 593 Ca -0.04 -0.85 0.41 0.00 -0.87 0.00 0.00 66.00 64.66 3hov h PRO 593 Cb 0.90 0.32 -0.09 0.00 0.13 0.00 0.00 31.00 32.26 3hov h PRO 593 CO 0.94 1.41 0.88 0.00 -0.23 0.00 0.00 178.00 181.00 3hov n ALA 594 N -2.76 1.26 0.05 -0.56 0.00 -1.26 0.13 120.51 117.37 3hov n ALA 594 Ca -0.19 0.61 -0.03 0.00 0.00 0.00 0.00 53.44 53.83 3hov n ALA 594 Cb 1.09 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 19.66 3hov n ALA 594 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hov h ARG 595 N 0.00 -0.21 -1.03 0.00 2.47 -1.96 -2.87 114.38 110.77 3hov h ARG 595 Ca 0.71 0.01 0.29 0.00 -1.26 0.00 0.00 59.98 59.73 3hov h ARG 595 Cb 2.56 0.05 -0.13 0.00 -1.65 0.00 0.00 29.97 30.80 3hov h ARG 595 CO -0.21 -0.14 0.62 1.25 0.56 0.00 0.00 179.97 182.05 3hov h LEU 596 N -0.98 0.55 0.62 3.04 5.85 0.93 0.12 115.31 125.44 3hov h LEU 596 Ca -0.02 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3hov h LEU 596 Cb 0.17 0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.27 3hov h LEU 596 CO 0.04 0.01 -0.30 -0.03 -0.34 0.00 0.00 178.44 177.82 3hov h MET 597 N 0.43 -0.80 -1.27 1.25 4.05 -0.80 -1.79 114.93 116.00 3hov h MET 597 Ca 0.67 0.05 0.37 0.00 -0.28 0.00 0.00 59.70 60.52 3hov h MET 597 Cb 1.51 0.18 -0.06 0.00 -0.80 0.00 0.00 31.60 32.44 3hov h MET 597 CO -0.47 -0.53 0.91 1.49 0.23 0.00 0.00 176.91 178.53 3hov h GLU 598 N -1.21 0.03 0.18 0.39 4.81 -0.96 0.30 114.58 118.12 3hov h GLU 598 Ca -0.08 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 3hov h GLU 598 Cb 0.63 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.01 3hov h GLU 598 CO 0.14 0.02 -0.09 1.15 -0.73 0.00 0.00 179.01 179.50 3hov h THR 599 N 0.03 0.00 -0.66 0.32 2.02 -0.71 -3.03 112.91 110.88 3hov h THR 599 Ca 0.62 -0.28 0.13 0.00 0.77 0.00 0.00 66.41 67.65 3hov h THR 599 Cb 2.40 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 68.69 3hov h THR 599 CO -0.04 0.00 -0.16 -0.07 0.37 0.00 0.00 175.52 175.62 3hov h LEU 600 N -0.52 -0.61 -0.30 2.58 3.38 -0.26 0.32 115.31 119.90 3hov h LEU 600 Ca -0.02 0.20 0.05 0.00 0.09 0.00 0.00 57.88 58.20 3hov h LEU 600 Cb 0.19 0.41 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 3hov h LEU 600 CO 0.04 -0.22 -0.01 -0.09 0.09 0.00 0.00 178.44 178.26 3hov h ARG 601 N 0.00 0.08 -0.08 1.13 2.43 -0.61 -0.27 114.38 117.07 3hov h ARG 601 Ca 0.32 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 3hov h ARG 601 Cb 0.48 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3hov h ARG 601 CO -0.68 0.05 0.00 0.25 -1.51 0.00 0.00 179.97 178.08 3hov n THR 602 N -5.17 0.10 0.03 0.20 -2.24 -0.70 -1.73 114.28 104.77 3hov n THR 602 Ca 0.00 -0.19 -0.16 0.00 -2.27 0.00 0.00 64.05 61.43 3hov n THR 602 Cb 0.16 0.09 -0.14 0.00 -2.10 0.00 0.00 70.33 68.34 3hov n THR 602 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3hov h LEU 603 N 1.30 0.32 0.18 3.22 7.12 0.13 -3.31 115.31 124.25 3hov h LEU 603 Ca 0.00 -0.54 -0.31 0.00 0.13 0.00 0.00 57.88 57.17 3hov h LEU 603 Cb 0.28 -0.10 0.01 0.00 -0.53 0.00 0.00 40.66 40.32 3hov h LEU 603 CO 0.00 1.47 -1.47 -0.09 -0.13 0.00 0.00 178.44 178.22 3hov h ARG 604 N 0.06 0.38 0.00 1.25 2.43 -1.11 -1.45 114.38 115.94 3hov h ARG 604 Ca -0.30 -0.64 0.00 0.00 -0.81 0.00 0.00 59.98 58.23 3hov h ARG 604 Cb 2.02 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 31.81 3hov h ARG 604 CO 0.13 1.31 0.01 0.54 -1.51 0.00 0.00 179.97 180.44 3hov n ARG 605 N -3.79 0.00 -0.05 0.20 1.74 -0.70 0.14 116.66 114.19 3hov n ARG 605 Ca -0.22 0.08 -0.05 0.00 -0.77 0.00 0.00 57.85 56.89 3hov n ARG 605 Cb 1.00 -1.51 -0.08 0.00 -1.02 0.00 0.00 32.46 30.86 3hov n ARG 605 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3hov n LYS 606 N -1.04 2.18 0.00 5.56 4.81 -1.23 -1.79 118.16 126.65 3hov n LYS 606 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3hov n LYS 606 Cb 0.01 -1.26 0.00 0.00 0.02 0.00 0.00 35.03 33.80 3hov n LYS 606 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hov n GLY 607 N 2.43 0.85 0.35 3.14 0.00 0.36 -4.83 105.19 107.49 3hov n GLY 607 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3hov n GLY 607 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hov h ASP 608 N 0.00 0.85 -3.13 1.61 3.32 -1.46 -3.37 116.42 114.24 3hov h ASP 608 Ca 0.00 -0.03 -0.65 0.00 0.02 0.00 0.00 57.03 56.37 3hov h ASP 608 Cb 0.00 -0.21 -0.35 0.00 0.22 0.00 0.00 39.33 38.99 3hov h ASP 608 CO 0.00 0.63 -0.85 0.27 -1.72 0.00 0.00 179.24 177.56 3hov s ILE 609 N -5.80 1.90 -0.15 0.35 -4.36 -1.18 -4.98 121.20 106.98 3hov s ILE 609 Ca -0.11 -0.86 -0.14 0.00 -0.26 0.00 0.00 60.65 59.28 3hov s ILE 609 Cb 0.18 -1.72 -0.06 0.00 1.25 0.00 0.00 42.46 42.11 3hov s ILE 609 CO 0.78 0.52 0.49 -3.20 0.24 0.00 0.00 174.94 173.77 3hov n ASN 610 N 4.44 0.36 0.14 4.36 2.85 -1.26 -4.13 115.26 122.02 3hov n ASN 610 Ca -0.20 0.35 0.06 0.00 -0.11 0.00 0.00 54.58 54.69 3hov n ASN 610 Cb 0.51 -0.26 0.35 0.00 1.24 0.00 0.00 39.78 41.61 3hov n ASN 610 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3hov n PRO 611 N 1.26 0.09 -0.02 1.20 -0.02 -1.26 -2.12 135.00 134.13 3hov n PRO 611 Ca 0.10 0.55 -0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3hov n PRO 611 Cb -0.02 -2.01 -0.00 0.00 -0.02 0.00 0.00 33.50 31.45 3hov n PRO 611 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3hov h GLU 612 N 0.00 0.00 -6.05 -0.52 4.81 -1.89 -3.34 114.58 107.60 3hov h GLU 612 Ca 0.00 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.56 3hov h GLU 612 Cb 0.46 0.00 0.11 0.00 0.63 0.00 0.00 28.75 29.95 3hov h GLU 612 CO 0.00 0.00 -0.42 0.28 -0.73 0.00 0.00 179.01 178.14 3hov n VAL 613 N -2.96 1.84 -4.30 0.32 0.31 -0.90 -4.86 118.33 107.78 3hov n VAL 613 Ca -0.00 -0.46 -0.28 0.00 -0.01 0.00 0.00 64.34 63.59 3hov n VAL 613 Cb 0.01 -0.10 -0.10 0.00 -0.91 0.00 0.00 33.84 32.74 3hov n VAL 613 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3hov s SER 614 N -0.88 4.10 -0.14 4.52 1.04 -0.43 -4.97 113.70 116.93 3hov s SER 614 Ca 0.66 -0.59 -0.10 0.00 0.48 0.00 0.00 55.95 56.40 3hov s SER 614 Cb -0.93 -0.64 0.05 0.00 0.10 0.00 0.00 66.02 64.59 3hov s SER 614 CO 0.56 0.13 0.36 -0.04 0.98 0.00 0.00 173.24 175.23 3hov s MET 615 N -2.63 0.36 -0.02 4.02 1.00 -1.26 0.40 119.30 121.17 3hov s MET 615 Ca 0.23 0.63 0.02 0.00 0.00 0.00 0.00 55.69 56.57 3hov s MET 615 Cb -0.09 0.04 0.00 0.00 0.00 0.00 0.00 34.83 34.78 3hov s MET 615 CO 0.13 -0.12 -0.09 0.42 0.00 0.00 0.00 175.02 175.37 3hov s ILE 616 N 0.92 0.75 -0.33 2.53 1.09 0.23 -4.91 121.20 121.48 3hov s ILE 616 Ca -0.06 -0.34 -0.10 0.00 -1.10 0.00 0.00 60.65 59.05 3hov s ILE 616 Cb -0.07 -0.67 0.01 0.00 -1.06 0.00 0.00 42.46 40.67 3hov s ILE 616 CO -0.07 0.24 0.17 -0.60 -0.10 0.00 0.00 174.94 174.57 3hov s ARG 617 N 0.19 3.14 -0.84 2.79 3.52 -1.26 -0.77 118.95 125.73 3hov s ARG 617 Ca -0.03 -0.85 -0.19 0.00 -0.13 0.00 0.00 55.73 54.53 3hov s ARG 617 Cb -0.08 -3.62 0.13 0.00 -1.56 0.00 0.00 34.95 29.82 3hov s ARG 617 CO 0.00 -0.52 1.03 0.34 -0.81 0.00 0.00 175.30 175.34 3hov s ASP 618 N 1.59 6.53 0.00 -2.12 -1.08 0.17 -4.93 116.67 116.83 3hov s ASP 618 Ca 0.04 -1.88 0.00 0.00 -0.52 0.00 0.00 52.55 50.18 3hov s ASP 618 Cb -0.18 -2.37 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 3hov s ASP 618 CO 0.06 -1.08 0.88 -0.38 0.52 0.00 0.00 175.17 175.18 3hov n ILE 619 N 5.42 0.00 -0.35 4.11 5.41 -1.26 0.20 119.36 132.89 3hov n ILE 619 Ca 0.15 1.38 0.08 0.00 1.00 0.00 0.00 62.75 65.37 3hov n ILE 619 Cb 0.48 -2.23 0.18 0.00 -0.71 0.00 0.00 39.64 37.35 3hov n ILE 619 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3hov n ARG 620 N -1.92 -0.09 0.00 0.38 3.00 -1.26 0.22 116.66 117.00 3hov n ARG 620 Ca 0.00 1.51 0.14 0.00 -0.01 0.00 0.00 57.85 59.49 3hov n ARG 620 Cb 0.00 -2.29 0.56 0.00 0.00 0.00 0.00 32.46 30.72 3hov n ARG 620 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3hov n GLU 621 N -5.56 0.43 -3.67 5.56 4.07 -1.15 -4.97 120.64 115.36 3hov n GLU 621 Ca 0.18 -0.14 -0.25 0.00 -0.06 0.00 0.00 57.16 56.89 3hov n GLU 621 Cb 0.56 -1.50 0.01 0.00 -0.06 0.00 0.00 31.44 30.46 3hov n GLU 621 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3hov n LYS 622 N -1.16 -1.24 -4.00 5.31 5.02 0.60 -4.98 118.16 117.71 3hov n LYS 622 Ca 0.12 0.73 -0.11 0.00 -2.02 0.00 0.00 58.31 57.03 3hov n LYS 622 Cb 0.30 -3.39 -0.12 0.00 -0.02 0.00 0.00 35.03 31.80 3hov n LYS 622 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3hov s GLU 623 N -5.16 0.35 -0.26 1.97 2.02 -0.72 -3.50 118.70 113.40 3hov s GLU 623 Ca 0.18 -0.55 -0.00 0.00 0.02 0.00 0.00 54.97 54.62 3hov s GLU 623 Cb -0.08 -0.06 0.04 0.00 0.10 0.00 0.00 34.13 34.13 3hov s GLU 623 CO 0.87 -0.00 -0.07 -1.17 0.02 0.00 0.00 175.26 174.91 3hov s LEU 624 N -1.22 3.39 -0.20 1.80 2.96 -0.87 -0.65 118.68 123.88 3hov s LEU 624 Ca -0.11 -1.11 -0.08 0.00 -0.22 0.00 0.00 54.13 52.61 3hov s LEU 624 Cb -0.08 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 3hov s LEU 624 CO -0.00 -0.17 0.08 -0.54 -1.32 0.00 0.00 176.35 174.40 3hov s LYS 625 N 1.24 3.95 -0.07 1.98 -0.14 0.05 0.11 119.74 126.87 3hov s LYS 625 Ca -0.03 -0.35 -0.01 0.00 -1.36 0.00 0.00 55.97 54.22 3hov s LYS 625 Cb -0.18 -3.30 0.03 0.00 -1.68 0.00 0.00 37.83 32.69 3hov s LYS 625 CO -0.04 0.16 -0.02 0.42 -0.76 0.00 0.00 175.35 175.11 3hov s ILE 626 N 0.70 0.50 -0.20 2.17 1.01 -0.31 0.74 121.20 125.81 3hov s ILE 626 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.73 3hov s ILE 626 Cb -0.13 -0.62 0.02 0.00 0.01 0.00 0.00 42.46 41.74 3hov s ILE 626 CO 0.02 0.27 -0.17 -0.36 0.00 0.00 0.00 174.94 174.70 3hov s PHE 627 N 1.79 2.86 -1.67 3.97 0.40 0.16 0.80 117.98 126.30 3hov s PHE 627 Ca 0.03 -1.62 0.16 0.00 -0.60 0.00 0.00 56.93 54.90 3hov s PHE 627 Cb -0.13 -1.95 0.30 0.00 0.51 0.00 0.00 43.02 41.76 3hov s PHE 627 CO -0.05 -0.78 1.21 -2.37 0.70 0.00 0.00 175.22 173.93 3hov n THR 628 N 4.63 0.54 -1.39 0.64 5.66 -1.26 -1.31 114.28 121.79 3hov n THR 628 Ca -0.20 -0.77 -0.43 0.00 -3.05 0.00 0.00 64.05 59.60 3hov n THR 628 Cb 0.49 0.88 -0.01 0.00 -1.55 0.00 0.00 70.33 70.15 3hov n THR 628 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3hov n ASP 629 N 0.95 -1.65 -4.62 1.09 2.03 -1.26 -1.74 116.55 111.36 3hov n ASP 629 Ca 0.14 0.93 -0.39 0.00 0.52 0.00 0.00 54.79 55.98 3hov n ASP 629 Cb 0.46 -1.00 -0.09 0.00 -0.72 0.00 0.00 41.12 39.78 3hov n ASP 629 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hov s ALA 630 N -1.44 3.57 0.00 -1.67 0.00 -1.26 -4.27 121.76 116.68 3hov s ALA 630 Ca 0.62 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.84 3hov s ALA 630 Cb -0.69 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3hov s ALA 630 CO 0.60 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 176.18 3hov n GLY 631 N 4.49 1.27 3.23 0.00 0.00 0.95 -4.84 105.19 110.30 3hov n GLY 631 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 3hov n GLY 631 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hov s ARG 632 N -0.19 2.80 0.10 1.61 0.52 -1.26 -1.67 118.95 120.86 3hov s ARG 632 Ca 0.00 -1.02 -0.31 0.00 -0.52 0.00 0.00 55.73 53.88 3hov s ARG 632 Cb 0.00 -3.13 -0.08 0.00 0.52 0.00 0.00 34.95 32.26 3hov s ARG 632 CO 0.00 -0.46 1.50 0.08 0.02 0.00 0.00 175.30 176.44 3hov s VAL 633 N 1.35 3.10 0.06 3.52 1.01 -1.26 -1.68 120.40 126.51 3hov s VAL 633 Ca -0.00 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.69 3hov s VAL 633 Cb -0.17 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 3hov s VAL 633 CO -0.02 0.03 -0.04 -0.72 0.00 0.00 0.00 175.10 174.35 3hov s TYR 634 N 1.65 0.64 0.40 5.22 -0.85 -0.78 -3.39 117.35 120.24 3hov s TYR 634 Ca 0.68 -0.95 0.00 0.00 -0.52 0.00 0.00 57.07 56.28 3hov s TYR 634 Cb -0.39 -0.42 -0.00 0.00 0.38 0.00 0.00 41.96 41.53 3hov s TYR 634 CO 0.30 -0.27 0.00 2.89 -1.52 0.00 0.00 175.55 176.95 3hov n ARG 635 N 0.23 1.03 -4.89 -3.49 1.85 -1.09 -1.79 116.66 108.51 3hov n ARG 635 Ca -0.15 -2.91 -0.33 0.00 -1.00 0.00 0.00 57.85 53.46 3hov n ARG 635 Cb 0.60 0.79 -0.14 0.00 -1.05 0.00 0.00 32.46 32.67 3hov n ARG 635 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3hov s PRO 636 N -3.44 2.73 0.09 2.89 0.04 -1.26 -1.76 135.00 134.29 3hov s PRO 636 Ca 0.00 -0.71 0.04 0.00 0.04 0.00 0.00 61.00 60.37 3hov s PRO 636 Cb 0.00 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 3hov s PRO 636 CO 0.00 0.50 -0.11 -0.51 0.04 0.00 0.00 177.00 176.93 3hov s LEU 637 N -0.40 2.38 0.30 -3.56 1.43 0.32 -4.60 118.68 114.55 3hov s LEU 637 Ca 0.04 -0.78 -0.28 0.00 -1.03 0.00 0.00 54.13 52.09 3hov s LEU 637 Cb -0.12 -0.33 -0.09 0.00 0.03 0.00 0.00 46.19 45.68 3hov s LEU 637 CO 0.02 -0.24 1.06 -0.36 0.23 0.00 0.00 176.35 177.06 3hov s PHE 638 N -2.25 3.57 -0.10 0.29 2.99 -0.50 -0.35 117.98 121.64 3hov s PHE 638 Ca 0.04 1.72 -0.15 0.00 0.00 0.00 0.00 56.93 58.55 3hov s PHE 638 Cb -0.04 -3.18 -0.05 0.00 0.00 0.00 0.00 43.02 39.75 3hov s PHE 638 CO 0.00 -0.38 0.36 0.42 -0.00 0.00 0.00 175.22 175.62 3hov s ILE 639 N -1.31 5.20 -0.12 0.64 1.01 -0.65 -0.83 121.20 125.15 3hov s ILE 639 Ca 0.47 0.71 0.18 0.00 0.00 0.00 0.00 60.65 62.02 3hov s ILE 639 Cb -0.28 -3.68 -0.27 0.00 0.01 0.00 0.00 42.46 38.23 3hov s ILE 639 CO 0.36 0.45 0.44 0.52 0.00 0.00 0.00 174.94 176.71 3hov n VAL 640 N 2.93 0.00 0.00 2.92 0.31 0.21 -0.93 118.33 123.77 3hov n VAL 640 Ca -0.12 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 3hov n VAL 640 Cb 0.52 0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.64 3hov n VAL 640 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hov n GLU 641 N -2.05 0.00 0.00 5.55 -0.58 -1.23 -1.91 120.64 120.42 3hov n GLU 641 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 3hov n GLU 641 Cb 0.45 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.32 3hov n GLU 641 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3hov n ASP 642 N 0.00 0.00 -1.86 1.62 5.75 -1.26 -3.69 116.55 117.11 3hov n ASP 642 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3hov n ASP 642 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3hov n ASP 642 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3hov n ASP 643 N -0.41 0.00 -4.16 -1.12 8.00 -1.26 -4.40 116.55 113.21 3hov n ASP 643 Ca 0.00 -0.31 -0.39 0.00 0.71 0.00 0.00 54.79 54.80 3hov n ASP 643 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 3hov n ASP 643 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3hov s GLU 644 N 0.82 2.86 0.00 -1.24 2.56 -1.23 -4.84 118.70 117.63 3hov s GLU 644 Ca 0.00 -2.55 0.02 0.00 0.00 0.00 0.00 54.97 52.45 3hov s GLU 644 Cb 0.00 -3.92 0.13 0.00 2.00 0.00 0.00 34.13 32.34 3hov s GLU 644 CO 0.00 -1.21 0.73 -1.13 -0.56 0.00 0.00 175.26 173.09 3hov n SER 645 N 3.56 0.00 -2.82 -1.70 3.41 -1.26 -2.45 113.62 112.36 3hov n SER 645 Ca 0.10 -1.17 -0.18 0.00 -0.26 0.00 0.00 58.87 57.36 3hov n SER 645 Cb 0.40 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.35 3hov n SER 645 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3hov n LEU 646 N -0.56 2.42 0.00 1.04 0.00 -1.26 -5.08 117.00 113.56 3hov n LEU 646 Ca 0.02 -4.70 0.00 0.00 0.00 0.00 0.00 56.01 51.32 3hov n LEU 646 Cb 0.01 0.17 0.00 0.00 0.00 0.00 0.00 43.42 43.60 3hov n LEU 646 CO 0.01 2.03 0.00 0.61 0.00 0.00 0.00 177.39 180.05 3hov n GLY 647 N -0.08 0.39 0.00 -3.96 0.00 -1.02 -5.10 105.19 95.42 3hov n GLY 647 Ca 0.23 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.85 3hov n GLY 647 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3hov n HIS 648 N 0.10 0.00 -3.47 1.61 1.44 -1.26 -4.82 115.22 108.81 3hov n HIS 648 Ca 0.00 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.36 3hov n HIS 648 Cb 0.00 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.05 3hov n HIS 648 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 3hov s LYS 649 N 2.66 3.86 -0.05 -1.40 2.20 -1.26 -3.50 119.74 122.25 3hov s LYS 649 Ca 0.00 0.32 -0.30 0.00 -0.36 0.00 0.00 55.97 55.63 3hov s LYS 649 Cb 0.00 -2.95 0.08 0.00 -1.51 0.00 0.00 37.83 33.45 3hov s LYS 649 CO 0.00 0.51 0.74 -2.00 -0.36 0.00 0.00 175.35 174.24 3hov s GLU 650 N -1.97 0.98 0.08 4.03 2.56 -0.80 -4.90 118.70 118.67 3hov s GLU 650 Ca 0.36 0.17 -0.36 0.00 0.00 0.00 0.00 54.97 55.14 3hov s GLU 650 Cb -0.14 0.46 -0.16 0.00 2.00 0.00 0.00 34.13 36.29 3hov s GLU 650 CO 0.19 -0.32 1.44 1.28 -0.56 0.00 0.00 175.26 177.28 3hov n LEU 651 N 0.76 2.08 -0.09 2.70 4.77 -1.25 -4.22 117.00 121.74 3hov n LEU 651 Ca -0.17 1.10 -0.09 0.00 -0.03 0.00 0.00 56.01 56.83 3hov n LEU 651 Cb 0.58 -1.25 -0.01 0.00 -2.33 0.00 0.00 43.42 40.41 3hov n LEU 651 CO 0.21 -0.80 1.00 0.11 -1.33 0.00 0.00 177.39 176.58 3hov h LYS 652 N 5.16 0.41 -6.96 3.23 1.57 -1.29 -3.42 116.57 115.27 3hov h LYS 652 Ca -0.47 -0.03 -0.53 0.00 -1.87 0.00 0.00 60.65 57.75 3hov h LYS 652 Cb 1.31 -0.09 0.10 0.00 0.08 0.00 0.00 32.23 33.63 3hov h LYS 652 CO 0.82 0.27 0.65 0.08 -0.57 0.00 0.00 179.45 180.70 3hov s VAL 653 N -6.16 2.41 0.08 0.50 1.01 -1.26 -5.02 120.40 111.95 3hov s VAL 653 Ca -0.13 0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.23 3hov s VAL 653 Cb 0.10 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 3hov s VAL 653 CO 0.71 0.05 -0.07 -0.13 0.00 0.00 0.00 175.10 175.66 3hov s ARG 654 N -2.31 0.71 0.50 2.72 1.81 -1.26 -4.75 118.95 116.37 3hov s ARG 654 Ca 0.58 -1.11 0.39 0.00 -1.72 0.00 0.00 55.73 53.88 3hov s ARG 654 Cb -0.40 -0.23 1.35 0.00 -0.45 0.00 0.00 34.95 35.22 3hov s ARG 654 CO 0.52 0.01 1.31 1.17 -0.68 0.00 0.00 175.30 177.62 3hov n LYS 655 N 0.54 0.00 -0.05 3.54 3.00 -0.60 0.24 118.16 124.84 3hov n LYS 655 Ca -0.16 0.94 -0.14 0.00 -0.00 0.00 0.00 58.31 58.94 3hov n LYS 655 Cb 0.58 -2.20 -0.12 0.00 0.00 0.00 0.00 35.03 33.29 3hov n LYS 655 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 3hov h GLY 656 N 0.00 0.04 -0.10 3.14 0.00 -1.80 -0.39 103.07 103.96 3hov h GLY 656 Ca 0.73 -0.07 0.15 0.00 0.00 0.00 0.00 47.33 48.14 3hov h GLY 656 CO -0.01 0.06 0.10 0.45 0.00 0.00 0.00 176.54 177.14 3hov h HIS 657 N -0.76 0.13 0.58 5.60 3.86 0.28 0.40 115.15 125.23 3hov h HIS 657 Ca -0.01 0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 3hov h HIS 657 Cb 0.87 0.05 0.01 0.00 1.06 0.00 0.00 27.41 29.40 3hov h HIS 657 CO 0.21 -0.13 -0.28 0.82 0.86 0.00 0.00 177.93 179.41 3hov h ILE 658 N 0.20 0.28 -0.31 2.45 2.04 -1.33 -2.53 117.51 118.30 3hov h ILE 658 Ca 0.38 -0.35 0.09 0.00 1.00 0.00 0.00 64.86 65.98 3hov h ILE 658 Cb 0.64 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3hov h ILE 658 CO -0.53 0.04 0.26 0.00 0.00 0.00 0.00 178.15 177.92 3hov h ALA 659 N -0.82 2.13 0.00 1.87 0.00 -0.65 0.25 119.26 122.04 3hov h ALA 659 Ca -0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3hov h ALA 659 Cb 0.65 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3hov h ALA 659 CO 0.13 -0.42 -0.07 -0.22 0.00 0.00 0.00 179.25 178.67 3hov h LYS 660 N 0.00 0.00 0.00 0.00 3.64 0.01 -2.73 116.57 117.48 3hov h LYS 660 Ca 0.15 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 3hov h LYS 660 Cb 0.67 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 3hov h LYS 660 CO -0.00 0.07 -0.37 -0.07 -2.27 0.00 0.00 179.45 176.81 3hov h LEU 661 N 0.00 0.00 -1.78 5.20 3.38 -0.12 -3.28 115.31 118.71 3hov h LEU 661 Ca -0.00 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.17 3hov h LEU 661 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3hov h LEU 661 CO 0.01 1.11 0.14 0.24 0.09 0.00 0.00 178.44 180.03 3hov h MET 662 N -1.00 0.00 -0.01 1.13 2.86 -1.32 0.31 114.93 116.91 3hov h MET 662 Ca -0.10 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3hov h MET 662 Cb 1.03 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.69 3hov h MET 662 CO -0.06 0.00 -0.00 0.00 1.06 0.00 0.00 176.91 177.91 3hov h ALA 663 N 1.67 0.02 0.00 6.32 0.00 -1.54 -2.10 119.26 123.62 3hov h ALA 663 Ca 0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3hov h ALA 663 Cb 0.28 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3hov h ALA 663 CO 0.00 -0.28 -0.42 1.15 0.00 0.00 0.00 179.25 179.70 3hov h THR 664 N -0.36 1.19 0.90 0.00 2.02 -0.52 -3.07 112.91 113.07 3hov h THR 664 Ca 0.00 -1.48 -0.04 0.00 0.77 0.00 0.00 66.41 65.66 3hov h THR 664 Cb 0.39 1.82 0.01 0.00 -1.74 0.00 0.00 68.15 68.63 3hov h THR 664 CO 0.00 0.41 -0.43 -0.33 0.37 0.00 0.00 175.52 175.54 3hov h GLU 665 N 0.00 -1.16 -0.89 6.66 5.08 -1.14 -2.30 114.58 120.83 3hov h GLU 665 Ca -0.00 0.08 0.26 0.00 -1.00 0.00 0.00 59.36 58.69 3hov h GLU 665 Cb 0.79 0.26 -0.04 0.00 0.50 0.00 0.00 28.75 30.27 3hov h GLU 665 CO 0.05 -0.77 0.67 -0.92 -1.00 0.00 0.00 179.01 177.04 3hov h TYR 666 N -1.23 0.00 0.00 4.33 3.20 -1.36 -2.51 116.97 119.40 3hov h TYR 666 Ca -0.12 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.75 3hov h TYR 666 Cb 0.93 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.20 3hov h TYR 666 CO -0.01 0.00 0.00 1.04 -1.64 0.00 0.00 178.16 177.55 3hov n GLN 667 N -4.18 0.52 0.00 1.82 6.02 -0.87 -5.13 117.38 115.57 3hov n GLN 667 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 3hov n GLN 667 Cb 0.98 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 31.00 3hov n GLN 667 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3hov n ASP 668 N 0.85 0.00 0.00 1.08 8.00 -0.95 -5.07 116.55 120.46 3hov n ASP 668 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3hov n ASP 668 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 3hov n ASP 668 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3hov n GLU 678 N -1.34 4.10 -3.23 -1.24 0.28 -1.26 -5.13 120.64 112.82 3hov n GLU 678 Ca 0.00 0.00 -0.46 0.00 -0.16 0.00 0.00 57.16 56.54 3hov n GLU 678 Cb 0.00 -0.63 -0.02 0.00 1.43 0.00 0.00 31.44 32.22 3hov n GLU 678 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3hov s TYR 679 N -0.60 3.66 0.00 -1.84 5.04 -1.26 -5.02 117.35 117.33 3hov s TYR 679 Ca 0.00 -1.93 0.00 0.00 -2.44 0.00 0.00 57.07 52.70 3hov s TYR 679 Cb 0.00 -3.94 0.00 0.00 0.35 0.00 0.00 41.96 38.37 3hov s TYR 679 CO 0.00 -1.11 0.00 0.25 -1.34 0.00 0.00 175.55 173.35 3hov n THR 680 N 4.20 0.00 -0.09 4.34 -2.24 -1.26 -4.71 114.28 114.52 3hov n THR 680 Ca 0.18 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.80 3hov n THR 680 Cb 0.47 -0.75 -0.09 0.00 -2.10 0.00 0.00 70.33 67.86 3hov n THR 680 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3hov h TRP 681 N -0.05 0.00 -0.38 4.78 2.91 -1.96 -3.33 115.95 117.93 3hov h TRP 681 Ca 0.00 0.00 0.11 0.00 1.13 0.00 0.00 58.89 60.13 3hov h TRP 681 Cb 0.00 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.63 3hov h TRP 681 CO 0.00 1.00 0.62 0.77 -1.03 0.00 0.00 178.44 179.79 3hov h SER 682 N -1.00 0.00 0.51 2.65 0.02 -1.95 0.41 113.55 114.19 3hov h SER 682 Ca -0.21 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.71 3hov h SER 682 Cb 1.01 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.56 3hov h SER 682 CO -0.13 0.00 -0.25 0.77 -1.14 0.00 0.00 176.83 176.08 3hov h SER 683 N 0.00 -0.59 -1.19 3.07 4.64 -1.93 0.44 113.55 118.00 3hov h SER 683 Ca 0.18 0.02 0.37 0.00 -0.47 0.00 0.00 61.79 61.89 3hov h SER 683 Cb 1.42 0.15 -0.12 0.00 -0.31 0.00 0.00 62.40 63.54 3hov h SER 683 CO -0.00 -0.22 0.75 -0.07 -0.87 0.00 0.00 176.83 176.42 3hov h LEU 684 N -1.08 0.34 0.26 5.97 3.38 -0.34 0.31 115.31 124.14 3hov h LEU 684 Ca -0.07 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3hov h LEU 684 Cb 0.53 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3hov h LEU 684 CO 0.12 -0.10 -0.13 0.25 0.09 0.00 0.00 178.44 178.67 3hov h LEU 685 N 0.20 -0.30 -0.89 1.67 5.85 -1.10 -1.02 115.31 119.73 3hov h LEU 685 Ca 0.74 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 59.19 3hov h LEU 685 Cb 2.13 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 43.21 3hov h LEU 685 CO -0.41 0.19 0.14 0.78 -0.34 0.00 0.00 178.44 178.80 3hov h ASN 686 N -0.93 0.91 0.00 1.25 2.35 0.03 -2.13 115.58 117.05 3hov h ASN 686 Ca -0.04 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 3hov h ASN 686 Cb 0.49 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3hov h ASN 686 CO 0.06 0.88 0.00 -0.62 -1.65 0.00 0.00 177.43 176.10 3hov n GLU 687 N -4.25 0.68 -3.71 0.81 1.02 0.01 -4.16 120.64 111.04 3hov n GLU 687 Ca 0.04 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.96 3hov n GLU 687 Cb 0.25 -1.16 -0.04 0.00 -0.02 0.00 0.00 31.44 30.46 3hov n GLU 687 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hov n GLY 688 N 0.72 -0.20 0.06 0.62 0.00 -0.74 -4.80 105.19 100.85 3hov n GLY 688 Ca 0.00 0.14 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 3hov n GLY 688 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hov n LEU 689 N -3.29 0.69 -4.10 0.99 4.77 -0.41 -4.93 117.00 110.73 3hov n LEU 689 Ca -0.16 -0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.65 3hov n LEU 689 Cb 0.41 0.10 -0.12 0.00 -2.33 0.00 0.00 43.42 41.48 3hov n LEU 689 CO 0.50 0.40 -0.42 0.68 -1.33 0.00 0.00 177.39 177.22 3hov s VAL 690 N -2.29 0.74 0.02 4.08 -7.23 -1.09 -1.64 120.40 112.99 3hov s VAL 690 Ca -0.09 -1.14 -0.01 0.00 -1.81 0.00 0.00 61.98 58.93 3hov s VAL 690 Cb 0.04 -0.77 -0.02 0.00 0.56 0.00 0.00 36.38 36.19 3hov s VAL 690 CO 0.46 -0.32 -0.01 -0.70 -0.31 0.00 0.00 175.10 174.22 3hov s GLU 691 N -1.60 0.33 -0.79 4.82 2.12 0.53 -4.49 118.70 119.62 3hov s GLU 691 Ca -0.07 -0.60 -0.22 0.00 0.36 0.00 0.00 54.97 54.44 3hov s GLU 691 Cb -0.10 0.12 0.08 0.00 0.26 0.00 0.00 34.13 34.50 3hov s GLU 691 CO 0.01 -0.06 1.09 0.71 -0.54 0.00 0.00 175.26 176.47 3hov s TYR 692 N -1.50 2.77 -0.60 5.30 4.12 -1.26 -0.52 117.35 125.66 3hov s TYR 692 Ca -0.15 -0.81 -0.24 0.00 0.02 0.00 0.00 57.07 55.88 3hov s TYR 692 Cb -0.09 -4.36 0.05 0.00 -1.52 0.00 0.00 41.96 36.04 3hov s TYR 692 CO -0.01 -1.66 1.00 0.42 0.02 0.00 0.00 175.55 175.32 3hov s ILE 693 N 3.85 4.27 0.62 2.71 1.01 -0.72 -4.86 121.20 128.08 3hov s ILE 693 Ca 0.29 0.19 -0.10 0.00 0.00 0.00 0.00 60.65 61.02 3hov s ILE 693 Cb -0.11 -4.63 0.15 0.00 0.01 0.00 0.00 42.46 37.89 3hov s ILE 693 CO 0.02 -1.29 0.58 -0.90 0.00 0.00 0.00 174.94 173.35 3hov n ASP 694 N 7.80 -1.39 0.17 3.58 5.75 -1.26 -2.66 116.55 128.54 3hov n ASP 694 Ca 0.01 -0.89 -0.14 0.00 -0.01 0.00 0.00 54.79 53.76 3hov n ASP 694 Cb 0.47 -0.52 -0.08 0.00 -1.03 0.00 0.00 41.12 39.96 3hov n ASP 694 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hov h ALA 695 N -2.33 -0.40 -0.00 2.12 0.00 -1.91 -2.87 119.26 113.86 3hov h ALA 695 Ca -0.21 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.58 3hov h ALA 695 Cb 0.65 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 3hov h ALA 695 CO 0.14 -0.63 -0.32 1.49 0.00 0.00 0.00 179.25 179.94 3hov h GLU 696 N -0.60 -0.45 -0.39 0.00 4.57 -1.92 -2.69 114.58 113.10 3hov h GLU 696 Ca -0.04 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 3hov h GLU 696 Cb 0.43 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.11 3hov h GLU 696 CO 0.07 -0.30 0.20 1.49 -1.18 0.00 0.00 179.01 179.29 3hov h GLU 697 N -0.47 0.53 -0.85 1.92 4.81 -1.91 -1.99 114.58 116.61 3hov h GLU 697 Ca 0.06 -0.05 0.21 0.00 -0.13 0.00 0.00 59.36 59.45 3hov h GLU 697 Cb 0.55 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 3hov h GLU 697 CO -0.26 0.40 0.58 1.49 -0.73 0.00 0.00 179.01 180.49 3hov h GLU 698 N 0.53 0.25 -0.90 1.92 4.81 -1.24 0.15 114.58 120.10 3hov h GLU 698 Ca 0.14 -0.01 0.22 0.00 -0.13 0.00 0.00 59.36 59.57 3hov h GLU 698 Cb 0.03 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.30 3hov h GLU 698 CO -0.02 0.16 0.61 0.93 -0.73 0.00 0.00 179.01 179.96 3hov h GLU 699 N 0.26 0.33 -1.51 1.92 4.39 -1.40 -2.90 114.58 115.66 3hov h GLU 699 Ca 0.43 -0.02 -0.69 0.00 0.34 0.00 0.00 59.36 59.42 3hov h GLU 699 Cb 1.28 -0.07 -0.32 0.00 -0.10 0.00 0.00 28.75 29.53 3hov h GLU 699 CO -0.11 0.22 0.48 -1.13 -1.16 0.00 0.00 179.01 177.30 3hov n SER 700 N -4.48 6.77 -3.82 1.42 3.41 0.04 -5.00 113.62 111.97 3hov n SER 700 Ca 0.19 -3.79 -0.09 0.00 -0.26 0.00 0.00 58.87 54.92 3hov n SER 700 Cb 0.75 -0.85 -0.04 0.00 -0.26 0.00 0.00 64.21 63.81 3hov n SER 700 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3hov s ILE 701 N -5.05 0.00 -0.04 -1.33 -4.36 -1.10 -5.03 121.20 104.29 3hov s ILE 701 Ca 0.55 -1.31 0.05 0.00 -0.26 0.00 0.00 60.65 59.68 3hov s ILE 701 Cb 0.45 -2.25 -0.01 0.00 1.25 0.00 0.00 42.46 41.90 3hov s ILE 701 CO -0.22 0.00 -0.20 -0.22 0.24 0.00 0.00 174.94 174.54 3hov s LEU 702 N -3.02 1.99 -0.01 0.37 2.96 -1.26 -4.99 118.68 114.72 3hov s LEU 702 Ca 0.20 -0.40 0.05 0.00 -0.22 0.00 0.00 54.13 53.76 3hov s LEU 702 Cb -0.02 -1.11 -0.01 0.00 0.50 0.00 0.00 46.19 45.55 3hov s LEU 702 CO 0.10 0.20 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.53 3hov s ILE 703 N -0.13 1.37 0.01 6.68 1.01 -1.26 -1.61 121.20 127.27 3hov s ILE 703 Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.86 3hov s ILE 703 Cb -0.11 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 3hov s ILE 703 CO 0.02 0.35 0.09 0.00 0.00 0.00 0.00 174.94 175.41 3hov s ALA 704 N -0.45 3.63 0.00 9.38 0.00 -0.86 -4.94 121.76 128.52 3hov s ALA 704 Ca 0.06 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.14 3hov s ALA 704 Cb -0.07 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.46 3hov s ALA 704 CO -0.00 0.71 0.00 -0.12 0.00 0.00 0.00 175.76 176.35 3hov n MET 705 N 0.99 0.00 -2.00 0.00 1.56 -1.26 -1.01 117.12 115.40 3hov n MET 705 Ca -0.12 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 56.90 3hov n MET 705 Cb 0.52 -0.11 -0.03 0.00 2.15 0.00 0.00 33.22 35.76 3hov n MET 705 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 3hov s GLN 706 N 0.00 4.25 0.06 2.12 1.11 -1.26 -4.01 119.66 121.93 3hov s GLN 706 Ca 0.00 2.30 -0.31 0.00 0.01 0.00 0.00 55.36 57.35 3hov s GLN 706 Cb 0.00 -3.14 -0.18 0.00 -1.01 0.00 0.00 33.01 28.68 3hov s GLN 706 CO 0.00 -0.49 1.52 -1.00 0.01 0.00 0.00 175.29 175.33 3hov h PRO 707 N 5.89 -0.82 0.00 2.91 0.13 -1.85 -3.19 132.00 135.06 3hov h PRO 707 Ca -0.44 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3hov h PRO 707 Cb 1.21 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.53 3hov h PRO 707 CO 0.84 -0.52 0.00 -0.85 -0.23 0.00 0.00 178.00 177.24 3hov n GLU 708 N -5.43 0.00 0.00 0.86 0.28 -1.26 -3.61 120.64 111.48 3hov n GLU 708 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.87 3hov n GLU 708 Cb 0.36 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.23 3hov n GLU 708 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3hov n ASP 709 N 0.00 0.00 -1.80 -1.84 8.00 -1.26 -0.33 116.55 119.31 3hov n ASP 709 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 3hov n ASP 709 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 3hov n ASP 709 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3hov n LEU 710 N -1.26 5.56 0.19 0.64 4.77 -1.21 -4.32 117.00 121.37 3hov n LEU 710 Ca 0.00 -2.93 0.00 0.00 -0.03 0.00 0.00 56.01 53.05 3hov n LEU 710 Cb 0.00 -1.23 0.00 0.00 -2.33 0.00 0.00 43.42 39.86 3hov n LEU 710 CO 0.00 1.33 0.00 -0.62 -1.33 0.00 0.00 177.39 176.77 3hov n GLU 711 N 1.63 0.00 -0.64 3.23 -0.58 0.55 -4.88 120.64 119.94 3hov n GLU 711 Ca 0.22 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.68 3hov n GLU 711 Cb 0.65 0.00 0.22 0.00 -0.57 0.00 0.00 31.44 31.75 3hov n GLU 711 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3hov s PRO 712 N -1.98 -0.34 0.00 3.49 0.04 -1.26 -4.98 135.00 129.97 3hov s PRO 712 Ca 0.00 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.02 3hov s PRO 712 Cb 0.00 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.93 3hov s PRO 712 CO 0.00 -3.38 0.00 0.00 0.04 0.00 0.00 177.00 173.66 3hov n ALA 713 N -4.69 0.00 -3.74 8.56 0.00 -1.26 -5.05 120.51 114.33 3hov n ALA 713 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.28 3hov n ALA 713 Cb 0.54 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.81 3hov n ALA 713 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3hov s GLU 714 N -2.18 0.45 0.00 0.00 -6.30 -1.26 -5.16 118.70 104.25 3hov s GLU 714 Ca 0.00 0.15 0.00 0.00 -2.50 0.00 0.00 54.97 52.62 3hov s GLU 714 Cb 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 34.13 33.31 3hov s GLU 714 CO 0.00 -0.28 0.00 0.00 0.02 0.00 0.00 175.26 175.00 3hov n ALA 715 N 5.03 2.48 -2.00 6.30 0.00 -1.26 -5.33 120.51 125.74 3hov n ALA 715 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3hov n ALA 715 Cb 0.50 0.49 0.00 0.00 0.00 0.00 0.00 19.45 20.44 3hov n ALA 715 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hov n ASP 722 N -2.73 0.00 -4.80 0.00 -0.08 -1.26 -5.38 116.55 102.30 3hov n ASP 722 Ca 0.00 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.95 3hov n ASP 722 Cb 0.49 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.93 3hov n ASP 722 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3hov s VAL 723 N 1.66 3.84 0.05 5.18 1.01 -1.26 -4.99 120.40 125.89 3hov s VAL 723 Ca 0.00 1.03 -0.30 0.00 0.00 0.00 0.00 61.98 62.71 3hov s VAL 723 Cb 0.00 -3.44 -0.08 0.00 0.00 0.00 0.00 36.38 32.86 3hov s VAL 723 CO 0.00 -0.35 1.71 -0.62 0.00 0.00 0.00 175.10 175.84 3hov s ASP 724 N -2.31 6.57 0.43 3.32 -1.08 -1.26 -4.93 116.67 117.41 3hov s ASP 724 Ca 0.66 2.50 0.23 0.00 -0.52 0.00 0.00 52.55 55.42 3hov s ASP 724 Cb -0.16 -2.55 0.78 0.00 -1.46 0.00 0.00 42.92 39.52 3hov s ASP 724 CO 0.26 -0.93 1.76 1.55 0.52 0.00 0.00 175.17 178.34 3hov h PRO 725 N 8.83 0.00 0.11 4.34 0.13 -1.96 -3.29 132.00 140.16 3hov h PRO 725 Ca -0.43 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.38 3hov h PRO 725 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3hov h PRO 725 CO 0.94 0.22 -1.64 0.00 -0.23 0.00 0.00 178.00 177.29 3hov h ALA 726 N 1.78 0.33 -2.17 -0.56 0.00 -2.03 -3.47 119.26 113.13 3hov h ALA 726 Ca -0.00 -1.19 -0.45 0.00 0.00 0.00 0.00 54.91 53.26 3hov h ALA 726 Cb 0.85 0.38 0.21 0.00 0.00 0.00 0.00 17.79 19.22 3hov h ALA 726 CO 0.03 1.20 0.06 0.15 0.00 0.00 0.00 179.25 180.68 3hov s LYS 727 N -2.60 -0.53 0.00 0.00 1.02 -1.24 -4.90 119.74 111.49 3hov s LYS 727 Ca -0.11 0.98 0.00 0.00 0.02 0.00 0.00 55.97 56.86 3hov s LYS 727 Cb 0.07 -1.59 0.00 0.00 -0.52 0.00 0.00 37.83 35.79 3hov s LYS 727 CO 0.84 -3.50 0.00 2.89 -0.92 0.00 0.00 175.35 174.66 3hov n ARG 728 N -4.78 2.63 -3.26 1.68 1.85 -1.26 -5.02 116.66 108.51 3hov n ARG 728 Ca 0.05 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.85 3hov n ARG 728 Cb 0.54 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.91 3hov n ARG 728 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3hov s ILE 729 N 0.00 -0.77 0.40 8.89 1.01 -1.26 -5.03 121.20 124.44 3hov s ILE 729 Ca 0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.23 3hov s ILE 729 Cb 0.00 -0.41 -0.06 0.00 0.01 0.00 0.00 42.46 41.99 3hov s ILE 729 CO 0.00 -0.20 0.76 -0.13 0.00 0.00 0.00 174.94 175.37 3hov s ARG 730 N 1.91 3.77 0.00 2.79 0.52 -1.26 -5.08 118.95 121.61 3hov s ARG 730 Ca 0.15 0.45 0.00 0.00 -0.52 0.00 0.00 55.73 55.81 3hov s ARG 730 Cb -0.09 -2.40 0.00 0.00 0.52 0.00 0.00 34.95 32.98 3hov s ARG 730 CO -0.11 -0.03 0.00 0.28 0.02 0.00 0.00 175.30 175.47 3hov n VAL 731 N -1.28 0.00 -0.15 3.52 0.31 -1.26 -5.11 118.33 114.36 3hov n VAL 731 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 3hov n VAL 731 Cb 0.54 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 3hov n VAL 731 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3hov n SER 732 N 0.00 0.00 -2.49 4.52 7.64 -1.26 -5.03 113.62 117.00 3hov n SER 732 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 3hov n SER 732 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3hov n SER 732 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hov n HIS 733 N -0.03 2.18 -0.10 1.43 1.44 -1.26 -4.87 115.22 114.00 3hov n HIS 733 Ca 0.00 -2.20 -0.03 0.00 -2.01 0.00 0.00 57.72 53.49 3hov n HIS 733 Cb 0.00 -1.27 -0.00 0.00 0.12 0.00 0.00 29.99 28.83 3hov n HIS 733 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3hov n HIS 734 N 0.16 0.16 -3.58 -1.40 8.25 -1.26 -4.69 115.22 112.87 3hov n HIS 734 Ca 0.49 -0.60 -0.06 0.00 -0.26 0.00 0.00 57.72 57.29 3hov n HIS 734 Cb 0.48 -0.71 -0.02 0.00 1.12 0.00 0.00 29.99 30.87 3hov n HIS 734 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hov s ALA 735 N 4.40 -1.91 0.00 -1.41 0.00 -1.26 -5.01 121.76 116.57 3hov s ALA 735 Ca 0.06 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.05 3hov s ALA 735 Cb 0.02 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.42 3hov s ALA 735 CO -0.00 -0.75 0.00 2.41 0.00 0.00 0.00 175.76 177.42 3hov n THR 736 N -0.25 0.00 0.93 0.00 -1.04 -1.26 -4.75 114.28 107.90 3hov n THR 736 Ca -0.06 -0.07 0.10 0.00 -2.04 0.00 0.00 64.05 61.99 3hov n THR 736 Cb 0.61 0.59 0.50 0.00 -1.82 0.00 0.00 70.33 70.21 3hov n THR 736 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3hov n THR 737 N -0.31 0.41 -1.01 12.58 -2.24 -1.26 -4.87 114.28 117.57 3hov n THR 737 Ca 0.00 0.10 -0.35 0.00 -2.27 0.00 0.00 64.05 61.53 3hov n THR 737 Cb 0.00 -0.76 -0.10 0.00 -2.10 0.00 0.00 70.33 67.37 3hov n THR 737 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3hov n PHE 738 N -1.33 0.58 0.04 4.78 0.99 -1.26 -4.70 117.46 116.56 3hov n PHE 738 Ca 0.09 0.39 -0.22 0.00 -0.00 0.00 0.00 57.45 57.71 3hov n PHE 738 Cb 0.18 -1.69 -0.14 0.00 -1.00 0.00 0.00 39.48 36.82 3hov n PHE 738 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.76 178.55 3hov h THR 739 N 5.49 0.97 -2.92 4.37 1.35 -1.68 -3.40 112.91 117.08 3hov h THR 739 Ca -0.05 -2.44 -0.47 0.00 -0.55 0.00 0.00 66.41 62.89 3hov h THR 739 Cb 0.98 2.73 -0.14 0.00 -1.73 0.00 0.00 68.15 69.99 3hov h THR 739 CO 0.92 0.78 -0.59 -1.00 -0.25 0.00 0.00 175.52 175.38 3hov s HIS 740 N -2.52 1.86 -0.02 4.73 3.76 -0.63 0.67 115.29 123.13 3hov s HIS 740 Ca -0.18 -1.07 -0.01 0.00 -0.15 0.00 0.00 55.06 53.65 3hov s HIS 740 Cb 0.05 -1.20 0.01 0.00 1.11 0.00 0.00 32.58 32.55 3hov s HIS 740 CO 0.80 -0.12 0.03 0.00 -0.85 0.00 0.00 174.74 174.61 3hov s GLU 742 N 0.40 4.16 0.25 0.00 2.56 -0.18 -1.40 118.70 124.49 3hov s GLU 742 Ca -0.03 2.43 -0.04 0.00 0.00 0.00 0.00 54.97 57.33 3hov s GLU 742 Cb -0.05 -4.02 0.48 0.00 2.00 0.00 0.00 34.13 32.55 3hov s GLU 742 CO -0.01 -0.89 1.70 0.82 -0.56 0.00 0.00 175.26 176.32 3hov h ILE 743 N 5.50 0.56 -0.85 -3.70 2.04 -1.88 -3.43 117.51 115.75 3hov h ILE 743 Ca -0.45 -0.12 0.20 0.00 1.00 0.00 0.00 64.86 65.49 3hov h ILE 743 Cb 1.21 0.19 -0.28 0.00 -0.74 0.00 0.00 36.82 37.21 3hov h ILE 743 CO 0.95 0.06 0.46 -2.28 0.00 0.00 0.00 178.15 177.34 3hov s HIS 744 N -6.02 -0.34 0.25 1.37 2.46 -1.26 -4.71 115.29 107.04 3hov s HIS 744 Ca -0.13 0.63 -0.03 0.00 0.47 0.00 0.00 55.06 56.00 3hov s HIS 744 Cb 0.21 0.21 0.51 0.00 -0.13 0.00 0.00 32.58 33.38 3hov s HIS 744 CO 0.76 -0.17 1.71 -1.00 -2.47 0.00 0.00 174.74 173.57 3hov h PRO 745 N 6.58 0.38 0.00 2.88 0.13 -1.89 -1.37 132.00 138.72 3hov h PRO 745 Ca -0.19 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3hov h PRO 745 Cb 1.14 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3hov h PRO 745 CO 0.13 0.25 0.61 0.66 -0.23 0.00 0.00 178.00 179.42 3hov h SER 746 N 0.39 0.00 -0.19 1.44 4.64 -1.97 0.17 113.55 118.03 3hov h SER 746 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 3hov h SER 746 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3hov h SER 746 CO -0.46 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.73 3hov n MET 747 N -1.96 1.61 0.15 4.77 2.81 -0.52 -3.06 117.12 120.93 3hov n MET 747 Ca -0.00 -0.77 0.03 0.00 -1.81 0.00 0.00 57.70 55.15 3hov n MET 747 Cb 0.62 -1.29 0.06 0.00 -0.71 0.00 0.00 33.22 31.90 3hov n MET 747 CO 0.00 0.00 0.00 -0.84 1.51 0.00 0.00 175.97 176.64 3hov h ILE 748 N 1.17 0.81 -3.49 2.02 3.07 -0.89 -3.36 117.51 116.83 3hov h ILE 748 Ca 0.00 -2.09 -0.42 0.00 1.55 0.00 0.00 64.86 63.91 3hov h ILE 748 Cb 0.42 2.36 0.19 0.00 -0.27 0.00 0.00 36.82 39.52 3hov h ILE 748 CO 0.03 0.45 0.11 -0.76 -1.05 0.00 0.00 178.15 176.93 3hov s LEU 749 N -6.48 0.62 0.11 0.16 1.43 -1.17 -4.05 118.68 109.29 3hov s LEU 749 Ca 0.04 0.73 0.04 0.00 -1.03 0.00 0.00 54.13 53.90 3hov s LEU 749 Cb 0.08 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 3hov s LEU 749 CO 0.73 -4.15 -0.10 -0.83 0.23 0.00 0.00 176.35 172.23 3hov s GLY 750 N -3.74 0.88 0.05 -3.19 0.00 -1.26 -1.32 107.32 98.73 3hov s GLY 750 Ca 0.70 -1.25 -0.09 0.00 0.00 0.00 0.00 44.72 44.08 3hov s GLY 750 CO 0.57 -1.33 0.46 -0.62 0.00 0.00 0.00 173.10 172.18 3hov n VAL 751 N 0.41 -0.19 0.00 1.40 0.31 -1.26 -0.80 118.33 118.19 3hov n VAL 751 Ca -0.15 0.72 -0.00 0.00 -0.01 0.00 0.00 64.34 64.90 3hov n VAL 751 Cb 0.58 -0.90 -0.00 0.00 -0.91 0.00 0.00 33.84 32.61 3hov n VAL 751 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hov h ALA 752 N 0.12 -0.46 -0.52 3.52 0.00 -1.90 -1.65 119.26 118.36 3hov h ALA 752 Ca 0.05 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.11 3hov h ALA 752 Cb 0.12 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3hov h ALA 752 CO -0.27 -0.47 0.48 0.00 0.00 0.00 0.00 179.25 178.99 3hov h ALA 753 N -1.43 2.32 0.00 0.00 0.00 -1.40 -2.02 119.26 116.73 3hov h ALA 753 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hov h ALA 753 Cb 0.01 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hov h ALA 753 CO -0.01 -0.75 0.00 0.43 0.00 0.00 0.00 179.25 178.93 3hov n SER 754 N -3.93 0.18 0.01 0.00 7.64 0.02 -1.44 113.62 116.10 3hov n SER 754 Ca 0.10 0.57 0.11 0.00 1.01 0.00 0.00 58.87 60.65 3hov n SER 754 Cb 0.69 -0.60 -0.05 0.00 -1.01 0.00 0.00 64.21 63.24 3hov n SER 754 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3hov n ILE 755 N -1.72 0.05 -2.13 0.44 5.41 -0.76 -4.41 119.36 116.25 3hov n ILE 755 Ca 0.01 -0.16 -0.42 0.00 1.00 0.00 0.00 62.75 63.18 3hov n ILE 755 Cb 0.08 0.52 -0.03 0.00 -0.71 0.00 0.00 39.64 39.50 3hov n ILE 755 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3hov s ILE 756 N -3.15 3.56 0.15 1.39 1.01 -0.52 -4.87 121.20 118.77 3hov s ILE 756 Ca 0.04 0.91 -0.30 0.00 0.00 0.00 0.00 60.65 61.30 3hov s ILE 756 Cb 0.15 -3.58 -0.07 0.00 0.01 0.00 0.00 42.46 38.97 3hov s ILE 756 CO 0.84 -0.02 0.95 -2.16 0.00 0.00 0.00 174.94 174.55 3hov s PRO 757 N 2.77 4.74 -1.33 2.79 0.04 -1.26 -3.94 135.00 138.80 3hov s PRO 757 Ca 0.67 1.45 -0.09 0.00 0.04 0.00 0.00 61.00 63.07 3hov s PRO 757 Cb -0.33 -3.35 0.06 0.00 0.04 0.00 0.00 34.50 30.92 3hov s PRO 757 CO 0.28 0.31 0.52 1.19 0.04 0.00 0.00 177.00 179.34 3hov n PHE 758 N 2.40 -1.83 0.12 0.56 0.99 0.02 -4.81 117.46 114.91 3hov n PHE 758 Ca 0.01 0.49 0.04 0.00 -0.00 0.00 0.00 57.45 57.99 3hov n PHE 758 Cb 0.49 -3.21 0.23 0.00 -1.00 0.00 0.00 39.48 35.98 3hov n PHE 758 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3hov n PRO 759 N -3.80 0.06 -0.81 -1.08 -0.04 -1.25 -0.19 135.00 127.88 3hov n PRO 759 Ca -0.03 0.48 -0.15 0.00 -0.04 0.00 0.00 63.50 63.76 3hov n PRO 759 Cb 0.55 -2.03 0.13 0.00 -0.04 0.00 0.00 33.50 32.12 3hov n PRO 759 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3hov n ASP 760 N -1.81 3.56 -0.24 3.54 5.75 -1.26 -3.45 116.55 122.63 3hov n ASP 760 Ca -0.01 -3.05 0.00 0.00 -0.01 0.00 0.00 54.79 51.72 3hov n ASP 760 Cb 0.35 -0.72 0.00 0.00 -1.03 0.00 0.00 41.12 39.72 3hov n ASP 760 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3hov n HIS 761 N -0.53 0.00 -4.33 2.11 8.25 0.73 -5.09 115.22 116.36 3hov n HIS 761 Ca 0.39 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.57 3hov n HIS 761 Cb 1.27 0.03 -0.10 0.00 1.12 0.00 0.00 29.99 32.30 3hov n HIS 761 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3hov s ASN 762 N -0.37 3.95 -0.05 0.41 0.01 -1.22 -3.03 114.94 114.64 3hov s ASN 762 Ca 0.00 -0.65 -0.30 0.00 -0.71 0.00 0.00 52.86 51.20 3hov s ASN 762 Cb 0.00 -0.55 -0.05 0.00 0.41 0.00 0.00 41.25 41.06 3hov s ASN 762 CO 0.00 0.13 1.50 -1.58 -1.51 0.00 0.00 177.10 175.64 3hov s GLN 763 N -2.63 4.22 0.01 -0.60 0.74 -1.03 -4.88 119.66 115.49 3hov s GLN 763 Ca 0.22 2.03 -0.02 0.00 0.05 0.00 0.00 55.36 57.64 3hov s GLN 763 Cb -0.09 -3.80 -0.00 0.00 1.10 0.00 0.00 33.01 30.22 3hov s GLN 763 CO 0.13 -0.73 0.09 0.45 -0.55 0.00 0.00 175.29 174.67 3hov n SER 764 N 6.42 -0.06 0.27 6.67 2.88 -1.26 0.17 113.62 128.70 3hov n SER 764 Ca 0.15 0.10 0.11 0.00 -1.33 0.00 0.00 58.87 57.91 3hov n SER 764 Cb 0.43 -0.01 0.72 0.00 -0.75 0.00 0.00 64.21 64.60 3hov n SER 764 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3hov h PRO 765 N 0.00 0.00 -0.55 -1.46 0.13 -1.99 -2.53 132.00 125.60 3hov h PRO 765 Ca 0.01 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.18 3hov h PRO 765 Cb 0.02 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.12 3hov h PRO 765 CO -0.05 0.07 0.37 0.00 -0.23 0.00 0.00 178.00 178.15 3hov h ARG 766 N 0.00 0.56 0.00 0.86 2.47 -0.64 -0.19 114.38 117.44 3hov h ARG 766 Ca -0.00 -0.03 -0.10 0.00 -1.26 0.00 0.00 59.98 58.58 3hov h ARG 766 Cb 0.16 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 3hov h ARG 766 CO 0.01 0.37 -0.48 -0.91 0.56 0.00 0.00 179.97 179.52 3hov h ASN 767 N 0.58 0.00 0.38 7.04 2.35 -1.56 -2.79 115.58 121.59 3hov h ASN 767 Ca 0.23 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.90 3hov h ASN 767 Cb 0.18 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 3hov h ASN 767 CO -0.06 0.48 -0.36 0.74 -1.65 0.00 0.00 177.43 176.58 3hov h THR 768 N 0.00 1.22 0.11 2.81 2.02 -1.09 -2.53 112.91 115.45 3hov h THR 768 Ca -0.00 -1.23 -0.01 0.00 0.77 0.00 0.00 66.41 65.94 3hov h THR 768 Cb 0.89 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 3hov h THR 768 CO 0.06 0.35 -0.05 1.88 0.37 0.00 0.00 175.52 178.13 3hov h TYR 769 N 0.00 -0.13 -0.58 3.16 0.99 -1.28 -3.16 116.97 115.98 3hov h TYR 769 Ca -0.00 -0.00 0.17 0.00 2.00 0.00 0.00 58.73 60.89 3hov h TYR 769 Cb 0.64 0.04 -0.02 0.00 1.00 0.00 0.00 36.73 38.39 3hov h TYR 769 CO 0.00 -0.08 0.83 0.37 -0.00 0.00 0.00 178.16 179.27 3hov h GLN 770 N -0.32 0.00 -0.17 4.88 5.75 -1.58 1.05 115.11 124.72 3hov h GLN 770 Ca -0.01 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.34 3hov h GLN 770 Cb 0.11 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 3hov h GLN 770 CO 0.02 0.00 -0.53 0.77 -2.65 0.00 0.00 178.83 176.45 3hov h SER 771 N 0.00 0.53 0.27 -0.69 0.02 -1.45 -2.15 113.55 110.07 3hov h SER 771 Ca 0.27 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hov h SER 771 Cb 1.92 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 64.31 3hov h SER 771 CO -0.00 0.96 -1.16 0.00 -1.14 0.00 0.00 176.83 175.48 3hov n ALA 772 N -2.50 3.62 0.08 3.77 0.00 0.35 -4.30 120.51 121.52 3hov n ALA 772 Ca -0.03 -0.47 -0.21 0.00 0.00 0.00 0.00 53.44 52.74 3hov n ALA 772 Cb 0.58 -0.89 -0.15 0.00 0.00 0.00 0.00 19.45 18.99 3hov n ALA 772 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3hov h MET 773 N 0.00 0.36 0.00 0.00 2.07 -1.09 -3.24 114.93 113.03 3hov h MET 773 Ca 0.00 -0.62 0.00 0.00 -2.07 0.00 0.00 59.70 57.01 3hov h MET 773 Cb 0.72 0.23 0.00 0.00 -1.87 0.00 0.00 31.60 30.68 3hov h MET 773 CO 0.00 1.26 0.28 0.78 1.07 0.00 0.00 176.91 180.30 3hov h GLY 774 N 0.98 0.00 1.42 8.32 0.00 -1.57 0.76 103.07 112.97 3hov h GLY 774 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3hov h GLY 774 CO 0.19 0.00 -0.09 0.28 0.00 0.00 0.00 176.54 176.92 3hov n LYS 775 N -2.81 0.35 -0.00 4.80 5.02 -1.22 -3.07 118.16 121.22 3hov n LYS 775 Ca -0.02 -0.07 0.07 0.00 -2.02 0.00 0.00 58.31 56.27 3hov n LYS 775 Cb 0.32 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.74 3hov n LYS 775 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3hov n GLN 776 N -1.26 1.56 -0.42 1.97 6.02 0.26 -4.79 117.38 120.72 3hov n GLN 776 Ca 0.12 -0.05 -0.28 0.00 -0.01 0.00 0.00 57.00 56.78 3hov n GLN 776 Cb 0.29 -1.25 0.24 0.00 1.02 0.00 0.00 30.24 30.53 3hov n GLN 776 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hov n ALA 777 N -1.58 -3.58 -2.46 -1.58 0.00 -1.01 -1.51 120.51 108.79 3hov n ALA 777 Ca 0.01 -1.49 -0.26 0.00 0.00 0.00 0.00 53.44 51.70 3hov n ALA 777 Cb 0.29 -1.52 -0.15 0.00 0.00 0.00 0.00 19.45 18.07 3hov n ALA 777 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3hov s MET 778 N -4.30 1.51 0.00 0.00 1.75 -1.18 -4.58 119.30 112.50 3hov s MET 778 Ca 0.59 -0.78 0.00 0.00 -1.25 0.00 0.00 55.69 54.26 3hov s MET 778 Cb -0.14 -1.51 0.00 0.00 2.84 0.00 0.00 34.83 36.01 3hov s MET 778 CO 0.55 0.41 0.00 0.41 -0.65 0.00 0.00 175.02 175.74 3hov n GLY 779 N 2.35 1.87 2.48 2.11 0.00 -1.26 -3.83 105.19 108.91 3hov n GLY 779 Ca -0.16 0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 3hov n GLY 779 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hov s VAL 780 N 1.92 0.69 0.57 1.61 1.01 -1.25 -0.58 120.40 124.37 3hov s VAL 780 Ca 0.00 -2.76 0.26 0.00 0.00 0.00 0.00 61.98 59.48 3hov s VAL 780 Cb 0.00 -1.48 0.36 0.00 0.00 0.00 0.00 36.38 35.26 3hov s VAL 780 CO 0.00 -1.17 2.08 2.19 0.00 0.00 0.00 175.10 178.20 3hov h PHE 781 N 5.78 0.00 -2.72 5.22 -5.15 -1.85 -3.40 116.94 114.82 3hov h PHE 781 Ca 0.22 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.99 3hov h PHE 781 Cb 0.90 0.00 -0.14 0.00 0.22 0.00 0.00 35.95 36.93 3hov h PHE 781 CO 0.34 0.00 0.25 -0.51 -2.00 0.00 0.00 178.31 176.40 3hov s LEU 782 N -8.05 -0.55 0.00 2.10 1.43 -1.26 -4.33 118.68 108.02 3hov s LEU 782 Ca -0.05 0.12 0.27 0.00 -1.03 0.00 0.00 54.13 53.44 3hov s LEU 782 Cb 0.16 2.49 0.81 0.00 0.03 0.00 0.00 46.19 49.69 3hov s LEU 782 CO 0.61 -0.85 1.61 0.35 0.23 0.00 0.00 176.35 178.30 3hov n THR 783 N -0.14 0.00 -0.72 5.49 -2.24 -1.26 -3.63 114.28 111.77 3hov n THR 783 Ca -0.16 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3hov n THR 783 Cb 0.63 0.09 0.31 0.00 -2.10 0.00 0.00 70.33 69.27 3hov n THR 783 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3hov n ASN 784 N -1.22 4.85 -0.06 3.42 6.94 -1.26 -4.47 115.26 123.45 3hov n ASN 784 Ca 0.09 -2.94 0.10 0.00 -0.02 0.00 0.00 54.58 51.81 3hov n ASN 784 Cb 0.33 -0.69 0.49 0.00 -2.36 0.00 0.00 39.78 37.54 3hov n ASN 784 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 3hov h TYR 785 N 2.95 0.44 -0.37 -2.53 -0.00 -1.96 0.11 116.97 115.62 3hov h TYR 785 Ca 0.12 0.01 0.11 0.00 0.00 0.00 0.00 58.73 58.97 3hov h TYR 785 Cb 1.98 -0.15 -0.01 0.00 0.00 0.00 0.00 36.73 38.55 3hov h TYR 785 CO 1.06 0.22 0.30 -0.97 -0.00 0.00 0.00 178.16 178.77 3hov h ASN 786 N 0.43 0.00 -0.31 0.10 -1.24 -1.90 -2.24 115.58 110.41 3hov h ASN 786 Ca 0.25 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.26 3hov h ASN 786 Cb 0.43 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.48 3hov h ASN 786 CO -0.07 0.00 0.00 0.52 -1.29 0.00 0.00 177.43 176.59 3hov n VAL 787 N -4.18 0.46 -4.04 2.57 0.31 0.38 -4.99 118.33 108.84 3hov n VAL 787 Ca 0.06 -0.73 -0.31 0.00 -0.01 0.00 0.00 64.34 63.35 3hov n VAL 787 Cb 0.48 1.00 -0.06 0.00 -0.91 0.00 0.00 33.84 34.35 3hov n VAL 787 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3hov s ARG 788 N -1.40 3.05 -0.44 5.55 0.52 -0.84 -5.03 118.95 120.36 3hov s ARG 788 Ca 0.33 -0.57 0.04 0.00 -0.52 0.00 0.00 55.73 55.01 3hov s ARG 788 Cb 0.20 -2.83 0.43 0.00 0.52 0.00 0.00 34.95 33.27 3hov s ARG 788 CO 0.28 0.60 1.32 -1.33 0.02 0.00 0.00 175.30 176.18 3hov n MET 789 N 0.66 3.37 -2.52 3.54 2.81 -1.26 -5.03 117.12 118.69 3hov n MET 789 Ca -0.09 -4.17 -0.40 0.00 -1.81 0.00 0.00 57.70 51.22 3hov n MET 789 Cb 0.52 -2.27 -0.05 0.00 -0.71 0.00 0.00 33.22 30.72 3hov n MET 789 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 3hov s ASP 790 N -3.16 7.32 0.05 7.83 3.84 -1.26 -4.82 116.67 126.47 3hov s ASP 790 Ca 0.51 2.21 -0.30 0.00 -0.00 0.00 0.00 52.55 54.97 3hov s ASP 790 Cb 0.42 -2.62 -0.09 0.00 -1.38 0.00 0.00 42.92 39.25 3hov s ASP 790 CO -0.11 -0.10 1.84 0.42 -0.00 0.00 0.00 175.17 177.22 3hov s THR 791 N -1.18 2.97 0.50 2.11 -4.23 -1.26 -3.81 115.64 110.74 3hov s THR 791 Ca 0.44 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 61.15 3hov s THR 791 Cb -0.31 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.41 3hov s THR 791 CO 0.39 -0.01 0.00 0.23 -0.54 0.00 0.00 174.62 174.69 3hov n MET 792 N 6.69 -4.33 0.00 3.99 0.00 -1.15 -4.80 117.12 117.51 3hov n MET 792 Ca 0.18 3.23 0.00 0.00 0.00 0.00 0.00 57.70 61.11 3hov n MET 792 Cb 0.40 -3.65 0.00 0.00 0.00 0.00 0.00 33.22 29.98 3hov n MET 792 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3hov n ALA 793 N -0.94 0.00 -2.45 3.04 0.00 0.61 -4.89 120.51 115.88 3hov n ALA 793 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 3hov n ALA 793 Cb 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.30 3hov n ALA 793 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3hov s ASN 794 N 0.00 2.83 -0.04 0.00 0.01 -1.26 -0.55 114.94 115.92 3hov s ASN 794 Ca 0.00 -0.44 0.03 0.00 -0.71 0.00 0.00 52.86 51.73 3hov s ASN 794 Cb 0.00 -0.42 0.01 0.00 0.41 0.00 0.00 41.25 41.25 3hov s ASN 794 CO 0.00 0.28 -0.11 -0.63 -1.51 0.00 0.00 177.10 175.13 3hov s ILE 795 N -0.46 0.98 -0.16 0.60 1.09 -1.14 -4.27 121.20 117.84 3hov s ILE 795 Ca 0.06 -0.43 -0.29 0.00 -1.10 0.00 0.00 60.65 58.90 3hov s ILE 795 Cb -0.10 -0.88 -0.00 0.00 -1.06 0.00 0.00 42.46 40.41 3hov s ILE 795 CO 0.00 0.31 0.99 -0.22 -0.10 0.00 0.00 174.94 175.92 3hov s LEU 796 N 0.41 4.18 0.00 2.97 2.96 0.25 0.04 118.68 129.50 3hov s LEU 796 Ca -0.08 1.43 0.00 0.00 -0.22 0.00 0.00 54.13 55.25 3hov s LEU 796 Cb -0.12 -3.50 0.00 0.00 0.50 0.00 0.00 46.19 43.06 3hov s LEU 796 CO 0.02 -0.52 0.91 -1.22 -1.32 0.00 0.00 176.35 174.22 3hov n TYR 797 N 5.51 0.00 -3.90 5.38 4.02 -0.71 -3.93 117.16 123.53 3hov n TYR 797 Ca 0.09 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.68 3hov n TYR 797 Cb 0.48 -0.43 -0.13 0.00 -0.02 0.00 0.00 39.34 39.24 3hov n TYR 797 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3hov s TYR 798 N -2.78 3.33 0.40 -0.72 4.12 -1.26 -5.09 117.35 115.36 3hov s TYR 798 Ca 0.00 -3.16 -0.25 0.00 0.02 0.00 0.00 57.07 53.68 3hov s TYR 798 Cb 0.00 -2.86 -0.08 0.00 -1.52 0.00 0.00 41.96 37.50 3hov s TYR 798 CO 0.00 -0.70 1.14 -2.14 0.02 0.00 0.00 175.55 173.87 3hov s PRO 799 N -0.61 4.06 0.08 -1.71 0.02 -1.25 -4.91 135.00 130.68 3hov s PRO 799 Ca 0.19 1.76 0.07 0.00 0.02 0.00 0.00 61.00 63.04 3hov s PRO 799 Cb -0.19 -2.63 -0.03 0.00 0.02 0.00 0.00 34.50 31.67 3hov s PRO 799 CO -0.05 -0.30 -0.18 -0.65 -0.33 0.00 0.00 177.00 175.50 3hov s GLN 800 N -2.36 1.03 0.38 5.54 -0.21 -1.07 -5.03 119.66 117.94 3hov s GLN 800 Ca 0.58 -1.03 -0.15 0.00 0.02 0.00 0.00 55.36 54.78 3hov s GLN 800 Cb -0.29 -1.17 -0.09 0.00 1.00 0.00 0.00 33.01 32.47 3hov s GLN 800 CO 0.36 0.27 0.80 -1.59 -2.12 0.00 0.00 175.29 173.02 3hov s LYS 801 N -1.69 3.98 0.40 2.91 -2.85 -1.26 -4.58 119.74 116.66 3hov s LYS 801 Ca 0.03 0.73 -0.26 0.00 -1.00 0.00 0.00 55.97 55.47 3hov s LYS 801 Cb -0.10 -2.35 -0.08 0.00 -2.06 0.00 0.00 37.83 33.24 3hov s LYS 801 CO 0.03 0.04 1.25 -1.25 0.10 0.00 0.00 175.35 175.52 3hov s PRO 802 N -3.32 3.99 0.08 1.78 0.04 -1.26 -4.81 135.00 131.49 3hov s PRO 802 Ca 0.55 2.03 -0.19 0.00 0.04 0.00 0.00 61.00 63.43 3hov s PRO 802 Cb -0.10 -2.72 -0.09 0.00 0.04 0.00 0.00 34.50 31.63 3hov s PRO 802 CO 0.21 -0.43 1.50 -0.07 0.04 0.00 0.00 177.00 178.25 3hov h LEU 803 N 2.65 0.41 -9.32 -3.56 3.38 -1.94 -3.41 115.31 103.53 3hov h LEU 803 Ca -0.49 -0.32 -0.58 0.00 0.09 0.00 0.00 57.88 56.57 3hov h LEU 803 Cb 1.24 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.80 3hov h LEU 803 CO 0.62 0.64 -0.19 -0.83 0.09 0.00 0.00 178.44 178.77 3hov s GLY 804 N -3.14 2.34 0.20 0.83 0.00 -1.26 -1.40 107.32 104.88 3hov s GLY 804 Ca -0.14 -0.26 0.01 0.00 0.00 0.00 0.00 44.72 44.33 3hov s GLY 804 CO 0.74 0.69 0.04 2.41 0.00 0.00 0.00 173.10 176.99 3hov n THR 805 N 3.66 0.00 -4.79 0.90 -1.04 0.05 -4.83 114.28 108.24 3hov n THR 805 Ca -0.08 -1.06 -0.24 0.00 -2.04 0.00 0.00 64.05 60.62 3hov n THR 805 Cb 0.52 0.33 -0.15 0.00 -1.82 0.00 0.00 70.33 69.20 3hov n THR 805 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3hov s THR 806 N -2.09 1.35 0.39 12.58 2.01 -1.26 -0.60 115.64 128.02 3hov s THR 806 Ca 0.06 -0.77 0.16 0.00 0.31 0.00 0.00 61.69 61.45 3hov s THR 806 Cb 0.00 -1.13 0.15 0.00 0.01 0.00 0.00 72.50 71.53 3hov s THR 806 CO 0.04 0.35 1.90 0.03 -0.69 0.00 0.00 174.62 176.26 3hov h ARG 807 N 5.63 0.00 -0.13 4.92 2.47 -1.95 -1.39 114.38 123.93 3hov h ARG 807 Ca -0.37 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.26 3hov h ARG 807 Cb 1.15 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.46 3hov h ARG 807 CO 0.48 0.29 -0.31 0.00 0.56 0.00 0.00 179.97 180.98 3hov h ALA 808 N 1.71 1.23 -0.06 0.04 0.00 -1.94 -3.21 119.26 117.04 3hov h ALA 808 Ca -0.00 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.60 3hov h ALA 808 Cb 0.54 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 3hov h ALA 808 CO 0.04 0.51 -0.30 0.52 0.00 0.00 0.00 179.25 180.02 3hov h MET 809 N 0.22 -0.40 -0.44 0.00 2.86 -1.45 -2.79 114.93 112.92 3hov h MET 809 Ca 0.03 0.03 0.17 0.00 -2.06 0.00 0.00 59.70 57.87 3hov h MET 809 Cb 0.67 0.09 -0.08 0.00 0.06 0.00 0.00 31.60 32.34 3hov h MET 809 CO 0.05 -0.27 0.17 -1.91 1.06 0.00 0.00 176.91 176.01 3hov n GLU 810 N -5.40 -0.03 0.11 1.72 2.13 -1.21 0.22 120.64 118.18 3hov n GLU 810 Ca -0.04 0.63 0.07 0.00 0.66 0.00 0.00 57.16 58.48 3hov n GLU 810 Cb 0.32 -1.09 0.02 0.00 0.27 0.00 0.00 31.44 30.96 3hov n GLU 810 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 3hov h TYR 811 N 0.00 0.00 0.00 4.31 -1.99 -1.71 -3.27 116.97 114.31 3hov h TYR 811 Ca 0.35 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.08 3hov h TYR 811 Cb 0.87 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.60 3hov h TYR 811 CO -0.07 0.25 -0.11 1.28 -0.00 0.00 0.00 178.16 179.51 3hov n LEU 812 N -2.92 0.59 -0.10 3.88 4.77 0.58 -4.92 117.00 118.87 3hov n LEU 812 Ca -0.01 0.48 -0.01 0.00 -0.03 0.00 0.00 56.01 56.43 3hov n LEU 812 Cb 0.66 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 3hov n LEU 812 CO 0.40 -0.10 -0.01 0.29 -1.33 0.00 0.00 177.39 176.63 3hov n LYS 813 N -2.02 -0.12 -0.03 3.23 4.76 -0.61 -4.79 118.16 118.59 3hov n LYS 813 Ca 0.06 0.48 -0.09 0.00 -2.87 0.00 0.00 58.31 55.88 3hov n LYS 813 Cb 0.40 -3.98 -0.03 0.00 -1.84 0.00 0.00 35.03 29.59 3hov n LYS 813 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3hov h PHE 814 N 0.00 0.01 0.00 2.13 3.57 -1.84 -2.02 116.94 118.79 3hov h PHE 814 Ca -0.03 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3hov h PHE 814 Cb 0.10 0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.86 3hov h PHE 814 CO 0.04 -0.02 0.00 0.00 -2.23 0.00 0.00 178.31 176.11 3hov h ARG 815 N 0.07 0.00 0.00 1.11 3.08 -1.93 -0.93 114.38 115.78 3hov h ARG 815 Ca 0.08 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.90 3hov h ARG 815 Cb 0.10 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 3hov h ARG 815 CO -0.14 0.00 -1.79 0.39 -1.07 0.00 0.00 179.97 177.36 3hov n GLU 816 N -3.01 0.64 -3.21 0.04 4.71 -0.90 -4.54 120.64 114.39 3hov n GLU 816 Ca -0.02 0.15 -0.23 0.00 -0.01 0.00 0.00 57.16 57.04 3hov n GLU 816 Cb 0.09 -1.71 -0.06 0.00 -1.01 0.00 0.00 31.44 28.76 3hov n GLU 816 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3hov n LEU 817 N -2.84 1.17 -4.24 -4.62 4.77 -0.81 -5.10 117.00 105.32 3hov n LEU 817 Ca -0.17 -4.95 -0.31 0.00 -0.03 0.00 0.00 56.01 50.56 3hov n LEU 817 Cb 0.95 0.38 0.30 0.00 -2.33 0.00 0.00 43.42 42.72 3hov n LEU 817 CO 0.44 2.14 0.36 -0.81 -1.33 0.00 0.00 177.39 178.19 3hov n PRO 818 N 0.94 -4.73 -2.88 3.23 -0.04 -0.40 -4.68 135.00 126.45 3hov n PRO 818 Ca 0.24 -1.40 -0.12 0.00 -0.04 0.00 0.00 63.50 62.18 3hov n PRO 818 Cb 0.53 -1.95 0.05 0.00 -0.04 0.00 0.00 33.50 32.09 3hov n PRO 818 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hov n ALA 819 N -5.81 0.11 0.00 0.55 0.00 -1.26 -3.74 120.51 110.36 3hov n ALA 819 Ca 0.13 -2.09 0.00 0.00 0.00 0.00 0.00 53.44 51.48 3hov n ALA 819 Cb 0.60 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.96 3hov n ALA 819 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hov n GLY 820 N 0.40 -1.44 3.10 0.00 0.00 -1.25 -4.60 105.19 101.40 3hov n GLY 820 Ca 0.12 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.64 3hov n GLY 820 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hov s GLN 821 N -1.91 0.57 -0.56 1.61 -0.21 -0.75 -2.60 119.66 115.82 3hov s GLN 821 Ca 0.00 -0.81 -0.25 0.00 0.02 0.00 0.00 55.36 54.32 3hov s GLN 821 Cb 0.00 0.22 0.04 0.00 1.00 0.00 0.00 33.01 34.27 3hov s GLN 821 CO 0.00 -0.14 1.00 -0.80 -2.12 0.00 0.00 175.29 173.23 3hov s ASN 822 N -2.18 6.36 -0.05 5.90 0.01 -1.26 -1.04 114.94 122.68 3hov s ASN 822 Ca -0.04 -0.25 -0.02 0.00 -0.71 0.00 0.00 52.86 51.84 3hov s ASN 822 Cb -0.01 -2.46 -0.04 0.00 0.41 0.00 0.00 41.25 39.15 3hov s ASN 822 CO -0.05 -1.28 0.07 0.00 -1.51 0.00 0.00 177.10 174.32 3hov s ALA 823 N 4.17 3.55 -0.58 0.60 0.00 -0.81 -4.82 121.76 123.87 3hov s ALA 823 Ca 0.33 -0.81 -0.27 0.00 0.00 0.00 0.00 51.96 51.21 3hov s ALA 823 Cb -0.11 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.39 3hov s ALA 823 CO 0.21 0.65 1.57 0.42 0.00 0.00 0.00 175.76 178.60 3hov s ILE 824 N -1.07 3.62 -0.03 0.00 -1.09 -1.26 -2.07 121.20 119.30 3hov s ILE 824 Ca 0.19 0.48 -0.12 0.00 -2.23 0.00 0.00 60.65 58.96 3hov s ILE 824 Cb -0.12 -4.28 -0.05 0.00 -1.58 0.00 0.00 42.46 36.43 3hov s ILE 824 CO 0.09 -1.11 0.33 -0.69 -1.23 0.00 0.00 174.94 172.33 3hov s VAL 825 N 7.00 5.17 -0.03 2.92 1.01 -0.71 0.15 120.40 135.91 3hov s VAL 825 Ca 0.57 0.62 0.06 0.00 0.00 0.00 0.00 61.98 63.24 3hov s VAL 825 Cb -0.12 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 3hov s VAL 825 CO 0.23 0.56 -0.22 0.00 0.00 0.00 0.00 175.10 175.68 3hov s ALA 826 N -1.10 1.83 -0.72 5.51 0.00 -1.06 -2.46 121.76 123.76 3hov s ALA 826 Ca 0.22 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 51.21 3hov s ALA 826 Cb -0.15 -0.50 0.19 0.00 0.00 0.00 0.00 23.12 22.66 3hov s ALA 826 CO 0.11 0.42 0.57 0.42 0.00 0.00 0.00 175.76 177.29 3hov s ILE 827 N -0.40 4.24 0.17 0.00 1.01 -1.03 -1.39 121.20 123.80 3hov s ILE 827 Ca 0.05 -3.03 -0.15 0.00 0.00 0.00 0.00 60.65 57.52 3hov s ILE 827 Cb -0.09 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.70 3hov s ILE 827 CO 0.00 -0.95 0.43 0.00 0.00 0.00 0.00 174.94 174.42 3hov s ALA 828 N -0.26 -0.71 0.09 9.38 0.00 -0.71 -4.36 121.76 125.18 3hov s ALA 828 Ca 0.19 -0.34 -0.20 0.00 0.00 0.00 0.00 51.96 51.62 3hov s ALA 828 Cb -0.16 0.80 -0.07 0.00 0.00 0.00 0.00 23.12 23.69 3hov s ALA 828 CO -0.06 -0.72 0.59 0.00 0.00 0.00 0.00 175.76 175.57 3hov n TYR 830 N 1.65 0.00 0.54 0.00 9.36 -1.26 -4.89 117.16 122.55 3hov n TYR 830 Ca -0.10 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.23 3hov n TYR 830 Cb 0.51 0.00 0.43 0.00 -0.63 0.00 0.00 39.34 39.64 3hov n TYR 830 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3hov n SER 831 N 0.00 0.35 0.00 2.98 3.41 -1.26 -4.81 113.62 114.29 3hov n SER 831 Ca 0.00 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 3hov n SER 831 Cb 0.00 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 3hov n SER 831 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hov n GLY 832 N 0.33 0.62 0.77 5.00 0.00 -1.26 -4.93 105.19 105.71 3hov n GLY 832 Ca 0.04 -0.53 0.12 0.00 0.00 0.00 0.00 46.02 45.64 3hov n GLY 832 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hov n TYR 833 N -2.65 0.00 -0.76 1.61 4.02 -1.26 -4.10 117.16 114.02 3hov n TYR 833 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.97 3hov n TYR 833 Cb 0.00 -0.00 0.24 0.00 -0.02 0.00 0.00 39.34 39.56 3hov n TYR 833 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 3hov n ASN 834 N 0.79 3.69 -4.76 7.72 6.94 -1.26 -4.42 115.26 123.96 3hov n ASN 834 Ca 0.12 -2.72 -0.31 0.00 -0.02 0.00 0.00 54.58 51.65 3hov n ASN 834 Cb 0.55 -0.46 0.10 0.00 -2.36 0.00 0.00 39.78 37.60 3hov n ASN 834 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 3hov s GLN 835 N -2.30 2.11 -1.43 -3.83 0.74 -1.26 -3.70 119.66 109.99 3hov s GLN 835 Ca 0.37 1.04 -0.01 0.00 0.05 0.00 0.00 55.36 56.82 3hov s GLN 835 Cb 0.28 -1.89 0.00 0.00 1.10 0.00 0.00 33.01 32.50 3hov s GLN 835 CO 0.11 -1.71 0.34 0.39 -0.55 0.00 0.00 175.29 173.87 3hov n GLU 836 N -3.55 -2.75 -3.27 1.67 -0.58 -1.26 -2.93 120.64 107.97 3hov n GLU 836 Ca 0.08 0.34 -0.17 0.00 -0.42 0.00 0.00 57.16 56.99 3hov n GLU 836 Cb 0.54 -4.31 0.06 0.00 -0.57 0.00 0.00 31.44 27.16 3hov n GLU 836 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3hov n ASP 837 N -2.95 -5.17 -4.17 1.62 8.00 -1.26 -5.01 116.55 107.61 3hov n ASP 837 Ca -0.31 -0.38 -0.14 0.00 0.71 0.00 0.00 54.79 54.67 3hov n ASP 837 Cb 0.69 -3.78 -0.11 0.00 -0.02 0.00 0.00 41.12 37.91 3hov n ASP 837 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3hov s SER 838 N -3.21 1.36 0.23 -2.24 1.04 -1.15 -3.17 113.70 106.56 3hov s SER 838 Ca 0.42 -0.83 0.06 0.00 0.48 0.00 0.00 55.95 56.08 3hov s SER 838 Cb -0.18 0.03 -0.05 0.00 0.10 0.00 0.00 66.02 65.91 3hov s SER 838 CO 0.51 -0.30 -0.08 0.00 0.98 0.00 0.00 173.24 174.36 3hov s MET 839 N -2.90 1.39 -0.17 4.02 0.23 0.64 -3.98 119.30 118.54 3hov s MET 839 Ca 0.06 -1.67 -0.14 0.00 -1.03 0.00 0.00 55.69 52.91 3hov s MET 839 Cb -0.02 -0.97 -0.05 0.00 -1.53 0.00 0.00 34.83 32.27 3hov s MET 839 CO -0.01 0.05 0.31 0.42 -2.03 0.00 0.00 175.02 173.76 3hov s ILE 840 N -3.13 5.29 -0.07 3.16 1.01 -0.83 -1.53 121.20 125.10 3hov s ILE 840 Ca 0.26 0.56 0.03 0.00 0.00 0.00 0.00 60.65 61.50 3hov s ILE 840 Cb 0.03 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 3hov s ILE 840 CO 0.08 0.36 -0.17 -0.32 0.00 0.00 0.00 174.94 174.90 3hov s MET 841 N 0.63 2.76 0.17 2.79 1.75 -1.01 -0.91 119.30 125.49 3hov s MET 841 Ca 0.17 -0.76 -0.32 0.00 -1.25 0.00 0.00 55.69 53.53 3hov s MET 841 Cb -0.13 -2.38 -0.11 0.00 2.84 0.00 0.00 34.83 35.04 3hov s MET 841 CO 0.05 0.44 1.78 -1.71 -0.65 0.00 0.00 175.02 174.92 3hov n ASN 842 N 2.84 4.06 -0.06 1.11 5.15 0.24 -1.99 115.26 126.62 3hov n ASN 842 Ca -0.17 1.03 -0.14 0.00 -0.60 0.00 0.00 54.58 54.69 3hov n ASN 842 Cb 0.52 -1.57 -0.12 0.00 -0.53 0.00 0.00 39.78 38.08 3hov n ASN 842 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 3hov h GLN 843 N 7.63 0.02 -0.74 1.20 5.75 0.33 -2.89 115.11 126.41 3hov h GLN 843 Ca -0.45 -0.02 0.16 0.00 -0.15 0.00 0.00 58.65 58.19 3hov h GLN 843 Cb 1.21 0.01 -0.13 0.00 1.07 0.00 0.00 27.48 29.63 3hov h GLN 843 CO 0.96 0.91 -0.09 0.77 -2.65 0.00 0.00 178.83 178.73 3hov h SER 844 N -0.87 -0.51 -0.76 -0.69 0.02 -1.91 0.78 113.55 109.61 3hov h SER 844 Ca -0.00 0.21 0.09 0.00 -0.84 0.00 0.00 61.79 61.24 3hov h SER 844 Cb 0.92 0.39 -0.07 0.00 0.14 0.00 0.00 62.40 63.79 3hov h SER 844 CO 0.01 -0.21 0.41 0.28 -1.14 0.00 0.00 176.83 176.18 3hov h SER 845 N 0.05 0.58 0.02 3.07 0.02 -1.90 0.18 113.55 115.56 3hov h SER 845 Ca 0.38 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.33 3hov h SER 845 Cb 0.63 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 3hov h SER 845 CO -0.70 0.34 -0.13 0.40 -1.14 0.00 0.00 176.83 175.59 3hov h ILE 846 N 0.71 1.18 0.38 3.27 2.04 0.69 0.28 117.51 126.05 3hov h ILE 846 Ca 0.36 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 3hov h ILE 846 Cb 0.33 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3hov h ILE 846 CO -0.24 0.25 -0.18 0.44 0.00 0.00 0.00 178.15 178.41 3hov h ASP 847 N 0.23 -0.43 0.00 1.72 5.19 0.66 -2.61 116.42 121.18 3hov h ASP 847 Ca 0.05 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 3hov h ASP 847 Cb 0.38 0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.00 3hov h ASP 847 CO 0.02 -0.01 0.00 0.54 -3.12 0.00 0.00 179.24 176.67 3hov n ARG 848 N -5.15 0.00 -0.03 3.56 1.74 -0.11 -4.66 116.66 112.02 3hov n ARG 848 Ca -0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 3hov n ARG 848 Cb 0.28 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 3hov n ARG 848 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hov n GLY 849 N -0.54 0.36 3.64 -0.13 0.00 -0.98 -5.04 105.19 102.49 3hov n GLY 849 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.47 3hov n GLY 849 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hov n LEU 850 N 0.00 1.79 -1.91 0.99 7.94 0.98 -2.47 117.00 124.31 3hov n LEU 850 Ca 0.00 1.11 -0.18 0.00 -1.11 0.00 0.00 56.01 55.82 3hov n LEU 850 Cb 0.00 -1.14 -0.05 0.00 0.53 0.00 0.00 43.42 42.76 3hov n LEU 850 CO 0.00 -0.87 -0.20 0.49 -1.11 0.00 0.00 177.39 175.70 3hov n PHE 851 N 3.58 -0.55 -1.93 1.96 0.99 -1.26 -4.52 117.46 115.73 3hov n PHE 851 Ca 0.22 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 57.36 3hov n PHE 851 Cb 0.15 -3.39 0.01 0.00 -1.00 0.00 0.00 39.48 35.25 3hov n PHE 851 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3hov s ARG 852 N -4.20 3.50 0.16 -1.08 0.52 -1.03 -4.44 118.95 112.38 3hov s ARG 852 Ca 0.00 0.88 -0.04 0.00 -0.52 0.00 0.00 55.73 56.05 3hov s ARG 852 Cb 0.00 -2.07 -0.03 0.00 0.52 0.00 0.00 34.95 33.38 3hov s ARG 852 CO 0.00 -0.65 0.18 -1.54 0.02 0.00 0.00 175.30 173.31 3hov s SER 853 N -3.73 0.16 0.33 0.23 1.04 -0.74 -1.74 113.70 109.24 3hov s SER 853 Ca 0.57 -1.11 0.07 0.00 0.48 0.00 0.00 55.95 55.96 3hov s SER 853 Cb -0.12 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.35 3hov s SER 853 CO 0.48 -0.84 0.28 -0.76 0.98 0.00 0.00 173.24 173.38 3hov s LEU 854 N -3.04 3.61 -0.17 2.42 1.43 0.11 -0.78 118.68 122.25 3hov s LEU 854 Ca 0.25 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.81 3hov s LEU 854 Cb 0.05 -2.21 0.08 0.00 0.03 0.00 0.00 46.19 44.15 3hov s LEU 854 CO 0.04 -0.33 0.33 0.12 0.23 0.00 0.00 176.35 176.74 3hov s PHE 855 N -2.29 -0.59 -0.05 0.29 5.36 0.13 -2.88 117.98 117.94 3hov s PHE 855 Ca 0.40 1.10 0.04 0.00 -0.96 0.00 0.00 56.93 57.51 3hov s PHE 855 Cb -0.06 0.07 -0.03 0.00 -0.34 0.00 0.00 43.02 42.66 3hov s PHE 855 CO 0.26 -0.45 -0.15 -0.06 -1.46 0.00 0.00 175.22 173.36 3hov s PHE 856 N 2.50 2.68 -0.01 10.12 0.40 0.28 -0.88 117.98 133.06 3hov s PHE 856 Ca 0.02 -0.18 0.02 0.00 -0.60 0.00 0.00 56.93 56.19 3hov s PHE 856 Cb -0.13 -1.62 0.00 0.00 0.51 0.00 0.00 43.02 41.78 3hov s PHE 856 CO -0.11 0.17 -0.07 0.50 0.70 0.00 0.00 175.22 176.41 3hov s ARG 857 N -0.72 0.66 -0.25 0.44 3.52 -0.95 -0.29 118.95 121.37 3hov s ARG 857 Ca 0.11 -0.23 0.01 0.00 -0.13 0.00 0.00 55.73 55.49 3hov s ARG 857 Cb -0.11 -0.65 0.04 0.00 -1.56 0.00 0.00 34.95 32.68 3hov s ARG 857 CO 0.00 0.10 -0.10 -1.12 -0.81 0.00 0.00 175.30 173.38 3hov s SER 858 N 0.08 4.24 0.49 -2.12 0.01 -1.25 -1.96 113.70 113.20 3hov s SER 858 Ca -0.01 -1.14 -0.10 0.00 1.31 0.00 0.00 55.95 56.01 3hov s SER 858 Cb -0.06 -1.58 -0.05 0.00 0.21 0.00 0.00 66.02 64.54 3hov s SER 858 CO -0.00 -0.15 0.87 -0.31 0.41 0.00 0.00 173.24 174.05 3hov s TYR 859 N 1.20 3.53 0.16 2.43 1.51 -0.19 -4.58 117.35 121.41 3hov s TYR 859 Ca -0.04 1.10 -0.10 0.00 -1.01 0.00 0.00 57.07 57.02 3hov s TYR 859 Cb -0.18 -2.52 -0.00 0.00 -0.11 0.00 0.00 41.96 39.15 3hov s TYR 859 CO -0.06 -0.33 0.30 1.41 -1.11 0.00 0.00 175.55 175.76 3hov s MET 860 N -4.45 1.14 -0.13 -0.62 1.75 -1.26 -0.96 119.30 114.77 3hov s MET 860 Ca 0.52 -1.11 -0.33 0.00 -1.25 0.00 0.00 55.69 53.52 3hov s MET 860 Cb -0.10 0.39 0.13 0.00 2.84 0.00 0.00 34.83 38.08 3hov s MET 860 CO 0.40 -0.42 1.13 0.34 -0.65 0.00 0.00 175.02 175.82 3hov s ASP 861 N -2.94 -0.19 0.32 1.11 3.68 -0.61 -5.01 116.67 113.03 3hov s ASP 861 Ca 0.15 -0.01 0.07 0.00 2.13 0.00 0.00 52.55 54.88 3hov s ASP 861 Cb 0.03 0.21 -0.03 0.00 -1.45 0.00 0.00 42.92 41.68 3hov s ASP 861 CO -0.02 -0.34 0.27 -1.10 0.13 0.00 0.00 175.17 174.11 3hov s GLN 862 N -2.61 1.73 -0.27 4.34 -0.21 -1.26 -1.62 119.66 119.75 3hov s GLN 862 Ca 0.09 -2.00 -0.06 0.00 0.02 0.00 0.00 55.36 53.41 3hov s GLN 862 Cb -0.01 0.32 0.00 0.00 1.00 0.00 0.00 33.01 34.33 3hov s GLN 862 CO -0.06 -0.64 0.05 -1.21 -2.12 0.00 0.00 175.29 171.31 3hov s GLU 863 N -3.48 3.19 0.80 2.91 2.02 -1.11 -5.00 118.70 118.03 3hov s GLU 863 Ca 0.41 -0.78 -0.15 0.00 0.02 0.00 0.00 54.97 54.47 3hov s GLU 863 Cb 0.03 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.98 3hov s GLU 863 CO 0.27 -0.36 0.63 1.63 0.02 0.00 0.00 175.26 177.45 3hov n LYS 864 N 4.85 0.15 -4.03 1.61 5.02 -1.26 -4.73 118.16 119.76 3hov n LYS 864 Ca -0.15 0.10 -0.17 0.00 -2.02 0.00 0.00 58.31 56.06 3hov n LYS 864 Cb 0.49 -1.96 -0.16 0.00 -0.02 0.00 0.00 35.03 33.38 3hov n LYS 864 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3hov s LYS 865 N -3.24 0.45 -0.12 1.97 2.36 -1.26 -3.32 119.74 116.58 3hov s LYS 865 Ca 0.65 -0.02 -0.01 0.00 -2.55 0.00 0.00 55.97 54.05 3hov s LYS 865 Cb -0.30 -0.54 -0.02 0.00 -1.05 0.00 0.00 37.83 35.91 3hov s LYS 865 CO 0.59 -0.07 -0.10 0.71 1.55 0.00 0.00 175.35 178.03 3hov s TYR 866 N 0.75 2.88 0.42 4.03 1.51 -0.47 -4.96 117.35 121.51 3hov s TYR 866 Ca -0.08 -0.39 0.26 0.00 -1.01 0.00 0.00 57.07 55.85 3hov s TYR 866 Cb -0.11 -1.83 1.35 0.00 -0.11 0.00 0.00 41.96 41.25 3hov s TYR 866 CO -0.01 -0.04 1.64 0.78 -1.11 0.00 0.00 175.55 176.82 3hov h GLY 867 N 6.33 1.45 -5.10 0.71 0.00 -2.01 0.72 103.07 105.17 3hov h GLY 867 Ca -0.33 -0.14 -0.61 0.00 0.00 0.00 0.00 47.33 46.25 3hov h GLY 867 CO 0.57 -0.41 1.75 1.03 0.00 0.00 0.00 176.54 179.47 3hov n MET 868 N -4.77 3.62 -3.10 4.80 2.00 -1.26 -4.86 117.12 113.56 3hov n MET 868 Ca 0.35 -2.77 -0.06 0.00 0.00 0.00 0.00 57.70 55.22 3hov n MET 868 Cb 1.31 -2.45 0.00 0.00 0.00 0.00 0.00 33.22 32.08 3hov n MET 868 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 3hov n SER 869 N 1.75 -0.79 -3.97 7.83 7.64 0.24 -4.94 113.62 121.38 3hov n SER 869 Ca 0.59 -0.19 -0.30 0.00 1.01 0.00 0.00 58.87 59.97 3hov n SER 869 Cb 0.39 -0.28 -0.16 0.00 -1.01 0.00 0.00 64.21 63.16 3hov n SER 869 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3hov s ILE 870 N -3.06 1.54 0.19 0.44 1.01 -1.19 -4.95 121.20 115.17 3hov s ILE 870 Ca 0.03 -0.99 0.10 0.00 0.00 0.00 0.00 60.65 59.79 3hov s ILE 870 Cb -0.02 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 3hov s ILE 870 CO 0.16 0.12 -0.19 -0.89 0.00 0.00 0.00 174.94 174.13 3hov s THR 871 N 1.43 2.02 0.61 2.92 2.01 -1.26 -1.36 115.64 122.01 3hov s THR 871 Ca -0.02 -2.03 0.03 0.00 0.31 0.00 0.00 61.69 59.98 3hov s THR 871 Cb -0.17 -1.98 0.08 0.00 0.01 0.00 0.00 72.50 70.44 3hov s THR 871 CO -0.08 -0.30 0.85 -1.61 -0.69 0.00 0.00 174.62 172.79 3hov s GLU 872 N -2.93 2.17 0.06 4.92 2.02 -1.21 -4.43 118.70 119.29 3hov s GLU 872 Ca 0.19 -1.13 -0.04 0.00 0.02 0.00 0.00 54.97 54.02 3hov s GLU 872 Cb -0.06 -2.48 -0.02 0.00 0.10 0.00 0.00 34.13 31.67 3hov s GLU 872 CO 0.08 -1.00 0.05 0.95 0.02 0.00 0.00 175.26 175.36 3hov s THR 873 N -2.86 0.18 -0.40 3.63 -4.23 -0.38 -4.78 115.64 106.80 3hov s THR 873 Ca 0.62 -1.48 -0.11 0.00 -1.18 0.00 0.00 61.69 59.53 3hov s THR 873 Cb -0.07 -1.31 0.05 0.00 1.34 0.00 0.00 72.50 72.51 3hov s THR 873 CO 0.40 -0.82 0.25 -0.36 -0.54 0.00 0.00 174.62 173.55 3hov s PHE 874 N -3.56 3.27 0.21 3.99 2.99 -1.26 -0.43 117.98 123.19 3hov s PHE 874 Ca 0.03 -1.15 -0.23 0.00 0.00 0.00 0.00 56.93 55.59 3hov s PHE 874 Cb 0.05 -2.70 0.04 0.00 0.00 0.00 0.00 43.02 40.42 3hov s PHE 874 CO -0.09 -0.73 0.78 -1.83 -0.00 0.00 0.00 175.22 173.35 3hov s GLU 875 N 1.52 1.49 -1.07 0.44 -1.05 -1.06 -4.13 118.70 114.85 3hov s GLU 875 Ca 0.02 -0.78 -0.12 0.00 -0.15 0.00 0.00 54.97 53.94 3hov s GLU 875 Cb -0.21 0.53 0.22 0.00 -0.44 0.00 0.00 34.13 34.23 3hov s GLU 875 CO 0.05 -0.68 1.14 0.21 0.95 0.00 0.00 175.26 176.94 3hov s LYS 876 N -3.66 3.99 1.18 -4.83 2.20 -1.26 -3.85 119.74 113.51 3hov s LYS 876 Ca 0.10 -2.74 -0.19 0.00 -0.36 0.00 0.00 55.97 52.78 3hov s LYS 876 Cb -0.04 -4.72 0.28 0.00 -1.51 0.00 0.00 37.83 31.84 3hov s LYS 876 CO 0.02 -1.46 1.12 -1.25 -0.36 0.00 0.00 175.35 173.42 3hov s PRO 877 N 0.25 -1.02 0.12 4.03 0.04 -1.26 -5.10 135.00 132.06 3hov s PRO 877 Ca 0.32 -0.05 -0.19 0.00 0.04 0.00 0.00 61.00 61.12 3hov s PRO 877 Cb -0.07 -1.62 0.07 0.00 0.04 0.00 0.00 34.50 32.92 3hov s PRO 877 CO -0.06 -3.58 0.91 0.00 0.04 0.00 0.00 177.00 174.31 3hov n GLN 878 N -4.67 0.48 0.00 4.56 -0.00 -1.26 -5.07 117.38 111.41 3hov n GLN 878 Ca 0.13 -1.14 0.00 0.00 -0.00 0.00 0.00 57.00 55.98 3hov n GLN 878 Cb 0.59 1.58 0.00 0.00 -0.00 0.00 0.00 30.24 32.42 3hov n GLN 878 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3hov n ARG 879 N -0.64 0.00 0.00 2.61 5.12 -1.26 -4.99 116.66 117.50 3hov n ARG 879 Ca -0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 3hov n ARG 879 Cb 0.49 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.79 3hov n ARG 879 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3hov n THR 880 N 0.00 0.00 -0.06 0.55 -1.04 -1.26 -4.75 114.28 107.72 3hov n THR 880 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3hov n THR 880 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3hov n THR 880 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3hov n ARG 884 N 0.00 0.00 -4.59 -2.82 0.63 -1.20 -3.84 116.66 104.85 3hov n ARG 884 Ca 0.00 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.63 3hov n ARG 884 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 3hov n ARG 884 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 3hov s MET 885 N 0.00 2.13 0.00 -0.14 -1.94 -1.26 0.66 119.30 118.75 3hov s MET 885 Ca 0.00 -2.22 0.00 0.00 -1.71 0.00 0.00 55.69 51.76 3hov s MET 885 Cb 0.00 -1.65 0.00 0.00 2.01 0.00 0.00 34.83 35.19 3hov s MET 885 CO 0.00 -0.26 0.00 1.63 -0.01 0.00 0.00 175.02 176.38 3hov n LYS 886 N -1.21 2.21 0.00 2.03 4.76 -1.26 -4.99 118.16 119.71 3hov n LYS 886 Ca -0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 3hov n LYS 886 Cb 0.67 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.86 3hov n LYS 886 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 3hov n HIS 887 N -0.04 0.00 -3.15 2.13 -0.00 -1.26 -5.10 115.22 107.80 3hov n HIS 887 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.45 3hov n HIS 887 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 29.97 3hov n HIS 887 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 3hov s GLY 888 N -0.17 1.68 0.13 -1.39 0.00 -1.26 -5.00 107.32 101.31 3hov s GLY 888 Ca 0.00 -0.59 -0.35 0.00 0.00 0.00 0.00 44.72 43.79 3hov s GLY 888 CO 0.00 -0.47 1.53 2.41 0.00 0.00 0.00 173.10 176.58 3hov n THR 889 N -1.43 0.02 0.41 0.90 -1.04 -1.26 -4.50 114.28 107.38 3hov n THR 889 Ca -0.01 -0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.10 3hov n THR 889 Cb 0.55 -1.38 -0.06 0.00 -1.82 0.00 0.00 70.33 67.62 3hov n THR 889 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3hov n TYR 890 N 3.33 0.22 -0.30 -1.42 4.02 -1.26 -1.89 117.16 119.86 3hov n TYR 890 Ca 0.18 0.07 0.04 0.00 -0.01 0.00 0.00 57.90 58.17 3hov n TYR 890 Cb 0.26 -0.45 0.12 0.00 -0.02 0.00 0.00 39.34 39.25 3hov n TYR 890 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 3hov h ASP 891 N 0.00 -0.77 0.00 7.72 3.32 -1.94 0.77 116.42 125.53 3hov h ASP 891 Ca 0.00 0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3hov h ASP 891 Cb 0.81 0.52 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3hov h ASP 891 CO 0.00 -0.28 0.19 0.29 -1.72 0.00 0.00 179.24 177.72 3hov n LYS 892 N -5.54 0.09 -2.52 3.56 5.02 -1.26 -4.52 118.16 112.98 3hov n LYS 892 Ca 0.13 0.56 -0.42 0.00 -2.02 0.00 0.00 58.31 56.56 3hov n LYS 892 Cb 0.45 -1.98 -0.03 0.00 -0.02 0.00 0.00 35.03 33.45 3hov n LYS 892 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hov s LEU 893 N -3.99 4.36 0.00 -0.35 1.43 0.27 -4.46 118.68 115.94 3hov s LEU 893 Ca -0.01 1.88 0.00 0.00 -1.03 0.00 0.00 54.13 54.96 3hov s LEU 893 Cb 0.04 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.68 3hov s LEU 893 CO 0.12 -0.41 0.00 0.47 0.23 0.00 0.00 176.35 176.77 3hov n ASP 894 N 4.01 0.00 0.08 2.29 9.92 0.58 -4.90 116.55 128.53 3hov n ASP 894 Ca 0.08 -0.32 0.12 0.00 -0.53 0.00 0.00 54.79 54.14 3hov n ASP 894 Cb 0.48 0.00 0.16 0.00 -0.64 0.00 0.00 41.12 41.12 3hov n ASP 894 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3hov h ASP 895 N 0.00 0.00 0.14 -2.24 5.19 -1.96 -3.14 116.42 114.40 3hov h ASP 895 Ca 0.00 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 3hov h ASP 895 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3hov h ASP 895 CO 0.00 0.08 -0.04 -0.90 -3.12 0.00 0.00 179.24 175.26 3hov n ASP 896 N -2.26 0.54 -0.38 6.45 5.68 -1.26 -4.26 116.55 121.06 3hov n ASP 896 Ca 0.03 -0.95 -0.00 0.00 -0.50 0.00 0.00 54.79 53.36 3hov n ASP 896 Cb 0.46 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 3hov n ASP 896 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hov n GLY 897 N 1.15 0.77 3.13 6.12 0.00 -1.19 -4.00 105.19 111.17 3hov n GLY 897 Ca 0.19 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.40 3hov n GLY 897 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hov s LEU 898 N -0.77 2.09 -0.03 0.99 1.43 -1.26 -0.85 118.68 120.28 3hov s LEU 898 Ca 0.00 -1.05 -0.05 0.00 -1.03 0.00 0.00 54.13 52.00 3hov s LEU 898 Cb -0.00 0.33 -0.04 0.00 0.03 0.00 0.00 46.19 46.50 3hov s LEU 898 CO 0.01 -0.67 0.19 -0.63 0.23 0.00 0.00 176.35 175.48 3hov s ILE 899 N -3.97 5.42 0.41 -0.59 1.01 -1.25 -0.31 121.20 121.92 3hov s ILE 899 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 60.65 60.55 3hov s ILE 899 Cb 0.07 -3.52 -0.08 0.00 0.01 0.00 0.00 42.46 38.94 3hov s ILE 899 CO -0.05 0.40 1.09 0.00 0.00 0.00 0.00 174.94 176.38 3hov s ALA 900 N -1.25 3.07 -1.01 9.38 0.00 -1.26 -4.84 121.76 125.84 3hov s ALA 900 Ca 0.25 0.79 0.00 0.00 0.00 0.00 0.00 51.96 53.00 3hov s ALA 900 Cb -0.13 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3hov s ALA 900 CO 0.15 -0.36 0.71 -2.30 0.00 0.00 0.00 175.76 173.95 3hov n PRO 901 N -0.16 0.00 -0.01 0.00 -0.02 -1.26 -2.38 135.00 131.17 3hov n PRO 901 Ca 0.05 0.25 0.11 0.00 -2.02 0.00 0.00 63.50 61.89 3hov n PRO 901 Cb 0.49 -1.58 -0.16 0.00 -0.02 0.00 0.00 33.50 32.22 3hov n PRO 901 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hov n GLY 902 N -1.21 -0.98 3.64 -1.23 0.00 -1.26 -4.13 105.19 100.01 3hov n GLY 902 Ca 0.00 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 3hov n GLY 902 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hov n VAL 903 N -2.16 2.39 -3.52 1.61 0.31 -1.00 -4.70 118.33 111.26 3hov n VAL 903 Ca -0.03 -0.50 -0.38 0.00 -0.01 0.00 0.00 64.34 63.42 3hov n VAL 903 Cb 0.53 -1.28 -0.09 0.00 -0.91 0.00 0.00 33.84 32.09 3hov n VAL 903 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3hov s ARG 904 N -2.00 4.07 0.51 5.55 3.52 -1.26 -0.41 118.95 128.93 3hov s ARG 904 Ca 0.61 -0.09 0.06 0.00 -0.13 0.00 0.00 55.73 56.18 3hov s ARG 904 Cb -0.56 -3.58 0.02 0.00 -1.56 0.00 0.00 34.95 29.27 3hov s ARG 904 CO 0.58 -0.07 0.37 0.14 -0.81 0.00 0.00 175.30 175.52 3hov s VAL 905 N 1.42 1.86 0.00 7.11 -7.23 -0.21 -4.94 120.40 118.41 3hov s VAL 905 Ca 0.12 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 58.79 3hov s VAL 905 Cb -0.15 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.44 3hov s VAL 905 CO 0.07 0.00 0.00 -1.54 -0.31 0.00 0.00 175.10 173.32 3hov n SER 906 N -1.68 0.95 0.00 4.85 3.41 -1.26 -2.76 113.62 117.14 3hov n SER 906 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3hov n SER 906 Cb 0.64 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 3hov n SER 906 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hov n GLY 907 N 0.00 0.00 0.76 5.00 0.00 -1.26 -3.55 105.19 106.13 3hov n GLY 907 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3hov n GLY 907 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hov n GLU 908 N 0.00 1.12 -1.47 1.61 1.02 -1.26 -4.25 120.64 117.41 3hov n GLU 908 Ca 0.00 -2.84 -0.42 0.00 -0.02 0.00 0.00 57.16 53.89 3hov n GLU 908 Cb 0.00 -1.18 0.01 0.00 -0.02 0.00 0.00 31.44 30.25 3hov n GLU 908 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3hov n ASP 909 N -0.72 -0.71 -4.70 1.62 8.00 -1.23 -4.25 116.55 114.55 3hov n ASP 909 Ca 0.15 0.92 -0.42 0.00 0.71 0.00 0.00 54.79 56.15 3hov n ASP 909 Cb 0.79 -1.13 -0.03 0.00 -0.02 0.00 0.00 41.12 40.73 3hov n ASP 909 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hov s VAL 910 N -1.45 4.88 -0.14 2.53 1.01 -0.79 -2.18 120.40 124.25 3hov s VAL 910 Ca 0.63 1.87 0.22 0.00 0.00 0.00 0.00 61.98 64.70 3hov s VAL 910 Cb -0.60 -4.24 -0.22 0.00 0.00 0.00 0.00 36.38 31.32 3hov s VAL 910 CO 0.58 0.11 0.69 -0.38 0.00 0.00 0.00 175.10 176.10 3hov n ILE 911 N 4.21 0.20 -3.69 2.22 5.41 -0.37 -4.60 119.36 122.75 3hov n ILE 911 Ca 0.05 -0.49 -0.15 0.00 1.00 0.00 0.00 62.75 63.16 3hov n ILE 911 Cb 0.50 -0.07 -0.15 0.00 -0.71 0.00 0.00 39.64 39.21 3hov n ILE 911 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3hov s ILE 912 N -3.44 -0.24 -0.07 1.39 1.01 -1.21 -3.94 121.20 114.70 3hov s ILE 912 Ca -0.05 0.29 -0.16 0.00 0.00 0.00 0.00 60.65 60.74 3hov s ILE 912 Cb 0.13 -0.33 -0.05 0.00 0.01 0.00 0.00 42.46 42.22 3hov s ILE 912 CO 0.87 0.12 0.40 -0.83 0.00 0.00 0.00 174.94 175.50 3hov s GLY 913 N 2.03 2.40 0.04 6.18 0.00 -0.03 -1.12 107.32 116.81 3hov s GLY 913 Ca -0.01 -0.26 -0.21 0.00 0.00 0.00 0.00 44.72 44.25 3hov s GLY 913 CO -0.07 0.40 0.48 1.25 0.00 0.00 0.00 173.10 175.16 3hov s LYS 914 N -0.23 0.97 -0.01 2.90 2.20 -1.25 -2.55 119.74 121.78 3hov s LYS 914 Ca 0.23 -0.25 -0.04 0.00 -0.36 0.00 0.00 55.97 55.55 3hov s LYS 914 Cb -0.15 0.44 -0.00 0.00 -1.51 0.00 0.00 37.83 36.61 3hov s LYS 914 CO 0.10 -0.34 0.08 0.95 -0.36 0.00 0.00 175.35 175.78 3hov s THR 915 N -2.31 0.06 -0.08 3.43 -4.23 0.43 -1.23 115.64 111.71 3hov s THR 915 Ca -0.06 -0.48 0.02 0.00 -1.18 0.00 0.00 61.69 59.99 3hov s THR 915 Cb -0.01 -0.27 -0.02 0.00 1.34 0.00 0.00 72.50 73.53 3hov s THR 915 CO -0.01 -0.26 -0.13 -0.89 -0.54 0.00 0.00 174.62 172.79 3hov s THR 916 N -0.84 3.15 -0.20 3.99 2.01 -0.32 -1.25 115.64 122.19 3hov s THR 916 Ca -0.09 -0.67 -0.16 0.00 0.31 0.00 0.00 61.69 61.08 3hov s THR 916 Cb -0.05 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 3hov s THR 916 CO 0.00 0.57 0.39 -2.16 -0.69 0.00 0.00 174.62 172.74 3hov s PRO 917 N -0.40 4.18 -0.30 4.92 0.04 -1.26 -3.34 135.00 138.85 3hov s PRO 917 Ca 0.05 0.20 -0.15 0.00 0.04 0.00 0.00 61.00 61.14 3hov s PRO 917 Cb -0.12 -3.53 0.15 0.00 0.04 0.00 0.00 34.50 31.04 3hov s PRO 917 CO 0.02 -0.01 0.91 0.42 0.04 0.00 0.00 177.00 178.38 3hov s ILE 918 N 1.23 -0.41 0.01 0.56 1.01 -1.26 -4.96 121.20 117.37 3hov s ILE 918 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 60.65 60.88 3hov s ILE 918 Cb -0.15 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 3hov s ILE 918 CO 0.08 0.00 -0.11 -0.94 0.00 0.00 0.00 174.94 173.96 3hov s SER 919 N 2.17 1.35 -0.03 3.58 1.04 -1.26 -4.95 113.70 115.60 3hov s SER 919 Ca -0.05 -0.30 -0.04 0.00 0.48 0.00 0.00 55.95 56.03 3hov s SER 919 Cb -0.06 -0.12 -0.01 0.00 0.10 0.00 0.00 66.02 65.93 3hov s SER 919 CO -0.17 0.08 -0.08 -1.54 0.98 0.00 0.00 173.24 172.50 3hov n SER 933 N 2.44 0.66 -4.24 7.02 3.41 -1.26 -5.35 113.62 116.29 3hov n SER 933 Ca -0.16 0.10 -0.42 0.00 -0.26 0.00 0.00 58.87 58.13 3hov n SER 933 Cb 0.56 -0.41 -0.07 0.00 -0.26 0.00 0.00 64.21 64.02 3hov n SER 933 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hov s LYS 934 N -1.63 2.63 -0.17 4.33 1.02 -1.25 -4.41 119.74 120.25 3hov s LYS 934 Ca -0.07 -1.76 -0.05 0.00 0.02 0.00 0.00 55.97 54.11 3hov s LYS 934 Cb 0.01 -4.03 -0.03 0.00 -0.52 0.00 0.00 37.83 33.25 3hov s LYS 934 CO 0.10 -1.23 0.00 -0.98 -0.92 0.00 0.00 175.35 172.32 3hov s ARG 935 N 1.41 3.76 0.91 1.68 1.70 -1.21 -3.22 118.95 123.98 3hov s ARG 935 Ca 0.05 -0.46 -0.11 0.00 -0.47 0.00 0.00 55.73 54.73 3hov s ARG 935 Cb -0.27 -3.04 0.14 0.00 -0.57 0.00 0.00 34.95 31.21 3hov s ARG 935 CO 0.00 0.22 1.09 0.34 -1.08 0.00 0.00 175.30 175.87 3hov s ASP 936 N 0.46 3.31 0.00 -2.89 -1.08 0.21 -1.17 116.67 115.51 3hov s ASP 936 Ca -0.01 1.59 0.00 0.00 -0.52 0.00 0.00 52.55 53.61 3hov s ASP 936 Cb -0.14 -2.25 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 3hov s ASP 936 CO 0.02 -2.76 0.83 0.00 0.52 0.00 0.00 175.17 173.79 3hov n ALA 937 N -3.97 2.95 -0.90 3.66 0.00 -0.36 -4.59 120.51 117.29 3hov n ALA 937 Ca 0.07 -0.56 -0.10 0.00 0.00 0.00 0.00 53.44 52.85 3hov n ALA 937 Cb 0.55 -0.30 0.14 0.00 0.00 0.00 0.00 19.45 19.84 3hov n ALA 937 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hov n SER 938 N 0.00 -2.08 -3.43 0.00 7.64 -1.24 -4.25 113.62 110.27 3hov n SER 938 Ca -0.23 -0.74 -0.23 0.00 1.01 0.00 0.00 58.87 58.69 3hov n SER 938 Cb 0.62 -0.53 -0.11 0.00 -1.01 0.00 0.00 64.21 63.18 3hov n SER 938 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3hov s THR 939 N -1.91 -0.16 0.54 0.44 2.01 -0.27 -4.91 115.64 111.37 3hov s THR 939 Ca 0.37 -1.04 -0.18 0.00 0.31 0.00 0.00 61.69 61.16 3hov s THR 939 Cb -0.04 -0.93 -0.06 0.00 0.01 0.00 0.00 72.50 71.47 3hov s THR 939 CO 0.29 -0.70 1.03 -2.16 -0.69 0.00 0.00 174.62 172.39 3hov s PRO 940 N 1.67 3.65 0.30 4.92 0.04 -1.26 -1.24 135.00 143.08 3hov s PRO 940 Ca 0.14 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.08 3hov s PRO 940 Cb -0.17 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 32.18 3hov s PRO 940 CO -0.15 -0.53 1.31 -1.17 0.04 0.00 0.00 177.00 176.49 3hov s LEU 941 N -4.03 4.43 -0.41 -3.56 2.96 -0.93 -4.82 118.68 112.32 3hov s LEU 941 Ca 0.63 2.62 -0.38 0.00 -0.22 0.00 0.00 54.13 56.79 3hov s LEU 941 Cb -0.14 -3.64 -0.16 0.00 0.50 0.00 0.00 46.19 42.74 3hov s LEU 941 CO 0.29 -0.52 1.48 0.54 -1.32 0.00 0.00 176.35 176.82 3hov n ARG 942 N 1.20 0.00 -0.29 1.98 5.12 -1.26 -4.49 116.66 118.93 3hov n ARG 942 Ca 0.01 0.00 0.24 0.00 -1.93 0.00 0.00 57.85 56.17 3hov n ARG 942 Cb 0.42 -1.24 0.44 0.00 -1.16 0.00 0.00 32.46 30.92 3hov n ARG 942 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3hov n SER 943 N 4.29 0.19 0.09 0.55 3.41 -1.26 -0.47 113.62 120.42 3hov n SER 943 Ca 0.32 1.46 -0.14 0.00 -0.26 0.00 0.00 58.87 60.25 3hov n SER 943 Cb -0.04 -0.66 -0.14 0.00 -0.26 0.00 0.00 64.21 63.11 3hov n SER 943 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3hov h THR 944 N 0.00 1.52 -3.77 6.66 1.35 -1.84 -3.44 112.91 113.40 3hov h THR 944 Ca 0.68 -3.13 -0.43 0.00 -0.55 0.00 0.00 66.41 62.98 3hov h THR 944 Cb 1.72 2.91 0.17 0.00 -1.73 0.00 0.00 68.15 71.22 3hov h THR 944 CO -0.71 0.90 0.21 -1.61 -0.25 0.00 0.00 175.52 174.06 3hov s GLU 945 N -2.67 -0.27 0.00 4.72 2.02 0.38 -5.01 118.70 117.87 3hov s GLU 945 Ca -0.03 0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.02 3hov s GLU 945 Cb 0.08 -1.70 0.00 0.00 0.10 0.00 0.00 34.13 32.61 3hov s GLU 945 CO 0.87 -3.10 0.00 0.27 0.02 0.00 0.00 175.26 173.32 3hov n ASN 946 N -4.35 0.00 0.00 -0.19 6.94 -1.26 -4.39 115.26 112.01 3hov n ASN 946 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.67 3hov n ASN 946 Cb 0.59 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 3hov n ASN 946 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hov n GLY 947 N -0.11 1.14 2.84 4.83 0.00 -1.11 -4.82 105.19 107.95 3hov n GLY 947 Ca 0.00 0.21 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 3hov n GLY 947 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hov s ILE 948 N 1.51 0.20 0.26 -0.61 1.01 -0.84 -1.04 121.20 121.69 3hov s ILE 948 Ca 0.00 0.04 -0.31 0.00 0.00 0.00 0.00 60.65 60.39 3hov s ILE 948 Cb 0.00 -0.27 -0.12 0.00 0.01 0.00 0.00 42.46 42.07 3hov s ILE 948 CO 0.00 0.14 1.56 0.52 0.00 0.00 0.00 174.94 177.16 3hov n VAL 949 N 3.96 0.80 -0.05 2.92 0.31 0.46 -0.49 118.33 126.23 3hov n VAL 949 Ca -0.25 -0.20 -0.05 0.00 -0.01 0.00 0.00 64.34 63.83 3hov n VAL 949 Cb 0.52 -1.80 -0.08 0.00 -0.91 0.00 0.00 33.84 31.56 3hov n VAL 949 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3hov n ASP 950 N 2.48 2.45 -3.54 4.52 2.03 0.32 -4.25 116.55 120.56 3hov n ASP 950 Ca 0.11 -0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.43 3hov n ASP 950 Cb 0.34 0.71 -0.06 0.00 -0.72 0.00 0.00 41.12 41.40 3hov n ASP 950 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 3hov s GLN 951 N -2.25 0.16 0.37 -0.67 0.74 -1.03 -4.93 119.66 112.04 3hov s GLN 951 Ca -0.06 0.31 0.08 0.00 0.05 0.00 0.00 55.36 55.74 3hov s GLN 951 Cb 0.03 0.08 -0.04 0.00 1.10 0.00 0.00 33.01 34.18 3hov s GLN 951 CO 0.42 -0.04 0.20 0.08 -0.55 0.00 0.00 175.29 175.40 3hov s VAL 952 N 1.46 2.77 -0.29 1.34 1.01 -1.26 -1.41 120.40 124.02 3hov s VAL 952 Ca -0.06 -1.63 -0.18 0.00 0.00 0.00 0.00 61.98 60.11 3hov s VAL 952 Cb -0.03 -2.99 0.16 0.00 0.00 0.00 0.00 36.38 33.52 3hov s VAL 952 CO -0.13 -0.10 1.11 -1.48 0.00 0.00 0.00 175.10 174.50 3hov s LEU 953 N -3.91 -0.33 -0.10 3.92 2.34 -1.12 -5.01 118.68 114.47 3hov s LEU 953 Ca 0.40 0.56 0.03 0.00 0.06 0.00 0.00 54.13 55.18 3hov s LEU 953 Cb -0.01 1.52 -0.01 0.00 -0.56 0.00 0.00 46.19 47.13 3hov s LEU 953 CO 0.24 -0.09 -0.18 -0.69 -1.06 0.00 0.00 176.35 174.56 3hov s VAL 954 N 0.97 2.60 0.28 1.48 1.01 -1.26 -2.28 120.40 123.19 3hov s VAL 954 Ca -0.05 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.11 3hov s VAL 954 Cb -0.04 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 3hov s VAL 954 CO -0.12 0.55 0.25 -0.89 0.00 0.00 0.00 175.10 174.89 3hov s THR 955 N 0.10 0.00 0.33 3.92 2.01 0.13 -4.98 115.64 117.15 3hov s THR 955 Ca -0.09 -1.93 0.07 0.00 0.31 0.00 0.00 61.69 60.05 3hov s THR 955 Cb -0.15 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.83 3hov s THR 955 CO 0.05 0.00 0.36 0.42 -0.69 0.00 0.00 174.62 174.76 3hov s THR 956 N -3.68 3.78 -0.09 -0.82 -4.23 -1.26 0.14 115.64 109.49 3hov s THR 956 Ca 0.38 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.67 3hov s THR 956 Cb 0.04 -3.29 0.02 0.00 1.34 0.00 0.00 72.50 70.61 3hov s THR 956 CO 0.21 -0.17 -0.08 0.54 -0.54 0.00 0.00 174.62 174.57 3hov s ASN 957 N -4.06 1.89 0.00 3.99 2.20 -0.60 -4.75 114.94 113.61 3hov s ASN 957 Ca 0.42 -0.26 0.00 0.00 -0.94 0.00 0.00 52.86 52.08 3hov s ASN 957 Cb -0.07 -0.76 0.00 0.00 -2.00 0.00 0.00 41.25 38.42 3hov s ASN 957 CO 0.28 -0.08 0.00 0.00 -2.94 0.00 0.00 177.10 174.36 3hov n GLN 958 N 4.58 0.00 0.00 3.55 6.02 -1.26 0.80 117.38 131.07 3hov n GLN 958 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 3hov n GLN 958 Cb 0.51 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.77 3hov n GLN 958 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3hov n ASP 959 N 0.00 1.97 -1.99 1.08 5.75 -1.26 -3.23 116.55 118.87 3hov n ASP 959 Ca 0.00 -1.59 -0.17 0.00 -0.01 0.00 0.00 54.79 53.03 3hov n ASP 959 Cb 0.00 -0.40 -0.04 0.00 -1.03 0.00 0.00 41.12 39.66 3hov n ASP 959 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hov n GLY 960 N 0.47 0.44 3.89 6.12 0.00 0.24 -4.99 105.19 111.36 3hov n GLY 960 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3hov n GLY 960 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hov s LEU 961 N -5.08 3.89 -0.30 0.99 1.43 -1.15 -4.72 118.68 113.75 3hov s LEU 961 Ca 0.00 0.91 -0.29 0.00 -1.03 0.00 0.00 54.13 53.72 3hov s LEU 961 Cb 0.00 -3.77 -0.01 0.00 0.03 0.00 0.00 46.19 42.44 3hov s LEU 961 CO 0.00 -0.35 1.43 -0.54 0.23 0.00 0.00 176.35 177.13 3hov s LYS 962 N -3.90 3.79 -0.13 1.70 1.02 -1.26 -1.56 119.74 119.40 3hov s LYS 962 Ca 0.47 1.32 -0.04 0.00 0.02 0.00 0.00 55.97 57.74 3hov s LYS 962 Cb -0.10 -3.96 -0.03 0.00 -0.52 0.00 0.00 37.83 33.21 3hov s LYS 962 CO 0.33 -1.28 0.02 0.12 -0.92 0.00 0.00 175.35 173.61 3hov s PHE 963 N 4.91 3.18 -0.06 3.18 5.36 0.37 -2.77 117.98 132.15 3hov s PHE 963 Ca 0.62 0.08 -0.09 0.00 -0.96 0.00 0.00 56.93 56.58 3hov s PHE 963 Cb -0.19 -1.90 0.02 0.00 -0.34 0.00 0.00 43.02 40.61 3hov s PHE 963 CO 0.27 0.30 0.23 0.54 -1.46 0.00 0.00 175.22 175.11 3hov s VAL 964 N -0.33 0.03 -0.03 3.12 0.11 -0.64 0.21 120.40 122.86 3hov s VAL 964 Ca 0.07 -0.23 0.01 0.00 -2.93 0.00 0.00 61.98 58.90 3hov s VAL 964 Cb -0.12 -0.41 0.02 0.00 -1.53 0.00 0.00 36.38 34.34 3hov s VAL 964 CO 0.02 -0.13 -0.02 -0.54 -3.33 0.00 0.00 175.10 171.11 3hov s LYS 965 N -0.44 0.52 0.07 1.54 1.02 -0.97 -1.57 119.74 119.92 3hov s LYS 965 Ca -0.05 -0.00 0.04 0.00 0.02 0.00 0.00 55.97 55.97 3hov s LYS 965 Cb -0.04 -0.63 -0.04 0.00 -0.52 0.00 0.00 37.83 36.61 3hov s LYS 965 CO 0.01 -0.11 0.01 0.08 -0.92 0.00 0.00 175.35 174.43 3hov s VAL 966 N 0.96 4.13 -0.16 3.17 1.01 -0.13 -2.80 120.40 126.58 3hov s VAL 966 Ca -0.11 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 3hov s VAL 966 Cb -0.14 -2.95 0.05 0.00 0.00 0.00 0.00 36.38 33.34 3hov s VAL 966 CO -0.01 0.16 0.06 -0.60 0.00 0.00 0.00 175.10 174.71 3hov s ARG 967 N -2.21 0.29 0.14 2.72 3.52 -0.50 -1.02 118.95 121.89 3hov s ARG 967 Ca 0.25 -0.14 -0.10 0.00 -0.13 0.00 0.00 55.73 55.61 3hov s ARG 967 Cb -0.12 -1.74 -0.06 0.00 -1.56 0.00 0.00 34.95 31.47 3hov s ARG 967 CO 0.18 -0.60 0.47 0.08 -0.81 0.00 0.00 175.30 174.61 3hov s VAL 968 N 2.03 5.01 0.02 7.11 1.01 -0.83 0.12 120.40 134.88 3hov s VAL 968 Ca 0.02 0.48 0.09 0.00 0.00 0.00 0.00 61.98 62.56 3hov s VAL 968 Cb -0.16 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 3hov s VAL 968 CO -0.08 0.15 -0.25 -0.60 0.00 0.00 0.00 175.10 174.32 3hov s ARG 969 N -2.25 1.84 0.02 2.72 3.52 0.36 -2.24 118.95 122.92 3hov s ARG 969 Ca 0.39 -1.02 0.01 0.00 -0.13 0.00 0.00 55.73 54.98 3hov s ARG 969 Cb -0.13 -1.93 -0.01 0.00 -1.56 0.00 0.00 34.95 31.32 3hov s ARG 969 CO 0.20 0.51 -0.04 0.99 -0.81 0.00 0.00 175.30 176.15 3hov s THR 970 N -0.73 0.25 -0.16 4.11 2.01 -0.06 -1.98 115.64 119.09 3hov s THR 970 Ca 0.11 -0.62 -0.07 0.00 0.31 0.00 0.00 61.69 61.42 3hov s THR 970 Cb -0.10 -0.31 -0.04 0.00 0.01 0.00 0.00 72.50 72.06 3hov s THR 970 CO 0.01 -0.24 0.06 -0.89 -0.69 0.00 0.00 174.62 172.87 3hov s THR 971 N -0.86 4.82 -0.17 -0.82 2.01 -1.26 0.18 115.64 119.53 3hov s THR 971 Ca -0.08 -0.03 -0.01 0.00 0.31 0.00 0.00 61.69 61.89 3hov s THR 971 Cb -0.06 -3.14 -0.00 0.00 0.01 0.00 0.00 72.50 69.30 3hov s THR 971 CO -0.00 0.50 -0.13 -0.54 -0.69 0.00 0.00 174.62 173.76 3hov s LYS 972 N 0.00 3.24 -0.14 4.92 1.02 0.04 -4.98 119.74 123.85 3hov s LYS 972 Ca 0.06 -0.72 -0.07 0.00 0.02 0.00 0.00 55.97 55.26 3hov s LYS 972 Cb -0.12 -2.72 -0.04 0.00 -0.52 0.00 0.00 37.83 34.43 3hov s LYS 972 CO 0.01 -0.06 0.11 0.42 -0.92 0.00 0.00 175.35 174.91 3hov s ILE 973 N 1.02 5.20 -0.13 2.17 1.01 -1.26 -1.80 121.20 127.41 3hov s ILE 973 Ca -0.01 0.10 -0.35 0.00 0.00 0.00 0.00 60.65 60.39 3hov s ILE 973 Cb -0.15 -3.28 -0.12 0.00 0.01 0.00 0.00 42.46 38.92 3hov s ILE 973 CO -0.03 0.56 1.90 -0.81 0.00 0.00 0.00 174.94 176.57 3hov n PRO 974 N 2.48 2.02 -2.95 2.79 -0.04 -1.26 -4.97 135.00 133.08 3hov n PRO 974 Ca -0.19 0.73 -0.16 0.00 -0.04 0.00 0.00 63.50 63.84 3hov n PRO 974 Cb 0.54 -2.61 -0.00 0.00 -0.04 0.00 0.00 33.50 31.39 3hov n PRO 974 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3hov n GLN 975 N 6.72 1.02 -0.03 0.54 7.27 -1.26 -5.06 117.38 126.57 3hov n GLN 975 Ca 0.24 -2.08 -0.12 0.00 0.07 0.00 0.00 57.00 55.11 3hov n GLN 975 Cb 0.28 0.25 -0.07 0.00 2.41 0.00 0.00 30.24 33.10 3hov n GLN 975 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 3hov h ILE 976 N 0.63 1.28 0.00 1.69 2.04 -1.93 -3.19 117.51 118.03 3hov h ILE 976 Ca -0.21 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 64.76 3hov h ILE 976 Cb 0.77 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 3hov h ILE 976 CO 0.34 0.25 0.00 0.61 0.00 0.00 0.00 178.15 179.34 3hov n GLY 977 N -0.18 -0.96 3.74 5.37 0.00 -1.26 -3.08 105.19 108.82 3hov n GLY 977 Ca -0.06 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3hov n GLY 977 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hov n ASP 978 N -1.37 3.46 -4.88 1.61 9.92 -1.21 -4.07 116.55 120.01 3hov n ASP 978 Ca 0.07 1.20 -0.34 0.00 -0.53 0.00 0.00 54.79 55.18 3hov n ASP 978 Cb 0.17 -1.57 -0.05 0.00 -0.64 0.00 0.00 41.12 39.03 3hov n ASP 978 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 3hov s LYS 979 N -1.58 3.69 0.23 -1.24 2.20 -1.21 -0.92 119.74 120.90 3hov s LYS 979 Ca 0.57 0.07 -0.07 0.00 -0.36 0.00 0.00 55.97 56.18 3hov s LYS 979 Cb -0.52 -3.01 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 3hov s LYS 979 CO 0.59 0.58 0.31 -0.06 -0.36 0.00 0.00 175.35 176.41 3hov s PHE 980 N -1.40 0.75 -0.18 4.03 0.40 -0.06 -3.76 117.98 117.76 3hov s PHE 980 Ca 0.32 -1.04 -0.28 0.00 -0.60 0.00 0.00 56.93 55.33 3hov s PHE 980 Cb -0.13 -0.17 0.11 0.00 0.51 0.00 0.00 43.02 43.34 3hov s PHE 980 CO 0.18 -0.83 0.94 0.00 0.70 0.00 0.00 175.22 176.21 3hov s ALA 981 N -4.08 -1.91 0.91 5.36 0.00 -0.06 -2.00 121.76 119.99 3hov s ALA 981 Ca 0.30 1.66 0.00 0.00 0.00 0.00 0.00 51.96 53.92 3hov s ALA 981 Cb 0.03 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.32 3hov s ALA 981 CO 0.11 -0.30 0.00 -1.13 0.00 0.00 0.00 175.76 174.44 3hov n SER 982 N 1.31 0.00 -1.19 0.00 3.41 -1.24 0.56 113.62 116.48 3hov n SER 982 Ca -0.13 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.43 3hov n SER 982 Cb 0.57 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.65 3hov n SER 982 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hov n ARG 983 N 0.00 2.36 -2.67 4.33 1.74 -1.26 -4.58 116.66 116.58 3hov n ARG 983 Ca 0.00 -3.63 -0.09 0.00 -0.77 0.00 0.00 57.85 53.36 3hov n ARG 983 Cb 0.00 -1.85 0.03 0.00 -1.02 0.00 0.00 32.46 29.62 3hov n ARG 983 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3hov n HIS 984 N -0.93 1.34 -3.49 -1.55 8.25 -1.26 -4.69 115.22 112.88 3hov n HIS 984 Ca 0.28 -2.71 -0.24 0.00 -0.26 0.00 0.00 57.72 54.79 3hov n HIS 984 Cb 0.81 -0.34 -0.01 0.00 1.12 0.00 0.00 29.99 31.56 3hov n HIS 984 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hov n GLY 985 N -0.18 -0.47 2.74 -1.41 0.00 -1.25 -4.85 105.19 99.78 3hov n GLY 985 Ca 0.11 0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 3hov n GLY 985 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hov n GLN 986 N -3.70 4.37 -1.18 1.61 -0.06 -1.26 -4.92 117.38 112.24 3hov n GLN 986 Ca 0.01 -4.44 -0.30 0.00 -2.00 0.00 0.00 57.00 50.27 3hov n GLN 986 Cb 0.52 -2.37 0.13 0.00 -4.06 0.00 0.00 30.24 24.46 3hov n GLN 986 CO 0.00 0.00 0.00 -1.59 -0.20 0.00 0.00 177.06 175.27 3hov s LYS 987 N -4.09 1.34 0.00 3.69 0.00 -1.26 -3.69 119.74 115.73 3hov s LYS 987 Ca 0.44 0.89 0.00 0.00 0.00 0.00 0.00 55.97 57.30 3hov s LYS 987 Cb 0.27 -1.81 0.00 0.00 0.00 0.00 0.00 37.83 36.29 3hov s LYS 987 CO -0.20 -2.20 0.00 0.41 0.00 0.00 0.00 175.35 173.36 3hov n GLY 988 N -1.06 1.52 3.69 0.59 0.00 -0.85 -4.87 105.19 104.20 3hov n GLY 988 Ca 0.07 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 3hov n GLY 988 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hov s THR 989 N -2.00 3.28 0.70 2.61 -4.23 -1.19 -0.88 115.64 113.93 3hov s THR 989 Ca 0.00 -1.80 -0.14 0.00 -1.18 0.00 0.00 61.69 58.57 3hov s THR 989 Cb 0.00 -2.92 0.02 0.00 1.34 0.00 0.00 72.50 70.94 3hov s THR 989 CO 0.00 -0.29 1.11 -0.63 -0.54 0.00 0.00 174.62 174.28 3hov s ILE 990 N -2.37 3.18 0.00 2.99 1.01 -0.10 -0.26 121.20 125.65 3hov s ILE 990 Ca 0.34 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.49 3hov s ILE 990 Cb -0.04 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.43 3hov s ILE 990 CO 0.21 -0.39 0.05 0.61 0.00 0.00 0.00 174.94 175.43 3hov n GLY 991 N -0.63 0.73 0.00 6.18 0.00 -0.58 -4.49 105.19 106.39 3hov n GLY 991 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3hov n GLY 991 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3hov n ILE 992 N -0.33 0.00 -4.30 -0.61 3.06 -1.26 -5.01 119.36 110.91 3hov n ILE 992 Ca 0.00 0.00 -0.23 0.00 -2.50 0.00 0.00 62.75 60.02 3hov n ILE 992 Cb 0.03 0.00 -0.13 0.00 0.54 0.00 0.00 39.64 40.09 3hov n ILE 992 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3hov s THR 993 N -2.00 1.65 0.21 9.51 -4.23 -1.26 -2.40 115.64 117.12 3hov s THR 993 Ca 0.00 -1.49 0.06 0.00 -1.18 0.00 0.00 61.69 59.08 3hov s THR 993 Cb 0.00 -1.50 -0.05 0.00 1.34 0.00 0.00 72.50 72.29 3hov s THR 993 CO 0.00 -0.06 -0.10 -0.31 -0.54 0.00 0.00 174.62 173.62 3hov s TYR 994 N -1.15 1.66 0.41 3.99 1.51 -0.84 -4.85 117.35 118.08 3hov s TYR 994 Ca 0.06 -0.69 0.08 0.00 -1.01 0.00 0.00 57.07 55.51 3hov s TYR 994 Cb -0.10 -0.86 0.01 0.00 -0.11 0.00 0.00 41.96 40.90 3hov s TYR 994 CO 0.04 0.23 0.55 1.03 -1.11 0.00 0.00 175.55 176.29 3hov s ARG 995 N -3.71 2.87 0.29 -0.62 0.52 -1.26 0.26 118.95 117.29 3hov s ARG 995 Ca 0.24 -1.21 0.01 0.00 -0.52 0.00 0.00 55.73 54.24 3hov s ARG 995 Cb 0.02 -2.76 0.68 0.00 0.52 0.00 0.00 34.95 33.41 3hov s ARG 995 CO 0.07 -0.21 1.62 0.00 0.02 0.00 0.00 175.30 176.80 3hov h ARG 996 N 0.70 0.13 -0.83 3.54 3.08 -1.97 -0.30 114.38 118.73 3hov h ARG 996 Ca -0.41 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 59.72 3hov h ARG 996 Cb 1.28 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 31.24 3hov h ARG 996 CO 0.47 0.09 0.54 0.93 -1.07 0.00 0.00 179.97 180.92 3hov h GLU 997 N 0.13 0.79 0.05 0.04 3.07 -1.94 -2.41 114.58 114.31 3hov h GLU 997 Ca 0.54 -0.05 -0.27 0.00 -0.50 0.00 0.00 59.36 59.09 3hov h GLU 997 Cb 1.09 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.79 3hov h GLU 997 CO -0.72 0.52 -1.37 -0.44 -1.40 0.00 0.00 179.01 175.60 3hov h ASP 998 N 0.81 0.16 -3.53 1.42 3.32 -1.35 -3.40 116.42 113.84 3hov h ASP 998 Ca 0.38 -0.22 -0.56 0.00 0.02 0.00 0.00 57.03 56.65 3hov h ASP 998 Cb 0.40 -0.05 0.18 0.00 0.22 0.00 0.00 39.33 40.08 3hov h ASP 998 CO -0.15 1.18 -0.09 0.80 -1.72 0.00 0.00 179.24 179.26 3hov n MET 999 N -3.32 0.45 -2.69 3.56 1.56 -0.64 -3.92 117.12 112.11 3hov n MET 999 Ca -0.10 0.20 -0.32 0.00 -0.27 0.00 0.00 57.70 57.21 3hov n MET 999 Cb 1.01 -2.06 -0.04 0.00 2.15 0.00 0.00 33.22 34.28 3hov n MET 999 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 3hov s PRO 1000N -3.05 3.95 0.14 2.12 0.04 -1.26 -3.47 135.00 133.45 3hov s PRO 1000Ca 0.70 0.80 -0.00 0.00 0.04 0.00 0.00 61.00 62.54 3hov s PRO 1000Cb -0.35 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 3hov s PRO 1000CO 0.53 -0.11 0.04 -0.59 0.04 0.00 0.00 177.00 176.91 3hov s PHE 1001N -2.40 0.93 -0.08 0.56 -0.12 -0.64 -4.28 117.98 111.95 3hov s PHE 1001Ca 0.56 -1.17 -0.05 0.00 -0.05 0.00 0.00 56.93 56.22 3hov s PHE 1001Cb -0.10 -0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 41.72 3hov s PHE 1001CO 0.27 -0.44 0.15 0.95 -0.05 0.00 0.00 175.22 176.10 3hov s THR 1002N -3.95 5.42 0.60 -4.49 -4.23 -0.86 0.83 115.64 108.95 3hov s THR 1002Ca 0.23 0.05 0.29 0.00 -1.18 0.00 0.00 61.69 61.08 3hov s THR 1002Cb 0.07 -3.42 0.40 0.00 1.34 0.00 0.00 72.50 70.89 3hov s THR 1002CO 0.02 0.51 1.68 0.00 -0.54 0.00 0.00 174.62 176.29 3hov h ALA 1003N 4.55 2.51 0.00 3.99 0.00 -1.90 0.95 119.26 129.36 3hov h ALA 1003Ca -0.53 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3hov h ALA 1003Cb 1.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3hov h ALA 1003CO 0.62 -1.13 0.00 -1.91 0.00 0.00 0.00 179.25 176.83 3hov n GLU 1004N -3.56 0.31 0.00 0.00 2.13 -1.26 -4.88 120.64 113.38 3hov n GLU 1004Ca 0.15 0.09 0.00 0.00 0.66 0.00 0.00 57.16 58.06 3hov n GLU 1004Cb 1.01 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 31.22 3hov n GLU 1004CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hov n GLY 1005N 0.45 0.96 3.77 8.31 0.00 0.33 -5.06 105.19 113.95 3hov n GLY 1005Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 3hov n GLY 1005CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hov s ILE 1006N -2.25 3.27 0.11 -0.61 1.01 -1.24 -4.80 121.20 116.69 3hov s ILE 1006Ca 0.00 1.00 0.05 0.00 0.00 0.00 0.00 60.65 61.70 3hov s ILE 1006Cb 0.00 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 3hov s ILE 1006CO 0.00 0.04 -0.12 0.54 0.00 0.00 0.00 174.94 175.40 3hov s VAL 1007N -1.51 1.12 0.76 2.92 0.11 -1.26 -2.03 120.40 120.51 3hov s VAL 1007Ca 0.59 -1.72 -0.12 0.00 -2.93 0.00 0.00 61.98 57.81 3hov s VAL 1007Cb -0.28 -1.48 0.05 0.00 -1.53 0.00 0.00 36.38 33.14 3hov s VAL 1007CO 0.35 -0.52 1.10 -2.16 -3.33 0.00 0.00 175.10 170.54 3hov s PRO 1008N -2.85 2.39 -0.12 1.54 0.04 -1.26 -4.87 135.00 129.86 3hov s PRO 1008Ca 0.08 0.51 0.11 0.00 0.04 0.00 0.00 61.00 61.74 3hov s PRO 1008Cb -0.03 -1.96 -0.15 0.00 0.04 0.00 0.00 34.50 32.40 3hov s PRO 1008CO 0.01 -1.38 0.05 -0.25 0.04 0.00 0.00 177.00 175.47 3hov n ASP 1009N -3.25 2.04 -4.34 6.66 8.00 0.39 -4.52 116.55 121.53 3hov n ASP 1009Ca 0.07 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.39 3hov n ASP 1009Cb 0.57 0.82 -0.10 0.00 -0.02 0.00 0.00 41.12 42.39 3hov n ASP 1009CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hov s LEU 1010N -4.85 2.17 -0.31 0.64 1.02 -1.16 -0.59 118.68 115.61 3hov s LEU 1010Ca -0.06 -1.24 0.02 0.00 0.02 0.00 0.00 54.13 52.87 3hov s LEU 1010Cb 0.04 -0.28 0.16 0.00 0.02 0.00 0.00 46.19 46.12 3hov s LEU 1010CO 0.49 -0.53 0.39 -0.63 0.02 0.00 0.00 176.35 176.09 3hov s ILE 1011N -3.41 -0.55 0.17 -0.59 1.01 -0.09 -2.56 121.20 115.17 3hov s ILE 1011Ca 0.30 -0.42 -0.03 0.00 0.00 0.00 0.00 60.65 60.50 3hov s ILE 1011Cb 0.06 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.57 3hov s ILE 1011CO 0.10 -0.36 0.38 0.27 0.00 0.00 0.00 174.94 175.33 3hov s ILE 1012N 2.33 5.19 0.10 2.92 -4.36 -0.48 -1.97 121.20 124.93 3hov s ILE 1012Ca 0.11 -0.16 -0.30 0.00 -0.26 0.00 0.00 60.65 60.04 3hov s ILE 1012Cb -0.13 -3.67 -0.05 0.00 1.25 0.00 0.00 42.46 39.85 3hov s ILE 1012CO -0.27 -0.06 0.98 0.21 0.24 0.00 0.00 174.94 176.05 3hov s ASN 1013N -2.77 7.46 0.55 4.36 3.84 -1.25 -1.75 114.94 125.38 3hov s ASN 1013Ca 0.40 1.80 0.27 0.00 0.21 0.00 0.00 52.86 55.53 3hov s ASN 1013Cb -0.12 -2.59 1.46 0.00 -0.55 0.00 0.00 41.25 39.45 3hov s ASN 1013CO 0.27 -0.11 1.99 1.55 -2.79 0.00 0.00 177.10 178.00 3hov h PRO 1014N 5.75 0.00 0.00 0.43 0.13 -1.82 -2.76 132.00 133.73 3hov h PRO 1014Ca -0.43 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3hov h PRO 1014Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 3hov h PRO 1014CO 0.72 0.00 -0.00 0.45 -0.23 0.00 0.00 178.00 178.94 3hov h HIS 1015N 0.00 0.00 -0.23 1.56 3.86 -1.97 -2.78 115.15 115.59 3hov h HIS 1015Ca 0.23 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.32 3hov h HIS 1015Cb 1.01 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.41 3hov h HIS 1015CO 0.00 0.00 0.16 0.00 0.86 0.00 0.00 177.93 178.95 3hov n ALA 1016N -2.30 3.33 0.04 2.45 0.00 -1.04 -4.06 120.51 118.93 3hov n ALA 1016Ca -0.03 -0.68 -0.01 0.00 0.00 0.00 0.00 53.44 52.72 3hov n ALA 1016Cb 0.09 -1.11 -0.00 0.00 0.00 0.00 0.00 19.45 18.42 3hov n ALA 1016CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3hov n ILE 1017N 0.19 1.17 -0.23 0.00 2.08 -1.05 -4.62 119.36 116.91 3hov n ILE 1017Ca 0.14 0.36 -0.06 0.00 0.56 0.00 0.00 62.75 63.75 3hov n ILE 1017Cb 0.75 -1.61 -0.05 0.00 -0.75 0.00 0.00 39.64 37.98 3hov n ILE 1017CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 3hov n PRO 1018N -3.50 -0.24 0.09 0.38 -0.02 -1.26 -0.48 135.00 129.97 3hov n PRO 1018Ca -0.01 1.11 -0.07 0.00 -2.02 0.00 0.00 63.50 62.52 3hov n PRO 1018Cb 0.04 -1.65 0.04 0.00 -0.02 0.00 0.00 33.50 31.92 3hov n PRO 1018CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hov h SER 1019N 0.00 0.21 -0.68 2.55 4.64 -1.91 -3.21 113.55 115.16 3hov h SER 1019Ca 0.09 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.20 3hov h SER 1019Cb 0.22 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 3hov h SER 1019CO -0.51 0.91 0.24 0.03 -0.87 0.00 0.00 176.83 176.63 3hov h ARG 1020N 0.11 1.03 -5.80 4.77 2.47 -1.63 -3.47 114.38 111.86 3hov h ARG 1020Ca -0.03 -0.21 -0.27 0.00 -1.26 0.00 0.00 59.98 58.22 3hov h ARG 1020Cb 1.36 -0.16 0.09 0.00 -1.65 0.00 0.00 29.97 29.61 3hov h ARG 1020CO 0.12 0.88 -0.69 -1.33 0.56 0.00 0.00 179.97 179.51 3hov n MET 1021N -4.36 -1.60 -3.67 0.04 2.81 0.36 -4.66 117.12 106.05 3hov n MET 1021Ca 0.05 0.89 -0.27 0.00 -1.81 0.00 0.00 57.70 56.55 3hov n MET 1021Cb 0.20 -4.94 -0.10 0.00 -0.71 0.00 0.00 33.22 27.67 3hov n MET 1021CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 3hov n THR 1022N -3.11 1.53 0.18 2.03 5.66 -1.26 -2.48 114.28 116.84 3hov n THR 1022Ca -0.08 -4.83 0.04 0.00 -3.05 0.00 0.00 64.05 56.13 3hov n THR 1022Cb 0.59 -2.10 0.35 0.00 -1.55 0.00 0.00 70.33 67.61 3hov n THR 1022CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 3hov h VAL 1023N 3.88 1.10 -0.82 1.08 2.07 -1.91 -3.05 116.25 118.61 3hov h VAL 1023Ca 0.17 -1.47 0.18 0.00 0.82 0.00 0.00 66.70 66.40 3hov h VAL 1023Cb 0.74 1.84 -0.11 0.00 -1.52 0.00 0.00 31.29 32.23 3hov h VAL 1023CO 0.72 0.39 0.31 0.00 0.02 0.00 0.00 177.57 179.01 3hov h ALA 1024N 1.60 1.20 0.11 1.67 0.00 -1.82 0.48 119.26 122.50 3hov h ALA 1024Ca -0.00 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3hov h ALA 1024Cb 0.80 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3hov h ALA 1024CO 0.05 -0.30 -0.32 1.25 0.00 0.00 0.00 179.25 179.94 3hov h HIS 1025N 0.38 -0.86 -0.92 0.00 6.17 -1.85 0.28 115.15 118.35 3hov h HIS 1025Ca 0.48 0.02 0.16 0.00 0.71 0.00 0.00 60.37 61.74 3hov h HIS 1025Cb 0.83 0.36 -0.08 0.00 2.52 0.00 0.00 27.41 31.05 3hov h HIS 1025CO -0.18 -0.42 0.59 -0.07 0.71 0.00 0.00 177.93 178.55 3hov h LEU 1026N -0.54 0.65 0.09 0.26 3.38 -1.09 -2.41 115.31 115.65 3hov h LEU 1026Ca 0.03 0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.89 3hov h LEU 1026Cb 0.57 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 41.26 3hov h LEU 1026CO -0.19 0.30 -0.70 0.40 0.09 0.00 0.00 178.44 178.34 3hov h ILE 1027N 0.67 1.50 -1.11 1.22 2.04 -0.28 -2.85 117.51 118.71 3hov h ILE 1027Ca 0.48 -2.37 0.31 0.00 1.00 0.00 0.00 64.86 64.28 3hov h ILE 1027Cb 0.81 3.01 -0.07 0.00 -0.74 0.00 0.00 36.82 39.84 3hov h ILE 1027CO -0.23 0.67 0.77 -0.08 0.00 0.00 0.00 178.15 179.28 3hov h GLU 1028N -0.32 0.14 0.25 2.37 4.81 -0.06 0.13 114.58 121.91 3hov h GLU 1028Ca -0.11 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 3hov h GLU 1028Cb 1.50 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.85 3hov h GLU 1028CO 0.13 0.10 -0.12 0.00 -0.73 0.00 0.00 179.01 178.39 3hov h LEU 1030N -0.97 0.84 0.20 0.00 5.85 -0.81 0.82 115.31 121.24 3hov h LEU 1030Ca -0.03 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3hov h LEU 1030Cb 0.47 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3hov h LEU 1030CO 0.06 0.38 -0.09 0.25 -0.34 0.00 0.00 178.44 178.69 3hov h LEU 1031N 0.86 -0.22 -2.17 2.25 5.85 -0.88 -3.14 115.31 117.86 3hov h LEU 1031Ca 0.53 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 3hov h LEU 1031Cb 0.70 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 3hov h LEU 1031CO -0.31 0.21 -0.06 0.28 -0.34 0.00 0.00 178.44 178.21 3hov h SER 1032N -0.71 0.00 -0.28 1.25 0.02 -0.41 -0.21 113.55 113.21 3hov h SER 1032Ca -0.03 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.79 3hov h SER 1032Cb 0.49 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 3hov h SER 1032CO 0.04 0.06 -0.34 0.50 -1.14 0.00 0.00 176.83 175.96 3hov h LYS 1033N 0.00 0.71 0.11 3.45 3.64 -0.89 -2.23 116.57 121.36 3hov h LYS 1033Ca -0.00 -0.40 -0.01 0.00 -1.27 0.00 0.00 60.65 58.97 3hov h LYS 1033Cb 0.22 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3hov h LYS 1033CO 0.01 1.02 -0.05 0.28 -2.27 0.00 0.00 179.45 178.43 3hov h VAL 1034N 0.45 0.00 -1.78 2.00 2.07 -1.27 -2.76 116.25 114.96 3hov h VAL 1034Ca 0.04 -0.02 0.52 0.00 0.82 0.00 0.00 66.70 68.05 3hov h VAL 1034Cb 0.92 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 3hov h VAL 1034CO 0.08 0.00 1.31 0.00 0.02 0.00 0.00 177.57 178.98 3hov n ALA 1035N -2.09 1.71 -0.02 1.67 0.00 -0.18 0.17 120.51 121.77 3hov n ALA 1035Ca -0.02 0.59 -0.17 0.00 0.00 0.00 0.00 53.44 53.84 3hov n ALA 1035Cb 0.06 -1.03 -0.09 0.00 0.00 0.00 0.00 19.45 18.39 3hov n ALA 1035CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hov h ALA 1036N 0.89 0.18 -0.15 0.00 0.00 -1.26 0.67 119.26 119.58 3hov h ALA 1036Ca 0.85 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 3hov h ALA 1036Cb 3.46 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 21.25 3hov h ALA 1036CO -0.01 0.42 -0.13 -0.07 0.00 0.00 0.00 179.25 179.46 3hov h LEU 1037N 0.13 0.38 0.00 0.00 3.38 0.20 -3.29 115.31 116.11 3hov h LEU 1037Ca -0.05 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.45 3hov h LEU 1037Cb 1.24 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3hov h LEU 1037CO 0.12 0.76 -0.04 0.77 0.09 0.00 0.00 178.44 180.14 3hov h SER 1038N -0.01 0.00 -3.12 -0.43 4.64 -1.13 -3.48 113.55 110.02 3hov h SER 1038Ca 0.03 -0.01 -0.31 0.00 -0.47 0.00 0.00 61.79 61.03 3hov h SER 1038Cb 0.65 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.77 3hov h SER 1038CO 0.03 0.00 -0.44 0.61 -0.87 0.00 0.00 176.83 176.17 3hov n GLY 1039N 1.21 -0.23 2.89 -0.77 0.00 0.21 -4.99 105.19 103.51 3hov n GLY 1039Ca 0.05 -0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 3hov n GLY 1039CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hov s ASN 1040N -2.65 2.90 -0.50 1.61 0.01 -1.13 -5.06 114.94 110.13 3hov s ASN 1040Ca 0.16 -0.70 -0.46 0.00 -0.71 0.00 0.00 52.86 51.15 3hov s ASN 1040Cb -0.07 -0.92 -0.20 0.00 0.41 0.00 0.00 41.25 40.47 3hov s ASN 1040CO 0.20 -0.19 1.72 1.21 -1.51 0.00 0.00 177.10 178.54 3hov n GLU 1041N 4.86 0.02 -2.44 -0.60 2.13 -1.26 -4.50 120.64 118.85 3hov n GLU 1041Ca -0.12 0.01 -0.41 0.00 0.66 0.00 0.00 57.16 57.30 3hov n GLU 1041Cb 0.47 -1.51 -0.04 0.00 0.27 0.00 0.00 31.44 30.63 3hov n GLU 1041CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3hov s GLY 1042N 3.68 2.95 -0.36 8.31 0.00 -0.49 -4.96 107.32 116.45 3hov s GLY 1042Ca 1.08 0.91 -0.12 0.00 0.00 0.00 0.00 44.72 46.59 3hov s GLY 1042CO 0.78 1.62 0.23 -0.35 0.00 0.00 0.00 173.10 175.38 3hov s ASP 1043N -0.54 5.92 -0.15 1.64 3.68 -1.26 -0.77 116.67 125.18 3hov s ASP 1043Ca 0.47 -0.67 0.17 0.00 2.13 0.00 0.00 52.55 54.66 3hov s ASP 1043Cb -0.32 -2.10 0.35 0.00 -1.45 0.00 0.00 42.92 39.40 3hov s ASP 1043CO 0.40 -0.31 1.21 0.00 0.13 0.00 0.00 175.17 176.60 3hov n ALA 1044N 5.08 2.61 -1.63 3.66 0.00 0.23 -4.84 120.51 125.61 3hov n ALA 1044Ca -0.12 -2.69 -0.37 0.00 0.00 0.00 0.00 53.44 50.26 3hov n ALA 1044Cb 0.48 -0.44 0.07 0.00 0.00 0.00 0.00 19.45 19.57 3hov n ALA 1044CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hov n SER 1045N -1.26 1.43 0.00 0.00 7.64 -0.49 -0.80 113.62 120.13 3hov n SER 1045Ca 0.18 0.79 0.00 0.00 1.01 0.00 0.00 58.87 60.85 3hov n SER 1045Cb 0.69 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 3hov n SER 1045CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3hov n PRO 1046N -1.68 0.00 -2.89 1.43 -0.02 -1.26 -4.05 135.00 126.53 3hov n PRO 1046Ca 0.15 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.20 3hov n PRO 1046Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.93 3hov n PRO 1046CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3hov s PHE 1047N 0.00 2.87 0.00 6.00 0.40 -1.26 -4.78 117.98 121.21 3hov s PHE 1047Ca 0.00 -0.92 0.00 0.00 -0.60 0.00 0.00 56.93 55.41 3hov s PHE 1047Cb 0.00 -4.28 0.00 0.00 0.51 0.00 0.00 43.02 39.25 3hov s PHE 1047CO 0.00 -1.57 0.00 0.25 0.70 0.00 0.00 175.22 174.60 3hov n THR 1048N 5.75 0.00 -1.43 0.64 -2.24 -1.26 -4.99 114.28 110.76 3hov n THR 1048Ca 0.08 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.89 3hov n THR 1048Cb 0.47 -0.27 0.20 0.00 -2.10 0.00 0.00 70.33 68.63 3hov n THR 1048CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hov n ASP 1049N -0.47 2.25 -4.89 3.42 8.00 -1.26 -5.02 116.55 118.59 3hov n ASP 1049Ca 0.00 -3.68 -0.30 0.00 0.71 0.00 0.00 54.79 51.52 3hov n ASP 1049Cb 0.00 -0.56 -0.04 0.00 -0.02 0.00 0.00 41.12 40.50 3hov n ASP 1049CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hov s ILE 1050N -3.16 4.97 0.06 0.53 1.01 -1.26 -5.01 121.20 118.34 3hov s ILE 1050Ca 0.40 0.23 -0.10 0.00 0.00 0.00 0.00 60.65 61.19 3hov s ILE 1050Cb 0.37 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 39.14 3hov s ILE 1050CO -0.02 -0.28 0.20 0.42 0.00 0.00 0.00 174.94 175.27 3hov s THR 1051N -2.05 0.12 0.44 2.92 -4.23 -1.26 -4.97 115.64 106.62 3hov s THR 1051Ca 0.46 -1.00 0.15 0.00 -1.18 0.00 0.00 61.69 60.12 3hov s THR 1051Cb -0.11 -1.11 0.34 0.00 1.34 0.00 0.00 72.50 72.96 3hov s THR 1051CO 0.28 -0.55 1.97 0.58 -0.54 0.00 0.00 174.62 176.36 3hov h VAL 1052N 3.11 0.86 -0.42 2.29 2.07 -1.99 0.39 116.25 122.57 3hov h VAL 1052Ca -0.33 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 3hov h VAL 1052Cb 1.20 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 3hov h VAL 1052CO 0.52 0.07 0.06 -0.33 0.02 0.00 0.00 177.57 177.91 3hov h GLU 1053N 0.38 0.69 0.41 1.57 4.39 -1.95 -0.53 114.58 119.53 3hov h GLU 1053Ca 0.29 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 3hov h GLU 1053Cb 0.64 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 3hov h GLU 1053CO -0.08 0.73 -0.19 0.78 -1.16 0.00 0.00 179.01 179.09 3hov h GLY 1054N 0.54 -0.57 0.93 -3.84 0.00 -1.37 -2.85 103.07 95.91 3hov h GLY 1054Ca 0.13 0.21 0.09 0.00 0.00 0.00 0.00 47.33 47.75 3hov h GLY 1054CO 0.01 -0.21 0.49 -2.22 0.00 0.00 0.00 176.54 174.61 3hov h ILE 1055N -0.70 0.96 -0.95 2.60 2.04 -1.21 -0.51 117.51 119.75 3hov h ILE 1055Ca -0.06 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 3hov h ILE 1055Cb 0.50 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 3hov h ILE 1055CO 0.09 0.12 0.58 0.28 0.00 0.00 0.00 178.15 179.23 3hov h SER 1056N 0.68 1.13 -0.67 1.72 0.02 -0.96 -1.88 113.55 113.60 3hov h SER 1056Ca 0.34 -0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.26 3hov h SER 1056Cb 0.41 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 3hov h SER 1056CO -0.12 0.85 0.41 0.11 -1.14 0.00 0.00 176.83 176.95 3hov h LYS 1057N 1.30 0.78 -0.32 3.45 1.57 -0.86 -1.71 116.57 120.79 3hov h LYS 1057Ca 0.34 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 59.00 3hov h LYS 1057Cb -0.07 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 3hov h LYS 1057CO -0.07 0.52 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.17 3hov h LEU 1058N 0.81 0.63 -2.36 2.94 3.38 -1.31 -0.30 115.31 119.10 3hov h LEU 1058Ca 0.27 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3hov h LEU 1058Cb 0.03 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3hov h LEU 1058CO -0.11 0.86 -0.04 0.25 0.09 0.00 0.00 178.44 179.49 3hov h LEU 1059N 0.40 0.00 0.09 1.67 5.85 -1.04 0.68 115.31 122.96 3hov h LEU 1059Ca 0.08 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.51 3hov h LEU 1059Cb 0.60 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3hov h LEU 1059CO 0.03 0.04 -1.46 -0.09 -0.34 0.00 0.00 178.44 176.63 3hov h ARG 1060N 0.00 0.19 0.00 1.25 9.65 -1.04 -3.02 114.38 121.41 3hov h ARG 1060Ca -0.00 -0.32 0.00 0.00 -1.10 0.00 0.00 59.98 58.56 3hov h ARG 1060Cb 0.13 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 3hov h ARG 1060CO 0.00 1.03 0.00 0.39 2.80 0.00 0.00 179.97 184.20 3hov n GLU 1061N -3.40 0.17 0.00 0.20 1.02 0.19 -0.90 120.64 117.91 3hov n GLU 1061Ca -0.14 0.10 0.03 0.00 -0.02 0.00 0.00 57.16 57.14 3hov n GLU 1061Cb 1.03 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 3hov n GLU 1061CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3hov n HIS 1062N -1.13 0.00 0.00 -0.32 8.25 -0.94 -5.02 115.22 116.06 3hov n HIS 1062Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3hov n HIS 1062Cb 0.04 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.15 3hov n HIS 1062CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hov n GLY 1063N 0.68 3.28 3.84 -1.41 0.00 -0.08 -5.07 105.19 106.42 3hov n GLY 1063Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3hov n GLY 1063CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hov s TYR 1064N -2.85 3.41 0.37 1.61 1.51 -1.15 -4.99 117.35 115.27 3hov s TYR 1064Ca 0.00 1.27 -0.22 0.00 -1.01 0.00 0.00 57.07 57.10 3hov s TYR 1064Cb 0.00 -2.57 -0.16 0.00 -0.11 0.00 0.00 41.96 39.12 3hov s TYR 1064CO 0.00 0.12 0.17 0.94 -1.11 0.00 0.00 175.55 175.66 3hov n GLN 1065N -0.21 0.01 0.25 -0.62 -0.06 -1.26 -3.88 117.38 111.60 3hov n GLN 1065Ca 0.03 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 55.15 3hov n GLN 1065Cb 0.53 -1.01 0.67 0.00 -4.06 0.00 0.00 30.24 26.37 3hov n GLN 1065CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3hov h SER 1066N 0.44 0.00 -0.48 1.69 0.87 -1.85 -3.18 113.55 111.04 3hov h SER 1066Ca -0.35 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 3hov h SER 1066Cb 1.44 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.40 3hov h SER 1066CO 0.49 0.14 0.00 0.54 -0.53 0.00 0.00 176.83 177.47 3hov n ARG 1067N -3.66 2.67 0.00 2.24 5.12 -1.26 -4.45 116.66 117.32 3hov n ARG 1067Ca -0.02 -2.26 0.00 0.00 -1.93 0.00 0.00 57.85 53.64 3hov n ARG 1067Cb 0.27 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.16 3hov n ARG 1067CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hov n GLY 1068N 1.04 2.82 1.27 -0.13 0.00 -1.20 -4.96 105.19 104.02 3hov n GLY 1068Ca 0.17 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 3hov n GLY 1068CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hov n PHE 1069N 0.00 -0.96 -3.82 1.61 3.01 -1.26 -4.08 117.46 111.96 3hov n PHE 1069Ca 0.00 0.21 -0.10 0.00 1.01 0.00 0.00 57.45 58.57 3hov n PHE 1069Cb 0.00 -0.67 -0.07 0.00 -0.01 0.00 0.00 39.48 38.72 3hov n PHE 1069CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3hov s GLU 1070N -0.39 0.81 0.29 -1.08 2.02 -1.00 -4.33 118.70 115.02 3hov s GLU 1070Ca 0.22 -0.77 -0.25 0.00 0.02 0.00 0.00 54.97 54.19 3hov s GLU 1070Cb -0.22 0.33 -0.09 0.00 0.10 0.00 0.00 34.13 34.25 3hov s GLU 1070CO 0.25 -0.25 0.89 0.08 0.02 0.00 0.00 175.26 176.24 3hov s VAL 1071N -3.26 4.29 0.05 2.63 1.01 -1.26 -1.74 120.40 122.11 3hov s VAL 1071Ca 0.00 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.70 3hov s VAL 1071Cb 0.02 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 3hov s VAL 1071CO -0.08 0.19 -0.04 -0.04 0.00 0.00 0.00 175.10 175.14 3hov s MET 1072N -1.95 0.56 -0.02 2.72 -1.94 -1.26 -4.25 119.30 113.16 3hov s MET 1072Ca 0.47 -1.02 0.05 0.00 -1.71 0.00 0.00 55.69 53.48 3hov s MET 1072Cb -0.19 0.06 -0.03 0.00 2.01 0.00 0.00 34.83 36.69 3hov s MET 1072CO 0.24 -0.06 -0.15 0.71 -0.01 0.00 0.00 175.02 175.75 3hov s TYR 1073N -2.92 2.67 -0.53 -0.03 1.51 0.24 -0.47 117.35 117.82 3hov s TYR 1073Ca -0.00 -0.18 -0.28 0.00 -1.01 0.00 0.00 57.07 55.60 3hov s TYR 1073Cb 0.01 -1.59 0.01 0.00 -0.11 0.00 0.00 41.96 40.28 3hov s TYR 1073CO -0.06 0.21 1.47 1.21 -1.11 0.00 0.00 175.55 177.27 3hov s ASN 1074N -0.94 6.09 0.56 2.29 3.84 -0.07 -1.62 114.94 125.09 3hov s ASN 1074Ca 0.13 0.44 0.18 0.00 0.21 0.00 0.00 52.86 53.81 3hov s ASN 1074Cb -0.11 -2.54 0.63 0.00 -0.55 0.00 0.00 41.25 38.68 3hov s ASN 1074CO 0.02 -1.71 1.11 0.61 -2.79 0.00 0.00 177.10 174.34 3hov n GLY 1075N 5.27 -0.63 0.11 1.21 0.00 -1.23 0.18 105.19 110.10 3hov n GLY 1075Ca 0.14 0.25 -0.20 0.00 0.00 0.00 0.00 46.02 46.21 3hov n GLY 1075CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3hov h HIS 1076N 0.00 0.45 0.00 1.61 3.86 -1.78 -3.40 115.15 115.89 3hov h HIS 1076Ca 0.34 -0.33 -0.29 0.00 -1.16 0.00 0.00 60.37 58.93 3hov h HIS 1076Cb 2.46 -0.02 -0.05 0.00 1.06 0.00 0.00 27.41 30.86 3hov h HIS 1076CO 0.00 1.38 -2.16 0.25 0.86 0.00 0.00 177.93 178.26 3hov n THR 1077N -4.10 1.21 0.00 2.45 -2.24 -0.65 -4.98 114.28 105.97 3hov n THR 1077Ca -0.18 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 3hov n THR 1077Cb 0.82 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 3hov n THR 1077CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hov n GLY 1078N 1.62 2.21 3.44 3.38 0.00 0.13 -5.02 105.19 110.96 3hov n GLY 1078Ca -0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 3hov n GLY 1078CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hov s LYS 1079N -0.37 -1.51 0.86 1.61 2.20 -1.26 -4.53 119.74 116.73 3hov s LYS 1079Ca 0.00 0.57 -0.12 0.00 -0.36 0.00 0.00 55.97 56.06 3hov s LYS 1079Cb 0.00 -1.51 0.14 0.00 -1.51 0.00 0.00 37.83 34.95 3hov s LYS 1079CO 0.00 -4.05 1.21 0.15 -0.36 0.00 0.00 175.35 172.30 3hov s LYS 1080N -4.68 1.37 -0.20 4.03 1.02 -1.26 -0.89 119.74 119.13 3hov s LYS 1080Ca 0.68 -0.28 -0.03 0.00 0.02 0.00 0.00 55.97 56.36 3hov s LYS 1080Cb -0.21 -1.97 -0.01 0.00 -0.52 0.00 0.00 37.83 35.12 3hov s LYS 1080CO 0.62 -1.90 -0.06 -0.51 -0.92 0.00 0.00 175.35 172.58 3hov s LEU 1081N -5.64 2.90 0.64 3.17 1.43 0.38 -4.47 118.68 117.09 3hov s LEU 1081Ca 0.67 -0.36 0.23 0.00 -1.03 0.00 0.00 54.13 53.64 3hov s LEU 1081Cb -0.07 -1.72 1.12 0.00 0.03 0.00 0.00 46.19 45.55 3hov s LEU 1081CO 0.50 0.02 1.61 -0.03 0.23 0.00 0.00 176.35 178.69 3hov h MET 1082N 7.78 0.00 -6.17 1.70 1.85 -1.97 -3.40 114.93 114.72 3hov h MET 1082Ca -0.38 0.00 -0.50 0.00 -0.61 0.00 0.00 59.70 58.20 3hov h MET 1082Cb 1.17 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 33.16 3hov h MET 1082CO 0.60 0.00 -0.43 0.00 -0.40 0.00 0.00 176.91 176.68 3hov s ALA 1083N -4.27 3.87 -0.04 0.39 0.00 -1.26 -5.12 121.76 115.34 3hov s ALA 1083Ca -0.03 -1.77 0.03 0.00 0.00 0.00 0.00 51.96 50.19 3hov s ALA 1083Cb 0.10 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 3hov s ALA 1083CO 0.32 -0.08 -0.10 -0.65 0.00 0.00 0.00 175.76 175.26 3hov s GLN 1084N -4.02 2.58 -0.13 0.00 1.11 -1.26 -4.41 119.66 113.52 3hov s GLN 1084Ca 0.43 -0.66 -0.02 0.00 0.01 0.00 0.00 55.36 55.12 3hov s GLN 1084Cb -0.04 -2.48 -0.03 0.00 -1.01 0.00 0.00 33.01 29.45 3hov s GLN 1084CO 0.26 0.63 -0.05 0.42 0.01 0.00 0.00 175.29 176.56 3hov s ILE 1085N -0.85 3.77 -0.05 1.08 1.09 -0.71 -4.79 121.20 120.74 3hov s ILE 1085Ca 0.14 -0.41 -0.30 0.00 -1.10 0.00 0.00 60.65 58.97 3hov s ILE 1085Cb -0.11 -2.62 -0.08 0.00 -1.06 0.00 0.00 42.46 38.59 3hov s ILE 1085CO 0.03 0.52 2.04 0.33 -0.10 0.00 0.00 174.94 177.76 3hov n PHE 1086N 3.22 2.34 -4.35 3.97 7.35 -1.26 -2.37 117.46 126.35 3hov n PHE 1086Ca -0.18 -0.27 -0.23 0.00 -0.76 0.00 0.00 57.45 56.02 3hov n PHE 1086Cb 0.53 -2.77 -0.11 0.00 0.35 0.00 0.00 39.48 37.48 3hov n PHE 1086CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 3hov s PHE 1087N 5.49 1.93 0.00 -5.13 5.99 -1.26 -2.46 117.98 122.55 3hov s PHE 1087Ca 0.93 -0.44 0.00 0.00 0.00 0.00 0.00 56.93 57.42 3hov s PHE 1087Cb -0.44 -0.96 0.00 0.00 0.00 0.00 0.00 43.02 41.62 3hov s PHE 1087CO 0.41 0.37 0.00 0.41 -0.00 0.00 0.00 175.22 176.42 3hov n GLY 1088N 0.27 4.34 3.73 13.12 0.00 -1.03 -4.75 105.19 120.87 3hov n GLY 1088Ca -0.13 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 3hov n GLY 1088CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hov s PRO 1089N -2.94 1.73 -0.28 1.61 0.04 -1.26 -1.74 135.00 132.16 3hov s PRO 1089Ca 0.00 1.29 -0.17 0.00 0.04 0.00 0.00 61.00 62.16 3hov s PRO 1089Cb 0.00 -1.83 0.10 0.00 0.04 0.00 0.00 34.50 32.81 3hov s PRO 1089CO 0.00 -2.05 0.78 0.99 0.04 0.00 0.00 177.00 176.77 3hov s THR 1090N -2.81 0.00 0.20 1.26 2.01 -0.88 -4.32 115.64 111.09 3hov s THR 1090Ca 0.63 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.33 3hov s THR 1090Cb -0.19 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.23 3hov s THR 1090CO 0.57 0.00 1.40 -0.47 -0.69 0.00 0.00 174.62 175.42 3hov s TYR 1091N 1.37 3.16 -0.04 4.92 5.04 -1.26 -1.92 117.35 128.62 3hov s TYR 1091Ca -0.08 1.04 0.01 0.00 -2.44 0.00 0.00 57.07 55.60 3hov s TYR 1091Cb -0.05 -3.72 0.02 0.00 0.35 0.00 0.00 41.96 38.56 3hov s TYR 1091CO -0.16 -2.40 -0.05 0.71 -1.34 0.00 0.00 175.55 172.31 3hov s TYR 1092N 0.37 0.69 -0.13 4.97 1.51 -0.20 -4.43 117.35 120.14 3hov s TYR 1092Ca 0.60 -0.17 -0.10 0.00 -1.01 0.00 0.00 57.07 56.40 3hov s TYR 1092Cb -0.39 -0.59 -0.05 0.00 -0.11 0.00 0.00 41.96 40.82 3hov s TYR 1092CO 0.38 -0.15 0.19 -0.65 -1.11 0.00 0.00 175.55 174.21 3hov s GLN 1093N 0.70 3.77 -0.70 -0.62 -0.21 0.19 -1.80 119.66 121.00 3hov s GLN 1093Ca -0.09 -0.05 -0.15 0.00 0.02 0.00 0.00 55.36 55.08 3hov s GLN 1093Cb -0.12 -3.28 0.17 0.00 1.00 0.00 0.00 33.01 30.78 3hov s GLN 1093CO 0.00 0.59 0.67 0.50 -2.12 0.00 0.00 175.29 174.93 3hov s ARG 1094N -0.54 3.31 0.67 2.91 3.52 -1.26 -0.88 118.95 126.69 3hov s ARG 1094Ca 0.15 -2.04 -0.11 0.00 -0.13 0.00 0.00 55.73 53.60 3hov s ARG 1094Cb -0.12 -4.39 -0.01 0.00 -1.56 0.00 0.00 34.95 28.87 3hov s ARG 1094CO 0.04 -1.35 1.05 -0.48 -0.81 0.00 0.00 175.30 173.75 3hov s LEU 1095N 1.06 3.17 1.43 -0.88 0.05 -1.25 -3.13 118.68 119.13 3hov s LEU 1095Ca 0.12 1.58 -0.23 0.00 0.05 0.00 0.00 54.13 55.65 3hov s LEU 1095Cb -0.19 -4.49 0.37 0.00 -2.05 0.00 0.00 46.19 39.82 3hov s LEU 1095CO -0.03 -1.29 0.85 -1.14 -0.55 0.00 0.00 176.35 174.19 3hov n ARG 1096N -2.99 -4.54 -0.93 1.48 0.63 -0.57 -4.71 116.66 105.03 3hov n ARG 1096Ca 0.07 -1.35 0.00 0.00 -0.92 0.00 0.00 57.85 55.66 3hov n ARG 1096Cb 0.54 -1.92 0.00 0.00 0.45 0.00 0.00 32.46 31.53 3hov n ARG 1096CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3hov n HIS 1097N -5.70 0.00 -4.31 -0.14 8.25 -1.26 -4.81 115.22 107.25 3hov n HIS 1097Ca 0.12 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.25 3hov n HIS 1097Cb 0.58 -0.93 -0.09 0.00 1.12 0.00 0.00 29.99 30.67 3hov n HIS 1097CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3hov s MET 1098N -2.20 2.81 0.20 -0.41 -1.94 -1.26 -3.32 119.30 113.17 3hov s MET 1098Ca 0.00 -0.58 -0.17 0.00 -1.71 0.00 0.00 55.69 53.23 3hov s MET 1098Cb 0.00 -2.68 0.19 0.00 2.01 0.00 0.00 34.83 34.35 3hov s MET 1098CO 0.00 0.64 1.60 -0.24 -0.01 0.00 0.00 175.02 177.01 3hov h VAL 1099N 3.63 0.24 0.00 -6.03 3.04 -1.94 -1.69 116.25 113.49 3hov h VAL 1099Ca -0.49 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 3hov h VAL 1099Cb 1.18 0.24 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 3hov h VAL 1099CO 0.57 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.60 3hov n ASP 1100N -5.45 0.00 -0.00 3.17 8.00 -1.26 0.80 116.55 121.81 3hov n ASP 1100Ca 0.06 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.64 3hov n ASP 1100Cb 0.35 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.36 3hov n ASP 1100CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3hov n ASP 1101N -0.92 0.87 -0.07 -2.24 8.00 -0.64 -4.67 116.55 116.88 3hov n ASP 1101Ca 0.00 -0.67 -0.09 0.00 0.71 0.00 0.00 54.79 54.74 3hov n ASP 1101Cb 0.00 1.16 -0.03 0.00 -0.02 0.00 0.00 41.12 42.23 3hov n ASP 1101CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hov n LYS 1102N -1.52 0.42 -0.61 -1.24 5.02 0.24 -5.00 118.16 115.47 3hov n LYS 1102Ca 0.02 0.17 -0.25 0.00 -2.02 0.00 0.00 58.31 56.22 3hov n LYS 1102Cb 0.28 -1.24 -0.04 0.00 -0.02 0.00 0.00 35.03 34.01 3hov n LYS 1102CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 3hov n ILE 1103N -4.23 0.00 -4.00 -0.18 3.06 -0.31 -4.92 119.36 108.79 3hov n ILE 1103Ca -0.14 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 59.98 3hov n ILE 1103Cb 0.45 -0.20 -0.13 0.00 0.54 0.00 0.00 39.64 40.31 3hov n ILE 1103CO 0.00 0.00 0.00 -2.28 -2.50 0.00 0.00 176.55 171.77 3hov s HIS 1104N 1.62 0.28 -0.04 9.51 2.46 -1.26 -4.99 115.29 122.88 3hov s HIS 1104Ca 0.43 -0.22 -0.19 0.00 0.47 0.00 0.00 55.06 55.55 3hov s HIS 1104Cb -0.59 -0.18 0.04 0.00 -0.13 0.00 0.00 32.58 31.72 3hov s HIS 1104CO 0.30 -0.06 0.41 0.00 -2.47 0.00 0.00 174.74 172.92 3hov s ALA 1105N -0.59 -1.06 -0.11 1.58 0.00 -1.26 -5.12 121.76 115.21 3hov s ALA 1105Ca -0.05 0.66 -0.20 0.00 0.00 0.00 0.00 51.96 52.37 3hov s ALA 1105Cb -0.04 -0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.10 3hov s ALA 1105CO -0.00 -0.28 0.50 0.50 0.00 0.00 0.00 175.76 176.47 3hov s ARG 1106N -1.14 0.73 -0.34 0.00 3.52 -1.26 -5.03 118.95 115.43 3hov s ARG 1106Ca -0.12 0.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.83 3hov s ARG 1106Cb -0.04 0.34 0.14 0.00 -1.56 0.00 0.00 34.95 33.84 3hov s ARG 1106CO 0.05 -0.17 0.27 0.00 -0.81 0.00 0.00 175.30 174.65 3hov s ALA 1107N -0.54 0.16 0.31 6.12 0.00 -1.26 -5.03 121.76 121.51 3hov s ALA 1107Ca -0.07 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.74 3hov s ALA 1107Cb -0.03 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.33 3hov s ALA 1107CO 0.04 -1.98 0.00 0.54 0.00 0.00 0.00 175.76 174.36 3hov n ARG 1108N 4.53 -3.38 -3.42 0.00 1.74 -1.26 -5.10 116.66 109.77 3hov n ARG 1108Ca 0.06 2.48 0.00 0.00 -0.77 0.00 0.00 57.85 59.62 3hov n ARG 1108Cb 0.42 -2.75 0.00 0.00 -1.02 0.00 0.00 32.46 29.11 3hov n ARG 1108CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hov n GLY 1109N -0.30 -1.01 2.32 -0.13 0.00 -1.26 -5.13 105.19 99.67 3hov n GLY 1109Ca 0.00 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 3hov n GLY 1109CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hov n PRO 1110N 0.00 0.00 -4.72 1.61 -0.04 -1.26 -4.86 135.00 125.73 3hov n PRO 1110Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 3hov n PRO 1110Cb 0.00 -0.88 -0.14 0.00 -0.04 0.00 0.00 33.50 32.43 3hov n PRO 1110CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3hov s MET 1111N -0.24 1.47 1.25 0.54 -1.94 -1.26 -2.21 119.30 116.91 3hov s MET 1111Ca 0.54 -0.93 -0.17 0.00 -1.71 0.00 0.00 55.69 53.42 3hov s MET 1111Cb -0.77 -1.57 0.28 0.00 2.01 0.00 0.00 34.83 34.78 3hov s MET 1111CO 0.38 0.41 0.71 0.94 -0.01 0.00 0.00 175.02 177.44 3hov n GLN 1112N 1.94 -3.03 -0.11 2.03 7.27 0.46 -4.77 117.38 121.17 3hov n GLN 1112Ca -0.17 -0.88 -0.14 0.00 0.07 0.00 0.00 57.00 55.88 3hov n GLN 1112Cb 0.53 -1.94 -0.12 0.00 2.41 0.00 0.00 30.24 31.13 3hov n GLN 1112CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3hov n VAL 1113N -5.10 1.32 -0.07 1.69 0.31 -1.26 -3.34 118.33 111.87 3hov n VAL 1113Ca 0.05 -0.57 -0.13 0.00 -0.01 0.00 0.00 64.34 63.68 3hov n VAL 1113Cb 0.56 -1.14 -0.12 0.00 -0.91 0.00 0.00 33.84 32.23 3hov n VAL 1113CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3hov h LEU 1114N 0.00 0.00 -0.58 7.52 5.85 -1.97 -3.37 115.31 122.76 3hov h LEU 1114Ca -0.51 -0.89 -0.13 0.00 0.84 0.00 0.00 57.88 57.18 3hov h LEU 1114Cb 1.88 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.89 3hov h LEU 1114CO -0.06 0.99 -0.63 0.74 -0.34 0.00 0.00 178.44 179.14 3hov h THR 1115N -1.00 1.31 -0.71 1.05 2.02 -1.98 -3.47 112.91 110.13 3hov h THR 1115Ca -0.02 -2.26 -0.30 0.00 0.77 0.00 0.00 66.41 64.60 3hov h THR 1115Cb 0.94 2.27 -0.12 0.00 -1.74 0.00 0.00 68.15 69.50 3hov h THR 1115CO -0.01 0.62 -0.27 0.54 0.37 0.00 0.00 175.52 176.76 3hov n ARG 1116N -3.59 -1.03 -4.00 6.66 5.12 -1.21 -4.26 116.66 114.36 3hov n ARG 1116Ca -0.00 1.02 -0.22 0.00 -1.93 0.00 0.00 57.85 56.71 3hov n ARG 1116Cb 0.67 -5.14 -0.05 0.00 -1.16 0.00 0.00 32.46 26.77 3hov n ARG 1116CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3hov s GLN 1117N -3.26 2.49 0.16 5.56 -0.21 -1.26 -4.60 119.66 118.54 3hov s GLN 1117Ca 0.00 -1.46 -0.34 0.00 0.02 0.00 0.00 55.36 53.58 3hov s GLN 1117Cb 0.00 -2.28 -0.14 0.00 1.00 0.00 0.00 33.01 31.59 3hov s GLN 1117CO 0.00 0.10 1.53 -2.30 -2.12 0.00 0.00 175.29 172.50 3hov n PRO 1118N -1.23 2.04 -0.80 2.91 -0.02 -1.26 0.17 135.00 136.81 3hov n PRO 1118Ca -0.03 0.74 -0.31 0.00 -2.02 0.00 0.00 63.50 61.88 3hov n PRO 1118Cb 0.61 -2.48 0.16 0.00 -0.02 0.00 0.00 33.50 31.77 3hov n PRO 1118CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3hov s VAL 1119N 0.74 2.31 -0.12 -1.45 -7.23 -0.94 -4.66 120.40 109.06 3hov s VAL 1119Ca 0.78 0.10 -0.05 0.00 -1.81 0.00 0.00 61.98 61.00 3hov s VAL 1119Cb -0.70 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 3hov s VAL 1119CO 0.40 -0.13 0.07 -0.70 -0.31 0.00 0.00 175.10 174.43 3hov s GLU 1120N -4.69 3.38 0.00 4.82 2.12 -1.26 -2.59 118.70 120.47 3hov s GLU 1120Ca 0.66 -0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.70 3hov s GLU 1120Cb -0.22 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.14 3hov s GLU 1120CO 0.58 0.64 0.00 0.41 -0.54 0.00 0.00 175.26 176.35 3hov n GLY 1121N 2.38 3.08 0.34 -1.50 0.00 -1.26 -4.69 105.19 103.54 3hov n GLY 1121Ca -0.19 -1.23 0.03 0.00 0.00 0.00 0.00 46.02 44.64 3hov n GLY 1121CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hov h ARG 1122N 0.00 0.98 -0.30 1.61 2.43 -1.95 -0.25 114.38 116.90 3hov h ARG 1122Ca 0.00 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3hov h ARG 1122Cb 0.00 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.30 3hov h ARG 1122CO 0.00 0.65 0.10 0.66 -1.51 0.00 0.00 179.97 179.86 3hov h SER 1123N 1.00 0.10 0.00 -3.80 4.64 -1.97 -1.40 113.55 112.13 3hov h SER 1123Ca 0.42 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 3hov h SER 1123Cb 0.26 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3hov h SER 1123CO -0.20 0.09 0.00 0.54 -0.87 0.00 0.00 176.83 176.39 3hov n ARG 1124N -5.03 0.96 -2.18 4.77 1.74 -0.77 -4.88 116.66 111.26 3hov n ARG 1124Ca -0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 3hov n ARG 1124Cb 0.11 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.06 3hov n ARG 1124CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3hov n ASP 1125N -0.99 -2.94 -2.87 0.55 2.03 -0.39 -4.81 116.55 107.14 3hov n ASP 1125Ca 0.22 -0.02 -0.12 0.00 0.52 0.00 0.00 54.79 55.40 3hov n ASP 1125Cb 0.10 -2.22 0.09 0.00 -0.72 0.00 0.00 41.12 38.38 3hov n ASP 1125CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hov n GLY 1126N -1.01 -2.15 3.75 0.27 0.00 -0.24 -4.60 105.19 101.21 3hov n GLY 1126Ca -0.09 -1.54 -0.24 0.00 0.00 0.00 0.00 46.02 44.15 3hov n GLY 1126CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hov s GLY 1127N -3.57 2.23 0.69 -0.02 0.00 -1.07 -4.75 107.32 100.82 3hov s GLY 1127Ca 0.29 -2.02 -0.08 0.00 0.00 0.00 0.00 44.72 42.90 3hov s GLY 1127CO 0.21 -1.86 1.03 1.08 0.00 0.00 0.00 173.10 173.57 3hov s LEU 1128N -3.91 2.91 -0.21 0.66 1.43 -1.26 -4.72 118.68 113.58 3hov s LEU 1128Ca 0.41 0.76 -0.13 0.00 -1.03 0.00 0.00 54.13 54.14 3hov s LEU 1128Cb 0.02 -3.47 -0.05 0.00 0.03 0.00 0.00 46.19 42.72 3hov s LEU 1128CO 0.23 -1.42 0.27 -0.60 0.23 0.00 0.00 176.35 175.06 3hov s ARG 1129N -5.25 4.15 -1.01 1.70 3.52 -1.26 -4.97 118.95 115.82 3hov s ARG 1129Ca 0.58 -0.03 -0.09 0.00 -0.13 0.00 0.00 55.73 56.07 3hov s ARG 1129Cb -0.11 -3.51 0.25 0.00 -1.56 0.00 0.00 34.95 30.02 3hov s ARG 1129CO 0.47 0.06 0.97 0.12 -0.81 0.00 0.00 175.30 176.12 3hov s PHE 1130N 1.03 4.09 0.57 5.12 5.36 -1.26 -5.02 117.98 127.87 3hov s PHE 1130Ca 0.13 -2.62 -0.05 0.00 -0.96 0.00 0.00 56.93 53.44 3hov s PHE 1130Cb -0.14 -3.72 0.12 0.00 -0.34 0.00 0.00 43.02 38.95 3hov s PHE 1130CO 0.05 -0.92 0.79 0.41 -1.46 0.00 0.00 175.22 174.09 3hov n GLY 1131N 2.91 -0.16 0.36 13.12 0.00 -1.26 -4.78 105.19 115.37 3hov n GLY 1131Ca 0.21 -1.88 0.04 0.00 0.00 0.00 0.00 46.02 44.39 3hov n GLY 1131CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hov n GLU 1132N -2.55 -0.12 -0.09 1.61 1.02 -1.26 -1.19 120.64 118.05 3hov n GLU 1132Ca 0.11 1.52 -0.00 0.00 -0.02 0.00 0.00 57.16 58.78 3hov n GLU 1132Cb 0.41 -2.27 0.28 0.00 -0.02 0.00 0.00 31.44 29.84 3hov n GLU 1132CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 3hov h MET 1133N 0.00 0.73 0.00 3.49 2.86 -2.00 -1.10 114.93 118.91 3hov h MET 1133Ca 0.44 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.92 3hov h MET 1133Cb 0.68 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 3hov h MET 1133CO -1.00 0.60 -0.24 0.93 1.06 0.00 0.00 176.91 178.26 3hov h GLU 1134N 0.72 0.00 0.07 1.72 3.07 -1.50 -2.59 114.58 116.07 3hov h GLU 1134Ca 0.18 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.03 3hov h GLU 1134Cb 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 3hov h GLU 1134CO -0.02 0.24 -0.04 -0.09 -1.40 0.00 0.00 179.01 177.71 3hov h ARG 1135N 0.00 -0.09 -0.34 2.33 2.43 -0.25 -2.65 114.38 115.80 3hov h ARG 1135Ca -0.00 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.24 3hov h ARG 1135Cb 1.01 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 30.49 3hov h ARG 1135CO 0.03 0.28 -0.35 -0.44 -1.51 0.00 0.00 179.97 177.98 3hov h ASP 1136N -0.49 -1.15 -0.99 -3.80 3.32 -1.18 -0.54 116.42 111.60 3hov h ASP 1136Ca -0.01 0.19 0.24 0.00 0.02 0.00 0.00 57.03 57.46 3hov h ASP 1136Cb 0.42 0.52 -0.09 0.00 0.22 0.00 0.00 39.33 40.40 3hov h ASP 1136CO 0.02 -0.34 0.64 0.00 -1.72 0.00 0.00 179.24 177.84 3hov h MET 1138N 0.44 0.37 -0.92 0.00 2.86 -0.76 -1.60 114.93 115.32 3hov h MET 1138Ca 0.55 -0.28 0.11 0.00 -2.06 0.00 0.00 59.70 58.02 3hov h MET 1138Cb 1.32 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.96 3hov h MET 1138CO -0.26 0.90 0.59 0.82 1.06 0.00 0.00 176.91 180.02 3hov h ILE 1139N -0.08 0.95 0.30 -1.22 2.04 -0.08 0.20 117.51 119.61 3hov h ILE 1139Ca -0.01 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 3hov h ILE 1139Cb 0.94 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 3hov h ILE 1139CO 0.07 0.16 -0.14 0.00 0.00 0.00 0.00 178.15 178.23 3hov h ALA 1140N 1.55 -0.40 0.00 1.87 0.00 -0.49 -1.34 119.26 120.45 3hov h ALA 1140Ca 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3hov h ALA 1140Cb 0.46 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3hov h ALA 1140CO -0.20 -0.72 0.00 0.45 0.00 0.00 0.00 179.25 178.78 3hov h HIS 1141N -0.42 0.00 -0.30 0.00 3.86 0.01 -3.45 115.15 114.85 3hov h HIS 1141Ca -0.04 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.09 3hov h HIS 1141Cb 0.32 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.77 3hov h HIS 1141CO -0.05 0.00 -0.08 0.41 0.86 0.00 0.00 177.93 179.07 3hov n GLY 1142N -0.85 0.54 3.11 2.45 0.00 0.50 -4.94 105.19 106.01 3hov n GLY 1142Ca -0.02 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 3hov n GLY 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hov n ALA 1143N 0.38 4.68 0.08 4.61 0.00 -0.96 -4.86 120.51 124.45 3hov n ALA 1143Ca -0.04 -4.03 -0.09 0.00 0.00 0.00 0.00 53.44 49.29 3hov n ALA 1143Cb 0.25 -3.36 -0.05 0.00 0.00 0.00 0.00 19.45 16.29 3hov n ALA 1143CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hov h ALA 1144N 6.56 -0.82 -0.13 0.00 0.00 -1.92 -2.69 119.26 120.26 3hov h ALA 1144Ca 0.46 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.34 3hov h ALA 1144Cb 0.74 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 3hov h ALA 1144CO 1.61 -0.88 -0.10 0.77 0.00 0.00 0.00 179.25 180.65 3hov h SER 1145N -0.42 -0.32 -0.99 0.00 0.02 -1.99 -2.11 113.55 107.75 3hov h SER 1145Ca -0.01 0.07 0.21 0.00 -0.84 0.00 0.00 61.79 61.22 3hov h SER 1145Cb 0.40 0.16 -0.12 0.00 0.14 0.00 0.00 62.40 62.99 3hov h SER 1145CO -0.12 -0.14 0.58 0.15 -1.14 0.00 0.00 176.83 176.16 3hov h PHE 1146N -0.11 1.00 0.35 3.45 3.57 -1.98 0.76 116.94 123.97 3hov h PHE 1146Ca 0.08 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 3hov h PHE 1146Cb 0.23 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.69 3hov h PHE 1146CO -0.23 0.14 -0.17 1.25 -2.23 0.00 0.00 178.31 177.07 3hov h LEU 1147N 0.65 -0.40 -0.40 0.59 6.46 -1.08 -0.75 115.31 120.38 3hov h LEU 1147Ca 0.60 -0.08 0.06 0.00 -0.12 0.00 0.00 57.88 58.34 3hov h LEU 1147Cb 1.03 0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 41.02 3hov h LEU 1147CO -0.43 -0.16 0.10 0.50 -0.62 0.00 0.00 178.44 177.83 3hov h LYS 1148N -0.62 0.24 -0.58 1.25 3.11 -0.37 -0.86 116.57 118.73 3hov h LYS 1148Ca -0.05 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.76 3hov h LYS 1148Cb 0.45 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.60 3hov h LYS 1148CO 0.08 0.16 0.31 1.49 -2.81 0.00 0.00 179.45 178.68 3hov h GLU 1149N 0.24 0.82 0.00 1.90 4.81 0.49 -0.58 114.58 122.26 3hov h GLU 1149Ca 0.19 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 3hov h GLU 1149Cb 0.21 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3hov h GLU 1149CO -0.23 0.63 -0.19 -0.09 -0.73 0.00 0.00 179.01 178.40 3hov h ARG 1150N 0.79 0.00 0.00 1.92 9.65 -0.49 -0.35 114.38 125.90 3hov h ARG 1150Ca 0.20 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 3hov h ARG 1150Cb 0.06 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 3hov h ARG 1150CO -0.03 0.19 -1.09 1.28 2.80 0.00 0.00 179.97 183.12 3hov n LEU 1151N -4.01 0.61 0.00 3.80 4.32 -0.39 -4.28 117.00 117.06 3hov n LEU 1151Ca -0.02 0.10 0.00 0.00 -0.02 0.00 0.00 56.01 56.06 3hov n LEU 1151Cb 0.27 -0.09 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 3hov n LEU 1151CO 0.34 -0.03 0.00 0.23 -1.22 0.00 0.00 177.39 176.71 3hov n MET 1152N -2.19 0.00 -0.06 3.23 2.81 -0.27 -4.06 117.12 116.58 3hov n MET 1152Ca 0.01 0.00 0.22 0.00 -1.81 0.00 0.00 57.70 56.11 3hov n MET 1152Cb 0.48 -0.01 0.67 0.00 -0.71 0.00 0.00 33.22 33.66 3hov n MET 1152CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3hov h GLU 1153N 0.00 0.05 -0.90 0.03 3.07 -1.62 -1.00 114.58 114.20 3hov h GLU 1153Ca 0.00 -0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.56 3hov h GLU 1153Cb 0.00 -0.01 -0.18 0.00 -0.84 0.00 0.00 28.75 27.72 3hov h GLU 1153CO 0.00 0.03 0.38 0.00 -1.40 0.00 0.00 179.01 178.02 3hov n ALA 1154N -2.64 4.62 -1.97 3.43 0.00 -0.19 -4.87 120.51 118.89 3hov n ALA 1154Ca 0.12 -2.12 0.00 0.00 0.00 0.00 0.00 53.44 51.45 3hov n ALA 1154Cb 0.68 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3hov n ALA 1154CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hov n SER 1155N -0.45 0.00 0.00 0.00 2.88 -0.39 -4.86 113.62 110.80 3hov n SER 1155Ca 0.41 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 3hov n SER 1155Cb 1.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.79 3hov n SER 1155CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3hov n ASP 1156N 0.00 0.00 -1.89 -3.46 8.00 -1.15 -4.82 116.55 113.22 3hov n ASP 1156Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3hov n ASP 1156Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3hov n ASP 1156CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hov n ALA 1157N -3.00 -2.21 -2.60 2.24 0.00 -1.24 -4.78 120.51 108.92 3hov n ALA 1157Ca 0.00 0.39 -0.09 0.00 0.00 0.00 0.00 53.44 53.74 3hov n ALA 1157Cb 0.00 -1.25 -0.07 0.00 0.00 0.00 0.00 19.45 18.13 3hov n ALA 1157CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3hov s PHE 1158N -0.44 0.13 -0.34 0.00 5.36 -0.34 -4.67 117.98 117.67 3hov s PHE 1158Ca 0.00 -0.54 -0.02 0.00 -0.96 0.00 0.00 56.93 55.41 3hov s PHE 1158Cb 0.00 -0.05 0.07 0.00 -0.34 0.00 0.00 43.02 42.70 3hov s PHE 1158CO 0.00 -0.53 0.09 0.50 -1.46 0.00 0.00 175.22 173.81 3hov s ARG 1159N -3.70 2.25 0.23 10.12 3.00 -1.26 -1.90 118.95 127.68 3hov s ARG 1159Ca 0.04 -1.49 0.08 0.00 -1.00 0.00 0.00 55.73 53.36 3hov s ARG 1159Cb 0.04 -3.35 -0.04 0.00 0.00 0.00 0.00 34.95 31.60 3hov s ARG 1159CO -0.10 -0.80 0.07 0.14 0.00 0.00 0.00 175.30 174.61 3hov s VAL 1160N 1.21 3.92 -0.22 7.11 -7.23 -0.71 -4.94 120.40 119.53 3hov s VAL 1160Ca 0.01 -1.56 -0.06 0.00 -1.81 0.00 0.00 61.98 58.56 3hov s VAL 1160Cb -0.21 -3.06 -0.02 0.00 0.56 0.00 0.00 36.38 33.65 3hov s VAL 1160CO -0.02 -0.28 0.02 -1.00 -0.31 0.00 0.00 175.10 173.51 3hov s HIS 1161N -2.07 3.04 0.20 2.82 3.76 -1.26 -0.67 115.29 121.11 3hov s HIS 1161Ca 0.31 -0.55 0.10 0.00 -0.15 0.00 0.00 55.06 54.77 3hov s HIS 1161Cb -0.08 -2.14 -0.04 0.00 1.11 0.00 0.00 32.58 31.42 3hov s HIS 1161CO 0.21 -0.35 -0.11 0.96 -0.85 0.00 0.00 174.74 174.60 3hov s ILE 1162N 1.32 3.05 0.28 0.60 -4.36 -0.84 -4.20 121.20 117.05 3hov s ILE 1162Ca 0.04 -1.79 -0.20 0.00 -0.26 0.00 0.00 60.65 58.44 3hov s ILE 1162Cb -0.15 -2.52 -0.09 0.00 1.25 0.00 0.00 42.46 40.95 3hov s ILE 1162CO 0.01 -0.16 0.79 0.00 0.24 0.00 0.00 174.94 175.83 3hov n GLY 1164N 0.36 -0.13 0.27 0.00 0.00 -0.75 -3.82 105.19 101.12 3hov n GLY 1164Ca 0.01 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 3hov n GLY 1164CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hov n ILE 1165N -0.02 1.32 -4.04 -0.61 5.41 -1.26 -4.85 119.36 115.30 3hov n ILE 1165Ca 0.18 -0.23 -0.32 0.00 1.00 0.00 0.00 62.75 63.38 3hov n ILE 1165Cb 0.29 -1.90 -0.15 0.00 -0.71 0.00 0.00 39.64 37.17 3hov n ILE 1165CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hov n GLY 1167N 4.43 1.54 3.54 0.00 0.00 -1.25 -4.06 105.19 109.39 3hov n GLY 1167Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 3hov n GLY 1167CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hov s LEU 1168N 0.00 2.86 -0.01 0.99 1.43 -1.26 -0.17 118.68 122.52 3hov s LEU 1168Ca 0.00 -0.79 0.01 0.00 -1.03 0.00 0.00 54.13 52.32 3hov s LEU 1168Cb 0.00 -1.43 0.05 0.00 0.03 0.00 0.00 46.19 44.84 3hov s LEU 1168CO 0.00 0.05 0.80 0.23 0.23 0.00 0.00 176.35 177.66 3hov n MET 1169N -0.50 1.20 -0.27 1.70 2.81 -1.26 -1.87 117.12 118.92 3hov n MET 1169Ca -0.07 -0.20 -0.00 0.00 -1.81 0.00 0.00 57.70 55.61 3hov n MET 1169Cb 0.58 -1.31 0.06 0.00 -0.71 0.00 0.00 33.22 31.85 3hov n MET 1169CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3hov h THR 1170N 0.29 0.16 -0.23 2.03 2.02 -1.91 -3.45 112.91 111.81 3hov h THR 1170Ca 0.00 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.02 3hov h THR 1170Cb 0.34 0.16 0.02 0.00 -1.74 0.00 0.00 68.15 66.94 3hov h THR 1170CO 0.02 0.00 -0.10 0.52 0.37 0.00 0.00 175.52 176.33 3hov n VAL 1171N -5.49 0.38 -3.23 3.16 0.31 -1.26 -4.87 118.33 107.33 3hov n VAL 1171Ca 0.09 -0.10 -0.33 0.00 -0.01 0.00 0.00 64.34 63.99 3hov n VAL 1171Cb 0.39 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.28 3hov n VAL 1171CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3hov n ILE 1172N 0.06 3.58 -2.05 2.52 5.41 -0.14 -4.94 119.36 123.80 3hov n ILE 1172Ca 0.04 -5.52 -0.42 0.00 1.00 0.00 0.00 62.75 57.84 3hov n ILE 1172Cb 0.05 -2.05 -0.03 0.00 -0.71 0.00 0.00 39.64 36.90 3hov n ILE 1172CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hov s ALA 1173N -2.69 3.63 -0.74 -1.39 0.00 -1.25 -4.50 121.76 114.81 3hov s ALA 1173Ca 0.37 0.94 0.02 0.00 0.00 0.00 0.00 51.96 53.29 3hov s ALA 1173Cb 0.12 -3.71 0.35 0.00 0.00 0.00 0.00 23.12 19.88 3hov s ALA 1173CO 0.03 -1.27 1.40 1.63 0.00 0.00 0.00 175.76 177.55 3hov n LYS 1174N 6.61 3.95 -1.34 0.00 5.02 0.13 -4.98 118.16 127.55 3hov n LYS 1174Ca 0.16 -4.58 -0.11 0.00 -2.02 0.00 0.00 58.31 51.76 3hov n LYS 1174Cb 0.43 -2.32 -0.10 0.00 -0.02 0.00 0.00 35.03 33.01 3hov n LYS 1174CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hov n LEU 1175N -0.26 -0.69 0.00 -0.35 4.77 -1.26 -1.03 117.00 118.18 3hov n LEU 1175Ca 0.40 -1.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.03 3hov n LEU 1175Cb 0.37 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 3hov n LEU 1175CO 0.42 -2.08 0.00 -3.20 -1.33 0.00 0.00 177.39 171.20 3hov n ASN 1176N 9.70 0.00 -0.43 -1.43 2.85 -1.26 -4.82 115.26 119.87 3hov n ASN 1176Ca 0.35 0.00 0.05 0.00 -0.11 0.00 0.00 54.58 54.87 3hov n ASN 1176Cb 0.38 0.01 0.13 0.00 1.24 0.00 0.00 39.78 41.54 3hov n ASN 1176CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 3hov n HIS 1177N -1.34 0.37 -1.01 1.20 8.25 -0.20 -4.96 115.22 117.53 3hov n HIS 1177Ca 0.00 -0.65 -0.01 0.00 -0.26 0.00 0.00 57.72 56.81 3hov n HIS 1177Cb 0.00 -0.11 -0.00 0.00 1.12 0.00 0.00 29.99 31.00 3hov n HIS 1177CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3hov n ASN 1178N -0.25 -5.86 -4.77 0.41 2.85 -1.17 -4.96 115.26 101.50 3hov n ASN 1178Ca 0.11 0.02 -0.38 0.00 -0.11 0.00 0.00 54.58 54.22 3hov n ASN 1178Cb 0.50 -3.50 -0.06 0.00 1.24 0.00 0.00 39.78 37.96 3hov n ASN 1178CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 3hov s GLN 1179N -2.03 4.63 0.00 1.20 -0.21 -1.25 -4.93 119.66 117.06 3hov s GLN 1179Ca 0.00 1.29 0.00 0.00 0.02 0.00 0.00 55.36 56.67 3hov s GLN 1179Cb 0.00 -3.07 0.00 0.00 1.00 0.00 0.00 33.01 30.94 3hov s GLN 1179CO 0.00 0.44 0.00 1.19 -2.12 0.00 0.00 175.29 174.80 3hov n PHE 1180N 1.11 0.00 -1.53 0.91 3.01 -1.26 -0.70 117.46 119.01 3hov n PHE 1180Ca -0.02 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.46 3hov n PHE 1180Cb 0.49 0.01 -0.01 0.00 -0.01 0.00 0.00 39.48 39.96 3hov n PHE 1180CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 3hov n GLU 1181N -1.25 -3.67 -2.96 -1.08 2.13 -1.24 -3.04 120.64 109.53 3hov n GLU 1181Ca 0.00 2.86 -0.15 0.00 0.66 0.00 0.00 57.16 60.53 3hov n GLU 1181Cb 0.00 -3.69 0.00 0.00 0.27 0.00 0.00 31.44 28.02 3hov n GLU 1181CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hov n LYS 1183N 1.12 0.62 0.00 0.00 -0.00 -1.26 -1.04 118.16 117.60 3hov n LYS 1183Ca 0.15 0.23 0.00 0.00 -0.00 0.00 0.00 58.31 58.69 3hov n LYS 1183Cb 0.62 -1.60 0.00 0.00 -0.00 0.00 0.00 35.03 34.04 3hov n LYS 1183CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hov n GLY 1184N 1.74 3.12 0.00 2.58 0.00 -1.26 -4.43 105.19 106.94 3hov n GLY 1184Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3hov n GLY 1184CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hov n ASP 1186N -0.90 -4.77 -4.56 0.00 2.03 -0.45 -4.98 116.55 102.92 3hov n ASP 1186Ca 0.00 -1.09 -0.28 0.00 0.52 0.00 0.00 54.79 53.94 3hov n ASP 1186Cb 0.00 -2.94 -0.10 0.00 -0.72 0.00 0.00 41.12 37.36 3hov n ASP 1186CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 3hov s ASN 1187N -3.53 4.26 0.00 1.67 3.84 -1.23 -4.95 114.94 115.00 3hov s ASN 1187Ca 0.46 -0.50 0.00 0.00 0.21 0.00 0.00 52.86 53.03 3hov s ASN 1187Cb -0.19 -0.74 0.00 0.00 -0.55 0.00 0.00 41.25 39.77 3hov s ASN 1187CO 0.89 0.14 0.00 0.29 -2.79 0.00 0.00 177.10 175.63 3hov n LYS 1188N 0.40 0.00 -0.00 0.43 5.02 -1.26 -1.34 118.16 121.41 3hov n LYS 1188Ca -0.13 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.13 3hov n LYS 1188Cb 0.54 -0.09 -0.01 0.00 -0.02 0.00 0.00 35.03 35.44 3hov n LYS 1188CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3hov n ILE 1189N 0.00 0.60 -2.58 -0.18 5.41 -1.26 -4.46 119.36 116.88 3hov n ILE 1189Ca 0.00 0.10 -0.43 0.00 1.00 0.00 0.00 62.75 63.43 3hov n ILE 1189Cb 0.15 -1.60 -0.01 0.00 -0.71 0.00 0.00 39.64 37.47 3hov n ILE 1189CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3hov s ASP 1190N -5.58 6.77 -0.02 4.38 2.15 -1.26 -4.92 116.67 118.18 3hov s ASP 1190Ca -0.05 -2.24 0.00 0.00 0.43 0.00 0.00 52.55 50.70 3hov s ASP 1190Cb 0.02 -2.58 0.02 0.00 -0.30 0.00 0.00 42.92 40.08 3hov s ASP 1190CO 0.06 -1.24 0.00 -0.63 -0.17 0.00 0.00 175.17 173.20 3hov s ILE 1191N 4.37 0.12 0.50 4.11 1.01 -1.26 -1.80 121.20 128.24 3hov s ILE 1191Ca 0.52 0.09 0.04 0.00 0.00 0.00 0.00 60.65 61.30 3hov s ILE 1191Cb 0.03 -0.20 -0.00 0.00 0.01 0.00 0.00 42.46 42.30 3hov s ILE 1191CO 0.04 0.11 0.20 -0.31 0.00 0.00 0.00 174.94 174.99 3hov s TYR 1192N 0.85 1.93 -0.02 3.97 1.51 -0.88 -4.99 117.35 119.73 3hov s TYR 1192Ca -0.08 -0.83 0.01 0.00 -1.01 0.00 0.00 57.07 55.16 3hov s TYR 1192Cb -0.11 -1.81 0.02 0.00 -0.11 0.00 0.00 41.96 39.94 3hov s TYR 1192CO -0.02 -0.06 -0.01 1.14 -1.11 0.00 0.00 175.55 175.49 3hov s GLN 1193N -4.04 0.29 0.19 -0.62 -2.07 -1.26 -2.00 119.66 110.14 3hov s GLN 1193Ca 0.25 0.00 0.07 0.00 -1.82 0.00 0.00 55.36 53.86 3hov s GLN 1193Cb 0.01 -0.39 -0.05 0.00 -1.09 0.00 0.00 33.01 31.49 3hov s GLN 1193CO 0.15 -0.06 -0.14 0.96 -1.32 0.00 0.00 175.29 174.88 3hov s ILE 1194N 0.61 1.59 -0.31 3.63 -4.36 0.16 -4.98 121.20 117.54 3hov s ILE 1194Ca -0.06 -2.15 -0.05 0.00 -0.26 0.00 0.00 60.65 58.13 3hov s ILE 1194Cb -0.09 -1.97 0.03 0.00 1.25 0.00 0.00 42.46 41.68 3hov s ILE 1194CO -0.01 -0.62 0.06 -1.00 0.24 0.00 0.00 174.94 173.61 3hov s HIS 1195N -2.99 3.20 0.07 1.37 3.76 -1.26 -1.74 115.29 117.70 3hov s HIS 1195Ca 0.20 -1.38 0.01 0.00 -0.15 0.00 0.00 55.06 53.74 3hov s HIS 1195Cb -0.00 -2.22 -0.04 0.00 1.11 0.00 0.00 32.58 31.43 3hov s HIS 1195CO 0.05 -0.70 -0.05 0.96 -0.85 0.00 0.00 174.74 174.15 3hov s ILE 1196N 1.40 0.49 0.16 0.60 -4.36 -0.80 -4.90 121.20 113.79 3hov s ILE 1196Ca -0.01 -1.77 -0.31 0.00 -0.26 0.00 0.00 60.65 58.30 3hov s ILE 1196Cb -0.18 -1.46 -0.11 0.00 1.25 0.00 0.00 42.46 41.95 3hov s ILE 1196CO 0.01 -0.85 1.75 -2.16 0.24 0.00 0.00 174.94 173.93 3hov s PRO 1197N -3.55 4.14 0.42 0.37 0.04 -1.26 -1.20 135.00 133.96 3hov s PRO 1197Ca 0.07 2.56 0.23 0.00 0.04 0.00 0.00 61.00 63.91 3hov s PRO 1197Cb 0.04 -3.33 1.23 0.00 0.04 0.00 0.00 34.50 32.48 3hov s PRO 1197CO -0.06 -0.78 1.72 -0.92 0.04 0.00 0.00 177.00 177.01 3hov h TYR 1198N 7.66 0.57 -0.62 0.56 3.20 -1.86 1.28 116.97 127.76 3hov h TYR 1198Ca -0.44 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.51 3hov h TYR 1198Cb 1.21 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 39.28 3hov h TYR 1198CO 0.71 -0.03 0.41 0.00 -1.64 0.00 0.00 178.16 177.61 3hov h ALA 1199N 1.60 1.79 0.06 1.82 0.00 -1.88 0.15 119.26 122.80 3hov h ALA 1199Ca 0.67 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 55.31 3hov h ALA 1199Cb 1.90 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.54 3hov h ALA 1199CO -0.32 0.11 -1.08 0.00 0.00 0.00 0.00 179.25 177.96 3hov h ALA 1200N 1.66 0.23 -0.85 0.00 0.00 0.13 -0.70 119.26 119.73 3hov h ALA 1200Ca 0.27 -0.77 0.08 0.00 0.00 0.00 0.00 54.91 54.48 3hov h ALA 1200Cb 0.27 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 3hov h ALA 1200CO -0.08 0.85 0.51 -0.22 0.00 0.00 0.00 179.25 180.30 3hov h LYS 1201N 0.19 0.86 0.69 0.00 3.11 -0.10 -0.60 116.57 120.73 3hov h LYS 1201Ca -0.11 -0.05 -0.03 0.00 -2.81 0.00 0.00 60.65 57.64 3hov h LYS 1201Cb 1.75 -0.19 0.01 0.00 -1.00 0.00 0.00 32.23 32.79 3hov h LYS 1201CO 0.19 0.57 -0.33 1.25 -2.81 0.00 0.00 179.45 178.31 3hov h LEU 1202N 0.89 -0.79 -1.01 5.20 6.46 -0.93 -1.74 115.31 123.39 3hov h LEU 1202Ca 0.39 -0.00 0.35 0.00 -0.12 0.00 0.00 57.88 58.50 3hov h LEU 1202Cb 0.27 0.20 -0.16 0.00 -0.73 0.00 0.00 40.66 40.25 3hov h LEU 1202CO -0.21 -0.48 0.57 0.25 -0.62 0.00 0.00 178.44 177.95 3hov h LEU 1203N -1.06 0.47 0.01 2.25 5.85 -0.42 0.30 115.31 122.71 3hov h LEU 1203Ca -0.10 0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3hov h LEU 1203Cb 0.74 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.94 3hov h LEU 1203CO 0.16 -0.21 -0.00 -0.26 -0.34 0.00 0.00 178.44 177.79 3hov h PHE 1204N 0.24 -0.01 -0.77 1.25 0.05 -0.98 -1.55 116.94 115.18 3hov h PHE 1204Ca 0.76 -0.00 0.06 0.00 3.82 0.00 0.00 57.97 62.61 3hov h PHE 1204Cb 1.83 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 39.74 3hov h PHE 1204CO -0.01 0.61 0.51 1.96 -0.18 0.00 0.00 178.31 181.20 3hov h GLN 1205N -0.64 0.81 -0.32 1.51 4.20 -0.11 0.06 115.11 120.63 3hov h GLN 1205Ca -0.00 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 3hov h GLN 1205Cb 0.62 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 3hov h GLN 1205CO 0.00 0.54 -0.25 0.93 -0.67 0.00 0.00 178.83 179.38 3hov h GLU 1206N 0.84 0.73 0.00 1.46 5.08 -0.49 0.13 114.58 122.33 3hov h GLU 1206Ca 0.33 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3hov h GLU 1206Cb 0.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 3hov h GLU 1206CO -0.11 0.97 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.70 3hov h LEU 1207N 0.49 0.00 0.04 1.33 3.38 -0.26 -1.59 115.31 118.70 3hov h LEU 1207Ca 0.06 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 3hov h LEU 1207Cb 0.81 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.57 3hov h LEU 1207CO 0.06 0.10 -0.46 0.24 0.09 0.00 0.00 178.44 178.48 3hov h MET 1208N 0.00 0.23 -0.88 1.13 2.86 -0.63 0.71 114.93 118.36 3hov h MET 1208Ca -0.00 -0.31 0.25 0.00 -2.06 0.00 0.00 59.70 57.58 3hov h MET 1208Cb 0.25 0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 3hov h MET 1208CO 0.01 1.07 0.80 0.00 1.06 0.00 0.00 176.91 179.86 3hov h ALA 1209N 0.17 2.72 -0.82 6.32 0.00 -0.02 2.12 119.26 129.76 3hov h ALA 1209Ca -0.07 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.48 3hov h ALA 1209Cb 1.27 0.07 -0.19 0.00 0.00 0.00 0.00 17.79 18.93 3hov h ALA 1209CO 0.09 -1.25 0.41 -1.33 0.00 0.00 0.00 179.25 177.17 3hov n MET 1210N -3.76 3.13 -2.30 0.00 2.00 -0.88 -4.93 117.12 110.37 3hov n MET 1210Ca 0.19 -2.97 -0.21 0.00 0.00 0.00 0.00 57.70 54.71 3hov n MET 1210Cb 1.10 -2.18 -0.02 0.00 0.00 0.00 0.00 33.22 32.12 3hov n MET 1210CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3hov n ASN 1211N -0.49 -5.80 -4.27 7.83 2.85 0.72 -5.00 115.26 111.10 3hov n ASN 1211Ca 0.47 0.06 -0.33 0.00 -0.11 0.00 0.00 54.58 54.67 3hov n ASN 1211Cb 1.48 -4.86 -0.15 0.00 1.24 0.00 0.00 39.78 37.48 3hov n ASN 1211CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3hov s ILE 1212N -2.99 2.60 -0.44 -1.44 1.01 0.23 -4.99 121.20 115.18 3hov s ILE 1212Ca 0.00 -0.80 -0.22 0.00 0.00 0.00 0.00 60.65 59.62 3hov s ILE 1212Cb 0.00 -2.08 0.02 0.00 0.01 0.00 0.00 42.46 40.42 3hov s ILE 1212CO 0.00 0.53 0.72 0.42 0.00 0.00 0.00 174.94 176.61 3hov s THR 1213N 0.63 4.73 -1.09 2.92 -4.23 -1.26 -3.13 115.64 114.21 3hov s THR 1213Ca -0.09 0.30 -0.06 0.00 -1.18 0.00 0.00 61.69 60.67 3hov s THR 1213Cb -0.16 -4.27 0.30 0.00 1.34 0.00 0.00 72.50 69.71 3hov s THR 1213CO 0.03 -0.66 1.37 -0.81 -0.54 0.00 0.00 174.62 174.00 3hov n PRO 1214N 6.52 4.18 -2.08 3.99 -0.04 -1.26 -5.02 135.00 141.29 3hov n PRO 1214Ca 0.01 -4.53 -0.42 0.00 -0.04 0.00 0.00 63.50 58.52 3hov n PRO 1214Cb 0.48 -2.52 -0.03 0.00 -0.04 0.00 0.00 33.50 31.39 3hov n PRO 1214CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3hov s ARG 1215N -2.32 4.27 -0.24 0.54 0.52 -1.26 -4.84 118.95 115.61 3hov s ARG 1215Ca 0.31 2.18 -0.08 0.00 -0.52 0.00 0.00 55.73 57.61 3hov s ARG 1215Cb 0.00 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 32.11 3hov s ARG 1215CO 0.05 -0.55 0.10 -0.51 0.02 0.00 0.00 175.30 174.41 3hov s LEU 1216N 1.54 3.70 -0.09 2.53 1.43 0.76 -4.83 118.68 123.72 3hov s LEU 1216Ca 0.67 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.74 3hov s LEU 1216Cb -0.38 -1.99 -0.00 0.00 0.03 0.00 0.00 46.19 43.84 3hov s LEU 1216CO 0.30 0.01 -0.24 -0.31 0.23 0.00 0.00 176.35 176.34 3hov s TYR 1217N 1.37 2.54 -1.32 0.29 2.02 -1.26 -4.20 117.35 116.80 3hov s TYR 1217Ca 0.06 -0.95 0.29 0.00 -0.37 0.00 0.00 57.07 56.09 3hov s TYR 1217Cb -0.15 -1.69 1.38 0.00 -0.40 0.00 0.00 41.96 41.11 3hov s TYR 1217CO 0.05 -0.36 1.97 0.25 -1.57 0.00 0.00 175.55 175.89 3hov n THR 1218N 3.38 0.06 -4.14 -0.71 -2.24 -1.26 -4.81 114.28 104.56 3hov n THR 1218Ca -0.19 0.02 -0.11 0.00 -2.27 0.00 0.00 64.05 61.50 3hov n THR 1218Cb 0.53 -0.54 -0.10 0.00 -2.10 0.00 0.00 70.33 68.11 3hov n THR 1218CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3hov s ASP 1219N -2.68 1.03 0.22 3.42 1.47 -1.26 -5.16 116.67 113.70 3hov s ASP 1219Ca 0.24 -0.90 0.05 0.00 1.18 0.00 0.00 52.55 53.12 3hov s ASP 1219Cb 0.19 0.09 -0.03 0.00 -0.34 0.00 0.00 42.92 42.83 3hov s ASP 1219CO 0.46 -0.41 0.29 0.00 0.68 0.00 0.00 175.17 176.19 3hov s ARG 1220N -3.31 3.29 0.10 2.11 1.70 -1.26 -5.02 118.95 116.55 3hov s ARG 1220Ca 0.06 -0.80 0.00 0.00 -0.47 0.00 0.00 55.73 54.52 3hov s ARG 1220Cb 0.02 -2.81 0.00 0.00 -0.57 0.00 0.00 34.95 31.58 3hov s ARG 1220CO -0.04 0.45 0.00 -1.13 -1.08 0.00 0.00 175.30 173.50 3hov n SER 1221N -1.12 0.62 0.00 -2.89 3.41 -1.26 -4.79 113.62 107.59 3hov n SER 1221Ca -0.08 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 3hov n SER 1221Cb 0.56 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 3hov n SER 1221CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3hov n ARG 1222N -3.34 0.00 0.00 4.33 0.63 -1.26 -4.82 116.66 112.20 3hov n ARG 1222Ca 0.00 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 3hov n ARG 1222Cb 0.11 -1.52 0.00 0.00 0.45 0.00 0.00 32.46 31.50 3hov n ARG 1222CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 3hov n ASP 1223N -0.73 0.00 0.00 6.15 2.03 -1.26 -5.37 116.55 117.37 3hov n ASP 1223Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3hov n ASP 1223Cb 0.02 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 3hov n ASP 1223CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61