#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ghf h ALA -7 N 0.00 1.31 -2.35 -5.12 0.00 -2.08 -3.43 119.26 107.59 2ghf h ALA -7 Ca 0.00 -0.19 -0.50 0.00 0.00 0.00 0.00 54.91 54.22 2ghf h ALA -7 Cb 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.61 2ghf h ALA -7 CO 0.00 0.48 -0.08 -1.01 0.00 0.00 0.00 179.25 178.64 2ghf s HIS -6 N -5.12 3.50 0.05 0.00 4.02 -1.26 -4.99 115.29 111.49 2ghf s HIS -6 Ca -0.09 0.63 0.01 0.00 1.02 0.00 0.00 55.06 56.63 2ghf s HIS -6 Cb 0.16 -2.12 -0.26 0.00 -1.02 0.00 0.00 32.58 29.34 2ghf s HIS -6 CO 0.78 0.05 1.02 1.25 1.02 0.00 0.00 174.74 178.86 2ghf h HIS -5 N 1.13 0.31 -2.99 1.40 -0.00 -2.10 -3.46 115.15 109.44 2ghf h HIS -5 Ca -0.48 -0.22 -0.63 0.00 -0.00 0.00 0.00 60.37 59.04 2ghf h HIS -5 Cb 1.20 -0.01 -0.05 0.00 -0.00 0.00 0.00 27.41 28.54 2ghf h HIS -5 CO 0.56 1.22 -0.53 -1.01 -0.00 0.00 0.00 177.93 178.17 2ghf s HIS -4 N -2.65 3.42 0.25 5.26 4.02 -1.26 -5.10 115.29 119.23 2ghf s HIS -4 Ca -0.05 0.20 0.00 0.00 1.02 0.00 0.00 55.06 56.23 2ghf s HIS -4 Cb 0.08 -1.72 -0.04 0.00 -1.02 0.00 0.00 32.58 29.88 2ghf s HIS -4 CO 0.85 0.57 0.44 -1.01 1.02 0.00 0.00 174.74 176.61 2ghf s HIS -3 N -1.47 3.48 -0.26 1.40 4.02 -1.26 -5.05 115.29 116.15 2ghf s HIS -3 Ca 0.33 0.32 -0.18 0.00 1.02 0.00 0.00 55.06 56.56 2ghf s HIS -3 Cb -0.13 -1.85 -0.03 0.00 -1.02 0.00 0.00 32.58 29.56 2ghf s HIS -3 CO 0.26 0.31 0.50 -1.01 1.02 0.00 0.00 174.74 175.82 2ghf s HIS -2 N -2.01 3.27 -0.16 1.40 0.09 -1.26 -4.40 115.29 112.22 2ghf s HIS -2 Ca 0.39 0.62 -0.01 0.00 -0.00 0.00 0.00 55.06 56.06 2ghf s HIS -2 Cb -0.10 -2.70 0.00 0.00 -0.00 0.00 0.00 32.58 29.78 2ghf s HIS -2 CO 0.31 -0.26 0.03 0.72 -0.00 0.00 0.00 174.74 175.54 2ghf n HIS -1 N 5.45 -1.93 -1.72 1.40 -0.00 -1.26 -4.97 115.22 112.19 2ghf n HIS -1 Ca -0.05 0.85 -0.41 0.00 -0.00 0.00 0.00 57.72 58.11 2ghf n HIS -1 Cb 0.50 -2.73 0.00 0.00 -0.00 0.00 0.00 29.99 27.76 2ghf n HIS -1 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 2ghf n ASN 60 N 0.27 2.88 -4.77 0.41 3.02 -1.26 -4.99 115.26 110.82 2ghf n ASN 60 Ca 0.01 1.16 -0.29 0.00 -0.03 0.00 0.00 54.58 55.42 2ghf n ASN 60 Cb 0.02 -1.52 0.12 0.00 -0.61 0.00 0.00 39.78 37.79 2ghf n ASN 60 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ghf s GLN 61 N -2.10 1.53 -0.01 3.52 -2.07 -1.26 -4.73 119.66 114.53 2ghf s GLN 61 Ca 0.58 0.57 -0.00 0.00 -1.82 0.00 0.00 55.36 54.69 2ghf s GLN 61 Cb -0.52 -1.86 0.00 0.00 -1.09 0.00 0.00 33.01 29.54 2ghf s GLN 61 CO 0.60 -1.99 0.00 1.04 -1.32 0.00 0.00 175.29 173.62 2ghf n GLN 62 N -3.67 -0.13 -3.01 9.60 6.02 -1.26 -5.10 117.38 119.83 2ghf n GLN 62 Ca 0.07 0.58 -0.18 0.00 -0.01 0.00 0.00 57.00 57.46 2ghf n GLN 62 Cb 0.57 -1.15 0.03 0.00 1.02 0.00 0.00 30.24 30.71 2ghf n GLN 62 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2ghf s ASN 63 N -0.05 5.44 0.02 1.08 2.20 -1.26 -4.79 114.94 117.57 2ghf s ASN 63 Ca -0.00 -0.57 -0.14 0.00 -0.94 0.00 0.00 52.86 51.22 2ghf s ASN 63 Cb 0.00 -0.31 -0.34 0.00 -2.00 0.00 0.00 41.25 38.60 2ghf s ASN 63 CO 0.03 -0.99 0.95 0.50 -2.94 0.00 0.00 177.10 174.64 2ghf h LYS 64 N 0.45 0.49 -2.90 3.55 3.64 -1.93 -3.49 116.57 116.38 2ghf h LYS 64 Ca -0.36 -0.83 0.00 0.00 -1.27 0.00 0.00 60.65 58.19 2ghf h LYS 64 Cb 1.28 0.31 0.00 0.00 -0.41 0.00 0.00 32.23 33.41 2ghf h LYS 64 CO 0.44 1.39 0.00 1.17 -2.27 0.00 0.00 179.45 180.18 2ghf n LYS 65 N -3.67 0.00 -0.26 1.90 3.00 -1.26 -4.95 118.16 112.92 2ghf n LYS 65 Ca -0.18 0.48 -0.10 0.00 -0.00 0.00 0.00 58.31 58.51 2ghf n LYS 65 Cb 1.09 -0.97 -0.02 0.00 0.00 0.00 0.00 35.03 35.14 2ghf n LYS 65 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 2ghf n VAL 66 N 0.01 0.00 -0.02 3.15 3.14 -1.26 -4.94 118.33 118.41 2ghf n VAL 66 Ca 0.00 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.37 2ghf n VAL 66 Cb 0.00 -0.08 -0.00 0.00 -1.06 0.00 0.00 33.84 32.70 2ghf n VAL 66 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2ghf n GLU 67 N 0.64 0.10 -1.17 1.45 1.02 -1.26 -4.91 120.64 116.50 2ghf n GLU 67 Ca 0.05 0.18 -0.04 0.00 -0.02 0.00 0.00 57.16 57.32 2ghf n GLU 67 Cb -0.01 -0.81 -0.04 0.00 -0.02 0.00 0.00 31.44 30.56 2ghf n GLU 67 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ghf n GLY 68 N 1.61 0.66 0.00 0.62 0.00 -1.26 -4.99 105.19 101.83 2ghf n GLY 68 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2ghf n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ghf n GLY 69 N 0.09 5.25 3.23 -0.02 0.00 -1.26 -4.66 105.19 107.82 2ghf n GLY 69 Ca -0.19 -1.32 -0.37 0.00 0.00 0.00 0.00 46.02 44.14 2ghf n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ghf s TYR 70 N -0.35 3.28 -0.29 1.61 2.02 0.86 -4.82 117.35 119.66 2ghf s TYR 70 Ca 0.00 -1.65 -0.18 0.00 -0.37 0.00 0.00 57.07 54.87 2ghf s TYR 70 Cb 0.00 -2.31 -0.02 0.00 -0.40 0.00 0.00 41.96 39.23 2ghf s TYR 70 CO 0.00 -0.78 0.52 -2.00 -1.57 0.00 0.00 175.55 171.73 2ghf s GLU 71 N 1.33 3.93 0.68 -0.62 2.12 -1.26 -1.68 118.70 123.21 2ghf s GLU 71 Ca -0.02 0.18 -0.17 0.00 0.36 0.00 0.00 54.97 55.32 2ghf s GLU 71 Cb -0.20 -3.70 0.00 0.00 0.26 0.00 0.00 34.13 30.49 2ghf s GLU 71 CO 0.01 -0.45 1.17 0.00 -0.54 0.00 0.00 175.26 175.45 2ghf h LYS 73 N 0.13 0.09 -0.37 0.00 1.63 -1.09 -2.76 116.57 114.21 2ghf h LYS 73 Ca -0.49 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.26 2ghf h LYS 73 Cb 1.34 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.97 2ghf h LYS 73 CO 0.50 0.58 0.00 0.66 -3.45 0.00 0.00 179.45 177.75 2ghf n TYR 74 N -3.93 0.47 -3.87 1.91 4.01 -1.26 -4.30 117.16 110.18 2ghf n TYR 74 Ca -0.02 -0.23 -0.04 0.00 -0.16 0.00 0.00 57.90 57.45 2ghf n TYR 74 Cb 0.54 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.58 2ghf n TYR 74 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ghf n THR 76 N -0.68 0.00 -2.93 0.00 -1.04 -1.26 -4.21 114.28 104.16 2ghf n THR 76 Ca -0.04 -0.08 -0.40 0.00 -2.04 0.00 0.00 64.05 61.49 2ghf n THR 76 Cb 0.59 0.37 -0.04 0.00 -1.82 0.00 0.00 70.33 69.43 2ghf n THR 76 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2ghf s PHE 77 N -2.69 3.64 0.00 -1.42 0.08 -1.26 -4.24 117.98 112.10 2ghf s PHE 77 Ca 0.19 1.44 0.06 0.00 0.12 0.00 0.00 56.93 58.74 2ghf s PHE 77 Cb 0.19 -2.90 -0.02 0.00 -0.57 0.00 0.00 43.02 39.72 2ghf s PHE 77 CO 0.59 0.11 -0.18 -1.14 -0.10 0.00 0.00 175.22 174.50 2ghf s GLN 78 N 0.62 1.41 -0.04 0.44 0.74 -1.26 -2.72 119.66 118.86 2ghf s GLN 78 Ca 0.42 -0.72 -0.01 0.00 0.05 0.00 0.00 55.36 55.10 2ghf s GLN 78 Cb -0.19 -1.40 0.03 0.00 1.10 0.00 0.00 33.01 32.54 2ghf s GLN 78 CO 0.22 0.38 0.08 -0.08 -0.55 0.00 0.00 175.29 175.34 2ghf s THR 79 N -0.54 -0.05 -1.60 -0.34 -1.32 -0.68 -4.90 115.64 106.22 2ghf s THR 79 Ca 0.07 0.20 0.23 0.00 -1.21 0.00 0.00 61.69 60.97 2ghf s THR 79 Cb -0.07 -0.15 0.47 0.00 -1.51 0.00 0.00 72.50 71.24 2ghf s THR 79 CO -0.00 0.08 1.74 -0.81 -2.21 0.00 0.00 174.62 173.42 2ghf n PRO 80 N 4.18 0.44 -3.29 7.08 -0.04 -1.26 -0.10 135.00 142.01 2ghf n PRO 80 Ca -0.27 0.05 -0.41 0.00 -0.04 0.00 0.00 63.50 62.83 2ghf n PRO 80 Cb 0.51 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.39 2ghf n PRO 80 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2ghf s ASP 81 N -2.40 6.29 0.23 3.54 1.01 -1.26 -4.77 116.67 119.32 2ghf s ASP 81 Ca 0.25 0.05 -0.08 0.00 0.71 0.00 0.00 52.55 53.49 2ghf s ASP 81 Cb 0.15 -2.25 0.22 0.00 1.01 0.00 0.00 42.92 42.06 2ghf s ASP 81 CO 0.32 -0.38 1.90 0.25 0.21 0.00 0.00 175.17 177.47 2ghf h LEU 82 N 8.91 1.00 -0.23 1.23 7.12 -1.98 0.30 115.31 131.66 2ghf h LEU 82 Ca -0.29 -0.02 0.05 0.00 0.13 0.00 0.00 57.88 57.75 2ghf h LEU 82 Cb 1.14 -0.25 -0.06 0.00 -0.53 0.00 0.00 40.66 40.96 2ghf h LEU 82 CO 0.73 0.72 -0.13 -1.13 -0.13 0.00 0.00 178.44 178.50 2ghf h ASN 83 N 1.18 -0.43 0.27 1.25 -0.00 -1.97 0.29 115.58 116.17 2ghf h ASN 83 Ca 0.33 0.10 -0.13 0.00 -0.00 0.00 0.00 56.30 56.59 2ghf h ASN 83 Cb -0.11 0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 38.43 2ghf h ASN 83 CO -0.08 -0.17 -0.53 0.24 -0.00 0.00 0.00 177.43 176.89 2ghf h MET 84 N -0.11 0.29 0.42 6.67 2.86 -1.80 -0.01 114.93 123.25 2ghf h MET 84 Ca 0.13 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2ghf h MET 84 Cb 0.30 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2ghf h MET 84 CO -0.30 0.75 -0.20 0.35 1.06 0.00 0.00 176.91 178.56 2ghf h PHE 85 N 0.22 -0.52 0.00 -0.22 3.57 0.55 0.45 116.94 120.99 2ghf h PHE 85 Ca 0.01 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 2ghf h PHE 85 Cb 1.01 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 2ghf h PHE 85 CO 0.02 -0.26 -0.31 0.00 -2.23 0.00 0.00 178.31 175.54 2ghf h THR 86 N -0.70 0.87 0.47 4.41 1.03 -0.37 0.29 112.91 118.91 2ghf h THR 86 Ca -0.06 -1.23 -0.02 0.00 -0.01 0.00 0.00 66.41 65.09 2ghf h THR 86 Cb 0.50 1.74 0.00 0.00 -1.07 0.00 0.00 68.15 69.33 2ghf h THR 86 CO 0.10 0.30 -0.22 0.15 -0.01 0.00 0.00 175.52 175.83 2ghf h PHE 87 N 0.00 -0.58 -0.36 0.00 3.57 -0.81 0.26 116.94 119.02 2ghf h PHE 87 Ca -0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.49 2ghf h PHE 87 Cb 0.71 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 2ghf h PHE 87 CO 0.00 -0.26 0.24 1.25 -2.23 0.00 0.00 178.31 177.31 2ghf h HIS 88 N -0.92 0.42 0.08 0.41 2.76 0.34 0.22 115.15 118.47 2ghf h HIS 88 Ca -0.06 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.11 2ghf h HIS 88 Cb 0.58 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.40 2ghf h HIS 88 CO 0.01 0.26 -0.04 0.28 -1.30 0.00 0.00 177.93 177.14 2ghf h VAL 89 N 0.45 1.14 0.00 5.26 2.07 -0.41 0.32 116.25 125.09 2ghf h VAL 89 Ca 0.13 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 2ghf h VAL 89 Cb -0.01 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2ghf h VAL 89 CO -0.03 0.21 -0.16 -0.78 0.02 0.00 0.00 177.57 176.83 2ghf h ASP 90 N -0.52 0.00 0.09 0.57 3.58 -0.05 0.36 116.42 120.45 2ghf h ASP 90 Ca -0.01 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.19 2ghf h ASP 90 Cb 0.44 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 2ghf h ASP 90 CO 0.02 0.16 -1.27 -1.28 -2.88 0.00 0.00 179.24 173.99 2ghf h SER 91 N 0.00 0.29 0.00 2.28 0.87 -0.54 -3.34 113.55 113.12 2ghf h SER 91 Ca -0.00 -0.82 -0.29 0.00 -1.23 0.00 0.00 61.79 59.45 2ghf h SER 91 Cb 0.29 -0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.10 2ghf h SER 91 CO 0.02 1.55 -2.23 -0.62 -0.53 0.00 0.00 176.83 175.02 2ghf n GLU 92 N -4.05 0.90 -2.98 2.24 -0.58 0.11 -4.62 120.64 111.66 2ghf n GLU 92 Ca -0.25 -0.04 -0.18 0.00 -0.42 0.00 0.00 57.16 56.28 2ghf n GLU 92 Cb 0.83 -1.48 -0.02 0.00 -0.57 0.00 0.00 31.44 30.21 2ghf n GLU 92 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2ghf n HIS 93 N -2.62 1.29 -0.20 -0.32 8.25 0.12 -4.94 115.22 116.80 2ghf n HIS 93 Ca -0.26 -3.57 -0.05 0.00 -0.26 0.00 0.00 57.72 53.58 2ghf n HIS 93 Cb 1.02 -0.40 0.11 0.00 1.12 0.00 0.00 29.99 31.85 2ghf n HIS 93 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2ghf h PRO 94 N 2.97 1.00 -4.82 -0.41 0.13 -1.56 -3.42 132.00 125.89 2ghf h PRO 94 Ca 0.07 -0.23 -0.40 0.00 -0.87 0.00 0.00 66.00 64.58 2ghf h PRO 94 Cb 0.93 -0.14 -0.28 0.00 0.13 0.00 0.00 31.00 31.65 2ghf h PRO 94 CO 0.58 0.89 -0.78 -0.80 -0.23 0.00 0.00 178.00 177.66 2ghf s ASN 95 N -6.52 1.15 0.14 1.44 -0.87 -1.26 -4.96 114.94 104.07 2ghf s ASN 95 Ca -0.11 -0.22 -0.18 0.00 -1.57 0.00 0.00 52.86 50.78 2ghf s ASN 95 Cb 0.15 -0.11 0.04 0.00 -0.02 0.00 0.00 41.25 41.31 2ghf s ASN 95 CO 0.83 0.09 0.47 0.54 -2.57 0.00 0.00 177.10 176.46 2ghf s VAL 96 N -0.36 0.05 0.36 1.60 0.11 -1.26 -5.15 120.40 115.76 2ghf s VAL 96 Ca 0.03 -0.44 -0.08 0.00 -2.93 0.00 0.00 61.98 58.55 2ghf s VAL 96 Cb -0.04 -1.17 -0.06 0.00 -1.53 0.00 0.00 36.38 33.57 2ghf s VAL 96 CO -0.00 -0.21 0.69 0.68 -3.33 0.00 0.00 175.10 172.93 2ghf s VAL 97 N -3.80 4.87 0.26 2.04 -7.23 -1.26 -4.80 120.40 110.48 2ghf s VAL 97 Ca 0.03 0.42 -0.30 0.00 -1.81 0.00 0.00 61.98 60.32 2ghf s VAL 97 Cb 0.01 -3.73 -0.10 0.00 0.56 0.00 0.00 36.38 33.12 2ghf s VAL 97 CO -0.11 -0.45 1.37 -0.22 -0.31 0.00 0.00 175.10 175.38 2ghf s LEU 98 N -3.74 4.40 0.08 1.32 2.96 -1.26 -4.97 118.68 117.48 2ghf s LEU 98 Ca 0.49 2.62 -0.26 0.00 -0.22 0.00 0.00 54.13 56.76 2ghf s LEU 98 Cb -0.10 -3.63 0.09 0.00 0.50 0.00 0.00 46.19 43.05 2ghf s LEU 98 CO 0.31 -0.61 1.16 0.54 -1.32 0.00 0.00 176.35 176.42 2ghf s ASN 99 N 0.09 -0.01 -0.22 3.68 6.03 -1.26 -5.09 114.94 118.16 2ghf s ASN 99 Ca 0.55 -0.42 -0.16 0.00 -1.03 0.00 0.00 52.86 51.81 2ghf s ASN 99 Cb -0.40 0.32 -0.04 0.00 -3.03 0.00 0.00 41.25 38.11 2ghf s ASN 99 CO 0.45 -0.64 0.41 -0.44 -2.03 0.00 0.00 177.10 174.86 2ghf s SER 100 N -3.49 6.42 0.27 3.54 0.01 -1.26 -4.60 113.70 114.58 2ghf s SER 100 Ca 0.23 0.50 -0.10 0.00 1.31 0.00 0.00 55.95 57.88 2ghf s SER 100 Cb -0.01 -2.24 -0.00 0.00 0.21 0.00 0.00 66.02 63.98 2ghf s SER 100 CO 0.02 -0.12 0.47 -0.44 0.41 0.00 0.00 173.24 173.58 2ghf s SER 101 N 1.18 0.09 0.00 2.44 0.01 -1.26 -5.04 113.70 111.13 2ghf s SER 101 Ca 0.19 -1.06 0.08 0.00 1.31 0.00 0.00 55.95 56.46 2ghf s SER 101 Cb -0.15 0.60 -0.03 0.00 0.21 0.00 0.00 66.02 66.65 2ghf s SER 101 CO 0.08 -1.17 -0.23 -0.31 0.41 0.00 0.00 173.24 172.02 2ghf s TYR 102 N -3.79 2.43 -0.01 2.43 1.51 -1.26 -0.42 117.35 118.23 2ghf s TYR 102 Ca 0.25 -0.36 0.03 0.00 -1.01 0.00 0.00 57.07 55.98 2ghf s TYR 102 Cb -0.00 -1.48 -0.01 0.00 -0.11 0.00 0.00 41.96 40.36 2ghf s TYR 102 CO 0.11 0.09 -0.11 0.54 -1.11 0.00 0.00 175.55 175.08 2ghf s VAL 103 N -0.74 0.85 -0.64 0.71 0.11 0.19 -2.28 120.40 118.60 2ghf s VAL 103 Ca 0.12 -0.45 -0.26 0.00 -2.93 0.00 0.00 61.98 58.46 2ghf s VAL 103 Cb -0.10 -0.72 0.04 0.00 -1.53 0.00 0.00 36.38 34.07 2ghf s VAL 103 CO 0.01 0.24 1.11 0.00 -3.33 0.00 0.00 175.10 173.14 2ghf h VAL 105 N 6.05 0.84 -0.58 0.00 2.07 -1.76 1.14 116.25 124.01 2ghf h VAL 105 Ca -0.27 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.13 2ghf h VAL 105 Cb 1.06 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2ghf h VAL 105 CO 1.19 0.08 0.38 -0.33 0.02 0.00 0.00 177.57 178.91 2ghf h GLU 106 N 0.42 0.68 0.00 1.57 4.39 -1.89 -2.34 114.58 117.41 2ghf h GLU 106 Ca 0.33 -0.04 -0.15 0.00 0.34 0.00 0.00 59.36 59.84 2ghf h GLU 106 Cb 0.71 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 2ghf h GLU 106 CO -0.10 0.45 -1.95 0.00 -1.16 0.00 0.00 179.01 176.25 2ghf n ASN 108 N -2.36 -7.47 -3.73 0.00 2.85 0.38 -5.04 115.26 99.89 2ghf n ASN 108 Ca -0.15 -0.13 -0.17 0.00 -0.11 0.00 0.00 54.58 54.02 2ghf n ASN 108 Cb 0.75 -4.88 -0.17 0.00 1.24 0.00 0.00 39.78 36.72 2ghf n ASN 108 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 2ghf s PHE 109 N -2.95 0.08 -0.08 1.20 -0.71 -1.02 -4.94 117.98 109.55 2ghf s PHE 109 Ca 0.02 0.16 -0.14 0.00 -1.04 0.00 0.00 56.93 55.94 2ghf s PHE 109 Cb -0.01 -0.36 -0.05 0.00 -1.21 0.00 0.00 43.02 41.40 2ghf s PHE 109 CO 0.77 -0.14 0.36 -0.51 -1.34 0.00 0.00 175.22 174.36 2ghf s LEU 110 N 1.53 4.37 0.18 -1.99 1.43 -1.26 -1.52 118.68 121.40 2ghf s LEU 110 Ca -0.03 0.76 0.08 0.00 -1.03 0.00 0.00 54.13 53.91 2ghf s LEU 110 Cb -0.13 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 2ghf s LEU 110 CO -0.03 0.22 -0.18 0.28 0.23 0.00 0.00 176.35 176.87 2ghf s THR 111 N -0.35 1.82 -1.23 5.49 -1.32 -0.97 -0.69 115.64 118.41 2ghf s THR 111 Ca 0.21 -1.99 0.29 0.00 -1.21 0.00 0.00 61.69 59.00 2ghf s THR 111 Cb -0.15 -1.89 0.39 0.00 -1.51 0.00 0.00 72.50 69.33 2ghf s THR 111 CO 0.09 -0.37 1.98 1.17 -2.21 0.00 0.00 174.62 175.28 2ghf n LYS 112 N 0.13 0.22 -4.09 7.08 4.81 -1.04 -4.31 118.16 120.96 2ghf n LYS 112 Ca -0.12 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.09 2ghf n LYS 112 Cb 0.58 -1.50 -0.17 0.00 0.02 0.00 0.00 35.03 33.96 2ghf n LYS 112 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2ghf s ARG 113 N -2.77 1.22 0.59 1.64 1.70 -1.26 -5.01 118.95 115.06 2ghf s ARG 113 Ca 0.21 -0.18 0.30 0.00 -0.47 0.00 0.00 55.73 55.59 2ghf s ARG 113 Cb 0.19 -1.25 1.82 0.00 -0.57 0.00 0.00 34.95 35.14 2ghf s ARG 113 CO 0.49 -0.17 2.24 0.10 -1.08 0.00 0.00 175.30 176.88 2ghf h TYR 114 N 7.71 0.00 0.00 5.89 -0.00 -1.93 -2.19 116.97 126.45 2ghf h TYR 114 Ca -0.30 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.33 2ghf h TYR 114 Cb 1.15 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.86 2ghf h TYR 114 CO 0.48 0.00 -0.48 0.38 -0.00 0.00 0.00 178.16 178.54 2ghf h ASP 115 N 0.00 0.00 -0.07 0.10 2.03 -1.98 -2.90 116.42 113.60 2ghf h ASP 115 Ca 0.01 0.00 0.02 0.00 -0.73 0.00 0.00 57.03 56.33 2ghf h ASP 115 Cb 0.08 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.57 2ghf h ASP 115 CO -0.00 0.48 0.08 0.00 -1.03 0.00 0.00 179.24 178.77 2ghf h ALA 116 N 1.52 1.66 0.03 4.15 0.00 -1.81 0.19 119.26 125.00 2ghf h ALA 116 Ca -0.00 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 2ghf h ALA 116 Cb 1.01 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2ghf h ALA 116 CO 0.06 -0.12 -1.26 -0.07 0.00 0.00 0.00 179.25 177.86 2ghf h LEU 117 N 0.00 0.08 -0.00 0.00 -0.00 -1.67 -2.54 115.31 111.18 2ghf h LEU 117 Ca 0.03 -0.11 -0.15 0.00 -0.00 0.00 0.00 57.88 57.66 2ghf h LEU 117 Cb 0.19 -0.03 0.01 0.00 -0.00 0.00 0.00 40.66 40.84 2ghf h LEU 117 CO -0.00 1.09 -0.57 0.28 -0.00 0.00 0.00 178.44 179.23 2ghf h SER 118 N 0.01 0.51 1.67 -0.43 0.02 -1.11 -3.10 113.55 111.12 2ghf h SER 118 Ca -0.12 -0.76 0.00 0.00 -0.84 0.00 0.00 61.79 60.07 2ghf h SER 118 Cb 1.88 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 64.26 2ghf h SER 118 CO 0.13 1.20 0.00 -0.33 -1.14 0.00 0.00 176.83 176.69 2ghf h GLU 119 N -0.14 0.00 -0.21 3.45 5.08 -1.18 -3.37 114.58 118.21 2ghf h GLU 119 Ca -0.07 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 2ghf h GLU 119 Cb 1.29 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.47 2ghf h GLU 119 CO 0.11 0.00 -0.48 1.25 -1.00 0.00 0.00 179.01 178.89 2ghf h HIS 120 N 0.00 -1.42 0.00 4.33 2.76 -1.37 0.16 115.15 119.61 2ghf h HIS 120 Ca 0.00 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2ghf h HIS 120 Cb 0.84 0.65 0.00 0.00 1.55 0.00 0.00 27.41 30.45 2ghf h HIS 120 CO 0.00 -0.50 0.00 -2.95 -1.30 0.00 0.00 177.93 173.18 2ghf h ASN 121 N -0.49 0.00 0.12 3.26 -1.07 -1.71 0.83 115.58 116.52 2ghf h ASN 121 Ca 0.07 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.44 2ghf h ASN 121 Cb 0.64 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.89 2ghf h ASN 121 CO -0.47 0.00 -0.06 0.25 0.07 0.00 0.00 177.43 177.22 2ghf h LEU 122 N 0.00 -0.13 0.00 6.14 5.85 -1.19 -3.07 115.31 122.91 2ghf h LEU 122 Ca 0.00 -0.43 -0.23 0.00 0.84 0.00 0.00 57.88 58.06 2ghf h LEU 122 Cb 0.39 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 2ghf h LEU 122 CO 0.00 0.47 -1.85 2.29 -0.34 0.00 0.00 178.44 179.00 2ghf n LYS 123 N -4.87 0.37 -0.05 1.25 2.85 0.38 -4.35 118.16 113.74 2ghf n LYS 123 Ca -0.08 0.10 -0.10 0.00 -1.05 0.00 0.00 58.31 57.18 2ghf n LYS 123 Cb 0.27 -1.26 -0.09 0.00 -0.65 0.00 0.00 35.03 33.30 2ghf n LYS 123 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 2ghf h TYR 124 N -0.08 -0.02 -2.45 5.58 -1.99 0.21 -3.37 116.97 114.85 2ghf h TYR 124 Ca -0.34 -0.00 -0.67 0.00 2.00 0.00 0.00 58.73 59.72 2ghf h TYR 124 Cb 1.49 0.01 -0.38 0.00 2.00 0.00 0.00 36.73 39.85 2ghf h TYR 124 CO 0.01 0.65 -0.16 0.72 -0.00 0.00 0.00 178.16 179.38 2ghf n HIS 125 N -4.69 3.24 -2.54 4.88 8.25 0.20 -4.94 115.22 119.61 2ghf n HIS 125 Ca -0.07 -3.68 -0.37 0.00 -0.26 0.00 0.00 57.72 53.34 2ghf n HIS 125 Cb 0.33 -0.79 -0.04 0.00 1.12 0.00 0.00 29.99 30.61 2ghf n HIS 125 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2ghf s PRO 126 N -2.55 4.25 0.00 -0.41 0.04 -1.16 -4.30 135.00 130.87 2ghf s PRO 126 Ca 0.37 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2ghf s PRO 126 Cb 0.11 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 32.00 2ghf s PRO 126 CO 0.02 -0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.40 2ghf n GLY 127 N 0.48 2.29 3.71 0.56 0.00 -1.26 -5.04 105.19 105.94 2ghf n GLY 127 Ca 0.04 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 2ghf n GLY 127 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ghf s GLU 128 N 0.00 1.95 -0.39 1.61 4.04 -1.26 -5.12 118.70 119.51 2ghf s GLU 128 Ca 0.00 -1.37 0.01 0.00 0.04 0.00 0.00 54.97 53.65 2ghf s GLU 128 Cb 0.00 0.56 0.13 0.00 0.02 0.00 0.00 34.13 34.84 2ghf s GLU 128 CO 0.00 -0.87 0.21 -2.00 -1.84 0.00 0.00 175.26 170.76 2ghf s GLU 129 N -3.13 0.96 -0.36 -4.83 2.12 -1.26 -4.62 118.70 107.58 2ghf s GLU 129 Ca 0.19 -1.66 0.05 0.00 0.36 0.00 0.00 54.97 53.91 2ghf s GLU 129 Cb -0.04 -1.92 0.17 0.00 0.26 0.00 0.00 34.13 32.60 2ghf s GLU 129 CO 0.12 -1.16 0.50 -0.80 -0.54 0.00 0.00 175.26 173.37 2ghf s ASN 130 N 0.74 -0.26 -0.09 -1.70 0.01 -1.26 -5.14 114.94 107.24 2ghf s ASN 130 Ca 0.17 -0.82 -0.00 0.00 -0.71 0.00 0.00 52.86 51.50 2ghf s ASN 130 Cb -0.23 1.34 -0.03 0.00 0.41 0.00 0.00 41.25 42.74 2ghf s ASN 130 CO -0.02 -0.26 -0.07 -0.36 -1.51 0.00 0.00 177.10 174.89 2ghf s PHE 131 N 2.00 2.95 0.33 2.20 0.08 -1.26 -3.59 117.98 120.68 2ghf s PHE 131 Ca 0.14 -0.10 0.07 0.00 0.12 0.00 0.00 56.93 57.16 2ghf s PHE 131 Cb -0.10 -1.78 -0.03 0.00 -0.57 0.00 0.00 43.02 40.55 2ghf s PHE 131 CO -0.14 0.21 0.30 -1.59 -0.10 0.00 0.00 175.22 173.90 2ghf s LYS 132 N -0.46 2.78 -0.11 0.44 -2.85 0.24 -4.92 119.74 114.85 2ghf s LYS 132 Ca 0.07 -1.25 0.02 0.00 -1.00 0.00 0.00 55.97 53.80 2ghf s LYS 132 Cb -0.12 -2.52 0.02 0.00 -2.06 0.00 0.00 37.83 33.15 2ghf s LYS 132 CO 0.02 0.11 -0.15 -0.48 0.10 0.00 0.00 175.35 174.95 2ghf s LEU 133 N -4.00 1.71 -0.10 2.77 2.34 -1.26 -1.71 118.68 118.44 2ghf s LEU 133 Ca 0.41 -0.43 -0.02 0.00 0.06 0.00 0.00 54.13 54.14 2ghf s LEU 133 Cb -0.06 -1.10 0.04 0.00 -0.56 0.00 0.00 46.19 44.50 2ghf s LEU 133 CO 0.27 0.01 0.02 0.28 -1.06 0.00 0.00 176.35 175.87 2ghf s THR 134 N 1.05 0.30 -0.50 5.48 -1.32 0.12 -4.98 115.64 115.79 2ghf s THR 134 Ca -0.05 0.01 -0.17 0.00 -1.21 0.00 0.00 61.69 60.26 2ghf s THR 134 Cb -0.15 -0.58 0.07 0.00 -1.51 0.00 0.00 72.50 70.34 2ghf s THR 134 CO -0.03 0.11 0.53 -0.32 -2.21 0.00 0.00 174.62 172.70 2ghf s MET 135 N 1.99 3.04 -0.24 7.08 0.00 -1.26 0.11 119.30 130.02 2ghf s MET 135 Ca 0.04 -1.19 -0.03 0.00 0.00 0.00 0.00 55.69 54.51 2ghf s MET 135 Cb -0.13 -4.15 0.12 0.00 0.00 0.00 0.00 34.83 30.67 2ghf s MET 135 CO -0.06 -1.18 0.33 0.14 0.00 0.00 0.00 175.02 174.24 2ghf s VAL 136 N 2.14 -0.50 -0.06 10.11 -7.23 -1.18 -4.92 120.40 118.75 2ghf s VAL 136 Ca 0.09 -0.14 -0.02 0.00 -1.81 0.00 0.00 61.98 60.10 2ghf s VAL 136 Cb -0.23 -0.80 0.03 0.00 0.56 0.00 0.00 36.38 35.94 2ghf s VAL 136 CO 0.08 -0.19 0.05 -0.75 -0.31 0.00 0.00 175.10 173.98 2ghf s LYS 137 N 2.46 0.13 0.05 4.82 2.47 -1.26 -4.74 119.74 123.68 2ghf s LYS 137 Ca 0.10 0.26 0.01 0.00 -1.56 0.00 0.00 55.97 54.78 2ghf s LYS 137 Cb -0.15 -0.75 -0.04 0.00 -1.46 0.00 0.00 37.83 35.42 2ghf s LYS 137 CO -0.17 -0.35 0.13 1.03 0.16 0.00 0.00 175.35 176.15 2ghf s ARG 138 N 2.11 3.14 0.00 4.03 3.00 -1.26 -3.95 118.95 126.02 2ghf s ARG 138 Ca 0.05 -0.54 0.00 0.00 0.00 0.00 0.00 55.73 55.24 2ghf s ARG 138 Cb -0.12 -2.88 0.00 0.00 0.00 0.00 0.00 34.95 31.94 2ghf s ARG 138 CO -0.04 0.61 0.00 -1.71 0.00 0.00 0.00 175.30 174.15 2ghf n ASN 139 N 0.59 0.00 0.00 0.23 5.15 -1.26 -4.51 115.26 115.46 2ghf n ASN 139 Ca -0.09 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 2ghf n ASN 139 Cb 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.77 2ghf n ASN 139 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2ghf n ASN 140 N 1.96 0.00 -3.61 1.20 3.02 -1.26 -5.01 115.26 111.55 2ghf n ASN 140 Ca 0.00 0.56 -0.07 0.00 -0.03 0.00 0.00 54.58 55.04 2ghf n ASN 140 Cb 0.00 -0.22 -0.02 0.00 -0.61 0.00 0.00 39.78 38.93 2ghf n ASN 140 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ghf s GLN 141 N -1.43 1.10 -0.41 3.52 0.00 -1.26 -4.75 119.66 116.43 2ghf s GLN 141 Ca 0.00 -0.51 -0.18 0.00 -0.00 0.00 0.00 55.36 54.67 2ghf s GLN 141 Cb 0.00 0.44 0.02 0.00 0.00 0.00 0.00 33.01 33.46 2ghf s GLN 141 CO 0.00 -0.49 0.50 0.95 0.00 0.00 0.00 175.29 176.25 2ghf s THR 142 N -3.33 5.01 0.10 3.63 -4.23 -1.25 -4.29 115.64 111.27 2ghf s THR 142 Ca 0.08 -0.09 0.03 0.00 -1.18 0.00 0.00 61.69 60.53 2ghf s THR 142 Cb -0.02 -4.06 -0.04 0.00 1.34 0.00 0.00 72.50 69.73 2ghf s THR 142 CO -0.04 -0.42 -0.08 0.27 -0.54 0.00 0.00 174.62 173.81 2ghf s ILE 143 N 2.36 0.84 -0.22 2.99 -5.25 -1.26 -4.68 121.20 115.98 2ghf s ILE 143 Ca 0.16 -1.80 -0.22 0.00 -0.99 0.00 0.00 60.65 57.80 2ghf s ILE 143 Cb -0.16 -1.53 -0.02 0.00 2.95 0.00 0.00 42.46 43.71 2ghf s ILE 143 CO 0.15 -0.72 0.71 -0.36 -1.79 0.00 0.00 174.94 172.93 2ghf s PHE 144 N -3.04 3.34 -0.06 1.37 0.40 0.44 -3.13 117.98 117.29 2ghf s PHE 144 Ca 0.09 0.99 -0.14 0.00 -0.60 0.00 0.00 56.93 57.27 2ghf s PHE 144 Cb 0.01 -2.90 -0.05 0.00 0.51 0.00 0.00 43.02 40.59 2ghf s PHE 144 CO -0.02 -0.28 0.35 -1.21 0.70 0.00 0.00 175.22 174.76 2ghf s GLU 145 N 2.35 3.95 -0.24 0.44 2.02 0.12 -0.64 118.70 126.69 2ghf s GLU 145 Ca 0.31 0.27 0.01 0.00 0.02 0.00 0.00 54.97 55.58 2ghf s GLU 145 Cb -0.16 -3.28 0.04 0.00 0.10 0.00 0.00 34.13 30.84 2ghf s GLU 145 CO 0.09 0.57 -0.11 -1.14 0.02 0.00 0.00 175.26 174.69 2ghf s GLN 146 N -0.60 2.56 0.24 1.61 0.74 0.17 0.14 119.66 124.52 2ghf s GLN 146 Ca 0.21 -1.14 0.09 0.00 0.05 0.00 0.00 55.36 54.57 2ghf s GLN 146 Cb -0.15 -2.86 -0.04 0.00 1.10 0.00 0.00 33.01 31.06 2ghf s GLN 146 CO 0.10 -0.45 0.03 0.99 -0.55 0.00 0.00 175.29 175.40 2ghf s THR 147 N 1.21 3.67 0.17 -0.34 2.01 -0.69 -2.20 115.64 119.46 2ghf s THR 147 Ca -0.03 -1.71 0.05 0.00 0.31 0.00 0.00 61.69 60.30 2ghf s THR 147 Cb -0.18 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 2ghf s THR 147 CO -0.06 -0.31 0.14 -0.63 -0.69 0.00 0.00 174.62 173.07 2ghf s ILE 148 N -2.14 4.49 -2.42 1.82 1.01 -1.26 0.80 121.20 123.50 2ghf s ILE 148 Ca 0.31 -1.09 0.23 0.00 0.00 0.00 0.00 60.65 60.09 2ghf s ILE 148 Cb -0.07 -3.30 0.44 0.00 0.01 0.00 0.00 42.46 39.54 2ghf s ILE 148 CO 0.20 -0.12 1.43 -0.46 0.00 0.00 0.00 174.94 176.00 2ghf n ASN 149 N -0.38 3.20 0.10 3.58 2.04 -1.24 -4.47 115.26 118.09 2ghf n ASN 149 Ca -0.08 -1.96 0.00 0.00 -0.44 0.00 0.00 54.58 52.10 2ghf n ASN 149 Cb 0.55 -0.24 0.00 0.00 -2.53 0.00 0.00 39.78 37.55 2ghf n ASN 149 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 2ghf n ASP 150 N 1.32 -0.91 -0.44 0.53 -0.08 -1.26 -4.87 116.55 110.83 2ghf n ASP 150 Ca 0.19 0.37 0.00 0.00 -1.51 0.00 0.00 54.79 53.85 2ghf n ASP 150 Cb 0.56 1.01 0.02 0.00 2.34 0.00 0.00 41.12 45.05 2ghf n ASP 150 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2ghf n LEU 151 N -3.07 0.97 0.24 -2.67 4.77 -1.26 -3.78 117.00 112.21 2ghf n LEU 151 Ca 0.00 -0.49 0.07 0.00 -0.03 0.00 0.00 56.01 55.56 2ghf n LEU 151 Cb 0.00 -0.39 0.57 0.00 -2.33 0.00 0.00 43.42 41.27 2ghf n LEU 151 CO 0.00 0.21 0.96 0.74 -1.33 0.00 0.00 177.39 177.97 2ghf h THR 152 N 0.21 1.04 0.00 -5.08 2.02 -1.90 -3.48 112.91 105.72 2ghf h THR 152 Ca 0.00 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.75 2ghf h THR 152 Cb 0.44 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 2ghf h THR 152 CO 0.02 0.12 0.00 0.49 0.37 0.00 0.00 175.52 176.52