#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gfu n ALA 69 N 0.00 1.99 -3.34 3.14 0.00 -1.26 -5.05 120.51 115.99 2gfu n ALA 69 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 53.44 52.78 2gfu n ALA 69 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2gfu n ALA 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2gfu s LYS 70 N -0.21 1.20 0.20 0.00 0.00 -1.26 -5.19 119.74 114.48 2gfu s LYS 70 Ca 0.00 -0.43 0.05 0.00 0.00 0.00 0.00 55.97 55.59 2gfu s LYS 70 Cb 0.00 0.55 -0.03 0.00 0.00 0.00 0.00 37.83 38.35 2gfu s LYS 70 CO 0.00 -0.50 0.24 -0.80 0.00 0.00 0.00 175.35 174.29 2gfu s ASN 71 N -2.56 5.91 -0.25 0.03 -0.87 -1.26 -5.12 114.94 110.83 2gfu s ASN 71 Ca -0.00 -0.04 -0.07 0.00 -1.57 0.00 0.00 52.86 51.18 2gfu s ASN 71 Cb -0.00 -1.65 -0.02 0.00 -0.02 0.00 0.00 41.25 39.56 2gfu s ASN 71 CO -0.10 0.01 0.05 -0.22 -2.57 0.00 0.00 177.10 174.27 2gfu s LEU 72 N -3.52 3.39 -0.12 0.60 2.96 -1.26 -5.02 118.68 115.72 2gfu s LEU 72 Ca 0.33 -0.30 0.06 0.00 -0.22 0.00 0.00 54.13 54.00 2gfu s LEU 72 Cb -0.10 -1.89 0.37 0.00 0.50 0.00 0.00 46.19 45.08 2gfu s LEU 72 CO 0.26 -0.05 1.10 0.59 -1.32 0.00 0.00 176.35 176.93 2gfu n ASN 73 N 4.90 3.20 -0.06 3.68 4.13 -1.26 -4.87 115.26 124.97 2gfu n ASN 73 Ca -0.16 -2.45 -0.01 0.00 1.68 0.00 0.00 54.58 53.64 2gfu n ASN 73 Cb 0.51 -0.59 -0.00 0.00 -1.54 0.00 0.00 39.78 38.15 2gfu n ASN 73 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2gfu n GLY 74 N 0.25 0.45 3.85 7.41 0.00 -1.26 -5.04 105.19 110.85 2gfu n GLY 74 Ca 0.14 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 2gfu n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gfu s GLY 75 N -2.88 2.41 0.00 -0.02 0.00 -1.26 -4.58 107.32 100.99 2gfu s GLY 75 Ca 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 44.72 44.42 2gfu s GLY 75 CO 0.00 -0.01 -0.00 1.04 0.00 0.00 0.00 173.10 174.13 2gfu n LEU 76 N 1.34 0.07 0.02 0.66 4.77 0.39 -4.77 117.00 119.49 2gfu n LEU 76 Ca -0.11 0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.76 2gfu n LEU 76 Cb 0.52 -0.13 -0.09 0.00 -2.33 0.00 0.00 43.42 41.39 2gfu n LEU 76 CO 0.40 -0.51 0.49 0.03 -1.33 0.00 0.00 177.39 176.47 2gfu h ARG 77 N -0.01 -0.13 0.00 3.23 3.08 -1.96 -3.44 114.38 115.15 2gfu h ARG 77 Ca 0.00 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2gfu h ARG 77 Cb 0.01 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2gfu h ARG 77 CO 0.00 0.38 -0.01 -2.13 -1.07 0.00 0.00 179.97 177.14 2gfu n ARG 78 N -4.88 0.03 0.00 0.04 3.00 -1.26 -4.87 116.66 108.72 2gfu n ARG 78 Ca -0.08 -0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.72 2gfu n ARG 78 Cb 0.28 0.21 0.00 0.00 0.00 0.00 0.00 32.46 32.95 2gfu n ARG 78 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2gfu n SER 79 N -0.04 0.00 0.00 6.15 2.88 -1.26 -4.77 113.62 116.59 2gfu n SER 79 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2gfu n SER 79 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 2gfu n SER 79 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2gfu n VAL 80 N 4.93 0.00 -4.02 2.46 0.24 -1.26 -0.46 118.33 120.21 2gfu n VAL 80 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.97 2gfu n VAL 80 Cb 0.00 -0.72 -0.06 0.00 -1.47 0.00 0.00 33.84 31.59 2gfu n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gfu s ALA 81 N -1.86 3.73 0.36 2.33 0.00 -1.26 -5.04 121.76 120.01 2gfu s ALA 81 Ca 0.00 -0.83 -0.28 0.00 0.00 0.00 0.00 51.96 50.85 2gfu s ALA 81 Cb 0.00 -1.70 -0.11 0.00 0.00 0.00 0.00 23.12 21.31 2gfu s ALA 81 CO 0.00 0.71 1.41 -2.14 0.00 0.00 0.00 175.76 175.74 2gfu s PRO 82 N -1.79 4.22 0.26 0.00 0.02 -1.26 -4.93 135.00 131.52 2gfu s PRO 82 Ca 0.24 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.68 2gfu s PRO 82 Cb -0.12 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.38 2gfu s PRO 82 CO 0.15 -0.38 0.00 0.00 -0.33 0.00 0.00 177.00 176.44 2gfu n ALA 83 N 0.62 1.99 -2.93 -1.55 0.00 -1.26 -5.07 120.51 112.31 2gfu n ALA 83 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 2gfu n ALA 83 Cb 0.40 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.74 2gfu n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gfu s ALA 84 N -1.90 3.22 -1.02 0.00 0.00 -1.26 -5.04 121.76 115.76 2gfu s ALA 84 Ca 0.00 -1.63 -0.23 0.00 0.00 0.00 0.00 51.96 50.10 2gfu s ALA 84 Cb 0.00 -2.45 0.02 0.00 0.00 0.00 0.00 23.12 20.69 2gfu s ALA 84 CO 0.00 -1.24 1.61 -1.25 0.00 0.00 0.00 175.76 174.88 2gfu s PRO 85 N 1.53 3.35 0.00 0.00 0.04 -1.26 -4.47 135.00 134.19 2gfu s PRO 85 Ca 0.02 -1.00 0.00 0.00 0.04 0.00 0.00 61.00 60.06 2gfu s PRO 85 Cb -0.19 -5.30 0.00 0.00 0.04 0.00 0.00 34.50 29.05 2gfu s PRO 85 CO 0.06 -2.55 0.00 0.25 0.04 0.00 0.00 177.00 174.80 2gfu n THR 86 N 7.11 0.00 -1.81 1.26 -2.24 -1.26 -5.03 114.28 112.31 2gfu n THR 86 Ca 0.36 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.84 2gfu n THR 86 Cb 0.49 -0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 68.24 2gfu n THR 86 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2gfu s SER 87 N -1.36 4.73 -0.16 3.42 1.04 -1.26 -4.97 113.70 115.14 2gfu s SER 87 Ca 0.00 0.30 -0.29 0.00 0.48 0.00 0.00 55.95 56.44 2gfu s SER 87 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 2gfu s SER 87 CO 0.00 -2.89 1.65 -0.94 0.98 0.00 0.00 173.24 172.04 2gfu s SER 88 N 9.84 6.45 -0.46 7.02 1.04 -1.26 -4.96 113.70 131.36 2gfu s SER 88 Ca 0.82 1.85 0.06 0.00 0.48 0.00 0.00 55.95 59.16 2gfu s SER 88 Cb -0.13 -2.53 0.30 0.00 0.10 0.00 0.00 66.02 63.76 2gfu s SER 88 CO 0.15 -1.16 1.08 -0.67 0.98 0.00 0.00 173.24 173.62 2gfu n ASP 89 N 8.10 -2.44 -4.30 7.02 -0.08 -1.26 -4.83 116.55 118.75 2gfu n ASP 89 Ca 0.19 -3.58 -0.34 0.00 -1.51 0.00 0.00 54.79 49.55 2gfu n ASP 89 Cb 0.44 1.90 -0.15 0.00 2.34 0.00 0.00 41.12 45.65 2gfu n ASP 89 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2gfu s PHE 90 N 0.36 2.85 0.33 -0.67 0.08 -1.26 -5.12 117.98 114.54 2gfu s PHE 90 Ca 0.24 -0.94 0.08 0.00 0.12 0.00 0.00 56.93 56.43 2gfu s PHE 90 Cb 0.28 -1.95 -0.04 0.00 -0.57 0.00 0.00 43.02 40.74 2gfu s PHE 90 CO -0.10 -0.45 0.11 -1.54 -0.10 0.00 0.00 175.22 173.15 2gfu s SER 91 N 0.92 4.63 0.29 1.36 1.04 -1.26 -5.02 113.70 115.67 2gfu s SER 91 Ca -0.02 -0.77 -0.27 0.00 0.48 0.00 0.00 55.95 55.37 2gfu s SER 91 Cb -0.15 -0.74 -0.14 0.00 0.10 0.00 0.00 66.02 65.09 2gfu s SER 91 CO -0.01 -0.25 0.82 -2.65 0.98 0.00 0.00 173.24 172.13 2gfu n PRO 92 N -1.10 0.90 0.00 4.02 -0.02 -1.26 -3.90 135.00 133.64 2gfu n PRO 92 Ca -0.04 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2gfu n PRO 92 Cb 0.61 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 2gfu n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gfu n GLY 93 N 1.49 2.96 3.93 -1.23 0.00 -0.15 -4.94 105.19 107.24 2gfu n GLY 93 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 2gfu n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gfu s ASP 94 N -0.63 4.80 -0.02 1.61 1.11 -1.25 -4.87 116.67 117.42 2gfu s ASP 94 Ca 0.00 0.48 -0.11 0.00 0.18 0.00 0.00 52.55 53.10 2gfu s ASP 94 Cb 0.00 -1.12 -0.05 0.00 1.07 0.00 0.00 42.92 42.82 2gfu s ASP 94 CO 0.00 -1.61 0.31 -0.76 1.18 0.00 0.00 175.17 174.29 2gfu s LEU 95 N -5.27 4.42 0.11 1.23 2.01 -1.26 -0.87 118.68 119.05 2gfu s LEU 95 Ca 0.60 0.75 -0.01 0.00 0.01 0.00 0.00 54.13 55.48 2gfu s LEU 95 Cb -0.11 -2.51 -0.04 0.00 0.01 0.00 0.00 46.19 43.54 2gfu s LEU 95 CO 0.45 0.32 0.02 0.68 1.01 0.00 0.00 176.35 178.83 2gfu s VAL 96 N -1.14 0.20 -0.16 -1.59 -7.23 -0.91 -2.13 120.40 107.43 2gfu s VAL 96 Ca 0.23 -1.88 -0.03 0.00 -1.81 0.00 0.00 61.98 58.49 2gfu s VAL 96 Cb -0.15 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 34.90 2gfu s VAL 96 CO 0.12 -0.65 -0.05 0.26 -0.31 0.00 0.00 175.10 174.47 2gfu s TRP 97 N -3.97 2.97 -0.07 2.82 0.52 0.17 -1.29 118.94 120.10 2gfu s TRP 97 Ca 0.18 -0.45 0.02 0.00 0.02 0.00 0.00 56.10 55.87 2gfu s TRP 97 Cb 0.07 -1.96 -0.02 0.00 -1.15 0.00 0.00 33.47 30.41 2gfu s TRP 97 CO -0.02 -0.15 -0.12 0.00 0.02 0.00 0.00 176.95 176.68 2gfu s ALA 98 N 0.55 2.73 -0.10 0.98 0.00 0.15 -0.44 121.76 125.63 2gfu s ALA 98 Ca -0.04 -0.94 -0.00 0.00 0.00 0.00 0.00 51.96 50.98 2gfu s ALA 98 Cb -0.15 -1.08 -0.03 0.00 0.00 0.00 0.00 23.12 21.87 2gfu s ALA 98 CO 0.03 0.49 -0.07 0.21 0.00 0.00 0.00 175.76 176.42 2gfu s LYS 99 N -0.50 3.04 -0.03 0.00 2.47 -0.88 -1.43 119.74 122.41 2gfu s LYS 99 Ca 0.07 -0.56 0.07 0.00 -1.56 0.00 0.00 55.97 53.99 2gfu s LYS 99 Cb -0.12 -2.67 -0.02 0.00 -1.46 0.00 0.00 37.83 33.56 2gfu s LYS 99 CO 0.02 0.51 -0.25 1.41 0.16 0.00 0.00 175.35 177.19 2gfu s MET 100 N -0.39 2.28 -0.47 4.03 -2.45 -1.26 -4.79 119.30 116.24 2gfu s MET 100 Ca 0.06 -0.91 -0.27 0.00 -1.25 0.00 0.00 55.69 53.32 2gfu s MET 100 Cb -0.12 -2.10 -0.05 0.00 1.25 0.00 0.00 34.83 33.81 2gfu s MET 100 CO 0.02 0.50 2.19 -2.00 1.05 0.00 0.00 175.02 176.78 2gfu s GLU 101 N -0.45 2.47 0.00 4.11 2.12 -1.26 -1.27 118.70 124.41 2gfu s GLU 101 Ca 0.05 1.28 0.00 0.00 0.36 0.00 0.00 54.97 56.66 2gfu s GLU 101 Cb -0.11 -4.47 0.00 0.00 0.26 0.00 0.00 34.13 29.80 2gfu s GLU 101 CO 0.01 -2.87 0.00 0.41 -0.54 0.00 0.00 175.26 172.26 2gfu n GLY 102 N 5.85 1.42 3.91 -1.50 0.00 -1.26 -5.11 105.19 108.50 2gfu n GLY 102 Ca 0.30 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.12 2gfu n GLY 102 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gfu s TYR 103 N -2.09 3.06 0.89 1.61 1.51 -0.40 -5.14 117.35 116.79 2gfu s TYR 103 Ca 0.00 -0.22 -0.12 0.00 -1.01 0.00 0.00 57.07 55.72 2gfu s TYR 103 Cb 0.00 -1.81 0.13 0.00 -0.11 0.00 0.00 41.96 40.16 2gfu s TYR 103 CO 0.00 0.17 1.10 -2.14 -1.11 0.00 0.00 175.55 173.56 2gfu s PRO 104 N -4.05 1.29 0.03 -1.71 0.02 -1.26 -4.61 135.00 124.71 2gfu s PRO 104 Ca 0.41 0.66 -0.32 0.00 0.02 0.00 0.00 61.00 61.77 2gfu s PRO 104 Cb -0.08 -1.83 -0.11 0.00 0.02 0.00 0.00 34.50 32.51 2gfu s PRO 104 CO 0.28 -2.18 1.87 0.91 -0.33 0.00 0.00 177.00 177.56 2gfu n TRP 105 N -3.81 2.45 -3.93 6.54 7.02 -1.26 -4.47 117.44 119.98 2gfu n TRP 105 Ca 0.07 -0.13 -0.30 0.00 -1.02 0.00 0.00 57.50 56.12 2gfu n TRP 105 Cb 0.56 -2.71 -0.16 0.00 -2.42 0.00 0.00 31.31 26.58 2gfu n TRP 105 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 2gfu s TRP 106 N 3.53 2.19 -0.18 -5.99 0.23 -0.51 -4.86 118.94 113.35 2gfu s TRP 106 Ca 0.88 -1.54 -0.29 0.00 -2.03 0.00 0.00 56.10 53.12 2gfu s TRP 106 Cb -0.56 -1.51 -0.07 0.00 0.03 0.00 0.00 33.47 31.36 2gfu s TRP 106 CO 0.44 -0.73 2.17 -0.35 0.96 0.00 0.00 176.95 179.44 2gfu n PRO 107 N 4.73 2.06 -4.50 4.98 -0.04 -1.26 -0.67 135.00 140.30 2gfu n PRO 107 Ca -0.12 0.62 -0.24 0.00 -0.04 0.00 0.00 63.50 63.71 2gfu n PRO 107 Cb 0.46 -3.12 -0.10 0.00 -0.04 0.00 0.00 33.50 30.69 2gfu n PRO 107 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2gfu s SER 108 N 7.41 3.31 -0.07 3.54 0.15 -0.41 -3.26 113.70 124.37 2gfu s SER 108 Ca 0.99 -1.22 0.04 0.00 0.70 0.00 0.00 55.95 56.46 2gfu s SER 108 Cb -0.41 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.63 2gfu s SER 108 CO 0.38 -0.29 -0.19 -0.22 1.20 0.00 0.00 173.24 174.12 2gfu s LEU 109 N -3.55 1.92 -0.08 3.45 0.20 -0.87 -2.14 118.68 117.61 2gfu s LEU 109 Ca 0.32 -0.42 -0.28 0.00 0.69 0.00 0.00 54.13 54.43 2gfu s LEU 109 Cb 0.04 -1.12 -0.02 0.00 -0.43 0.00 0.00 46.19 44.65 2gfu s LEU 109 CO 0.15 0.14 0.92 0.54 -0.29 0.00 0.00 176.35 177.80 2gfu s VAL 110 N 0.26 4.87 0.09 1.68 0.11 -0.05 -1.42 120.40 125.94 2gfu s VAL 110 Ca -0.11 1.88 0.04 0.00 -2.93 0.00 0.00 61.98 60.86 2gfu s VAL 110 Cb -0.15 -4.24 -0.03 0.00 -1.53 0.00 0.00 36.38 30.43 2gfu s VAL 110 CO 0.05 0.10 -0.12 -0.47 -3.33 0.00 0.00 175.10 171.33 2gfu s TYR 111 N 1.53 1.12 -0.33 1.54 5.04 -0.96 -0.98 117.35 124.31 2gfu s TYR 111 Ca 0.46 -0.56 -0.09 0.00 -2.44 0.00 0.00 57.07 54.44 2gfu s TYR 111 Cb -0.19 -0.62 0.01 0.00 0.35 0.00 0.00 41.96 41.52 2gfu s TYR 111 CO 0.20 0.03 0.15 0.54 -1.34 0.00 0.00 175.55 175.13 2gfu s ASN 112 N -2.12 5.51 0.79 4.32 4.22 -1.26 -4.38 114.94 122.02 2gfu s ASN 112 Ca 0.02 -0.74 -0.11 0.00 -2.14 0.00 0.00 52.86 49.89 2gfu s ASN 112 Cb -0.06 -1.98 0.06 0.00 1.28 0.00 0.00 41.25 40.56 2gfu s ASN 112 CO 0.01 -0.26 1.09 -1.00 -2.04 0.00 0.00 177.10 174.90 2gfu s HIS 113 N 1.56 2.67 -0.65 1.54 3.76 -1.26 -4.87 115.29 118.03 2gfu s HIS 113 Ca 0.03 1.41 0.00 0.00 -0.15 0.00 0.00 55.06 56.35 2gfu s HIS 113 Cb -0.18 -3.05 0.00 0.00 1.11 0.00 0.00 32.58 30.47 2gfu s HIS 113 CO 0.05 -1.81 0.69 -2.30 -0.85 0.00 0.00 174.74 170.53 2gfu n PRO 114 N -3.51 0.00 -1.74 8.40 -0.02 -1.26 -0.89 135.00 135.99 2gfu n PRO 114 Ca 0.08 0.23 -0.35 0.00 -2.02 0.00 0.00 63.50 61.44 2gfu n PRO 114 Cb 0.54 -1.68 0.05 0.00 -0.02 0.00 0.00 33.50 32.39 2gfu n PRO 114 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2gfu n PHE 115 N -1.19 3.11 -2.58 6.00 -1.74 -1.26 -5.08 117.46 114.73 2gfu n PHE 115 Ca 0.00 -2.69 -0.34 0.00 -0.56 0.00 0.00 57.45 53.86 2gfu n PHE 115 Cb 0.18 -1.10 -0.04 0.00 1.52 0.00 0.00 39.48 40.04 2gfu n PHE 115 CO 0.00 0.00 0.00 0.16 -0.56 0.00 0.00 176.76 176.36 2gfu s ASP 116 N -1.91 6.49 0.00 5.98 -4.77 -0.07 -4.29 116.67 118.11 2gfu s ASP 116 Ca 0.57 1.92 0.00 0.00 -3.30 0.00 0.00 52.55 51.74 2gfu s ASP 116 Cb 0.46 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.73 2gfu s ASP 116 CO -0.17 -0.67 0.00 0.61 0.70 0.00 0.00 175.17 175.63 2gfu n GLY 117 N -0.17 2.86 3.16 2.12 0.00 -1.26 -4.97 105.19 106.93 2gfu n GLY 117 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 2gfu n GLY 117 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2gfu s THR 118 N -2.51 2.39 0.00 2.61 -1.32 -1.26 -4.99 115.64 110.56 2gfu s THR 118 Ca 0.00 -0.87 0.00 0.00 -1.21 0.00 0.00 61.69 59.61 2gfu s THR 118 Cb 0.00 -2.05 0.00 0.00 -1.51 0.00 0.00 72.50 68.94 2gfu s THR 118 CO 0.00 0.48 0.00 2.22 -2.21 0.00 0.00 174.62 175.11 2gfu n PHE 119 N 4.65 0.00 -4.58 9.09 -1.74 -1.26 -4.94 117.46 118.68 2gfu n PHE 119 Ca -0.20 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 56.40 2gfu n PHE 119 Cb 0.50 0.00 -0.14 0.00 1.52 0.00 0.00 39.48 41.36 2gfu n PHE 119 CO 0.00 0.00 0.00 0.96 -0.56 0.00 0.00 176.76 177.16 2gfu s ILE 120 N 0.00 2.24 -0.20 1.97 -4.36 -1.26 -3.53 121.20 116.06 2gfu s ILE 120 Ca 0.00 -1.61 0.01 0.00 -0.26 0.00 0.00 60.65 58.79 2gfu s ILE 120 Cb 0.00 -1.95 0.02 0.00 1.25 0.00 0.00 42.46 41.78 2gfu s ILE 120 CO 0.00 0.20 -0.16 -0.60 0.24 0.00 0.00 174.94 174.61 2gfu s ARG 121 N -1.75 2.92 0.56 0.37 3.00 -0.69 -5.04 118.95 118.31 2gfu s ARG 121 Ca 0.13 -0.89 0.07 0.00 -1.00 0.00 0.00 55.73 54.04 2gfu s ARG 121 Cb -0.10 -2.68 0.07 0.00 0.00 0.00 0.00 34.95 32.24 2gfu s ARG 121 CO 0.05 -0.27 0.58 -0.85 0.00 0.00 0.00 175.30 174.80 2gfu n GLU 122 N 4.62 0.65 -1.71 5.12 -0.00 -1.26 -1.16 120.64 126.90 2gfu n GLU 122 Ca -0.19 -3.29 -0.59 0.00 -0.00 0.00 0.00 57.16 53.09 2gfu n GLU 122 Cb 0.49 0.10 -0.08 0.00 -0.00 0.00 0.00 31.44 31.96 2gfu n GLU 122 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2gfu n LYS 123 N -1.99 0.97 0.00 3.44 4.76 -1.25 -4.18 118.16 119.91 2gfu n LYS 123 Ca 0.06 0.35 0.00 0.00 -2.87 0.00 0.00 58.31 55.85 2gfu n LYS 123 Cb 0.61 -2.02 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 2gfu n LYS 123 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2gfu n GLY 124 N 4.27 0.07 0.44 0.72 0.00 -1.26 -4.92 105.19 104.51 2gfu n GLY 124 Ca 0.28 0.17 -0.14 0.00 0.00 0.00 0.00 46.02 46.33 2gfu n GLY 124 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gfu n LYS 125 N 0.00 0.31 -3.56 1.61 4.76 -1.26 -5.12 118.16 114.90 2gfu n LYS 125 Ca 0.00 0.12 0.04 0.00 -2.87 0.00 0.00 58.31 55.59 2gfu n LYS 125 Cb 0.00 -1.06 -0.00 0.00 -1.84 0.00 0.00 35.03 32.12 2gfu n LYS 125 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2gfu s SER 126 N -6.03 -0.01 -0.38 4.39 0.01 -1.26 -5.11 113.70 105.31 2gfu s SER 126 Ca -0.19 -0.01 -0.07 0.00 1.31 0.00 0.00 55.95 56.98 2gfu s SER 126 Cb 0.07 0.02 0.06 0.00 0.21 0.00 0.00 66.02 66.38 2gfu s SER 126 CO 0.26 -0.03 0.19 0.68 0.41 0.00 0.00 173.24 174.74 2gfu s VAL 127 N -2.05 3.97 -0.12 3.43 -7.23 -1.26 -3.81 120.40 113.32 2gfu s VAL 127 Ca 0.15 -1.32 0.01 0.00 -1.81 0.00 0.00 61.98 59.01 2gfu s VAL 127 Cb 0.07 -3.37 -0.01 0.00 0.56 0.00 0.00 36.38 33.64 2gfu s VAL 127 CO -0.07 -0.37 -0.15 -0.13 -0.31 0.00 0.00 175.10 174.08 2gfu s ARG 128 N 1.40 3.31 0.19 4.82 0.52 -0.31 -0.63 118.95 128.25 2gfu s ARG 128 Ca 0.01 -0.71 0.05 0.00 -0.52 0.00 0.00 55.73 54.56 2gfu s ARG 128 Cb -0.21 -2.57 -0.05 0.00 0.52 0.00 0.00 34.95 32.64 2gfu s ARG 128 CO 0.02 0.22 -0.08 0.14 0.02 0.00 0.00 175.30 175.63 2gfu s VAL 129 N 0.31 1.24 -0.01 3.52 -7.23 -1.19 -1.71 120.40 115.33 2gfu s VAL 129 Ca -0.11 -2.08 -0.16 0.00 -1.81 0.00 0.00 61.98 57.82 2gfu s VAL 129 Cb -0.16 -2.06 -0.06 0.00 0.56 0.00 0.00 36.38 34.67 2gfu s VAL 129 CO 0.06 -0.57 0.44 -1.38 -0.31 0.00 0.00 175.10 173.33 2gfu s HIS 130 N -3.28 3.71 0.22 2.82 -3.43 -1.23 -1.10 115.29 113.00 2gfu s HIS 130 Ca 0.22 1.01 -0.12 0.00 -0.80 0.00 0.00 55.06 55.37 2gfu s HIS 130 Cb 0.03 -2.35 -0.00 0.00 -1.43 0.00 0.00 32.58 28.82 2gfu s HIS 130 CO 0.05 0.57 0.42 0.14 -2.00 0.00 0.00 174.74 173.92 2gfu s VAL 131 N -0.84 0.01 0.15 -5.38 -7.23 -1.22 -2.26 120.40 103.64 2gfu s VAL 131 Ca 0.25 -1.39 0.10 0.00 -1.81 0.00 0.00 61.98 59.12 2gfu s VAL 131 Cb -0.17 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 2gfu s VAL 131 CO 0.14 -0.06 -0.23 0.00 -0.31 0.00 0.00 175.10 174.64 2gfu s GLN 132 N -4.01 1.34 -0.19 4.82 -2.07 -0.51 -3.64 119.66 115.41 2gfu s GLN 132 Ca 0.22 -1.37 -0.05 0.00 -1.82 0.00 0.00 55.36 52.33 2gfu s GLN 132 Cb 0.01 -1.63 -0.03 0.00 -1.09 0.00 0.00 33.01 30.27 2gfu s GLN 132 CO 0.07 0.36 0.00 -0.06 -1.32 0.00 0.00 175.29 174.34 2gfu s PHE 133 N -1.51 3.06 -0.57 9.60 0.08 -0.03 -2.05 117.98 126.56 2gfu s PHE 133 Ca 0.15 -0.38 -0.15 0.00 0.12 0.00 0.00 56.93 56.66 2gfu s PHE 133 Cb -0.08 -2.07 -0.13 0.00 -0.57 0.00 0.00 43.02 40.16 2gfu s PHE 133 CO 0.07 -0.18 1.79 1.19 -0.10 0.00 0.00 175.22 177.99 2gfu n PHE 134 N 4.10 1.13 0.00 0.36 3.72 -1.20 -2.64 117.46 122.92 2gfu n PHE 134 Ca -0.17 -1.45 0.00 0.00 -0.05 0.00 0.00 57.45 55.78 2gfu n PHE 134 Cb 0.52 -1.37 0.00 0.00 -0.94 0.00 0.00 39.48 37.69 2gfu n PHE 134 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2gfu n ASP 135 N 6.31 0.00 -0.09 4.37 9.92 -1.26 -4.62 116.55 131.17 2gfu n ASP 135 Ca 0.40 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.47 2gfu n ASP 135 Cb 0.26 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.67 2gfu n ASP 135 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2gfu n ASP 136 N 0.00 1.43 0.02 -2.24 8.00 -1.26 -4.88 116.55 117.62 2gfu n ASP 136 Ca 0.00 0.20 -0.13 0.00 0.71 0.00 0.00 54.79 55.57 2gfu n ASP 136 Cb 0.00 -0.52 -0.09 0.00 -0.02 0.00 0.00 41.12 40.49 2gfu n ASP 136 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 2gfu h SER 137 N -0.60 -0.08 -3.63 -2.24 0.87 -1.97 -3.48 113.55 102.41 2gfu h SER 137 Ca -0.46 -0.43 -0.40 0.00 -1.23 0.00 0.00 61.79 59.27 2gfu h SER 137 Cb 1.43 0.02 0.17 0.00 -0.44 0.00 0.00 62.40 63.58 2gfu h SER 137 CO -0.26 0.41 0.34 -0.81 -0.53 0.00 0.00 176.83 175.98 2gfu n PRO 138 N -4.90 -1.56 -3.44 2.24 -0.04 -1.26 -4.84 135.00 121.20 2gfu n PRO 138 Ca -0.09 -1.87 -0.37 0.00 -0.04 0.00 0.00 63.50 61.13 2gfu n PRO 138 Cb 0.26 -1.33 -0.07 0.00 -0.04 0.00 0.00 33.50 32.32 2gfu n PRO 138 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2gfu s THR 139 N -3.56 5.24 0.09 0.52 2.01 -1.08 -4.95 115.64 113.90 2gfu s THR 139 Ca 0.70 0.65 -0.17 0.00 0.31 0.00 0.00 61.69 63.17 2gfu s THR 139 Cb -0.03 -3.69 0.04 0.00 0.01 0.00 0.00 72.50 68.83 2gfu s THR 139 CO 0.50 0.31 0.41 -0.60 -0.69 0.00 0.00 174.62 174.55 2gfu s ARG 140 N 0.97 1.00 0.00 4.92 3.52 -1.26 -0.85 118.95 127.26 2gfu s ARG 140 Ca 0.18 -0.53 0.00 0.00 -0.13 0.00 0.00 55.73 55.25 2gfu s ARG 140 Cb -0.14 0.44 0.00 0.00 -1.56 0.00 0.00 34.95 33.69 2gfu s ARG 140 CO 0.07 -0.37 0.00 0.41 -0.81 0.00 0.00 175.30 174.59 2gfu n GLY 141 N 0.12 -0.57 3.60 8.12 0.00 -1.24 -5.07 105.19 110.16 2gfu n GLY 141 Ca -0.17 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 2gfu n GLY 141 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2gfu s TRP 142 N -3.07 3.04 0.72 1.61 0.52 -1.26 -3.41 118.94 117.08 2gfu s TRP 142 Ca 0.00 0.77 -0.00 0.00 0.02 0.00 0.00 56.10 56.89 2gfu s TRP 142 Cb 0.00 -3.79 0.13 0.00 -1.15 0.00 0.00 33.47 28.66 2gfu s TRP 142 CO 0.00 -0.91 0.99 0.14 0.02 0.00 0.00 176.95 177.20 2gfu s VAL 143 N 3.66 2.10 -0.27 4.03 -7.23 -0.26 -4.94 120.40 117.49 2gfu s VAL 143 Ca 0.40 -0.62 -0.11 0.00 -1.81 0.00 0.00 61.98 59.84 2gfu s VAL 143 Cb -0.11 -2.48 -0.05 0.00 0.56 0.00 0.00 36.38 34.30 2gfu s VAL 143 CO 0.21 0.00 0.19 -0.44 -0.31 0.00 0.00 175.10 174.75 2gfu s SER 144 N -4.75 6.05 0.05 4.85 0.01 -1.26 -3.18 113.70 115.47 2gfu s SER 144 Ca 0.67 0.03 0.20 0.00 1.31 0.00 0.00 55.95 58.16 2gfu s SER 144 Cb -0.05 -2.12 0.85 0.00 0.21 0.00 0.00 66.02 64.91 2gfu s SER 144 CO 0.44 -0.03 1.64 1.17 0.41 0.00 0.00 173.24 176.88 2gfu n LYS 145 N 4.89 0.05 0.09 12.44 4.81 0.20 -2.44 118.16 138.20 2gfu n LYS 145 Ca -0.14 0.21 0.11 0.00 -0.87 0.00 0.00 58.31 57.62 2gfu n LYS 145 Cb 0.52 -1.57 0.45 0.00 0.02 0.00 0.00 35.03 34.44 2gfu n LYS 145 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2gfu n ARG 146 N -1.66 0.16 -0.25 1.64 1.74 -1.26 -2.23 116.66 114.80 2gfu n ARG 146 Ca 0.04 0.32 0.10 0.00 -0.77 0.00 0.00 57.85 57.55 2gfu n ARG 146 Cb 0.24 -1.76 0.23 0.00 -1.02 0.00 0.00 32.46 30.16 2gfu n ARG 146 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2gfu n LEU 147 N -2.05 3.46 -4.67 0.55 4.77 -1.02 -4.88 117.00 113.16 2gfu n LEU 147 Ca 0.03 -1.76 -0.38 0.00 -0.03 0.00 0.00 56.01 53.88 2gfu n LEU 147 Cb 0.26 -0.32 -0.08 0.00 -2.33 0.00 0.00 43.42 40.95 2gfu n LEU 147 CO 0.21 0.81 0.00 -0.76 -1.33 0.00 0.00 177.39 176.33 2gfu s LEU 148 N -1.17 4.15 0.26 2.23 1.43 -0.95 -2.08 118.68 122.55 2gfu s LEU 148 Ca 0.38 0.38 0.10 0.00 -1.03 0.00 0.00 54.13 53.96 2gfu s LEU 148 Cb 0.21 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 2gfu s LEU 148 CO 0.28 -0.02 -0.05 -0.54 0.23 0.00 0.00 176.35 176.25 2gfu s LYS 149 N 1.19 2.15 0.48 1.70 1.02 0.42 -4.72 119.74 121.98 2gfu s LYS 149 Ca 0.15 -1.46 -0.13 0.00 0.02 0.00 0.00 55.97 54.56 2gfu s LYS 149 Cb -0.14 -2.09 -0.06 0.00 -0.52 0.00 0.00 37.83 35.01 2gfu s LYS 149 CO 0.07 0.37 0.89 -1.25 -0.92 0.00 0.00 175.35 174.50 2gfu s PRO 150 N -3.51 3.80 0.00 -1.68 0.04 -1.26 -0.65 135.00 131.74 2gfu s PRO 150 Ca 0.30 0.68 0.00 0.00 0.04 0.00 0.00 61.00 62.02 2gfu s PRO 150 Cb -0.07 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2gfu s PRO 150 CO 0.18 -0.21 0.00 2.48 0.04 0.00 0.00 177.00 179.49 2gfu n TYR 151 N -1.67 0.00 0.00 0.56 4.11 -0.91 -4.63 117.16 114.62 2gfu n TYR 151 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.94 2gfu n TYR 151 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.88 2gfu n TYR 151 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.86 174.49 2gfu n THR 152 N 0.00 0.00 0.00 -3.48 5.66 -1.26 -4.80 114.28 110.40 2gfu n THR 152 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2gfu n THR 152 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2gfu n THR 152 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2gfu n GLY 153 N 0.00 1.77 0.42 1.09 0.00 -1.26 -4.23 105.19 102.98 2gfu n GLY 153 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 2gfu n GLY 153 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2gfu h SER 154 N 0.00 0.00 1.80 1.61 0.02 -1.86 0.43 113.55 115.55 2gfu h SER 154 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2gfu h SER 154 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2gfu h SER 154 CO 0.00 0.00 -0.02 0.07 -1.14 0.00 0.00 176.83 175.74 2gfu h LYS 155 N 0.00 0.00 -7.05 3.45 2.10 -1.91 -3.43 116.57 109.73 2gfu h LYS 155 Ca 0.23 0.00 -0.45 0.00 -2.00 0.00 0.00 60.65 58.43 2gfu h LYS 155 Cb 1.83 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.14 2gfu h LYS 155 CO -0.00 0.00 0.33 0.45 -2.00 0.00 0.00 179.45 178.22 2gfu s SER 156 N -5.61 6.87 0.59 7.07 0.15 0.15 -4.99 113.70 117.93 2gfu s SER 156 Ca 0.08 1.63 0.36 0.00 0.70 0.00 0.00 55.95 58.72 2gfu s SER 156 Cb 0.08 -2.52 1.78 0.00 -1.71 0.00 0.00 66.02 63.64 2gfu s SER 156 CO 0.65 -0.39 2.15 0.50 1.20 0.00 0.00 173.24 177.35 2gfu h LYS 157 N 1.77 0.00 0.00 5.44 3.64 -1.91 -0.57 116.57 124.94 2gfu h LYS 157 Ca -0.49 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.85 2gfu h LYS 157 Cb 1.18 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 2gfu h LYS 157 CO 0.61 0.04 -0.19 0.93 -2.27 0.00 0.00 179.45 178.57 2gfu h GLU 158 N 0.00 0.00 -0.50 1.90 5.08 -1.91 -3.02 114.58 116.13 2gfu h GLU 158 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2gfu h GLU 158 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2gfu h GLU 158 CO 0.00 0.19 0.00 0.00 -1.00 0.00 0.00 179.01 178.20 2gfu n ALA 159 N -2.19 2.50 -4.54 3.43 0.00 -0.23 -2.46 120.51 117.01 2gfu n ALA 159 Ca 0.01 -1.40 -0.29 0.00 0.00 0.00 0.00 53.44 51.76 2gfu n ALA 159 Cb 0.44 -0.71 -0.07 0.00 0.00 0.00 0.00 19.45 19.11 2gfu n ALA 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gfu n GLN 160 N 0.84 0.63 -1.68 0.00 -0.00 -1.20 -4.78 117.38 111.19 2gfu n GLN 160 Ca 0.19 -3.51 -0.47 0.00 -0.00 0.00 0.00 57.00 53.21 2gfu n GLN 160 Cb 0.62 1.66 -0.04 0.00 -0.00 0.00 0.00 30.24 32.48 2gfu n GLN 160 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2gfu n LYS 161 N -1.00 2.24 0.00 2.61 3.00 -1.26 -0.58 118.16 123.17 2gfu n LYS 161 Ca -0.10 0.82 0.00 0.00 -0.00 0.00 0.00 58.31 59.03 2gfu n LYS 161 Cb 0.62 -2.66 0.00 0.00 0.00 0.00 0.00 35.03 32.99 2gfu n LYS 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2gfu n GLY 162 N 4.17 0.34 3.80 3.14 0.00 -1.26 -5.05 105.19 110.34 2gfu n GLY 162 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 2gfu n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gfu s GLY 163 N -2.00 2.62 0.64 -0.02 0.00 0.25 -4.93 107.32 103.87 2gfu s GLY 163 Ca 0.00 0.37 0.38 0.00 0.00 0.00 0.00 44.72 45.47 2gfu s GLY 163 CO 0.00 0.73 2.32 0.45 0.00 0.00 0.00 173.10 176.60 2gfu h HIS 164 N 2.83 0.00 -0.01 1.90 3.86 -1.76 -2.76 115.15 119.21 2gfu h HIS 164 Ca -0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 2gfu h HIS 164 Cb 1.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.66 2gfu h HIS 164 CO 0.62 0.00 -0.17 1.19 0.86 0.00 0.00 177.93 180.43 2gfu n PHE 165 N -3.41 0.00 -2.82 2.45 3.72 -1.03 -5.00 117.46 111.37 2gfu n PHE 165 Ca -0.03 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.94 2gfu n PHE 165 Cb 0.09 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 2gfu n PHE 165 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 2gfu s TYR 166 N -1.30 2.90 -0.31 1.38 5.04 -1.04 -4.75 117.35 119.27 2gfu s TYR 166 Ca 0.10 -1.12 0.02 0.00 -2.44 0.00 0.00 57.07 53.63 2gfu s TYR 166 Cb 0.09 -4.39 0.08 0.00 0.35 0.00 0.00 41.96 38.09 2gfu s TYR 166 CO 0.24 -1.63 -0.00 -1.12 -1.34 0.00 0.00 175.55 171.69 2gfu s SER 167 N 3.96 4.70 -0.60 4.32 0.01 -1.26 -4.88 113.70 119.94 2gfu s SER 167 Ca 0.34 -1.76 -0.21 0.00 1.31 0.00 0.00 55.95 55.63 2gfu s SER 167 Cb -0.05 -1.62 0.08 0.00 0.21 0.00 0.00 66.02 64.63 2gfu s SER 167 CO -0.06 -0.31 0.82 0.00 0.41 0.00 0.00 173.24 174.09 2gfu s ALA 168 N 1.03 3.27 0.05 1.44 0.00 -1.26 -4.78 121.76 121.51 2gfu s ALA 168 Ca 0.01 -1.91 0.09 0.00 0.00 0.00 0.00 51.96 50.15 2gfu s ALA 168 Cb -0.20 -3.65 -0.03 0.00 0.00 0.00 0.00 23.12 19.24 2gfu s ALA 168 CO -0.06 -2.47 -0.25 0.21 0.00 0.00 0.00 175.76 173.20 2gfu s LYS 169 N 3.33 1.82 0.49 0.00 2.20 -1.26 -4.99 119.74 121.34 2gfu s LYS 169 Ca 0.18 -1.10 0.27 0.00 -0.36 0.00 0.00 55.97 54.95 2gfu s LYS 169 Cb -0.19 -2.01 1.34 0.00 -1.51 0.00 0.00 37.83 35.46 2gfu s LYS 169 CO 0.10 0.51 1.88 -1.00 -0.36 0.00 0.00 175.35 176.48 2gfu h PRO 170 N 4.69 0.14 -0.26 4.03 0.13 -1.98 0.55 132.00 139.29 2gfu h PRO 170 Ca -0.47 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 64.51 2gfu h PRO 170 Cb 1.15 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2gfu h PRO 170 CO 0.44 0.09 -0.43 0.93 -0.23 0.00 0.00 178.00 178.80 2gfu h GLU 171 N 0.14 0.66 0.07 0.86 5.08 -1.96 0.66 114.58 120.09 2gfu h GLU 171 Ca 0.44 -0.35 -0.25 0.00 -1.00 0.00 0.00 59.36 58.21 2gfu h GLU 171 Cb 1.52 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 2gfu h GLU 171 CO -0.07 0.96 -1.11 0.82 -1.00 0.00 0.00 179.01 178.60 2gfu h ILE 172 N 0.53 1.54 0.30 3.13 2.04 -1.45 -2.01 117.51 121.58 2gfu h ILE 172 Ca 0.04 -3.02 -0.01 0.00 1.00 0.00 0.00 64.86 62.86 2gfu h ILE 172 Cb 0.96 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.85 2gfu h ILE 172 CO 0.09 0.88 -0.14 -0.07 0.00 0.00 0.00 178.15 178.90 2gfu h LEU 173 N 0.08 -0.34 -0.06 1.44 3.38 -0.92 -2.25 115.31 116.63 2gfu h LEU 173 Ca -0.09 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.85 2gfu h LEU 173 Cb 1.83 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.64 2gfu h LEU 173 CO 0.17 -0.16 -0.07 -0.09 0.09 0.00 0.00 178.44 178.39 2gfu h ARG 174 N -0.50 -0.09 -0.48 1.13 1.12 -0.93 -1.87 114.38 112.76 2gfu h ARG 174 Ca -0.04 0.01 0.01 0.00 -1.11 0.00 0.00 59.98 58.84 2gfu h ARG 174 Cb 0.37 0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.33 2gfu h ARG 174 CO 0.07 -0.06 0.32 0.00 -3.11 0.00 0.00 179.97 177.18 2gfu h ALA 175 N 0.96 1.68 -0.40 2.80 0.00 -1.43 0.23 119.26 123.10 2gfu h ALA 175 Ca 0.05 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 2gfu h ALA 175 Cb 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2gfu h ALA 175 CO -0.12 0.29 -0.32 0.52 0.00 0.00 0.00 179.25 179.62 2gfu h MET 176 N 0.63 0.90 -0.08 0.00 2.86 -1.04 0.38 114.93 118.57 2gfu h MET 176 Ca 0.18 -0.43 -0.18 0.00 -2.06 0.00 0.00 59.70 57.20 2gfu h MET 176 Cb -0.05 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.62 2gfu h MET 176 CO -0.04 1.08 -0.66 1.96 1.06 0.00 0.00 176.91 180.31 2gfu h GLN 177 N 0.75 0.60 0.28 1.72 4.20 -0.41 -0.03 115.11 122.21 2gfu h GLN 177 Ca 0.08 -0.53 -0.01 0.00 0.06 0.00 0.00 58.65 58.24 2gfu h GLN 177 Cb 0.89 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.80 2gfu h GLN 177 CO 0.08 1.15 -0.13 -0.09 -0.67 0.00 0.00 178.83 179.17 2gfu h ARG 178 N 0.22 -0.36 0.16 1.46 9.65 -0.72 -0.27 114.38 124.52 2gfu h ARG 178 Ca -0.06 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 2gfu h ARG 178 Cb 1.32 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.98 2gfu h ARG 178 CO 0.13 -0.13 -0.08 0.00 2.80 0.00 0.00 179.97 182.70 2gfu h ALA 179 N 0.14 -0.21 -0.27 2.80 0.00 -1.03 -2.86 119.26 117.83 2gfu h ALA 179 Ca -0.04 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.88 2gfu h ALA 179 Cb 0.39 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 2gfu h ALA 179 CO 0.06 -0.61 -0.14 0.22 0.00 0.00 0.00 179.25 178.79 2gfu h ASP 180 N -0.23 -0.46 -0.77 0.00 3.58 -0.98 0.33 116.42 117.88 2gfu h ASP 180 Ca -0.02 0.11 0.09 0.00 0.42 0.00 0.00 57.03 57.63 2gfu h ASP 180 Cb 0.18 0.25 -0.07 0.00 1.72 0.00 0.00 39.33 41.41 2gfu h ASP 180 CO 0.04 -0.17 0.42 -0.08 -2.88 0.00 0.00 179.24 176.56 2gfu h GLU 181 N -0.10 0.69 0.01 0.28 4.57 -1.09 0.10 114.58 119.04 2gfu h GLU 181 Ca 0.14 -0.04 -0.24 0.00 -1.18 0.00 0.00 59.36 58.04 2gfu h GLU 181 Cb 0.32 -0.16 0.02 0.00 -0.16 0.00 0.00 28.75 28.77 2gfu h GLU 181 CO -0.34 0.46 -0.96 0.00 -1.18 0.00 0.00 179.01 176.99 2gfu h ALA 182 N 1.44 0.10 -0.40 2.92 0.00 -1.24 -2.72 119.26 119.36 2gfu h ALA 182 Ca 0.37 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2gfu h ALA 182 Cb 0.36 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2gfu h ALA 182 CO -0.25 0.60 0.22 1.25 0.00 0.00 0.00 179.25 181.07 2gfu h LEU 183 N 0.26 0.50 0.00 0.00 6.46 -0.84 -3.03 115.31 118.67 2gfu h LEU 183 Ca -0.12 -0.09 -0.20 0.00 -0.12 0.00 0.00 57.88 57.34 2gfu h LEU 183 Cb 1.63 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 41.40 2gfu h LEU 183 CO 0.19 0.45 -1.09 -0.55 -0.62 0.00 0.00 178.44 176.82 2gfu h ASN 184 N 0.51 0.00 0.00 1.25 -1.07 -0.94 -3.46 115.58 111.87 2gfu h ASN 184 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.51 2gfu h ASN 184 Cb 0.06 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.31 2gfu h ASN 184 CO -0.02 0.86 0.00 0.29 0.07 0.00 0.00 177.43 178.63 2gfu n LYS 185 N -3.22 0.00 -4.11 4.14 5.02 -1.03 -5.07 118.16 113.90 2gfu n LYS 185 Ca -0.04 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.13 2gfu n LYS 185 Cb 0.91 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.81 2gfu n LYS 185 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2gfu s ASP 186 N -0.45 1.03 0.37 4.39 1.01 -1.14 -5.04 116.67 116.84 2gfu s ASP 186 Ca 0.00 -0.74 0.13 0.00 0.71 0.00 0.00 52.55 52.65 2gfu s ASP 186 Cb 0.00 0.05 0.94 0.00 1.01 0.00 0.00 42.92 44.92 2gfu s ASP 186 CO 0.00 -0.30 1.82 0.50 0.21 0.00 0.00 175.17 177.40 2gfu h LYS 187 N 3.87 0.55 -0.25 8.23 3.64 -1.94 -1.81 116.57 128.86 2gfu h LYS 187 Ca -0.36 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.06 2gfu h LYS 187 Cb 1.19 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 2gfu h LYS 187 CO 0.50 0.36 0.20 0.97 -2.27 0.00 0.00 179.45 179.22 2gfu h ILE 188 N 0.57 0.72 -0.15 2.00 6.09 -1.96 0.17 117.51 124.94 2gfu h ILE 188 Ca 0.53 0.00 -0.07 0.00 -1.37 0.00 0.00 64.86 63.94 2gfu h ILE 188 Cb 1.08 0.85 -0.00 0.00 0.47 0.00 0.00 36.82 39.22 2gfu h ILE 188 CO -0.27 0.00 -0.18 0.11 -3.07 0.00 0.00 178.15 174.74 2gfu h LYS 189 N 0.00 0.39 -0.04 2.19 6.56 -1.65 -2.61 116.57 121.41 2gfu h LYS 189 Ca 0.12 -0.22 -0.25 0.00 -1.06 0.00 0.00 60.65 59.24 2gfu h LYS 189 Cb 0.52 0.01 0.02 0.00 -0.57 0.00 0.00 32.23 32.21 2gfu h LYS 189 CO -0.00 0.79 -0.96 0.07 -2.06 0.00 0.00 179.45 177.28 2gfu h ARG 190 N 0.02 0.72 0.00 3.15 -0.00 -1.63 -3.34 114.38 113.30 2gfu h ARG 190 Ca 0.02 -0.72 -0.01 0.00 -0.00 0.00 0.00 59.98 59.27 2gfu h ARG 190 Cb 0.73 0.19 -0.00 0.00 -0.00 0.00 0.00 29.97 30.89 2gfu h ARG 190 CO 0.04 1.30 -0.14 1.25 -0.00 0.00 0.00 179.97 182.43 2gfu h LEU 191 N 0.42 0.00 0.00 0.08 5.85 -1.08 -2.02 115.31 118.56 2gfu h LEU 191 Ca -0.11 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 2gfu h LEU 191 Cb 1.61 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 2gfu h LEU 191 CO 0.19 0.06 -0.54 -0.33 -0.34 0.00 0.00 178.44 177.48 2gfu h GLU 192 N 0.00 0.00 -0.53 1.25 4.39 -1.65 -3.27 114.58 114.77 2gfu h GLU 192 Ca -0.00 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 2gfu h GLU 192 Cb 1.05 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.62 2gfu h GLU 192 CO 0.01 0.24 0.12 1.28 -1.16 0.00 0.00 179.01 179.49 2gfu n LEU 193 N -3.06 5.16 0.00 1.33 4.32 -1.14 -4.82 117.00 118.79 2gfu n LEU 193 Ca 0.01 -3.21 0.00 0.00 -0.02 0.00 0.00 56.01 52.79 2gfu n LEU 193 Cb 0.66 -0.67 0.00 0.00 -1.62 0.00 0.00 43.42 41.79 2gfu n LEU 193 CO 0.39 0.81 0.00 0.00 -1.22 0.00 0.00 177.39 177.37 2gfu n ALA 194 N -0.31 0.00 -3.69 -1.18 0.00 -0.77 -4.84 120.51 109.72 2gfu n ALA 194 Ca 0.33 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.48 2gfu n ALA 194 Cb 1.18 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.50 2gfu n ALA 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2gfu s VAL 195 N 0.00 1.34 -1.05 0.00 -7.23 -1.26 -4.94 120.40 107.25 2gfu s VAL 195 Ca 0.00 -2.58 -0.05 0.00 -1.81 0.00 0.00 61.98 57.54 2gfu s VAL 195 Cb 0.00 -1.93 0.08 0.00 0.56 0.00 0.00 36.38 35.08 2gfu s VAL 195 CO 0.00 -0.92 2.57 -1.20 -0.31 0.00 0.00 175.10 175.24 2gfu n SER 196 N 3.48 7.56 -0.47 4.85 7.64 -1.26 -4.66 113.62 130.76 2gfu n SER 196 Ca 0.10 -3.11 0.12 0.00 1.01 0.00 0.00 58.87 57.00 2gfu n SER 196 Cb 0.35 -1.34 0.25 0.00 -1.01 0.00 0.00 64.21 62.47 2gfu n SER 196 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2gfu n ASP 197 N 1.62 1.71 0.02 6.43 9.92 -1.26 -4.83 116.55 130.16 2gfu n ASP 197 Ca 0.59 -1.36 0.00 0.00 -0.53 0.00 0.00 54.79 53.49 2gfu n ASP 197 Cb 0.35 0.19 0.00 0.00 -0.64 0.00 0.00 41.12 41.02 2gfu n ASP 197 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2gfu n GLU 198 N -0.00 0.00 -1.94 -1.24 2.13 -1.26 -5.11 120.64 113.21 2gfu n GLU 198 Ca 0.13 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.65 2gfu n GLU 198 Cb 0.42 0.00 0.19 0.00 0.27 0.00 0.00 31.44 32.33 2gfu n GLU 198 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2gfu s PRO 199 N -1.08 0.54 -0.16 5.31 0.04 -1.26 -5.06 135.00 133.33 2gfu s PRO 199 Ca 0.00 -0.46 -0.16 0.00 0.04 0.00 0.00 61.00 60.43 2gfu s PRO 199 Cb 0.00 -1.84 -0.23 0.00 0.04 0.00 0.00 34.50 32.47 2gfu s PRO 199 CO 0.00 -2.48 0.31 0.77 0.04 0.00 0.00 177.00 175.64 2gfu h SER 200 N -1.69 0.19 -0.02 6.66 0.02 -1.90 -3.39 113.55 113.44 2gfu h SER 200 Ca -0.44 -0.71 0.00 0.00 -0.84 0.00 0.00 61.79 59.80 2gfu h SER 200 Cb 1.23 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2gfu h SER 200 CO 0.36 1.64 0.00 -0.62 -1.14 0.00 0.00 176.83 177.06