#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gfu s ALA 69 N 0.00 -1.48 0.19 3.14 0.00 -1.26 -5.20 121.76 117.15 2gfu s ALA 69 Ca 0.00 0.13 -0.14 0.00 0.00 0.00 0.00 51.96 51.96 2gfu s ALA 69 Cb 0.00 0.77 0.01 0.00 0.00 0.00 0.00 23.12 23.90 2gfu s ALA 69 CO 0.00 -0.93 0.43 -1.59 0.00 0.00 0.00 175.76 173.66 2gfu s LYS 70 N -3.65 1.31 0.12 0.00 -2.85 -1.26 -5.18 119.74 108.23 2gfu s LYS 70 Ca 0.08 -1.01 0.03 0.00 -1.00 0.00 0.00 55.97 54.07 2gfu s LYS 70 Cb -0.03 0.46 -0.04 0.00 -2.06 0.00 0.00 37.83 36.16 2gfu s LYS 70 CO -0.01 -0.53 0.16 -0.80 0.10 0.00 0.00 175.35 174.27 2gfu s ASN 71 N -2.92 5.81 0.05 0.03 0.01 -1.26 -5.07 114.94 111.58 2gfu s ASN 71 Ca 0.13 0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.31 2gfu s ASN 71 Cb 0.01 -1.62 0.00 0.00 0.41 0.00 0.00 41.25 40.04 2gfu s ASN 71 CO -0.01 0.11 0.00 0.18 -1.51 0.00 0.00 177.10 175.87 2gfu n LEU 72 N -0.05 -0.10 -1.32 0.60 4.77 -1.26 -4.73 117.00 114.92 2gfu n LEU 72 Ca -0.08 0.22 0.05 0.00 -0.03 0.00 0.00 56.01 56.17 2gfu n LEU 72 Cb 0.53 -0.57 0.30 0.00 -2.33 0.00 0.00 43.42 41.35 2gfu n LEU 72 CO 0.46 -0.46 0.80 -3.20 -1.33 0.00 0.00 177.39 173.66 2gfu n ASN 73 N -1.83 4.38 0.00 -1.43 5.15 -1.26 -4.92 115.26 115.34 2gfu n ASN 73 Ca -0.00 -3.09 0.00 0.00 -0.60 0.00 0.00 54.58 50.89 2gfu n ASN 73 Cb 0.08 -0.62 0.00 0.00 -0.53 0.00 0.00 39.78 38.72 2gfu n ASN 73 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2gfu n GLY 74 N -0.24 2.34 0.00 8.20 0.00 -1.26 -4.03 105.19 110.21 2gfu n GLY 74 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2gfu n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gfu n GLY 75 N -2.00 1.00 2.73 -0.02 0.00 -1.26 -5.02 105.19 100.61 2gfu n GLY 75 Ca 0.00 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2gfu n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gfu n LEU 76 N 0.00 5.99 0.22 0.99 4.77 -1.26 -4.59 117.00 123.13 2gfu n LEU 76 Ca 0.00 -3.53 0.09 0.00 -0.03 0.00 0.00 56.01 52.54 2gfu n LEU 76 Cb 0.00 -1.35 0.44 0.00 -2.33 0.00 0.00 43.42 40.18 2gfu n LEU 76 CO 0.00 0.76 0.79 0.03 -1.33 0.00 0.00 177.39 177.63 2gfu h ARG 77 N 6.43 0.00 -0.02 3.23 3.08 -1.95 -2.46 114.38 122.69 2gfu h ARG 77 Ca 0.57 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.62 2gfu h ARG 77 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2gfu h ARG 77 CO 1.79 0.24 -0.01 -2.13 -1.07 0.00 0.00 179.97 178.80 2gfu n ARG 78 N -3.41 1.80 0.00 0.04 3.00 -1.26 -5.03 116.66 111.80 2gfu n ARG 78 Ca 0.00 -1.18 0.00 0.00 -0.00 0.00 0.00 57.85 56.67 2gfu n ARG 78 Cb 0.44 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 31.42 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 0.43 0.00 -0.50 6.15 2.88 -0.93 -2.19 113.62 119.45 2gfu n SER 79 Ca 0.18 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.76 2gfu n SER 79 Cb 0.41 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.00 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 0.00 1.08 -4.32 2.46 0.24 -1.26 -4.87 118.33 111.66 2gfu n VAL 80 Ca 0.00 -1.06 -0.35 0.00 -2.04 0.00 0.00 64.34 60.89 2gfu n VAL 80 Cb 0.00 0.45 -0.09 0.00 -1.47 0.00 0.00 33.84 32.73 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 -1.12 3.36 -0.00 2.33 0.00 -0.93 -5.08 121.76 120.31 2gfu s ALA 81 Ca 0.19 -0.79 -0.00 0.00 0.00 0.00 0.00 51.96 51.36 2gfu s ALA 81 Cb 0.11 -1.54 -0.00 0.00 0.00 0.00 0.00 23.12 21.69 2gfu s ALA 81 CO 0.12 0.59 0.02 -1.00 0.00 0.00 0.00 175.76 175.49 2gfu h PRO 82 N 5.13 -0.00 0.00 0.00 0.13 -1.95 -3.45 132.00 131.86 2gfu h PRO 82 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2gfu h PRO 82 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2gfu h PRO 82 CO 0.55 -0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.32 2gfu n ALA 83 N -2.03 1.84 -2.92 -0.56 0.00 -1.26 -5.05 120.51 110.54 2gfu n ALA 83 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 2gfu n ALA 83 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 -2.00 3.23 -0.75 0.00 0.00 -1.26 -5.02 121.76 115.95 2gfu s ALA 84 Ca 0.00 -1.63 -0.05 0.00 0.00 0.00 0.00 51.96 50.29 2gfu s ALA 84 Cb 0.00 -2.46 0.06 0.00 0.00 0.00 0.00 23.12 20.72 2gfu s ALA 84 CO 0.00 -1.23 2.69 -0.35 0.00 0.00 0.00 175.76 176.87 2gfu n PRO 85 N 4.96 3.16 -3.90 0.00 -0.04 -1.26 -4.91 135.00 132.99 2gfu n PRO 85 Ca -0.13 -2.65 -0.35 0.00 -0.04 0.00 0.00 63.50 60.33 2gfu n PRO 85 Cb 0.47 -2.31 -0.10 0.00 -0.04 0.00 0.00 33.50 31.51 2gfu n PRO 85 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2gfu s THR 86 N -1.61 4.84 -0.79 0.52 2.01 -1.26 -5.03 115.64 114.32 2gfu s THR 86 Ca 0.58 -0.01 -0.04 0.00 0.31 0.00 0.00 61.69 62.54 2gfu s THR 86 Cb 0.31 -3.21 0.16 0.00 0.01 0.00 0.00 72.50 69.77 2gfu s THR 86 CO -0.16 0.42 2.45 -1.20 -0.69 0.00 0.00 174.62 175.44 2gfu n SER 87 N 3.86 7.13 -3.98 3.53 7.64 -1.26 -4.85 113.62 125.69 2gfu n SER 87 Ca -0.16 -3.36 -0.43 0.00 1.01 0.00 0.00 58.87 55.93 2gfu n SER 87 Cb 0.52 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 2gfu n SER 87 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2gfu n SER 88 N 0.71 5.08 -4.00 6.43 3.41 -1.26 -4.93 113.62 119.06 2gfu n SER 88 Ca 0.53 -3.08 -0.32 0.00 -0.26 0.00 0.00 58.87 55.74 2gfu n SER 88 Cb 0.39 -1.50 -0.13 0.00 -0.26 0.00 0.00 64.21 62.71 2gfu n SER 88 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2gfu s ASP 89 N 1.31 4.65 -0.10 4.04 1.01 -1.26 -3.93 116.67 122.39 2gfu s ASP 89 Ca 0.40 -2.75 0.02 0.00 0.71 0.00 0.00 52.55 50.94 2gfu s ASP 89 Cb 0.07 -1.69 0.01 0.00 1.01 0.00 0.00 42.92 42.32 2gfu s ASP 89 CO 0.00 -0.31 -0.16 -0.36 0.21 0.00 0.00 175.17 174.55 2gfu s PHE 90 N 0.09 1.95 0.38 4.23 0.08 -1.26 -5.13 117.98 118.32 2gfu s PHE 90 Ca 0.15 -0.86 0.08 0.00 0.12 0.00 0.00 56.93 56.42 2gfu s PHE 90 Cb -0.23 -1.39 -0.04 0.00 -0.57 0.00 0.00 43.02 40.79 2gfu s PHE 90 CO -0.03 -0.42 0.20 -1.54 -0.10 0.00 0.00 175.22 173.33 2gfu s SER 91 N 0.80 4.64 0.72 1.36 1.04 -1.26 -5.03 113.70 115.97 2gfu s SER 91 Ca -0.11 -0.89 -0.16 0.00 0.48 0.00 0.00 55.95 55.27 2gfu s SER 91 Cb -0.16 -0.60 0.02 0.00 0.10 0.00 0.00 66.02 65.38 2gfu s SER 91 CO 0.01 -0.46 1.07 -2.65 0.98 0.00 0.00 173.24 172.19 2gfu n PRO 92 N -1.25 0.56 0.00 4.02 -0.02 -1.26 -3.49 135.00 133.55 2gfu n PRO 92 Ca -0.01 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2gfu n PRO 92 Cb 0.63 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 0.97 3.08 3.81 -1.23 0.00 -1.19 -5.02 105.19 105.60 2gfu n GLY 93 Ca 0.14 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 5.23 -0.05 1.61 1.01 -1.23 -4.88 116.67 118.37 2gfu s ASP 94 Ca 0.00 1.68 -0.01 0.00 0.71 0.00 0.00 52.55 54.92 2gfu s ASP 94 Cb 0.00 -2.50 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 2gfu s ASP 94 CO 0.00 -1.55 0.04 -0.76 0.21 0.00 0.00 175.17 173.12 2gfu s LEU 95 N -5.54 3.76 0.02 1.23 1.02 -1.26 -0.89 118.68 117.02 2gfu s LEU 95 Ca 0.59 0.15 -0.04 0.00 0.02 0.00 0.00 54.13 54.85 2gfu s LEU 95 Cb -0.15 -2.03 -0.01 0.00 0.02 0.00 0.00 46.19 44.03 2gfu s LEU 95 CO 0.54 0.33 0.07 0.68 0.02 0.00 0.00 176.35 177.99 2gfu s VAL 96 N -1.03 0.11 -0.27 -1.59 -7.23 -0.72 -1.73 120.40 107.94 2gfu s VAL 96 Ca 0.18 -0.92 -0.11 0.00 -1.81 0.00 0.00 61.98 59.32 2gfu s VAL 96 Cb -0.12 -0.55 -0.05 0.00 0.56 0.00 0.00 36.38 36.22 2gfu s VAL 96 CO 0.08 -0.50 0.19 0.26 -0.31 0.00 0.00 175.10 174.81 2gfu s TRP 97 N -1.85 3.24 0.11 2.82 0.52 0.15 -0.95 118.94 122.98 2gfu s TRP 97 Ca -0.12 0.15 0.02 0.00 0.02 0.00 0.00 56.10 56.17 2gfu s TRP 97 Cb -0.06 -2.36 -0.04 0.00 -1.15 0.00 0.00 33.47 29.86 2gfu s TRP 97 CO -0.01 -0.11 0.19 0.00 0.02 0.00 0.00 176.95 177.04 2gfu s ALA 98 N 1.61 3.83 -0.10 0.98 0.00 0.27 0.04 121.76 128.39 2gfu s ALA 98 Ca 0.07 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.06 2gfu s ALA 98 Cb -0.15 -1.65 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 2gfu s ALA 98 CO 0.10 0.67 -0.19 0.21 0.00 0.00 0.00 175.76 176.55 2gfu s LYS 99 N -2.80 3.05 -0.04 0.00 2.47 -0.68 -1.02 119.74 120.73 2gfu s LYS 99 Ca 0.33 -0.78 0.06 0.00 -1.56 0.00 0.00 55.97 54.02 2gfu s LYS 99 Cb -0.12 -2.42 -0.02 0.00 -1.46 0.00 0.00 37.83 33.81 2gfu s LYS 99 CO 0.26 0.27 -0.23 1.41 0.16 0.00 0.00 175.35 177.23 2gfu s MET 100 N 0.15 2.36 -0.50 4.03 -2.45 -1.26 -4.74 119.30 116.89 2gfu s MET 100 Ca -0.10 -0.86 -0.27 0.00 -1.25 0.00 0.00 55.69 53.21 2gfu s MET 100 Cb -0.16 -2.17 -0.05 0.00 1.25 0.00 0.00 34.83 33.71 2gfu s MET 100 CO 0.06 0.51 2.14 -2.00 1.05 0.00 0.00 175.02 176.79 2gfu s GLU 101 N -0.48 2.47 0.00 4.11 2.12 -1.26 -1.48 118.70 124.18 2gfu s GLU 101 Ca 0.06 1.17 0.00 0.00 0.36 0.00 0.00 54.97 56.56 2gfu s GLU 101 Cb -0.11 -4.46 0.00 0.00 0.26 0.00 0.00 34.13 29.81 2gfu s GLU 101 CO 0.01 -2.87 0.00 0.41 -0.54 0.00 0.00 175.26 172.27 2gfu n GLY 102 N 5.83 0.93 3.76 -1.50 0.00 -1.26 -5.12 105.19 107.82 2gfu n GLY 102 Ca 0.29 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.00 2.77 0.88 1.61 1.51 -0.55 -5.15 117.35 116.42 2gfu s TYR 103 Ca 0.00 -0.33 -0.12 0.00 -1.01 0.00 0.00 57.07 55.61 2gfu s TYR 103 Cb 0.00 -1.62 0.12 0.00 -0.11 0.00 0.00 41.96 40.35 2gfu s TYR 103 CO 0.00 0.34 1.10 -1.25 -1.11 0.00 0.00 175.55 174.63 2gfu s PRO 104 N -3.86 1.40 0.05 -1.71 0.04 -1.26 -4.64 135.00 125.02 2gfu s PRO 104 Ca 0.37 0.66 -0.32 0.00 0.04 0.00 0.00 61.00 61.75 2gfu s PRO 104 Cb -0.04 -1.84 -0.11 0.00 0.04 0.00 0.00 34.50 32.55 2gfu s PRO 104 CO 0.23 -2.10 1.85 0.91 0.04 0.00 0.00 177.00 177.93 2gfu n TRP 105 N -3.76 2.47 -3.78 0.56 7.02 -1.26 -4.52 117.44 114.17 2gfu n TRP 105 Ca 0.07 -0.10 -0.25 0.00 -1.02 0.00 0.00 57.50 56.19 2gfu n TRP 105 Cb 0.56 -2.70 -0.17 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 3.24 0.95 -0.28 -5.99 0.23 -0.19 -4.98 118.94 111.92 2gfu s TRP 106 Ca 0.86 -0.53 -0.32 0.00 -2.03 0.00 0.00 56.10 54.08 2gfu s TRP 106 Cb -0.56 -0.96 -0.09 0.00 0.03 0.00 0.00 33.47 31.89 2gfu s TRP 106 CO 0.42 -0.47 2.19 -2.30 0.96 0.00 0.00 176.95 177.76 2gfu n PRO 107 N 5.07 1.48 -4.42 4.98 -0.02 -1.26 -0.56 135.00 140.27 2gfu n PRO 107 Ca -0.09 0.41 -0.21 0.00 -2.02 0.00 0.00 63.50 61.59 2gfu n PRO 107 Cb 0.49 -2.79 -0.10 0.00 -0.02 0.00 0.00 33.50 31.07 2gfu n PRO 107 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2gfu s SER 108 N 7.63 2.75 -0.06 2.55 1.04 -0.12 -2.62 113.70 124.87 2gfu s SER 108 Ca 1.05 -1.16 0.04 0.00 0.48 0.00 0.00 55.95 56.36 2gfu s SER 108 Cb -0.63 -0.16 -0.02 0.00 0.10 0.00 0.00 66.02 65.30 2gfu s SER 108 CO 0.43 -0.31 -0.17 -0.22 0.98 0.00 0.00 173.24 173.95 2gfu s LEU 109 N -3.43 2.54 -0.26 2.42 2.96 0.01 -1.75 118.68 121.17 2gfu s LEU 109 Ca 0.29 -0.29 -0.28 0.00 -0.22 0.00 0.00 54.13 53.62 2gfu s LEU 109 Cb 0.03 -1.50 0.01 0.00 0.50 0.00 0.00 46.19 45.23 2gfu s LEU 109 CO 0.11 0.31 1.01 -0.69 -1.32 0.00 0.00 176.35 175.77 2gfu s VAL 110 N -0.52 4.66 0.19 1.68 1.01 -0.07 -0.65 120.40 126.70 2gfu s VAL 110 Ca 0.07 1.85 0.10 0.00 0.00 0.00 0.00 61.98 63.99 2gfu s VAL 110 Cb -0.11 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 2gfu s VAL 110 CO 0.01 -0.25 -0.13 -0.47 0.00 0.00 0.00 175.10 174.27 2gfu s TYR 111 N 3.26 2.55 -0.29 5.22 5.04 -0.61 -3.17 117.35 129.35 2gfu s TYR 111 Ca 0.43 -0.26 -0.04 0.00 -2.44 0.00 0.00 57.07 54.76 2gfu s TYR 111 Cb -0.14 -1.24 0.02 0.00 0.35 0.00 0.00 41.96 40.95 2gfu s TYR 111 CO 0.09 0.52 0.02 -0.80 -1.34 0.00 0.00 175.55 174.04 2gfu s ASN 112 N -2.82 4.84 0.81 4.32 -0.87 -1.26 -4.57 114.94 115.39 2gfu s ASN 112 Ca 0.24 -0.89 -0.11 0.00 -1.57 0.00 0.00 52.86 50.53 2gfu s ASN 112 Cb -0.08 -1.78 0.08 0.00 -0.02 0.00 0.00 41.25 39.44 2gfu s ASN 112 CO 0.14 -0.20 1.09 -1.00 -2.57 0.00 0.00 177.10 174.57 2gfu s HIS 113 N 1.39 2.46 -0.77 2.20 3.76 -1.26 -4.86 115.29 118.22 2gfu s HIS 113 Ca 0.00 1.52 0.00 0.00 -0.15 0.00 0.00 55.06 56.43 2gfu s HIS 113 Cb -0.18 -3.09 0.00 0.00 1.11 0.00 0.00 32.58 30.43 2gfu s HIS 113 CO -0.00 -1.99 0.18 -2.30 -0.85 0.00 0.00 174.74 169.78 2gfu n PRO 114 N -3.65 0.00 -1.26 8.40 -0.02 -1.26 -1.24 135.00 135.98 2gfu n PRO 114 Ca 0.09 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.28 2gfu n PRO 114 Cb 0.53 -1.47 0.13 0.00 -0.02 0.00 0.00 33.50 32.67 2gfu n PRO 114 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2gfu n PHE 115 N -0.66 3.09 -1.73 6.00 3.72 -1.26 -5.05 117.46 121.57 2gfu n PHE 115 Ca 0.00 -2.40 -0.42 0.00 -0.05 0.00 0.00 57.45 54.58 2gfu n PHE 115 Cb 0.00 -1.18 -0.03 0.00 -0.94 0.00 0.00 39.48 37.33 2gfu n PHE 115 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2gfu s ASP 116 N -1.50 6.48 0.00 4.37 1.11 -0.37 -1.64 116.67 125.12 2gfu s ASP 116 Ca 0.60 2.62 0.00 0.00 0.18 0.00 0.00 52.55 55.94 2gfu s ASP 116 Cb 0.48 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.94 2gfu s ASP 116 CO 0.05 -1.02 0.00 0.61 1.18 0.00 0.00 175.17 175.98 2gfu n GLY 117 N 4.43 2.81 3.21 0.21 0.00 -1.26 -5.06 105.19 109.53 2gfu n GLY 117 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 2gfu n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gfu s THR 118 N -2.48 2.70 0.00 2.61 -4.23 -0.65 -4.98 115.64 108.61 2gfu s THR 118 Ca 0.00 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 2gfu s THR 118 Cb 0.00 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.62 2gfu s THR 118 CO 0.00 0.44 0.00 2.22 -0.54 0.00 0.00 174.62 176.74 2gfu n PHE 119 N 4.69 0.00 -4.17 3.99 -1.74 -1.26 -4.79 117.46 114.19 2gfu n PHE 119 Ca -0.19 0.00 -0.28 0.00 -0.56 0.00 0.00 57.45 56.42 2gfu n PHE 119 Cb 0.50 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.42 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 3.89 -0.04 1.97 -4.36 -1.26 -3.69 121.20 117.71 2gfu s ILE 120 Ca 0.00 -1.25 -0.02 0.00 -0.26 0.00 0.00 60.65 59.11 2gfu s ILE 120 Cb 0.00 -2.92 0.02 0.00 1.25 0.00 0.00 42.46 40.80 2gfu s ILE 120 CO 0.00 -0.04 0.09 -0.60 0.24 0.00 0.00 174.94 174.63 2gfu s ARG 121 N -2.76 0.08 -0.16 0.37 3.52 -0.49 -5.02 118.95 114.49 2gfu s ARG 121 Ca 0.27 0.18 -0.08 0.00 -0.13 0.00 0.00 55.73 55.97 2gfu s ARG 121 Cb -0.10 -0.04 0.06 0.00 -1.56 0.00 0.00 34.95 33.31 2gfu s ARG 121 CO 0.19 -0.07 0.38 -2.00 -0.81 0.00 0.00 175.30 172.99 2gfu s GLU 122 N 0.43 0.34 -0.48 5.12 2.12 -1.26 -1.76 118.70 123.20 2gfu s GLU 122 Ca -0.03 0.80 0.03 0.00 0.36 0.00 0.00 54.97 56.13 2gfu s GLU 122 Cb -0.05 0.03 0.13 0.00 0.26 0.00 0.00 34.13 34.50 2gfu s GLU 122 CO -0.02 -0.19 0.23 0.21 -0.54 0.00 0.00 175.26 174.95 2gfu s LYS 123 N 1.70 1.94 0.00 4.30 2.20 -1.17 -5.03 119.74 123.68 2gfu s LYS 123 Ca -0.07 -2.36 0.00 0.00 -0.36 0.00 0.00 55.97 53.18 2gfu s LYS 123 Cb -0.10 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 2gfu s LYS 123 CO -0.12 -1.07 0.00 0.41 -0.36 0.00 0.00 175.35 174.21 2gfu n GLY 124 N 3.56 0.00 0.60 5.54 0.00 -1.26 -3.34 105.19 110.29 2gfu n GLY 124 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.08 2gfu n GLY 124 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2gfu n LYS 125 N 0.00 0.16 -3.58 1.61 2.85 -1.26 -5.05 118.16 112.89 2gfu n LYS 125 Ca 0.00 -1.34 -0.14 0.00 -1.05 0.00 0.00 58.31 55.78 2gfu n LYS 125 Cb 0.00 -0.55 -0.06 0.00 -0.65 0.00 0.00 35.03 33.77 2gfu n LYS 125 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2gfu s SER 126 N -1.37 -0.57 -0.02 -5.58 0.01 -1.21 -4.79 113.70 100.17 2gfu s SER 126 Ca 0.09 0.81 0.04 0.00 1.31 0.00 0.00 55.95 58.20 2gfu s SER 126 Cb 0.09 0.72 -0.01 0.00 0.21 0.00 0.00 66.02 67.04 2gfu s SER 126 CO -0.02 -0.40 -0.14 0.54 0.41 0.00 0.00 173.24 173.63 2gfu s VAL 127 N -0.63 1.12 -0.10 3.43 0.11 -1.26 -3.07 120.40 120.01 2gfu s VAL 127 Ca -0.04 -0.58 0.04 0.00 -2.93 0.00 0.00 61.98 58.47 2gfu s VAL 127 Cb -0.02 -0.96 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 2gfu s VAL 127 CO 0.04 0.33 -0.23 -0.13 -3.33 0.00 0.00 175.10 171.77 2gfu s ARG 128 N -0.11 2.96 0.02 1.54 0.52 -0.73 -0.39 118.95 122.77 2gfu s ARG 128 Ca 0.01 -0.85 -0.01 0.00 -0.52 0.00 0.00 55.73 54.36 2gfu s ARG 128 Cb -0.08 -2.24 -0.02 0.00 0.52 0.00 0.00 34.95 33.13 2gfu s ARG 128 CO 0.00 0.17 -0.02 0.14 0.02 0.00 0.00 175.30 175.62 2gfu s VAL 129 N 0.35 0.12 -0.02 3.52 -7.23 -1.22 -1.39 120.40 114.54 2gfu s VAL 129 Ca -0.19 -0.98 -0.28 0.00 -1.81 0.00 0.00 61.98 58.72 2gfu s VAL 129 Cb -0.18 -0.39 -0.03 0.00 0.56 0.00 0.00 36.38 36.34 2gfu s VAL 129 CO 0.09 -0.54 0.91 -1.38 -0.31 0.00 0.00 175.10 173.86 2gfu s HIS 130 N -1.70 3.64 0.04 2.82 -3.43 -1.24 -3.78 115.29 111.64 2gfu s HIS 130 Ca -0.14 1.59 0.01 0.00 -0.80 0.00 0.00 55.06 55.72 2gfu s HIS 130 Cb -0.08 -3.04 -0.02 0.00 -1.43 0.00 0.00 32.58 28.01 2gfu s HIS 130 CO -0.02 0.02 -0.06 0.14 -2.00 0.00 0.00 174.74 172.82 2gfu s VAL 131 N 0.95 0.37 0.08 -5.38 -7.23 -1.24 -1.57 120.40 106.36 2gfu s VAL 131 Ca 0.48 -1.11 0.06 0.00 -1.81 0.00 0.00 61.98 59.60 2gfu s VAL 131 Cb -0.20 -0.59 -0.04 0.00 0.56 0.00 0.00 36.38 36.11 2gfu s VAL 131 CO 0.25 -0.49 -0.08 0.00 -0.31 0.00 0.00 175.10 174.48 2gfu s GLN 132 N -1.80 2.30 -0.20 4.82 -2.07 0.17 -3.69 119.66 119.19 2gfu s GLN 132 Ca -0.10 -0.92 -0.06 0.00 -1.82 0.00 0.00 55.36 52.46 2gfu s GLN 132 Cb -0.08 -2.39 -0.03 0.00 -1.09 0.00 0.00 33.01 29.42 2gfu s GLN 132 CO -0.01 0.54 0.03 -0.06 -1.32 0.00 0.00 175.29 174.47 2gfu s PHE 133 N -1.17 3.10 -1.20 9.60 0.40 0.16 -0.81 117.98 128.05 2gfu s PHE 133 Ca 0.21 -0.30 -0.19 0.00 -0.60 0.00 0.00 56.93 56.05 2gfu s PHE 133 Cb -0.11 -2.11 -0.02 0.00 0.51 0.00 0.00 43.02 41.29 2gfu s PHE 133 CO 0.13 -0.15 1.93 1.19 0.70 0.00 0.00 175.22 179.01 2gfu n PHE 134 N 4.18 3.38 0.00 0.36 3.72 -1.08 -2.60 117.46 125.42 2gfu n PHE 134 Ca -0.17 -2.29 0.00 0.00 -0.05 0.00 0.00 57.45 54.94 2gfu n PHE 134 Cb 0.52 -2.44 0.00 0.00 -0.94 0.00 0.00 39.48 36.61 2gfu n PHE 134 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2gfu n ASP 135 N 9.44 0.00 -0.05 4.37 -0.08 -1.26 -4.70 116.55 124.28 2gfu n ASP 135 Ca 0.49 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.70 2gfu n ASP 135 Cb 0.44 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.87 2gfu n ASP 135 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2gfu n ASP 136 N 0.00 1.63 0.02 1.67 2.03 -1.26 -4.93 116.55 115.71 2gfu n ASP 136 Ca 0.00 0.26 -0.10 0.00 0.52 0.00 0.00 54.79 55.47 2gfu n ASP 136 Cb 0.00 -0.60 -0.13 0.00 -0.72 0.00 0.00 41.12 39.67 2gfu n ASP 136 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2gfu h SER 137 N -0.66 0.08 -2.84 1.67 4.64 -1.98 -3.48 113.55 110.99 2gfu h SER 137 Ca -0.04 -0.13 -0.12 0.00 -0.47 0.00 0.00 61.79 61.03 2gfu h SER 137 Cb 0.71 -0.03 0.04 0.00 -0.31 0.00 0.00 62.40 62.82 2gfu h SER 137 CO -0.02 1.11 0.09 -0.81 -0.87 0.00 0.00 176.83 176.33 2gfu n PRO 138 N -3.23 -0.16 -3.68 4.77 -0.04 -1.26 -5.14 135.00 126.26 2gfu n PRO 138 Ca -0.12 -0.60 -0.26 0.00 -0.04 0.00 0.00 63.50 62.47 2gfu n PRO 138 Cb 1.02 -0.32 -0.03 0.00 -0.04 0.00 0.00 33.50 34.12 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 -1.51 5.20 0.18 0.52 2.01 -1.07 -4.93 115.64 116.03 2gfu s THR 139 Ca 0.20 -0.43 -0.24 0.00 0.31 0.00 0.00 61.69 61.53 2gfu s THR 139 Cb -0.01 -3.76 0.06 0.00 0.01 0.00 0.00 72.50 68.81 2gfu s THR 139 CO 0.14 -0.23 0.95 -0.60 -0.69 0.00 0.00 174.62 174.18 2gfu s ARG 140 N -3.49 1.31 0.00 4.92 3.52 -1.26 -0.66 118.95 123.28 2gfu s ARG 140 Ca 0.38 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 55.23 2gfu s ARG 140 Cb -0.11 0.43 0.00 0.00 -1.56 0.00 0.00 34.95 33.71 2gfu s ARG 140 CO 0.30 -0.60 0.00 0.41 -0.81 0.00 0.00 175.30 174.60 2gfu n GLY 141 N -0.51 -1.25 3.38 8.12 0.00 -1.24 -4.97 105.19 108.72 2gfu n GLY 141 Ca -0.06 -0.85 -0.44 0.00 0.00 0.00 0.00 46.02 44.67 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 -3.00 2.97 0.84 1.61 0.52 -1.26 -3.73 118.94 116.89 2gfu s TRP 142 Ca 0.00 -0.93 -0.10 0.00 0.02 0.00 0.00 56.10 55.09 2gfu s TRP 142 Cb 0.00 -4.05 0.15 0.00 -1.15 0.00 0.00 33.47 28.42 2gfu s TRP 142 CO 0.00 -1.34 1.17 0.14 0.02 0.00 0.00 176.95 176.94 2gfu s VAL 143 N 2.83 2.08 -0.24 4.03 -7.23 -1.25 -4.97 120.40 115.65 2gfu s VAL 143 Ca 0.13 -0.22 -0.17 0.00 -1.81 0.00 0.00 61.98 59.90 2gfu s VAL 143 Cb -0.23 -2.86 -0.03 0.00 0.56 0.00 0.00 36.38 33.82 2gfu s VAL 143 CO 0.06 0.00 0.48 -0.44 -0.31 0.00 0.00 175.10 174.89 2gfu s SER 144 N -4.78 6.44 0.05 4.85 0.01 -1.26 -3.43 113.70 115.58 2gfu s SER 144 Ca 0.69 0.52 0.24 0.00 1.31 0.00 0.00 55.95 58.72 2gfu s SER 144 Cb -0.06 -2.27 0.98 0.00 0.21 0.00 0.00 66.02 64.89 2gfu s SER 144 CO 0.49 -0.21 1.76 2.29 0.41 0.00 0.00 173.24 177.97 2gfu n LYS 145 N 5.17 0.05 0.25 12.44 2.85 0.48 -2.24 118.16 137.17 2gfu n LYS 145 Ca -0.05 0.13 0.17 0.00 -1.05 0.00 0.00 58.31 57.51 2gfu n LYS 145 Cb 0.50 -1.57 0.70 0.00 -0.65 0.00 0.00 35.03 34.01 2gfu n LYS 145 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 177.40 177.42 2gfu h ARG 146 N 0.00 0.00 -0.04 -1.58 0.11 -1.68 -2.84 114.38 108.35 2gfu h ARG 146 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2gfu h ARG 146 Cb 0.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.53 2gfu h ARG 146 CO 0.00 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.35 2gfu n LEU 147 N -2.91 1.70 -4.96 0.08 4.77 -0.95 -4.82 117.00 109.93 2gfu n LEU 147 Ca 0.00 -0.59 -0.23 0.00 -0.03 0.00 0.00 56.01 55.17 2gfu n LEU 147 Cb 0.26 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 2gfu n LEU 147 CO 0.25 0.30 0.01 -0.76 -1.33 0.00 0.00 177.39 175.85 2gfu s LEU 148 N -1.93 4.25 0.27 2.23 1.43 -1.07 -1.69 118.68 122.15 2gfu s LEU 148 Ca 0.36 0.19 0.11 0.00 -1.03 0.00 0.00 54.13 53.77 2gfu s LEU 148 Cb 0.20 -2.99 -0.05 0.00 0.03 0.00 0.00 46.19 43.38 2gfu s LEU 148 CO 0.32 -0.11 -0.17 -0.54 0.23 0.00 0.00 176.35 176.09 2gfu s LYS 149 N -3.92 1.78 0.59 1.70 3.01 0.11 -4.83 119.74 118.17 2gfu s LYS 149 Ca 0.36 -1.67 -0.16 0.00 -1.01 0.00 0.00 55.97 53.49 2gfu s LYS 149 Cb -0.10 -1.86 -0.04 0.00 -1.01 0.00 0.00 37.83 34.83 2gfu s LYS 149 CO 0.31 0.35 1.05 -1.25 0.51 0.00 0.00 175.35 176.32 2gfu s PRO 150 N -3.43 3.36 0.00 -1.68 0.04 -1.26 -0.67 135.00 131.35 2gfu s PRO 150 Ca 0.29 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.53 2gfu s PRO 150 Cb -0.06 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2gfu s PRO 150 CO 0.15 -0.78 0.00 2.48 0.04 0.00 0.00 177.00 178.89 2gfu n TYR 151 N -1.99 0.00 0.00 0.56 0.18 -0.71 -4.53 117.16 110.68 2gfu n TYR 151 Ca 0.09 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.87 2gfu n TYR 151 Cb 0.53 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.49 2gfu n TYR 151 CO 0.00 0.00 0.00 -2.37 -2.08 0.00 0.00 176.86 172.41 2gfu n THR 152 N 0.00 0.00 -4.46 -3.48 5.66 -1.26 -4.80 114.28 105.94 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 0.99 0.38 1.09 0.00 -1.26 -4.25 105.19 102.14 2gfu n GLY 153 Ca 0.00 -0.77 0.19 0.00 0.00 0.00 0.00 46.02 45.45 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 9.02 0.00 0.47 1.61 0.02 -1.88 -1.96 113.55 120.83 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 -0.13 2.29 -1.14 0.00 0.00 176.83 177.85 2gfu n LYS 155 N -3.60 0.51 -3.01 3.45 2.85 -1.26 -4.59 118.16 112.51 2gfu n LYS 155 Ca 0.06 -0.17 -0.35 0.00 -1.05 0.00 0.00 58.31 56.80 2gfu n LYS 155 Cb 0.58 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.40 2gfu n LYS 155 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2gfu s SER 156 N -2.61 7.03 0.50 -5.58 0.01 -0.74 -5.00 113.70 107.32 2gfu s SER 156 Ca 0.25 1.50 0.21 0.00 1.31 0.00 0.00 55.95 59.22 2gfu s SER 156 Cb 0.20 -2.46 1.29 0.00 0.21 0.00 0.00 66.02 65.26 2gfu s SER 156 CO 0.51 -0.09 2.06 0.50 0.41 0.00 0.00 173.24 176.63 2gfu h LYS 157 N 2.90 0.00 0.00 12.44 1.63 -1.90 -0.37 116.57 131.28 2gfu h LYS 157 Ca -0.48 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.28 2gfu h LYS 157 Cb 1.19 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.81 2gfu h LYS 157 CO 0.65 0.13 -0.22 0.93 -3.45 0.00 0.00 179.45 177.49 2gfu h GLU 158 N 0.00 0.00 -0.08 1.90 5.08 -1.92 -3.18 114.58 116.38 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 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2gfu h GLU 158 CO 0.02 0.22 0.00 0.00 -1.00 0.00 0.00 179.01 178.24 2gfu n ALA 159 N -2.22 2.48 -4.10 3.43 0.00 -0.16 -2.74 120.51 117.20 2gfu n ALA 159 Ca 0.00 -0.67 -0.17 0.00 0.00 0.00 0.00 53.44 52.60 2gfu n ALA 159 Cb 0.42 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.95 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 1.07 1.20 -1.99 0.00 -0.00 -1.13 -4.83 117.38 111.71 2gfu n GLN 160 Ca 0.16 -1.96 -0.42 0.00 -0.00 0.00 0.00 57.00 54.77 2gfu n GLN 160 Cb 0.54 0.39 -0.03 0.00 -0.00 0.00 0.00 30.24 31.14 2gfu n GLN 160 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 2gfu s LYS 161 N -3.11 4.20 0.00 2.61 2.20 -1.26 -1.03 119.74 123.35 2gfu s LYS 161 Ca 0.08 2.24 0.00 0.00 -0.36 0.00 0.00 55.97 57.92 2gfu s LYS 161 Cb -0.01 -3.77 0.00 0.00 -1.51 0.00 0.00 37.83 32.55 2gfu s LYS 161 CO 0.05 -0.76 0.00 0.41 -0.36 0.00 0.00 175.35 174.68 2gfu n GLY 162 N 4.02 0.40 3.75 5.54 0.00 -1.26 -5.06 105.19 112.58 2gfu n GLY 162 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.08 3.09 0.42 -0.02 0.00 -0.20 -4.94 107.32 103.59 2gfu s GLY 163 Ca 0.00 0.73 0.28 0.00 0.00 0.00 0.00 44.72 45.74 2gfu s GLY 163 CO 0.00 1.33 1.87 0.45 0.00 0.00 0.00 173.10 176.75 2gfu h HIS 164 N 4.06 0.00 -0.01 1.90 3.86 -1.79 -2.39 115.15 120.77 2gfu h HIS 164 Ca -0.46 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 2gfu h HIS 164 Cb 1.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.67 2gfu h HIS 164 CO 0.60 0.00 -0.00 1.19 0.86 0.00 0.00 177.93 180.58 2gfu n PHE 165 N -2.51 0.00 -2.72 2.45 3.72 -1.11 -5.04 117.46 112.26 2gfu n PHE 165 Ca -0.02 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.00 2gfu n PHE 165 Cb 0.07 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.55 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 -0.92 3.78 0.04 1.38 5.04 -0.90 -4.76 117.35 121.01 2gfu s TYR 166 Ca 0.13 1.82 -0.29 0.00 -2.44 0.00 0.00 57.07 56.30 2gfu s TYR 166 Cb 0.09 -3.00 0.10 0.00 0.35 0.00 0.00 41.96 39.51 2gfu s TYR 166 CO 0.14 0.18 1.19 -1.12 -1.34 0.00 0.00 175.55 174.60 2gfu s SER 167 N -1.35 -0.09 -0.28 4.32 0.01 -1.26 -5.03 113.70 110.02 2gfu s SER 167 Ca 0.46 -0.23 -0.03 0.00 1.31 0.00 0.00 55.95 57.46 2gfu s SER 167 Cb -0.23 0.26 0.09 0.00 0.21 0.00 0.00 66.02 66.35 2gfu s SER 167 CO 0.29 -0.49 0.11 0.00 0.41 0.00 0.00 173.24 173.57 2gfu s ALA 168 N -2.66 0.79 -0.06 1.44 0.00 -1.26 -4.94 121.76 115.08 2gfu s ALA 168 Ca 0.14 -1.09 0.06 0.00 0.00 0.00 0.00 51.96 51.07 2gfu s ALA 168 Cb 0.03 -1.38 -0.01 0.00 0.00 0.00 0.00 23.12 21.75 2gfu s ALA 168 CO -0.02 -1.58 -0.25 0.21 0.00 0.00 0.00 175.76 174.13 2gfu s LYS 169 N 2.00 2.56 0.54 0.00 2.20 -1.26 -5.06 119.74 120.73 2gfu s LYS 169 Ca 0.08 -0.90 0.25 0.00 -0.36 0.00 0.00 55.97 55.04 2gfu s LYS 169 Cb -0.16 -2.17 1.54 0.00 -1.51 0.00 0.00 37.83 35.53 2gfu s LYS 169 CO -0.30 0.38 2.16 -1.00 -0.36 0.00 0.00 175.35 176.23 2gfu h PRO 170 N 6.07 0.00 -0.49 4.03 0.13 -1.99 -2.19 132.00 137.57 2gfu h PRO 170 Ca -0.32 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.76 2gfu h PRO 170 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2gfu h PRO 170 CO 0.47 0.06 0.09 0.93 -0.23 0.00 0.00 178.00 179.31 2gfu h GLU 171 N 0.00 0.75 -0.22 0.86 4.39 -1.94 0.40 114.58 118.82 2gfu h GLU 171 Ca -0.00 -0.16 -0.13 0.00 0.34 0.00 0.00 59.36 59.41 2gfu h GLU 171 Cb 0.13 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2gfu h GLU 171 CO 0.01 0.70 -0.37 0.82 -1.16 0.00 0.00 179.01 179.01 2gfu h ILE 172 N 0.72 1.32 -0.32 3.13 2.04 -1.70 -2.32 117.51 120.38 2gfu h ILE 172 Ca 0.16 -1.58 -0.09 0.00 1.00 0.00 0.00 64.86 64.35 2gfu h ILE 172 Cb 0.31 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 2gfu h ILE 172 CO 0.00 0.49 -0.16 -0.07 0.00 0.00 0.00 178.15 178.41 2gfu h LEU 173 N 0.34 0.70 -1.14 1.44 3.38 -1.34 -2.03 115.31 116.65 2gfu h LEU 173 Ca 0.02 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.61 2gfu h LEU 173 Cb 0.96 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 2gfu h LEU 173 CO 0.08 0.96 0.59 -0.09 0.09 0.00 0.00 178.44 180.07 2gfu h ARG 174 N 0.44 1.09 -0.19 1.13 2.43 -0.27 -0.59 114.38 118.42 2gfu h ARG 174 Ca 0.07 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 2gfu h ARG 174 Cb 0.70 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 2gfu h ARG 174 CO 0.05 0.72 -0.40 0.00 -1.51 0.00 0.00 179.97 178.83 2gfu h ALA 175 N 1.48 0.95 -0.27 2.80 0.00 -1.40 0.17 119.26 122.99 2gfu h ALA 175 Ca 0.35 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 2gfu h ALA 175 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2gfu h ALA 175 CO -0.10 0.62 -0.47 0.52 0.00 0.00 0.00 179.25 179.82 2gfu h MET 176 N 0.37 0.70 -0.22 0.00 2.86 -0.56 0.20 114.93 118.28 2gfu h MET 176 Ca 0.03 -0.40 -0.07 0.00 -2.06 0.00 0.00 59.70 57.21 2gfu h MET 176 Cb 0.87 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 2gfu h MET 176 CO 0.07 1.02 -0.12 1.96 1.06 0.00 0.00 176.91 180.90 2gfu h GLN 177 N 0.56 0.47 0.35 1.72 4.20 -0.82 0.91 115.11 122.50 2gfu h GLN 177 Ca 0.03 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 2gfu h GLN 177 Cb 1.02 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.80 2gfu h GLN 177 CO 0.10 0.75 -0.17 -0.09 -0.67 0.00 0.00 178.83 178.75 2gfu h ARG 178 N 0.17 -0.45 -0.56 1.46 9.65 -0.77 -1.89 114.38 121.99 2gfu h ARG 178 Ca 0.05 0.03 0.05 0.00 -1.10 0.00 0.00 59.98 59.01 2gfu h ARG 178 Cb 0.62 0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 29.26 2gfu h ARG 178 CO 0.03 -0.23 0.29 0.00 2.80 0.00 0.00 179.97 182.87 2gfu h ALA 179 N 0.01 0.72 0.00 2.80 0.00 -1.02 -2.58 119.26 119.19 2gfu h ALA 179 Ca -0.05 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2gfu h ALA 179 Cb 0.44 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2gfu h ALA 179 CO 0.08 -0.05 -0.10 0.22 0.00 0.00 0.00 179.25 179.40 2gfu h ASP 180 N 0.55 0.00 -0.03 0.00 3.58 -0.79 0.19 116.42 119.92 2gfu h ASP 180 Ca 0.25 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.54 2gfu h ASP 180 Cb 0.16 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.22 2gfu h ASP 180 CO -0.17 0.10 -0.59 -0.08 -2.88 0.00 0.00 179.24 175.62 2gfu h GLU 181 N 0.00 0.45 0.02 0.28 4.57 -1.08 -3.32 114.58 115.51 2gfu h GLU 181 Ca -0.00 -0.45 -0.27 0.00 -1.18 0.00 0.00 59.36 57.46 2gfu h GLU 181 Cb 0.29 0.12 0.02 0.00 -0.16 0.00 0.00 28.75 29.01 2gfu h GLU 181 CO 0.01 1.09 -1.07 0.00 -1.18 0.00 0.00 179.01 177.86 2gfu h ALA 182 N 0.37 0.12 0.00 2.92 0.00 -1.02 -2.97 119.26 118.68 2gfu h ALA 182 Ca -0.06 -0.71 -0.13 0.00 0.00 0.00 0.00 54.91 54.00 2gfu h ALA 182 Cb 1.27 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2gfu h ALA 182 CO 0.12 0.70 -0.62 1.37 0.00 0.00 0.00 179.25 180.81 2gfu h LEU 183 N 0.36 0.00 0.00 0.00 8.10 -0.84 -3.16 115.31 119.78 2gfu h LEU 183 Ca -0.14 0.00 -0.29 0.00 0.11 0.00 0.00 57.88 57.56 2gfu h LEU 183 Cb 1.73 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 41.90 2gfu h LEU 183 CO 0.21 0.62 -1.69 -1.13 -4.11 0.00 0.00 178.44 172.35 2gfu h ASN 184 N 0.00 0.01 0.00 0.17 -1.24 -1.73 -3.46 115.58 109.33 2gfu h ASN 184 Ca -0.01 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.98 2gfu h ASN 184 Cb 1.39 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.44 2gfu h ASN 184 CO 0.08 1.02 0.00 0.29 -1.29 0.00 0.00 177.43 177.53 2gfu n LYS 185 N -3.07 0.00 -4.16 6.67 5.02 -1.12 -5.09 118.16 116.41 2gfu n LYS 185 Ca -0.17 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.02 2gfu n LYS 185 Cb 1.05 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.96 2gfu n LYS 185 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2gfu s ASP 186 N -0.50 1.10 0.33 4.39 2.15 -1.19 -5.05 116.67 117.90 2gfu s ASP 186 Ca 0.00 -0.99 0.09 0.00 0.43 0.00 0.00 52.55 52.08 2gfu s ASP 186 Cb 0.00 0.10 0.83 0.00 -0.30 0.00 0.00 42.92 43.55 2gfu s ASP 186 CO 0.00 -0.46 1.80 0.11 -0.17 0.00 0.00 175.17 176.44 2gfu h LYS 187 N 3.02 0.66 -0.80 4.34 1.79 -1.91 -2.44 116.57 121.23 2gfu h LYS 187 Ca -0.35 -0.04 0.12 0.00 -2.18 0.00 0.00 60.65 58.20 2gfu h LYS 187 Cb 1.16 -0.15 -0.06 0.00 -1.58 0.00 0.00 32.23 31.61 2gfu h LYS 187 CO 0.64 0.43 0.52 0.97 -1.08 0.00 0.00 179.45 180.94 2gfu h ILE 188 N 0.68 0.88 -0.25 1.86 2.10 -1.96 -0.20 117.51 120.62 2gfu h ILE 188 Ca 0.55 -0.22 -0.09 0.00 1.08 0.00 0.00 64.86 66.18 2gfu h ILE 188 Cb 0.97 0.19 -0.00 0.00 -1.09 0.00 0.00 36.82 36.89 2gfu h ILE 188 CO -0.32 0.12 -0.21 0.11 -1.08 0.00 0.00 178.15 176.77 2gfu h LYS 189 N 0.63 0.59 -0.03 2.19 6.56 -1.76 -2.47 116.57 122.28 2gfu h LYS 189 Ca 0.38 -0.29 -0.17 0.00 -1.06 0.00 0.00 60.65 59.51 2gfu h LYS 189 Cb 0.61 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.29 2gfu h LYS 189 CO -0.15 0.88 -0.64 0.07 -2.06 0.00 0.00 179.45 177.55 2gfu h ARG 190 N 0.30 0.48 0.00 3.15 -0.00 -1.65 -3.37 114.38 113.30 2gfu h ARG 190 Ca 0.04 -0.48 0.00 0.00 -0.00 0.00 0.00 59.98 59.54 2gfu h ARG 190 Cb 0.76 0.13 0.00 0.00 -0.00 0.00 0.00 29.97 30.85 2gfu h ARG 190 CO 0.05 1.12 0.00 1.25 -0.00 0.00 0.00 179.97 182.40 2gfu h LEU 191 N 0.03 0.00 -2.20 0.08 5.85 -1.13 -1.21 115.31 116.72 2gfu h LEU 191 Ca -0.07 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.66 2gfu h LEU 191 Cb 1.33 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.36 2gfu h LEU 191 CO 0.13 0.00 0.02 -0.08 -0.34 0.00 0.00 178.44 178.17 2gfu h GLU 192 N 0.00 0.00 -0.58 1.25 4.57 -1.60 -2.73 114.58 115.48 2gfu h GLU 192 Ca 0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 2gfu h GLU 192 Cb 0.55 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.10 2gfu h GLU 192 CO 0.00 0.00 0.09 1.28 -1.18 0.00 0.00 179.01 179.20 2gfu n LEU 193 N -4.22 5.58 -2.37 1.64 4.32 -0.46 -4.89 117.00 116.60 2gfu n LEU 193 Ca -0.02 -3.07 0.00 0.00 -0.02 0.00 0.00 56.01 52.90 2gfu n LEU 193 Cb 0.12 -0.69 0.00 0.00 -1.62 0.00 0.00 43.42 41.23 2gfu n LEU 193 CO 0.31 0.71 0.19 0.00 -1.22 0.00 0.00 177.39 177.38 2gfu n ALA 194 N 0.15 0.94 0.00 -1.18 0.00 -1.03 -4.70 120.51 114.69 2gfu n ALA 194 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2gfu n ALA 194 Cb 1.22 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 19.08 2gfu n ALA 194 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2gfu n VAL 195 N 2.18 0.00 -1.52 0.00 0.31 -1.26 -4.21 118.33 113.83 2gfu n VAL 195 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2gfu n VAL 195 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2gfu n VAL 195 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2gfu n SER 196 N 1.08 -1.05 -3.40 4.52 2.88 -1.26 -4.90 113.62 111.49 2gfu n SER 196 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 2gfu n SER 196 Cb 0.00 -0.33 -0.04 0.00 -0.75 0.00 0.00 64.21 63.09 2gfu n SER 196 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2gfu n ASP 197 N 1.12 3.54 -2.24 -3.46 2.03 -1.26 -4.37 116.55 111.91 2gfu n ASP 197 Ca 0.00 -2.49 -0.01 0.00 0.52 0.00 0.00 54.79 52.81 2gfu n ASP 197 Cb 0.33 -1.08 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 2gfu n ASP 197 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2gfu n GLU 198 N 5.66 -0.67 -2.47 -0.67 4.71 -1.26 -4.74 120.64 121.20 2gfu n GLU 198 Ca 0.46 0.90 -0.43 0.00 -0.01 0.00 0.00 57.16 58.08 2gfu n GLU 198 Cb 0.27 -3.50 0.00 0.00 -1.01 0.00 0.00 31.44 27.20 2gfu n GLU 198 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2gfu n PRO 199 N -1.48 3.16 -1.72 3.49 -0.04 -1.26 -4.91 135.00 132.24 2gfu n PRO 199 Ca -0.00 -3.20 -0.42 0.00 -0.04 0.00 0.00 63.50 59.84 2gfu n PRO 199 Cb 0.51 -3.46 -0.00 0.00 -0.04 0.00 0.00 33.50 30.51 2gfu n PRO 199 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2gfu n SER 200 N 8.00 4.05 -0.55 3.54 3.41 -1.26 -5.24 113.62 125.57 2gfu n SER 200 Ca 0.49 -2.83 0.07 0.00 -0.26 0.00 0.00 58.87 56.34 2gfu n SER 200 Cb 0.45 -1.66 0.06 0.00 -0.26 0.00 0.00 64.21 62.80 2gfu n SER 200 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26