#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 6.59 -1.54 7.82 0.00 -1.26 -4.88 120.51 127.23 2gfu n ALA 69 Ca 0.00 -2.72 -0.41 0.00 0.00 0.00 0.00 53.44 50.31 2gfu n ALA 69 Cb 0.00 -2.42 -0.03 0.00 0.00 0.00 0.00 19.45 17.00 2gfu n ALA 69 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2gfu n LYS 70 N 1.92 2.08 -3.62 0.00 5.02 -1.26 -4.93 118.16 117.37 2gfu n LYS 70 Ca 0.51 -2.27 -0.37 0.00 -2.02 0.00 0.00 58.31 54.17 2gfu n LYS 70 Cb 0.63 -3.17 -0.07 0.00 -0.02 0.00 0.00 35.03 32.41 2gfu n LYS 70 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2gfu s ASN 71 N 4.51 6.45 -1.26 4.39 0.01 -1.26 -5.03 114.94 122.75 2gfu s ASN 71 Ca 0.55 0.53 -0.11 0.00 -0.71 0.00 0.00 52.86 53.11 2gfu s ASN 71 Cb 0.12 -2.16 -0.06 0.00 0.41 0.00 0.00 41.25 39.56 2gfu s ASN 71 CO 0.05 0.20 2.41 0.18 -1.51 0.00 0.00 177.10 178.43 2gfu n LEU 72 N 3.02 6.58 -0.39 0.60 4.32 -1.26 -4.41 117.00 125.45 2gfu n LEU 72 Ca -0.14 -3.67 0.11 0.00 -0.02 0.00 0.00 56.01 52.28 2gfu n LEU 72 Cb 0.53 -1.38 -0.03 0.00 -1.62 0.00 0.00 43.42 40.92 2gfu n LEU 72 CO 0.37 1.10 0.22 -0.46 -1.22 0.00 0.00 177.39 177.40 2gfu n ASN 73 N 4.84 1.80 -0.30 -1.43 0.23 -1.26 -5.00 115.26 114.14 2gfu n ASN 73 Ca 0.59 -1.40 -0.04 0.00 -0.53 0.00 0.00 54.58 53.20 2gfu n ASN 73 Cb 0.26 0.60 -0.02 0.00 -2.08 0.00 0.00 39.78 38.54 2gfu n ASN 73 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2gfu n GLY 74 N 1.44 0.46 1.15 4.83 0.00 -1.26 -1.29 105.19 110.51 2gfu n GLY 74 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.04 0.75 1.91 -0.02 0.00 -1.26 -4.97 105.19 101.64 2gfu n GLY 75 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 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 5.76 -0.05 0.99 4.77 -0.41 -3.78 117.00 124.28 2gfu n LEU 76 Ca 0.00 -2.98 -0.14 0.00 -0.03 0.00 0.00 56.01 52.86 2gfu n LEU 76 Cb 0.00 -0.72 -0.08 0.00 -2.33 0.00 0.00 43.42 40.29 2gfu n LEU 76 CO 0.00 0.73 0.50 -0.09 -1.33 0.00 0.00 177.39 177.21 2gfu h ARG 77 N 2.80 0.42 0.00 3.23 2.43 -1.94 -3.39 114.38 117.93 2gfu h ARG 77 Ca 0.19 -0.28 -0.33 0.00 -0.81 0.00 0.00 59.98 58.76 2gfu h ARG 77 Cb 2.16 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 31.70 2gfu h ARG 77 CO 0.65 0.88 -2.10 0.54 -1.51 0.00 0.00 179.97 178.43 2gfu n ARG 78 N -4.42 0.42 0.00 0.20 1.74 -1.26 -5.15 116.66 108.19 2gfu n ARG 78 Ca -0.07 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 2gfu n ARG 78 Cb 0.46 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 2gfu n ARG 78 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2gfu n SER 79 N -3.84 0.00 -0.01 0.55 2.88 -1.25 -4.95 113.62 107.01 2gfu n SER 79 Ca -0.39 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.16 2gfu n SER 79 Cb 0.78 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.24 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 -0.22 0.00 -4.07 2.46 0.24 -1.26 -5.03 118.33 110.44 2gfu n VAL 80 Ca 0.00 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.34 61.71 2gfu n VAL 80 Cb 0.00 1.00 -0.11 0.00 -1.47 0.00 0.00 33.84 33.27 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 -0.63 0.52 0.80 2.33 0.00 -1.26 -5.18 121.76 118.34 2gfu s ALA 81 Ca 0.00 -0.96 -0.12 0.00 0.00 0.00 0.00 51.96 50.89 2gfu s ALA 81 Cb 0.00 0.15 0.07 0.00 0.00 0.00 0.00 23.12 23.35 2gfu s ALA 81 CO 0.01 -0.19 1.13 -1.25 0.00 0.00 0.00 175.76 175.46 2gfu s PRO 82 N -2.63 2.08 0.00 0.00 0.04 -1.26 -5.06 135.00 128.17 2gfu s PRO 82 Ca -0.03 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.37 2gfu s PRO 82 Cb -0.02 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2gfu s PRO 82 CO -0.04 -1.56 0.00 0.00 0.04 0.00 0.00 177.00 175.44 2gfu n ALA 83 N -3.34 0.61 -2.94 8.56 0.00 -1.26 -5.09 120.51 117.05 2gfu n ALA 83 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.12 2gfu n ALA 83 Cb 0.59 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.71 3.22 -0.87 0.00 0.00 -1.26 -5.04 121.76 116.09 2gfu s ALA 84 Ca 0.00 -1.56 -0.25 0.00 0.00 0.00 0.00 51.96 50.15 2gfu s ALA 84 Cb 0.00 -2.41 -0.05 0.00 0.00 0.00 0.00 23.12 20.66 2gfu s ALA 84 CO 0.00 -1.14 1.97 -1.25 0.00 0.00 0.00 175.76 175.34 2gfu s PRO 85 N 1.55 2.51 -0.09 0.00 0.04 -1.26 -4.92 135.00 132.83 2gfu s PRO 85 Ca 0.03 -0.17 -0.28 0.00 0.04 0.00 0.00 61.00 60.62 2gfu s PRO 85 Cb -0.18 -4.99 -0.02 0.00 0.04 0.00 0.00 34.50 29.35 2gfu s PRO 85 CO 0.05 -3.38 0.94 0.99 0.04 0.00 0.00 177.00 175.65 2gfu s THR 86 N 10.25 4.84 0.00 1.26 2.01 -1.26 -4.97 115.64 127.76 2gfu s THR 86 Ca 0.71 1.92 -0.01 0.00 0.31 0.00 0.00 61.69 64.62 2gfu s THR 86 Cb -0.08 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 2gfu s THR 86 CO 0.02 0.06 0.91 -1.54 -0.69 0.00 0.00 174.62 173.37 2gfu n SER 87 N 4.74 1.03 0.00 3.53 3.41 -1.26 -1.99 113.62 123.07 2gfu n SER 87 Ca 0.07 -1.57 0.00 0.00 -0.26 0.00 0.00 58.87 57.10 2gfu n SER 87 Cb 0.49 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 2gfu n SER 87 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2gfu n SER 88 N 2.62 0.00 -3.97 4.04 3.41 -1.26 -5.09 113.62 113.37 2gfu n SER 88 Ca 0.06 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.36 2gfu n SER 88 Cb 0.16 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.96 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 0.00 4.48 -0.08 4.04 1.11 -0.84 -4.20 116.67 121.18 2gfu s ASP 89 Ca 0.00 -1.84 0.02 0.00 0.18 0.00 0.00 52.55 50.91 2gfu s ASP 89 Cb 0.00 -1.43 0.01 0.00 1.07 0.00 0.00 42.92 42.57 2gfu s ASP 89 CO 0.00 -0.34 -0.15 -0.36 1.18 0.00 0.00 175.17 175.49 2gfu s PHE 90 N 1.11 1.82 0.32 4.23 0.08 -1.26 -4.84 117.98 119.43 2gfu s PHE 90 Ca 0.06 -0.75 0.08 0.00 0.12 0.00 0.00 56.93 56.45 2gfu s PHE 90 Cb -0.19 -1.30 -0.04 0.00 -0.57 0.00 0.00 43.02 40.93 2gfu s PHE 90 CO -0.10 -0.36 0.14 -1.54 -0.10 0.00 0.00 175.22 173.25 2gfu s SER 91 N 0.70 4.81 0.24 1.36 1.04 -1.26 -4.96 113.70 115.64 2gfu s SER 91 Ca -0.13 -0.67 -0.31 0.00 0.48 0.00 0.00 55.95 55.32 2gfu s SER 91 Cb -0.16 -0.84 -0.13 0.00 0.10 0.00 0.00 66.02 64.99 2gfu s SER 91 CO 0.03 -0.23 1.40 -2.65 0.98 0.00 0.00 173.24 172.77 2gfu n PRO 92 N -1.14 2.02 0.00 4.02 -0.02 -1.26 -2.83 135.00 135.79 2gfu n PRO 92 Ca -0.04 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2gfu n PRO 92 Cb 0.60 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 2.09 3.35 3.73 -1.23 0.00 -1.17 -4.98 105.19 106.98 2gfu n GLY 93 Ca 0.11 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 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 3.86 -0.08 1.61 1.01 -1.13 -4.83 116.67 117.12 2gfu s ASP 94 Ca 0.00 2.02 -0.04 0.00 0.71 0.00 0.00 52.55 55.24 2gfu s ASP 94 Cb 0.00 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 2gfu s ASP 94 CO 0.00 -2.47 0.09 -0.76 0.21 0.00 0.00 175.17 172.24 2gfu s LEU 95 N -6.10 4.06 0.13 1.23 2.01 -1.26 -0.90 118.68 117.85 2gfu s LEU 95 Ca 0.65 0.31 0.04 0.00 0.01 0.00 0.00 54.13 55.13 2gfu s LEU 95 Cb -0.20 -2.08 -0.04 0.00 0.01 0.00 0.00 46.19 43.87 2gfu s LEU 95 CO 0.55 0.36 -0.10 0.68 1.01 0.00 0.00 176.35 178.86 2gfu s VAL 96 N -1.04 1.07 -0.28 -1.59 -7.23 -0.13 -2.39 120.40 108.81 2gfu s VAL 96 Ca 0.17 -2.01 -0.06 0.00 -1.81 0.00 0.00 61.98 58.26 2gfu s VAL 96 Cb -0.12 -1.79 0.00 0.00 0.56 0.00 0.00 36.38 35.04 2gfu s VAL 96 CO 0.07 -0.76 0.07 0.26 -0.31 0.00 0.00 175.10 174.42 2gfu s TRP 97 N -3.32 3.13 0.03 2.82 0.52 0.32 -0.89 118.94 121.54 2gfu s TRP 97 Ca 0.15 -0.93 0.00 0.00 0.02 0.00 0.00 56.10 55.34 2gfu s TRP 97 Cb 0.03 -2.24 -0.04 0.00 -1.15 0.00 0.00 33.47 30.07 2gfu s TRP 97 CO -0.00 -0.56 0.12 0.00 0.02 0.00 0.00 176.95 176.53 2gfu s ALA 98 N 1.50 3.71 -0.12 0.98 0.00 0.16 0.44 121.76 128.44 2gfu s ALA 98 Ca 0.03 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.11 2gfu s ALA 98 Cb -0.17 -1.63 -0.01 0.00 0.00 0.00 0.00 23.12 21.31 2gfu s ALA 98 CO 0.02 0.74 -0.15 0.21 0.00 0.00 0.00 175.76 176.58 2gfu s LYS 99 N -2.09 3.28 -0.02 0.00 2.36 -0.80 -1.03 119.74 121.43 2gfu s LYS 99 Ca 0.28 -0.72 0.05 0.00 -2.55 0.00 0.00 55.97 53.03 2gfu s LYS 99 Cb -0.12 -2.56 -0.03 0.00 -1.05 0.00 0.00 37.83 34.07 2gfu s LYS 99 CO 0.19 0.23 -0.18 1.41 1.55 0.00 0.00 175.35 178.56 2gfu s MET 100 N 0.28 2.31 -0.55 4.03 -2.45 -1.26 -4.77 119.30 116.90 2gfu s MET 100 Ca -0.11 -0.82 -0.27 0.00 -1.25 0.00 0.00 55.69 53.24 2gfu s MET 100 Cb -0.16 -2.25 -0.03 0.00 1.25 0.00 0.00 34.83 33.64 2gfu s MET 100 CO 0.06 0.59 1.98 -2.00 1.05 0.00 0.00 175.02 176.70 2gfu s GLU 101 N -0.87 2.59 0.00 4.11 2.12 -1.26 -1.72 118.70 123.68 2gfu s GLU 101 Ca 0.12 0.90 0.00 0.00 0.36 0.00 0.00 54.97 56.35 2gfu s GLU 101 Cb -0.10 -4.41 0.00 0.00 0.26 0.00 0.00 34.13 29.87 2gfu s GLU 101 CO 0.01 -2.75 0.00 0.41 -0.54 0.00 0.00 175.26 172.39 2gfu n GLY 102 N 5.74 1.16 3.90 -1.50 0.00 -1.26 -5.12 105.19 108.11 2gfu n GLY 102 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.03 3.00 0.89 1.61 1.51 -0.70 -5.14 117.35 116.48 2gfu s TYR 103 Ca 0.00 -0.26 -0.12 0.00 -1.01 0.00 0.00 57.07 55.68 2gfu s TYR 103 Cb 0.00 -1.85 0.13 0.00 -0.11 0.00 0.00 41.96 40.13 2gfu s TYR 103 CO 0.00 0.14 1.10 -2.14 -1.11 0.00 0.00 175.55 173.53 2gfu s PRO 104 N -4.05 1.31 0.14 -1.71 0.02 -1.26 -4.65 135.00 124.79 2gfu s PRO 104 Ca 0.42 0.69 -0.31 0.00 0.02 0.00 0.00 61.00 61.81 2gfu s PRO 104 Cb -0.07 -1.83 -0.11 0.00 0.02 0.00 0.00 34.50 32.51 2gfu s PRO 104 CO 0.28 -2.17 1.83 0.91 -0.33 0.00 0.00 177.00 177.52 2gfu n TRP 105 N -3.82 2.66 -3.77 6.54 7.02 -1.26 -4.54 117.44 120.28 2gfu n TRP 105 Ca 0.07 -0.13 -0.25 0.00 -1.02 0.00 0.00 57.50 56.16 2gfu n TRP 105 Cb 0.56 -2.73 -0.17 0.00 -2.42 0.00 0.00 31.31 26.55 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 2.50 0.85 -0.20 -5.99 0.23 -0.20 -4.95 118.94 111.17 2gfu s TRP 106 Ca 0.81 -0.45 -0.32 0.00 -2.03 0.00 0.00 56.10 54.11 2gfu s TRP 106 Cb -0.48 -0.91 -0.09 0.00 0.03 0.00 0.00 33.47 32.03 2gfu s TRP 106 CO 0.36 -0.44 2.11 -2.30 0.96 0.00 0.00 176.95 177.64 2gfu n PRO 107 N 5.10 1.88 -4.39 4.98 -0.02 -1.26 -0.67 135.00 140.61 2gfu n PRO 107 Ca -0.08 0.59 -0.20 0.00 -2.02 0.00 0.00 63.50 61.79 2gfu n PRO 107 Cb 0.49 -2.87 -0.10 0.00 -0.02 0.00 0.00 33.50 30.99 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 6.67 2.52 0.06 2.55 1.04 -0.07 -3.39 113.70 123.09 2gfu s SER 108 Ca 1.00 -1.17 0.07 0.00 0.48 0.00 0.00 55.95 56.33 2gfu s SER 108 Cb -0.57 -0.12 -0.04 0.00 0.10 0.00 0.00 66.02 65.39 2gfu s SER 108 CO 0.43 -0.36 -0.16 -0.22 0.98 0.00 0.00 173.24 173.92 2gfu s LEU 109 N -3.39 2.75 -0.11 2.42 2.96 -1.02 -0.95 118.68 121.34 2gfu s LEU 109 Ca 0.28 -0.42 -0.18 0.00 -0.22 0.00 0.00 54.13 53.59 2gfu s LEU 109 Cb 0.04 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 2gfu s LEU 109 CO 0.10 0.23 0.49 -0.69 -1.32 0.00 0.00 176.35 175.16 2gfu s VAL 110 N -1.02 5.17 0.08 1.68 1.01 -0.08 -1.22 120.40 126.01 2gfu s VAL 110 Ca 0.17 0.97 0.04 0.00 0.00 0.00 0.00 61.98 63.16 2gfu s VAL 110 Cb -0.11 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 2gfu s VAL 110 CO 0.08 0.34 -0.12 -0.47 0.00 0.00 0.00 175.10 174.93 2gfu s TYR 111 N 0.52 1.10 -0.39 5.22 5.04 -0.68 -3.02 117.35 125.15 2gfu s TYR 111 Ca 0.26 -0.55 -0.20 0.00 -2.44 0.00 0.00 57.07 54.15 2gfu s TYR 111 Cb -0.15 -0.61 0.01 0.00 0.35 0.00 0.00 41.96 41.56 2gfu s TYR 111 CO 0.11 0.03 0.59 -0.80 -1.34 0.00 0.00 175.55 174.14 2gfu s ASN 112 N -2.05 6.35 0.85 4.32 -0.87 -1.26 -4.61 114.94 117.66 2gfu s ASN 112 Ca 0.01 -0.12 -0.10 0.00 -1.57 0.00 0.00 52.86 51.07 2gfu s ASN 112 Cb -0.07 -2.30 0.11 0.00 -0.02 0.00 0.00 41.25 38.97 2gfu s ASN 112 CO 0.01 -0.63 1.11 -1.00 -2.57 0.00 0.00 177.10 174.03 2gfu s HIS 113 N 2.63 2.12 -1.43 2.20 3.76 -1.26 -4.86 115.29 118.46 2gfu s HIS 113 Ca 0.21 1.62 0.00 0.00 -0.15 0.00 0.00 55.06 56.74 2gfu s HIS 113 Cb -0.15 -3.18 0.00 0.00 1.11 0.00 0.00 32.58 30.36 2gfu s HIS 113 CO 0.16 -2.33 0.45 -2.30 -0.85 0.00 0.00 174.74 169.87 2gfu n PRO 114 N -3.89 0.00 -1.18 8.40 -0.02 -1.26 -0.75 135.00 136.30 2gfu n PRO 114 Ca 0.10 0.05 -0.11 0.00 -2.02 0.00 0.00 63.50 61.53 2gfu n PRO 114 Cb 0.53 -1.52 0.14 0.00 -0.02 0.00 0.00 33.50 32.63 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 -0.95 1.52 -2.39 6.00 3.72 -1.26 -5.10 117.46 118.99 2gfu n PHE 115 Ca 0.00 -1.90 -0.34 0.00 -0.05 0.00 0.00 57.45 55.16 2gfu n PHE 115 Cb 0.02 -0.47 -0.02 0.00 -0.94 0.00 0.00 39.48 38.07 2gfu n PHE 115 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 2gfu s ASP 116 N -2.98 6.04 0.00 4.37 1.47 0.07 -4.15 116.67 121.49 2gfu s ASP 116 Ca 0.47 2.03 0.00 0.00 1.18 0.00 0.00 52.55 56.23 2gfu s ASP 116 Cb 0.41 -2.57 0.00 0.00 -0.34 0.00 0.00 42.92 40.42 2gfu s ASP 116 CO -0.01 -0.99 0.00 0.61 0.68 0.00 0.00 175.17 175.46 2gfu n GLY 117 N -0.11 0.87 3.20 2.12 0.00 -1.26 -5.04 105.19 104.97 2gfu n GLY 117 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 2gfu n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gfu s THR 118 N -2.00 -0.03 0.00 2.61 2.01 -1.26 -5.09 115.64 111.88 2gfu s THR 118 Ca 0.00 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.10 2gfu s THR 118 Cb 0.00 -0.53 0.00 0.00 0.01 0.00 0.00 72.50 71.98 2gfu s THR 118 CO 0.00 0.04 0.00 2.22 -0.69 0.00 0.00 174.62 176.19 2gfu n PHE 119 N 4.15 0.00 -4.29 4.92 -1.74 -1.26 -4.88 117.46 114.36 2gfu n PHE 119 Ca -0.23 0.00 -0.32 0.00 -0.56 0.00 0.00 57.45 56.34 2gfu n PHE 119 Cb 0.55 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.46 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 4.03 -0.01 1.97 -4.36 -1.26 -3.95 121.20 117.62 2gfu s ILE 120 Ca 0.00 -0.71 0.00 0.00 -0.26 0.00 0.00 60.65 59.69 2gfu s ILE 120 Cb 0.00 -2.81 0.01 0.00 1.25 0.00 0.00 42.46 40.90 2gfu s ILE 120 CO 0.00 0.33 -0.01 -0.60 0.24 0.00 0.00 174.94 174.91 2gfu s ARG 121 N -1.67 0.10 -0.07 0.37 3.52 -0.93 -5.04 118.95 115.23 2gfu s ARG 121 Ca 0.20 -0.00 -0.03 0.00 -0.13 0.00 0.00 55.73 55.77 2gfu s ARG 121 Cb -0.11 -0.14 0.04 0.00 -1.56 0.00 0.00 34.95 33.17 2gfu s ARG 121 CO 0.11 -0.01 0.14 -2.00 -0.81 0.00 0.00 175.30 172.73 2gfu s GLU 122 N 0.20 0.07 -0.48 5.12 2.12 -1.26 -2.00 118.70 122.47 2gfu s GLU 122 Ca -0.02 0.41 0.02 0.00 0.36 0.00 0.00 54.97 55.74 2gfu s GLU 122 Cb -0.03 -0.21 0.13 0.00 0.26 0.00 0.00 34.13 34.27 2gfu s GLU 122 CO -0.01 -0.20 0.23 0.21 -0.54 0.00 0.00 175.26 174.95 2gfu s LYS 123 N 1.46 1.95 0.00 4.30 2.20 -1.19 -5.02 119.74 123.44 2gfu s LYS 123 Ca -0.06 -2.31 0.00 0.00 -0.36 0.00 0.00 55.97 53.24 2gfu s LYS 123 Cb -0.12 -3.39 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 2gfu s LYS 123 CO -0.06 -1.07 0.00 0.41 -0.36 0.00 0.00 175.35 174.27 2gfu n GLY 124 N 3.66 0.67 2.52 5.54 0.00 -1.26 -3.66 105.19 112.66 2gfu n GLY 124 Ca 0.04 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 2gfu n GLY 124 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2gfu n LYS 125 N 0.00 1.04 -3.65 1.61 4.81 -1.26 -5.09 118.16 115.62 2gfu n LYS 125 Ca 0.00 -2.60 -0.04 0.00 -0.87 0.00 0.00 58.31 54.80 2gfu n LYS 125 Cb 0.00 -1.18 -0.07 0.00 0.02 0.00 0.00 35.03 33.80 2gfu n LYS 125 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2gfu s SER 126 N -1.90 -0.12 -0.03 3.14 0.01 -1.24 -5.19 113.70 108.38 2gfu s SER 126 Ca 0.29 0.23 0.04 0.00 1.31 0.00 0.00 55.95 57.82 2gfu s SER 126 Cb 0.35 0.23 -0.00 0.00 0.21 0.00 0.00 66.02 66.80 2gfu s SER 126 CO -0.06 -0.04 -0.14 0.54 0.41 0.00 0.00 173.24 173.95 2gfu s VAL 127 N 0.04 1.18 -0.01 3.43 0.11 -1.26 -3.17 120.40 120.72 2gfu s VAL 127 Ca 0.07 -0.60 0.05 0.00 -2.93 0.00 0.00 61.98 58.57 2gfu s VAL 127 Cb -0.05 -1.01 -0.03 0.00 -1.53 0.00 0.00 36.38 33.77 2gfu s VAL 127 CO -0.14 0.34 -0.16 -0.13 -3.33 0.00 0.00 175.10 171.69 2gfu s ARG 128 N -0.05 2.35 0.06 1.54 0.52 -0.85 -0.37 118.95 122.14 2gfu s ARG 128 Ca -0.00 -0.80 -0.09 0.00 -0.52 0.00 0.00 55.73 54.31 2gfu s ARG 128 Cb -0.09 -2.31 0.00 0.00 0.52 0.00 0.00 34.95 33.08 2gfu s ARG 128 CO 0.01 0.59 0.19 0.14 0.02 0.00 0.00 175.30 176.25 2gfu s VAL 129 N -0.81 0.12 0.21 3.52 -7.23 -1.25 -2.20 120.40 112.77 2gfu s VAL 129 Ca 0.13 -1.01 -0.30 0.00 -1.81 0.00 0.00 61.98 58.99 2gfu s VAL 129 Cb -0.11 -1.06 -0.08 0.00 0.56 0.00 0.00 36.38 35.69 2gfu s VAL 129 CO 0.02 -0.56 0.96 -1.00 -0.31 0.00 0.00 175.10 174.21 2gfu s HIS 130 N -3.02 3.92 0.23 2.82 0.09 -1.25 -3.83 115.29 114.25 2gfu s HIS 130 Ca -0.02 1.88 0.01 0.00 -0.00 0.00 0.00 55.06 56.93 2gfu s HIS 130 Cb 0.01 -3.02 -0.04 0.00 -0.00 0.00 0.00 32.58 29.54 2gfu s HIS 130 CO -0.06 0.33 0.16 0.14 -0.00 0.00 0.00 174.74 175.31 2gfu s VAL 131 N -0.88 0.01 0.02 -0.90 -7.23 -1.23 -1.68 120.40 108.51 2gfu s VAL 131 Ca 0.43 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 2gfu s VAL 131 Cb -0.26 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.16 2gfu s VAL 131 CO 0.32 0.00 -0.05 0.00 -0.31 0.00 0.00 175.10 175.06 2gfu s GLN 132 N -4.00 0.36 -0.22 4.82 1.03 -0.36 -3.51 119.66 117.79 2gfu s GLN 132 Ca 0.39 -0.54 -0.02 0.00 0.04 0.00 0.00 55.36 55.23 2gfu s GLN 132 Cb 0.06 -0.11 0.01 0.00 0.03 0.00 0.00 33.01 33.00 2gfu s GLN 132 CO 0.16 0.01 -0.08 -0.06 -2.54 0.00 0.00 175.29 172.78 2gfu s PHE 133 N -1.10 2.95 -0.10 9.60 0.40 0.19 -2.43 117.98 127.50 2gfu s PHE 133 Ca -0.10 -1.25 -0.01 0.00 -0.60 0.00 0.00 56.93 54.97 2gfu s PHE 133 Cb -0.08 -2.06 -0.04 0.00 0.51 0.00 0.00 43.02 41.35 2gfu s PHE 133 CO -0.00 -0.65 1.15 1.19 0.70 0.00 0.00 175.22 177.61 2gfu n PHE 134 N 4.73 0.14 0.00 0.36 3.72 -1.22 -2.76 117.46 122.43 2gfu n PHE 134 Ca -0.18 -0.50 0.00 0.00 -0.05 0.00 0.00 57.45 56.72 2gfu n PHE 134 Cb 0.50 -0.72 0.00 0.00 -0.94 0.00 0.00 39.48 38.32 2gfu n PHE 134 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2gfu n ASP 135 N 3.53 0.00 -0.11 4.37 5.68 -1.26 -4.71 116.55 124.04 2gfu n ASP 135 Ca 0.10 0.00 -0.24 0.00 -0.50 0.00 0.00 54.79 54.14 2gfu n ASP 135 Cb 0.12 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 39.99 2gfu n ASP 135 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2gfu n ASP 136 N 0.00 1.96 -0.01 -1.12 2.03 -1.26 -4.80 116.55 113.36 2gfu n ASP 136 Ca 0.00 0.23 -0.12 0.00 0.52 0.00 0.00 54.79 55.42 2gfu n ASP 136 Cb 0.00 -0.76 -0.10 0.00 -0.72 0.00 0.00 41.12 39.54 2gfu n ASP 136 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2gfu h SER 137 N -0.63 -0.06 -2.72 1.67 0.87 -1.97 -3.49 113.55 107.22 2gfu h SER 137 Ca -0.57 -0.57 -0.16 0.00 -1.23 0.00 0.00 61.79 59.26 2gfu h SER 137 Cb 1.67 0.02 0.06 0.00 -0.44 0.00 0.00 62.40 63.71 2gfu h SER 137 CO -0.24 0.60 0.15 -0.81 -0.53 0.00 0.00 176.83 176.00 2gfu n PRO 138 N -4.81 -0.46 -3.35 2.24 -0.04 -1.26 -4.84 135.00 122.48 2gfu n PRO 138 Ca -0.08 -0.77 -0.40 0.00 -0.04 0.00 0.00 63.50 62.20 2gfu n PRO 138 Cb 0.31 -0.50 -0.09 0.00 -0.04 0.00 0.00 33.50 33.18 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 -2.05 5.13 0.02 0.52 2.01 -1.11 -4.99 115.64 115.16 2gfu s THR 139 Ca 0.28 0.30 -0.22 0.00 0.31 0.00 0.00 61.69 62.36 2gfu s THR 139 Cb -0.01 -3.82 0.05 0.00 0.01 0.00 0.00 72.50 68.73 2gfu s THR 139 CO 0.20 -0.04 0.50 -0.60 -0.69 0.00 0.00 174.62 173.98 2gfu s ARG 140 N 2.14 0.96 0.00 4.92 3.00 -1.26 -0.64 118.95 128.06 2gfu s ARG 140 Ca 0.15 -0.15 0.00 0.00 -1.00 0.00 0.00 55.73 54.73 2gfu s ARG 140 Cb -0.16 0.44 0.00 0.00 0.00 0.00 0.00 34.95 35.23 2gfu s ARG 140 CO 0.11 -0.32 0.00 0.41 0.00 0.00 0.00 175.30 175.50 2gfu n GLY 141 N 0.68 -0.31 3.56 8.12 0.00 -1.23 -5.06 105.19 110.95 2gfu n GLY 141 Ca -0.19 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 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 -4.00 3.00 0.55 1.61 0.52 -1.26 -3.54 118.94 115.83 2gfu s TRP 142 Ca 0.00 0.37 0.07 0.00 0.02 0.00 0.00 56.10 56.56 2gfu s TRP 142 Cb 0.00 -3.71 0.07 0.00 -1.15 0.00 0.00 33.47 28.68 2gfu s TRP 142 CO 0.00 -0.96 0.76 0.14 0.02 0.00 0.00 176.95 176.92 2gfu s VAL 143 N 3.42 2.40 -0.16 4.03 -7.23 -1.25 -5.04 120.40 116.56 2gfu s VAL 143 Ca 0.33 -0.92 -0.16 0.00 -1.81 0.00 0.00 61.98 59.43 2gfu s VAL 143 Cb -0.12 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 2gfu s VAL 143 CO 0.22 0.00 0.38 -0.55 -0.31 0.00 0.00 175.10 174.84 2gfu s SER 144 N -4.58 6.51 0.00 4.85 0.15 -1.26 -3.93 113.70 115.44 2gfu s SER 144 Ca 0.60 0.60 0.26 0.00 0.70 0.00 0.00 55.95 58.12 2gfu s SER 144 Cb -0.07 -2.23 1.25 0.00 -1.71 0.00 0.00 66.02 63.26 2gfu s SER 144 CO 0.38 0.01 1.87 2.29 1.20 0.00 0.00 173.24 179.00 2gfu n LYS 145 N 3.89 0.24 0.27 5.44 2.85 0.50 -2.59 118.16 128.76 2gfu n LYS 145 Ca -0.09 0.04 0.18 0.00 -1.05 0.00 0.00 58.31 57.39 2gfu n LYS 145 Cb 0.52 -1.50 0.78 0.00 -0.65 0.00 0.00 35.03 34.18 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 -0.02 -1.58 0.11 -1.73 -2.88 114.38 108.28 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 0.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.40 2gfu h ARG 146 CO 0.00 0.00 -0.02 1.28 0.10 0.00 0.00 179.97 181.33 2gfu n LEU 147 N -2.98 2.15 -4.92 0.08 4.77 -1.07 -4.95 117.00 110.08 2gfu n LEU 147 Ca -0.00 -0.72 -0.24 0.00 -0.03 0.00 0.00 56.01 55.02 2gfu n LEU 147 Cb 0.24 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 2gfu n LEU 147 CO 0.24 0.36 -0.10 -0.76 -1.33 0.00 0.00 177.39 175.80 2gfu s LEU 148 N -2.02 4.21 0.38 2.23 1.43 -1.09 -1.90 118.68 121.93 2gfu s LEU 148 Ca 0.33 0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.57 2gfu s LEU 148 Cb 0.20 -2.78 -0.07 0.00 0.03 0.00 0.00 46.19 43.58 2gfu s LEU 148 CO 0.33 0.01 -0.02 -0.54 0.23 0.00 0.00 176.35 176.36 2gfu s LYS 149 N -3.51 1.92 0.50 1.70 -0.14 0.17 -4.77 119.74 115.61 2gfu s LYS 149 Ca 0.34 -2.03 -0.12 0.00 -1.36 0.00 0.00 55.97 52.79 2gfu s LYS 149 Cb -0.10 -1.68 -0.06 0.00 -1.68 0.00 0.00 37.83 34.31 2gfu s LYS 149 CO 0.28 0.02 0.90 -1.25 -0.76 0.00 0.00 175.35 174.54 2gfu s PRO 150 N -3.68 3.78 0.09 -1.68 0.04 -1.26 -0.52 135.00 131.76 2gfu s PRO 150 Ca 0.34 0.68 -0.03 0.00 0.04 0.00 0.00 61.00 62.02 2gfu s PRO 150 Cb 0.07 -2.23 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 2gfu s PRO 150 CO 0.18 -0.25 0.30 -0.47 0.04 0.00 0.00 177.00 176.80 2gfu s TYR 151 N -2.66 3.51 0.00 0.56 5.04 -1.00 -4.56 117.35 118.23 2gfu s TYR 151 Ca 0.54 0.45 0.00 0.00 -2.44 0.00 0.00 57.07 55.62 2gfu s TYR 151 Cb -0.10 -1.91 0.00 0.00 0.35 0.00 0.00 41.96 40.29 2gfu s TYR 151 CO 0.37 0.52 0.00 -2.37 -1.34 0.00 0.00 175.55 172.74 2gfu n THR 152 N 0.36 0.00 0.00 4.34 5.66 -1.26 -4.96 114.28 118.41 2gfu n THR 152 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 2gfu n THR 152 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 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 -0.78 0.50 0.22 1.09 0.00 -1.26 -4.71 105.19 100.26 2gfu n GLY 153 Ca 0.00 -2.27 0.05 0.00 0.00 0.00 0.00 46.02 43.80 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 1.50 1.61 0.02 -1.85 0.15 113.55 114.98 2gfu h SER 154 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2gfu h SER 154 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2gfu h SER 154 CO 0.00 0.00 -0.27 0.50 -1.14 0.00 0.00 176.83 175.92 2gfu h LYS 155 N 0.00 0.00 -6.65 3.45 3.64 -1.87 -3.41 116.57 111.72 2gfu h LYS 155 Ca 0.00 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.87 2gfu h LYS 155 Cb 1.14 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 2gfu h LYS 155 CO 0.00 0.27 -0.02 0.45 -2.27 0.00 0.00 179.45 177.89 2gfu s SER 156 N -6.29 6.52 0.33 4.20 0.15 0.54 -5.00 113.70 114.14 2gfu s SER 156 Ca 0.04 0.95 0.02 0.00 0.70 0.00 0.00 55.95 57.65 2gfu s SER 156 Cb 0.07 -2.24 0.58 0.00 -1.71 0.00 0.00 66.02 62.72 2gfu s SER 156 CO 0.69 -0.27 1.96 0.50 1.20 0.00 0.00 173.24 177.32 2gfu h LYS 157 N 1.63 0.80 0.00 5.44 3.64 -1.91 0.70 116.57 126.88 2gfu h LYS 157 Ca -0.47 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 2gfu h LYS 157 Cb 1.19 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 2gfu h LYS 157 CO 0.65 0.60 0.00 0.39 -2.27 0.00 0.00 179.45 178.82 2gfu n GLU 158 N -4.39 0.35 -0.11 1.90 1.02 -1.26 -2.72 120.64 115.43 2gfu n GLU 158 Ca 0.05 0.08 0.05 0.00 -0.02 0.00 0.00 57.16 57.32 2gfu n GLU 158 Cb 0.10 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.13 2gfu n GLU 158 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2gfu n ALA 159 N -1.23 2.25 -3.89 0.62 0.00 0.21 -2.81 120.51 115.67 2gfu n ALA 159 Ca 0.11 -0.97 -0.09 0.00 0.00 0.00 0.00 53.44 52.49 2gfu n ALA 159 Cb 0.14 -0.37 -0.02 0.00 0.00 0.00 0.00 19.45 19.20 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 0.45 1.03 -1.86 0.00 -0.00 -1.05 -4.73 117.38 111.22 2gfu n GLN 160 Ca 0.09 -1.06 -0.42 0.00 -0.00 0.00 0.00 57.00 55.60 2gfu n GLN 160 Cb 0.36 0.50 -0.03 0.00 -0.00 0.00 0.00 30.24 31.07 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 -2.49 4.17 0.00 2.61 2.20 -1.26 -0.55 119.74 124.41 2gfu s LYS 161 Ca 0.05 2.40 0.00 0.00 -0.36 0.00 0.00 55.97 58.05 2gfu s LYS 161 Cb 0.00 -3.85 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 2gfu s LYS 161 CO 0.03 -0.83 0.00 0.41 -0.36 0.00 0.00 175.35 174.60 2gfu n GLY 162 N 4.20 0.54 3.77 5.54 0.00 -1.26 -5.06 105.19 112.92 2gfu n GLY 162 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.92 2.96 0.63 -0.02 0.00 0.28 -4.92 107.32 104.33 2gfu s GLY 163 Ca 0.00 0.44 0.39 0.00 0.00 0.00 0.00 44.72 45.55 2gfu s GLY 163 CO 0.00 0.96 2.29 0.45 0.00 0.00 0.00 173.10 176.79 2gfu h HIS 164 N 4.11 0.00 -0.01 1.90 3.86 -1.79 -2.83 115.15 120.39 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 0.63 0.01 -0.20 1.19 0.86 0.00 0.00 177.93 180.42 2gfu n PHE 165 N -3.30 0.00 -2.40 2.45 3.72 -1.12 -5.02 117.46 111.80 2gfu n PHE 165 Ca -0.03 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.11 2gfu n PHE 165 Cb 0.11 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.69 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 -1.49 3.21 0.00 1.38 5.04 -1.07 -4.75 117.35 119.67 2gfu s TYR 166 Ca 0.12 0.60 0.00 0.00 -2.44 0.00 0.00 57.07 55.34 2gfu s TYR 166 Cb 0.10 -2.78 0.00 0.00 0.35 0.00 0.00 41.96 39.64 2gfu s TYR 166 CO 0.28 -0.88 0.00 0.43 -1.34 0.00 0.00 175.55 174.05 2gfu n SER 167 N -2.60 0.00 -4.00 4.32 7.64 -1.26 -5.01 113.62 112.71 2gfu n SER 167 Ca 0.05 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.62 2gfu n SER 167 Cb 0.58 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.63 2gfu n SER 167 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gfu s ALA 168 N -2.00 2.72 -0.15 -0.43 0.00 -1.26 -4.90 121.76 115.74 2gfu s ALA 168 Ca 0.00 -2.34 0.02 0.00 0.00 0.00 0.00 51.96 49.64 2gfu s ALA 168 Cb 0.00 -1.88 0.01 0.00 0.00 0.00 0.00 23.12 21.25 2gfu s ALA 168 CO 0.00 -1.61 -0.21 0.21 0.00 0.00 0.00 175.76 174.15 2gfu s LYS 169 N 1.00 3.04 0.53 0.00 2.20 -1.26 -5.06 119.74 120.19 2gfu s LYS 169 Ca 0.08 -0.84 0.24 0.00 -0.36 0.00 0.00 55.97 55.09 2gfu s LYS 169 Cb -0.19 -2.49 1.39 0.00 -1.51 0.00 0.00 37.83 35.03 2gfu s LYS 169 CO -0.09 -0.06 2.03 -1.35 -0.36 0.00 0.00 175.35 175.52 2gfu h PRO 170 N 7.47 0.00 -0.41 4.03 0.11 -1.99 -1.03 132.00 140.17 2gfu h PRO 170 Ca -0.36 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.68 2gfu h PRO 170 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2gfu h PRO 170 CO 0.57 0.00 -0.04 1.05 -0.21 0.00 0.00 178.00 179.38 2gfu h GLU 171 N 0.00 0.69 -0.39 1.05 4.11 -1.97 0.31 114.58 118.38 2gfu h GLU 171 Ca 0.20 -0.19 -0.11 0.00 0.07 0.00 0.00 59.36 59.33 2gfu h GLU 171 Cb 0.80 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2gfu h GLU 171 CO -0.00 0.73 -0.19 0.82 0.07 0.00 0.00 179.01 180.44 2gfu h ILE 172 N 0.64 1.28 -0.28 -1.06 2.04 -1.51 -1.68 117.51 116.94 2gfu h ILE 172 Ca 0.12 -1.33 -0.09 0.00 1.00 0.00 0.00 64.86 64.57 2gfu h ILE 172 Cb 0.46 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 2gfu h ILE 172 CO 0.02 0.44 -0.15 -0.07 0.00 0.00 0.00 178.15 178.39 2gfu h LEU 173 N 0.63 0.63 -0.74 1.44 3.38 -1.31 -1.13 115.31 118.20 2gfu h LEU 173 Ca 0.09 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.68 2gfu h LEU 173 Cb 0.75 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 2gfu h LEU 173 CO 0.06 0.91 0.45 -0.09 0.09 0.00 0.00 178.44 179.86 2gfu h ARG 174 N 0.35 0.84 -0.26 1.13 2.43 -0.41 0.21 114.38 118.68 2gfu h ARG 174 Ca 0.06 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 2gfu h ARG 174 Cb 0.68 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2gfu h ARG 174 CO 0.05 0.56 -0.20 0.00 -1.51 0.00 0.00 179.97 178.86 2gfu h ALA 175 N 1.33 1.17 -0.13 2.80 0.00 -1.31 0.18 119.26 123.31 2gfu h ALA 175 Ca 0.31 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2gfu h ALA 175 Cb 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2gfu h ALA 175 CO -0.13 0.53 -0.48 0.52 0.00 0.00 0.00 179.25 179.69 2gfu h MET 176 N 0.42 0.32 -0.13 0.00 2.86 -0.26 0.92 114.93 119.07 2gfu h MET 176 Ca 0.07 -0.17 -0.08 0.00 -2.06 0.00 0.00 59.70 57.45 2gfu h MET 176 Cb 0.60 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.27 2gfu h MET 176 CO 0.04 0.73 -0.24 1.96 1.06 0.00 0.00 176.91 180.46 2gfu h GLN 177 N 0.26 0.38 0.18 1.72 4.20 -0.19 0.27 115.11 121.93 2gfu h GLN 177 Ca 0.01 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 2gfu h GLN 177 Cb 0.94 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.75 2gfu h GLN 177 CO 0.08 0.84 -0.09 -0.09 -0.67 0.00 0.00 178.83 178.90 2gfu h ARG 178 N -0.03 -0.23 -0.40 1.46 2.43 -0.78 -2.10 114.38 114.74 2gfu h ARG 178 Ca 0.01 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 2gfu h ARG 178 Cb 0.82 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 2gfu h ARG 178 CO 0.05 0.11 0.21 0.00 -1.51 0.00 0.00 179.97 178.83 2gfu h ALA 179 N 0.10 0.50 -0.65 2.80 0.00 -0.91 -0.28 119.26 120.81 2gfu h ALA 179 Ca -0.02 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2gfu h ALA 179 Cb 0.45 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2gfu h ALA 179 CO 0.04 -0.15 0.10 0.22 0.00 0.00 0.00 179.25 179.46 2gfu h ASP 180 N 0.42 1.04 0.18 0.00 3.58 -1.03 0.90 116.42 121.51 2gfu h ASP 180 Ca 0.17 -0.26 -0.01 0.00 0.42 0.00 0.00 57.03 57.34 2gfu h ASP 180 Cb 0.06 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.84 2gfu h ASP 180 CO -0.11 1.04 -0.09 -0.08 -2.88 0.00 0.00 179.24 177.13 2gfu h GLU 181 N 1.00 -0.24 -0.11 0.28 4.57 -1.32 -1.06 114.58 117.70 2gfu h GLU 181 Ca 0.20 0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.32 2gfu h GLU 181 Cb 0.45 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 2gfu h GLU 181 CO 0.01 -0.03 -0.28 0.00 -1.18 0.00 0.00 179.01 177.54 2gfu h ALA 182 N 0.38 1.34 0.01 2.92 0.00 -1.03 -1.80 119.26 121.07 2gfu h ALA 182 Ca -0.02 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2gfu h ALA 182 Cb 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2gfu h ALA 182 CO 0.04 0.46 -0.01 1.25 0.00 0.00 0.00 179.25 181.00 2gfu h LEU 183 N 0.18 -0.01 0.00 0.00 7.12 -0.86 -3.33 115.31 118.40 2gfu h LEU 183 Ca 0.03 -0.49 0.00 0.00 0.13 0.00 0.00 57.88 57.55 2gfu h LEU 183 Cb 0.59 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.72 2gfu h LEU 183 CO 0.04 0.49 -0.08 -0.46 -0.13 0.00 0.00 178.44 178.30 2gfu n ASN 184 N -4.86 0.51 0.00 1.25 0.23 -0.40 -4.69 115.26 107.30 2gfu n ASN 184 Ca -0.09 0.47 0.00 0.00 -0.53 0.00 0.00 54.58 54.44 2gfu n ASN 184 Cb 0.26 -0.56 0.00 0.00 -2.08 0.00 0.00 39.78 37.39 2gfu n ASN 184 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2gfu n LYS 185 N -1.95 0.00 -4.35 -3.83 5.02 -0.69 -5.06 118.16 107.31 2gfu n LYS 185 Ca 0.06 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.15 2gfu n LYS 185 Cb 0.40 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.32 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 -0.26 1.73 0.25 4.39 2.15 -1.25 -5.06 116.67 118.63 2gfu s ASP 186 Ca 0.00 -1.63 -0.03 0.00 0.43 0.00 0.00 52.55 51.32 2gfu s ASP 186 Cb 0.00 0.46 0.49 0.00 -0.30 0.00 0.00 42.92 43.57 2gfu s ASP 186 CO 0.00 -0.95 1.74 0.11 -0.17 0.00 0.00 175.17 175.90 2gfu h LYS 187 N 2.13 0.47 -0.01 4.34 1.79 -1.91 -2.54 116.57 120.84 2gfu h LYS 187 Ca -0.31 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 2gfu h LYS 187 Cb 1.25 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.79 2gfu h LYS 187 CO 0.48 0.31 0.01 0.97 -1.08 0.00 0.00 179.45 180.14 2gfu h ILE 188 N 0.48 0.79 -0.12 1.86 2.10 -1.95 -0.20 117.51 120.48 2gfu h ILE 188 Ca 0.43 0.00 -0.09 0.00 1.08 0.00 0.00 64.86 66.28 2gfu h ILE 188 Cb 0.66 0.99 0.00 0.00 -1.09 0.00 0.00 36.82 37.38 2gfu h ILE 188 CO -0.40 0.00 -0.29 0.11 -1.08 0.00 0.00 178.15 176.49 2gfu h LYS 189 N 0.00 0.40 -0.04 2.19 6.56 -1.76 -1.91 116.57 122.01 2gfu h LYS 189 Ca 0.01 -0.28 -0.22 0.00 -1.06 0.00 0.00 60.65 59.10 2gfu h LYS 189 Cb 0.03 0.04 0.02 0.00 -0.57 0.00 0.00 32.23 31.75 2gfu h LYS 189 CO -0.00 0.89 -0.82 0.07 -2.06 0.00 0.00 179.45 177.53 2gfu h ARG 190 N -0.02 0.63 0.00 3.15 -0.00 -1.67 -3.35 114.38 113.12 2gfu h ARG 190 Ca -0.00 -0.62 -0.01 0.00 -0.00 0.00 0.00 59.98 59.35 2gfu h ARG 190 Cb 0.90 0.16 -0.00 0.00 -0.00 0.00 0.00 29.97 31.03 2gfu h ARG 190 CO 0.06 1.23 -0.05 -0.07 -0.00 0.00 0.00 179.97 181.14 2gfu h LEU 191 N 0.27 0.00 -1.01 0.08 4.07 -1.13 0.29 115.31 117.88 2gfu h LEU 191 Ca -0.09 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.83 2gfu h LEU 191 Cb 1.48 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.19 2gfu h LEU 191 CO 0.16 0.05 0.27 -0.08 -1.08 0.00 0.00 178.44 177.77 2gfu h GLU 192 N 0.00 0.98 0.00 1.13 4.81 -1.47 -3.32 114.58 116.72 2gfu h GLU 192 Ca -0.00 -0.16 -0.43 0.00 -0.13 0.00 0.00 59.36 58.64 2gfu h GLU 192 Cb 0.56 -0.17 -0.07 0.00 0.63 0.00 0.00 28.75 29.70 2gfu h GLU 192 CO 0.01 0.80 -2.45 1.28 -0.73 0.00 0.00 179.01 177.91 2gfu n LEU 193 N -4.31 2.33 0.00 1.64 4.77 -1.09 -5.02 117.00 115.32 2gfu n LEU 193 Ca 0.06 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2gfu n LEU 193 Cb 0.17 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 2gfu n LEU 193 CO 0.39 0.70 0.00 0.00 -1.33 0.00 0.00 177.39 177.15 2gfu n ALA 194 N -3.83 0.00 0.13 -1.18 0.00 0.10 -0.42 120.51 115.31 2gfu n ALA 194 Ca -0.50 0.00 0.02 0.00 0.00 0.00 0.00 53.44 52.96 2gfu n ALA 194 Cb 0.92 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.39 2gfu n ALA 194 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2gfu n VAL 195 N 0.00 0.08 0.00 0.00 0.24 -1.26 -4.95 118.33 112.44 2gfu n VAL 195 Ca 0.00 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 2gfu n VAL 195 Cb 0.00 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.40 2gfu n VAL 195 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2gfu n SER 196 N 0.17 0.00 -3.52 -1.34 2.88 0.44 -4.63 113.62 107.61 2gfu n SER 196 Ca 0.02 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.44 2gfu n SER 196 Cb 0.11 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.53 2gfu n SER 196 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2gfu s ASP 197 N 0.00 -0.44 -0.07 -3.46 2.15 -1.26 -5.12 116.67 108.47 2gfu s ASP 197 Ca 0.00 -0.03 -0.22 0.00 0.43 0.00 0.00 52.55 52.73 2gfu s ASP 197 Cb 0.00 0.53 0.05 0.00 -0.30 0.00 0.00 42.92 43.20 2gfu s ASP 197 CO 0.00 -0.86 0.49 -1.83 -0.17 0.00 0.00 175.17 172.80 2gfu s GLU 198 N -3.37 0.80 0.00 4.34 -1.05 -1.26 -4.64 118.70 113.52 2gfu s GLU 198 Ca -0.00 0.18 0.00 0.00 -0.15 0.00 0.00 54.97 55.00 2gfu s GLU 198 Cb -0.00 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 34.06 2gfu s GLU 198 CO -0.09 -0.21 0.00 -0.35 0.95 0.00 0.00 175.26 175.55 2gfu n PRO 199 N 1.48 0.00 -2.45 -4.83 -0.04 -1.26 -4.79 135.00 123.10 2gfu n PRO 199 Ca -0.19 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.91 2gfu n PRO 199 Cb 0.56 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.04 2gfu n PRO 199 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2gfu n SER 200 N 0.00 6.61 0.00 3.54 2.88 -1.26 -5.29 113.62 120.10 2gfu n SER 200 Ca 0.00 -3.74 0.00 0.00 -1.33 0.00 0.00 58.87 53.80 2gfu n SER 200 Cb 0.00 -0.95 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 2gfu n SER 200 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19