#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n1g s LEU 40 N 0.00 3.17 -0.25 1.69 1.43 -1.26 -5.16 118.68 118.30 3n1g s LEU 40 Ca 0.00 -0.07 -0.13 0.00 -1.03 0.00 0.00 54.13 52.90 3n1g s LEU 40 Cb 0.00 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 3n1g s LEU 40 CO 0.00 0.29 0.28 -0.69 0.23 0.00 0.00 176.35 176.47 3n1g s VAL 41 N -0.39 5.26 0.60 -1.59 1.01 -1.26 -5.06 120.40 118.97 3n1g s VAL 41 Ca 0.06 0.42 -0.18 0.00 0.00 0.00 0.00 61.98 62.28 3n1g s VAL 41 Cb -0.12 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 3n1g s VAL 41 CO 0.02 0.25 1.14 -2.16 0.00 0.00 0.00 175.10 174.35 3n1g s PRO 42 N 1.53 3.03 0.62 2.72 0.04 -1.26 -4.73 135.00 136.95 3n1g s PRO 42 Ca 0.12 1.58 -0.14 0.00 0.04 0.00 0.00 61.00 62.60 3n1g s PRO 42 Cb -0.15 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 3n1g s PRO 42 CO 0.08 -1.10 1.06 -0.51 0.04 0.00 0.00 177.00 176.56 3n1g s LEU 43 N -4.29 3.40 0.30 -3.56 1.43 -0.56 -4.91 118.68 110.49 3n1g s LEU 43 Ca 0.72 1.76 -0.05 0.00 -1.03 0.00 0.00 54.13 55.53 3n1g s LEU 43 Cb -0.24 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.41 3n1g s LEU 43 CO 0.34 -1.25 0.57 -0.76 0.23 0.00 0.00 176.35 175.48 3n1g s LEU 44 N -4.79 4.03 0.16 1.79 1.43 -1.26 -4.46 118.68 115.57 3n1g s LEU 44 Ca 0.62 0.73 -0.34 0.00 -1.03 0.00 0.00 54.13 54.11 3n1g s LEU 44 Cb -0.15 -3.55 -0.15 0.00 0.03 0.00 0.00 46.19 42.36 3n1g s LEU 44 CO 0.42 -0.22 1.31 0.00 0.23 0.00 0.00 176.35 178.08 3n1g n TYR 45 N -1.04 1.64 -0.61 0.29 9.36 -1.26 -1.08 117.16 124.46 3n1g n TYR 45 Ca -0.02 0.57 0.00 0.00 3.32 0.00 0.00 57.90 61.77 3n1g n TYR 45 Cb 0.54 -2.36 0.00 0.00 -0.63 0.00 0.00 39.34 36.89 3n1g n TYR 45 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3n1g n LYS 46 N 2.22 0.00 -2.37 2.98 4.76 -0.06 -5.01 118.16 120.67 3n1g n LYS 46 Ca 0.15 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.21 3n1g n LYS 46 Cb 0.25 -2.99 -0.03 0.00 -1.84 0.00 0.00 35.03 30.42 3n1g n LYS 46 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 3n1g s GLN 47 N -0.26 4.19 -0.00 1.97 0.74 -0.24 -4.75 119.66 121.31 3n1g s GLN 47 Ca 0.00 1.77 0.05 0.00 0.05 0.00 0.00 55.36 57.23 3n1g s GLN 47 Cb 0.00 -2.75 -0.01 0.00 1.10 0.00 0.00 33.01 31.35 3n1g s GLN 47 CO 0.00 -0.18 -0.15 -0.59 -0.55 0.00 0.00 175.29 173.82 3n1g s PHE 48 N -1.42 1.30 -0.07 1.67 -0.71 -1.26 -0.75 117.98 116.75 3n1g s PHE 48 Ca 0.55 -0.27 0.01 0.00 -1.04 0.00 0.00 56.93 56.18 3n1g s PHE 48 Cb -0.29 -0.82 0.02 0.00 -1.21 0.00 0.00 43.02 40.72 3n1g s PHE 48 CO 0.37 -0.01 -0.08 0.08 -1.34 0.00 0.00 175.22 174.24 3n1g s VAL 49 N -0.44 0.89 0.74 -2.49 1.01 0.47 -2.90 120.40 117.67 3n1g s VAL 49 Ca 0.05 -0.30 -0.15 0.00 0.00 0.00 0.00 61.98 61.58 3n1g s VAL 49 Cb -0.06 -0.86 0.04 0.00 0.00 0.00 0.00 36.38 35.50 3n1g s VAL 49 CO -0.00 0.31 1.22 -2.16 0.00 0.00 0.00 175.10 174.47 3n1g s PRO 50 N 1.01 2.07 -0.57 2.72 0.04 -1.26 -1.24 135.00 137.76 3n1g s PRO 50 Ca -0.09 1.80 -0.07 0.00 0.04 0.00 0.00 61.00 62.69 3n1g s PRO 50 Cb -0.15 -1.82 -0.18 0.00 0.04 0.00 0.00 34.50 32.39 3n1g s PRO 50 CO -0.00 -1.90 3.12 0.41 0.04 0.00 0.00 177.00 178.67 3n1g n GLY 51 N 0.49 3.28 3.35 0.56 0.00 -1.14 -4.78 105.19 106.94 3n1g n GLY 51 Ca 0.14 -1.20 -0.18 0.00 0.00 0.00 0.00 46.02 44.78 3n1g n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3n1g s VAL 52 N 1.68 1.05 0.59 1.61 -7.23 -1.26 -5.09 120.40 111.75 3n1g s VAL 52 Ca 0.62 -2.03 -0.20 0.00 -1.81 0.00 0.00 61.98 58.55 3n1g s VAL 52 Cb 0.24 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.73 3n1g s VAL 52 CO -0.02 -0.27 1.32 -2.65 -0.31 0.00 0.00 175.10 173.17 3n1g n PRO 53 N -0.46 1.41 -0.32 4.82 -0.02 -1.26 -4.88 135.00 134.29 3n1g n PRO 53 Ca -0.04 0.53 0.09 0.00 -2.02 0.00 0.00 63.50 62.06 3n1g n PRO 53 Cb 0.64 -2.54 0.30 0.00 -0.02 0.00 0.00 33.50 31.88 3n1g n PRO 53 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3n1g h GLU 54 N 1.00 0.84 -0.36 -0.52 4.81 -1.97 -2.48 114.58 115.90 3n1g h GLU 54 Ca -0.51 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 3n1g h GLU 54 Cb 1.32 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3n1g h GLU 54 CO 0.55 0.56 0.00 0.54 -0.73 0.00 0.00 179.01 179.93 3n1g n ARG 55 N -4.60 2.22 -2.13 1.92 1.74 -1.26 -1.46 116.66 113.09 3n1g n ARG 55 Ca 0.18 -1.86 -0.34 0.00 -0.77 0.00 0.00 57.85 55.07 3n1g n ARG 55 Cb 0.40 -1.46 0.01 0.00 -1.02 0.00 0.00 32.46 30.39 3n1g n ARG 55 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3n1g s THR 56 N -1.53 3.55 0.40 0.55 -4.23 -0.94 -2.05 115.64 111.40 3n1g s THR 56 Ca 0.36 0.83 0.07 0.00 -1.18 0.00 0.00 61.69 61.77 3n1g s THR 56 Cb 0.20 -3.32 0.26 0.00 1.34 0.00 0.00 72.50 70.98 3n1g s THR 56 CO 0.28 -0.35 2.04 0.25 -0.54 0.00 0.00 174.62 176.31 3n1g h LEU 57 N 0.74 0.47 -1.36 4.79 5.85 -1.89 -0.14 115.31 123.77 3n1g h LEU 57 Ca -0.48 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.22 3n1g h LEU 57 Cb 1.23 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3n1g h LEU 57 CO 0.57 0.36 0.00 1.23 -0.34 0.00 0.00 178.44 180.26 3n1g h GLY 58 N 0.58 0.00 0.00 3.75 0.00 -1.93 -3.41 103.07 102.06 3n1g h GLY 58 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3n1g h GLY 58 CO -0.03 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.51 3n1g n ALA 59 N -1.96 0.00 0.73 3.60 0.00 -0.16 -4.93 120.51 117.79 3n1g n ALA 59 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.57 3n1g n ALA 59 Cb 0.24 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.91 3n1g n ALA 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3n1g n SER 60 N 0.00 0.60 -0.31 0.00 7.64 -0.53 -4.64 113.62 116.38 3n1g n SER 60 Ca 0.00 0.04 0.04 0.00 1.01 0.00 0.00 58.87 59.96 3n1g n SER 60 Cb 0.00 0.13 -0.01 0.00 -1.01 0.00 0.00 64.21 63.32 3n1g n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3n1g n GLY 61 N 1.40 -1.69 3.69 0.23 0.00 -0.66 -3.74 105.19 104.42 3n1g n GLY 61 Ca 0.04 -1.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.22 3n1g n GLY 61 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3n1g n PRO 62 N -2.18 1.74 -1.72 1.61 -0.02 -0.87 -4.38 135.00 129.17 3n1g n PRO 62 Ca -0.00 0.62 -0.35 0.00 -2.02 0.00 0.00 63.50 61.75 3n1g n PRO 62 Cb 0.14 -2.33 0.06 0.00 -0.02 0.00 0.00 33.50 31.35 3n1g n PRO 62 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3n1g s ALA 63 N -1.24 2.35 -0.59 3.55 0.00 -1.26 -4.89 121.76 119.68 3n1g s ALA 63 Ca 0.64 0.88 0.05 0.00 0.00 0.00 0.00 51.96 53.52 3n1g s ALA 63 Cb -0.50 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.22 3n1g s ALA 63 CO 0.56 -1.49 0.62 0.39 0.00 0.00 0.00 175.76 175.84 3n1g n GLU 64 N -2.22 0.13 0.00 0.00 1.02 -1.26 -5.09 120.64 113.23 3n1g n GLU 64 Ca 0.13 -0.73 0.00 0.00 -0.02 0.00 0.00 57.16 56.54 3n1g n GLU 64 Cb 0.50 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 3n1g n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3n1g n GLY 65 N 0.34 3.38 3.69 0.62 0.00 -1.26 -5.04 105.19 106.92 3n1g n GLY 65 Ca 0.03 -1.70 -0.44 0.00 0.00 0.00 0.00 46.02 43.90 3n1g n GLY 65 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3n1g n ARG 66 N -0.71 2.33 -3.48 1.61 0.63 -1.26 -4.74 116.66 111.05 3n1g n ARG 66 Ca 0.00 0.84 -0.40 0.00 -0.92 0.00 0.00 57.85 57.37 3n1g n ARG 66 Cb 0.00 -2.60 -0.10 0.00 0.45 0.00 0.00 32.46 30.21 3n1g n ARG 66 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3n1g s VAL 67 N 0.56 5.24 0.16 5.15 1.01 0.22 -5.02 120.40 127.73 3n1g s VAL 67 Ca 0.73 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.81 3n1g s VAL 67 Cb -0.61 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 3n1g s VAL 67 CO 0.42 0.06 0.33 0.00 0.00 0.00 0.00 175.10 175.91 3n1g s ALA 68 N 1.88 3.89 0.49 5.51 0.00 -1.26 -4.83 121.76 127.45 3n1g s ALA 68 Ca 0.10 -0.87 -0.22 0.00 0.00 0.00 0.00 51.96 50.96 3n1g s ALA 68 Cb -0.16 -1.92 -0.08 0.00 0.00 0.00 0.00 23.12 20.96 3n1g s ALA 68 CO 0.11 0.54 1.08 -2.13 0.00 0.00 0.00 175.76 175.35 3n1g n ARG 69 N -0.44 1.36 -0.90 0.00 0.63 -1.26 -1.82 116.66 114.23 3n1g n ARG 69 Ca -0.05 0.50 0.00 0.00 -0.92 0.00 0.00 57.85 57.37 3n1g n ARG 69 Cb 0.53 -2.20 0.00 0.00 0.45 0.00 0.00 32.46 31.25 3n1g n ARG 69 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3n1g n GLY 70 N 1.11 0.34 3.90 5.14 0.00 -1.26 -5.00 105.19 109.42 3n1g n GLY 70 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3n1g n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3n1g s SER 71 N -2.20 4.93 0.21 1.61 1.04 -0.76 -4.93 113.70 113.60 3n1g s SER 71 Ca 0.00 0.83 -0.03 0.00 0.48 0.00 0.00 55.95 57.23 3n1g s SER 71 Cb 0.00 -1.48 0.18 0.00 0.10 0.00 0.00 66.02 64.82 3n1g s SER 71 CO 0.00 -1.62 1.58 -0.33 0.98 0.00 0.00 173.24 173.85 3n1g h GLU 72 N -0.79 0.64 -0.27 4.02 4.39 -1.94 -1.87 114.58 118.75 3n1g h GLU 72 Ca -0.45 -0.31 -0.05 0.00 0.34 0.00 0.00 59.36 58.89 3n1g h GLU 72 Cb 1.30 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.93 3n1g h GLU 72 CO 0.64 0.91 -0.03 0.00 -1.16 0.00 0.00 179.01 179.37 3n1g h ARG 73 N 0.53 0.42 -0.75 2.33 3.08 -1.94 -2.64 114.38 115.41 3n1g h ARG 73 Ca 0.05 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 3n1g h ARG 73 Cb 0.89 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.84 3n1g h ARG 73 CO 0.08 0.47 0.30 0.35 -1.07 0.00 0.00 179.97 180.10 3n1g h PHE 74 N 0.40 1.14 0.00 3.04 3.57 -1.65 -1.95 116.94 121.49 3n1g h PHE 74 Ca 0.09 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 3n1g h PHE 74 Cb 0.31 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 3n1g h PHE 74 CO 0.01 0.87 -0.01 0.00 -2.23 0.00 0.00 178.31 176.95 3n1g h ARG 75 N 1.08 0.00 0.00 1.11 3.08 -0.99 -1.86 114.38 116.79 3n1g h ARG 75 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3n1g h ARG 75 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3n1g h ARG 75 CO -0.02 0.01 -0.32 -0.25 -1.07 0.00 0.00 179.97 178.31 3n1g n ASP 76 N -3.13 0.42 -4.79 7.04 8.00 -0.74 -4.84 116.55 118.51 3n1g n ASP 76 Ca -0.02 0.13 -0.36 0.00 0.71 0.00 0.00 54.79 55.25 3n1g n ASP 76 Cb 0.14 -0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.08 3n1g n ASP 76 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3n1g s LEU 77 N -3.39 4.21 -0.02 0.64 1.43 -0.70 -4.72 118.68 116.14 3n1g s LEU 77 Ca 0.11 1.90 0.07 0.00 -1.03 0.00 0.00 54.13 55.18 3n1g s LEU 77 Cb 0.17 -4.14 -0.02 0.00 0.03 0.00 0.00 46.19 42.22 3n1g s LEU 77 CO 0.64 -0.26 -0.23 0.68 0.23 0.00 0.00 176.35 177.41 3n1g s VAL 78 N -1.70 2.33 -0.06 -1.59 -7.23 0.21 -4.85 120.40 107.51 3n1g s VAL 78 Ca 0.54 -1.06 -0.30 0.00 -1.81 0.00 0.00 61.98 59.36 3n1g s VAL 78 Cb -0.19 -1.85 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 3n1g s VAL 78 CO 0.24 0.55 1.04 -2.84 -0.31 0.00 0.00 175.10 173.77 3n1g s PRO 79 N -0.75 4.45 -0.38 4.82 0.02 -1.26 -2.18 135.00 139.72 3n1g s PRO 79 Ca 0.11 1.46 -0.24 0.00 0.02 0.00 0.00 61.00 62.35 3n1g s PRO 79 Cb -0.10 -3.51 0.01 0.00 0.02 0.00 0.00 34.50 30.92 3n1g s PRO 79 CO 0.00 -0.26 0.82 1.21 -0.33 0.00 0.00 177.00 178.44 3n1g s ASN 80 N 1.12 6.57 -0.20 2.53 3.84 -0.43 -4.92 114.94 123.45 3n1g s ASN 80 Ca 0.51 0.36 0.15 0.00 0.21 0.00 0.00 52.86 54.09 3n1g s ASN 80 Cb -0.21 -2.41 0.70 0.00 -0.55 0.00 0.00 41.25 38.78 3n1g s ASN 80 CO 0.22 -0.78 1.61 -1.22 -2.79 0.00 0.00 177.10 174.14 3n1g n TYR 81 N 6.55 1.58 -1.60 0.43 4.01 -1.26 -4.84 117.16 122.02 3n1g n TYR 81 Ca 0.04 -0.78 -0.44 0.00 -0.16 0.00 0.00 57.90 56.56 3n1g n TYR 81 Cb 0.48 -0.41 -0.04 0.00 -0.31 0.00 0.00 39.34 39.06 3n1g n TYR 81 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3n1g n ASN 82 N 0.21 3.37 0.30 7.72 2.85 -1.26 -4.84 115.26 123.61 3n1g n ASN 82 Ca 0.25 0.44 0.20 0.00 -0.11 0.00 0.00 54.58 55.36 3n1g n ASN 82 Cb 1.05 -1.51 1.01 0.00 1.24 0.00 0.00 39.78 41.58 3n1g n ASN 82 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3n1g h PRO 83 N 13.35 0.00 -0.18 1.20 0.11 -2.04 -2.01 132.00 142.44 3n1g h PRO 83 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3n1g h PRO 83 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3n1g h PRO 83 CO 0.96 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.50 3n1g n ASP 84 N -2.97 1.34 -4.21 -2.05 8.00 -1.26 -4.76 116.55 110.65 3n1g n ASP 84 Ca -0.02 -1.78 -0.31 0.00 0.71 0.00 0.00 54.79 53.40 3n1g n ASP 84 Cb 0.13 -0.12 -0.17 0.00 -0.02 0.00 0.00 41.12 40.94 3n1g n ASP 84 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3n1g s ILE 85 N -1.76 1.91 -0.25 0.53 1.01 -0.76 -3.94 121.20 117.95 3n1g s ILE 85 Ca 0.26 -0.96 -0.18 0.00 0.00 0.00 0.00 60.65 59.78 3n1g s ILE 85 Cb 0.14 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 3n1g s ILE 85 CO 0.20 0.53 0.53 -0.63 0.00 0.00 0.00 174.94 175.57 3n1g s ILE 86 N 0.19 5.07 -0.32 2.92 1.01 0.05 -4.89 121.20 125.22 3n1g s ILE 86 Ca -0.12 0.92 -0.11 0.00 0.00 0.00 0.00 60.65 61.33 3n1g s ILE 86 Cb -0.16 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.46 3n1g s ILE 86 CO 0.06 0.10 0.19 -0.36 0.00 0.00 0.00 174.94 174.93 3n1g s PHE 87 N 2.19 3.20 0.18 3.97 0.08 -1.26 0.13 117.98 126.47 3n1g s PHE 87 Ca 0.22 -0.42 -0.13 0.00 0.12 0.00 0.00 56.93 56.72 3n1g s PHE 87 Cb -0.16 -2.40 0.18 0.00 -0.57 0.00 0.00 43.02 40.07 3n1g s PHE 87 CO 0.09 -0.41 1.74 -0.22 -0.10 0.00 0.00 175.22 176.32 3n1g h LYS 88 N 8.41 0.31 -6.53 0.44 3.64 -1.13 -3.46 116.57 118.25 3n1g h LYS 88 Ca -0.32 -0.02 -0.51 0.00 -1.27 0.00 0.00 60.65 58.53 3n1g h LYS 88 Cb 1.15 -0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 32.80 3n1g h LYS 88 CO 0.62 0.21 -0.84 -3.47 -2.27 0.00 0.00 179.45 173.70 3n1g n ASP 89 N -5.03 -2.23 0.33 4.20 2.03 -1.26 -4.81 116.55 109.78 3n1g n ASP 89 Ca 0.05 -0.96 0.21 0.00 0.52 0.00 0.00 54.79 54.61 3n1g n ASP 89 Cb 0.21 -3.15 1.13 0.00 -0.72 0.00 0.00 41.12 38.59 3n1g n ASP 89 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3n1g h GLU 90 N -1.76 0.00 0.00 -0.67 9.09 -1.89 -0.42 114.58 118.94 3n1g h GLU 90 Ca -0.61 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.80 3n1g h GLU 90 Cb 1.38 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.48 3n1g h GLU 90 CO 0.69 0.00 0.00 0.93 0.05 0.00 0.00 179.01 180.68 3n1g h GLU 91 N 0.00 0.00 -6.33 1.06 3.07 -1.97 -3.47 114.58 106.95 3n1g h GLU 91 Ca -0.00 0.00 -0.47 0.00 -0.50 0.00 0.00 59.36 58.39 3n1g h GLU 91 Cb 0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 3n1g h GLU 91 CO 0.00 0.00 -0.86 0.09 -1.40 0.00 0.00 179.01 176.84 3n1g n ASN 92 N -2.69 -0.74 0.00 1.42 3.02 -0.17 -4.85 115.26 111.26 3n1g n ASN 92 Ca 0.02 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 3n1g n ASN 92 Cb 0.30 -3.47 0.00 0.00 -0.61 0.00 0.00 39.78 36.00 3n1g n ASN 92 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3n1g n SER 93 N -3.01 0.00 0.00 6.41 3.41 -1.26 -5.02 113.62 114.15 3n1g n SER 93 Ca -0.30 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 3n1g n SER 93 Cb 0.68 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 3n1g n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3n1g n GLY 94 N 0.00 0.49 0.36 5.00 0.00 -1.26 -4.92 105.19 104.86 3n1g n GLY 94 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3n1g n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n1g h ALA 95 N 0.00 1.44 -0.22 4.61 0.00 -1.95 -2.57 119.26 120.57 3n1g h ALA 95 Ca 0.00 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3n1g h ALA 95 Cb 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3n1g h ALA 95 CO 0.00 0.24 0.18 -0.44 0.00 0.00 0.00 179.25 179.23 3n1g h ASP 96 N 0.99 0.00 1.37 0.00 3.32 -1.92 -0.87 116.42 119.31 3n1g h ASP 96 Ca 0.47 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.52 3n1g h ASP 96 Cb 0.42 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 3n1g h ASP 96 CO -0.25 0.00 -0.04 0.03 -1.72 0.00 0.00 179.24 177.26 3n1g h ARG 97 N 0.00 0.00 -6.35 3.56 3.08 -1.78 -3.35 114.38 109.53 3n1g h ARG 97 Ca 0.10 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.61 3n1g h ARG 97 Cb 0.46 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 3n1g h ARG 97 CO -0.00 0.04 0.45 -0.51 -1.07 0.00 0.00 179.97 178.87 3n1g s LEU 98 N -6.25 4.32 0.24 3.04 1.43 -0.33 -1.32 118.68 119.81 3n1g s LEU 98 Ca 0.03 1.61 -0.22 0.00 -1.03 0.00 0.00 54.13 54.52 3n1g s LEU 98 Cb 0.08 -3.56 0.03 0.00 0.03 0.00 0.00 46.19 42.77 3n1g s LEU 98 CO 0.60 -0.33 0.80 0.00 0.23 0.00 0.00 176.35 177.65 3n1g s MET 99 N 1.41 1.62 0.82 1.70 0.23 -0.93 -2.98 119.30 121.16 3n1g s MET 99 Ca 0.51 -0.90 -0.12 0.00 -1.03 0.00 0.00 55.69 54.14 3n1g s MET 99 Cb -0.20 0.55 0.08 0.00 -1.53 0.00 0.00 34.83 33.73 3n1g s MET 99 CO 0.24 -0.74 1.18 0.95 -2.03 0.00 0.00 175.02 174.62 3n1g s THR 100 N -3.66 2.00 0.13 3.16 -4.23 -0.69 -0.62 115.64 111.74 3n1g s THR 100 Ca 0.12 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.48 3n1g s THR 100 Cb -0.05 -3.00 -0.01 0.00 1.34 0.00 0.00 72.50 70.79 3n1g s THR 100 CO 0.06 0.00 1.63 -0.08 -0.54 0.00 0.00 174.62 175.69 3n1g h GLU 101 N -1.08 0.66 -0.71 3.99 4.57 -1.92 -0.00 114.58 120.09 3n1g h GLU 101 Ca -0.46 -0.16 -0.06 0.00 -1.18 0.00 0.00 59.36 57.50 3n1g h GLU 101 Cb 1.33 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.80 3n1g h GLU 101 CO 0.65 0.68 0.19 -0.09 -1.18 0.00 0.00 179.01 179.26 3n1g h ARG 102 N 0.53 1.12 -0.56 1.92 2.43 -1.93 -0.30 114.38 117.60 3n1g h ARG 102 Ca 0.13 -0.26 -0.05 0.00 -0.81 0.00 0.00 59.98 59.00 3n1g h ARG 102 Cb 0.31 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 3n1g h ARG 102 CO 0.00 0.98 0.17 0.00 -1.51 0.00 0.00 179.97 179.61 3n1g h LYS 104 N 0.78 0.03 -0.18 0.00 3.64 -0.54 -0.03 116.57 120.27 3n1g h LYS 104 Ca 0.18 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.58 3n1g h LYS 104 Cb 0.29 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3n1g h LYS 104 CO -0.00 0.02 0.02 0.93 -2.27 0.00 0.00 179.45 178.14 3n1g h GLU 105 N 0.03 0.08 -0.26 1.90 5.08 -0.86 -1.64 114.58 118.92 3n1g h GLU 105 Ca 0.08 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 3n1g h GLU 105 Cb 0.11 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3n1g h GLU 105 CO -0.15 0.05 -0.19 0.00 -1.00 0.00 0.00 179.01 177.73 3n1g h ARG 106 N 0.08 0.58 -0.39 2.33 2.47 -1.22 -2.45 114.38 115.78 3n1g h ARG 106 Ca 0.08 -0.28 -0.04 0.00 -1.26 0.00 0.00 59.98 58.48 3n1g h ARG 106 Cb 0.09 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 3n1g h ARG 106 CO -0.12 0.86 0.06 -0.24 0.56 0.00 0.00 179.97 181.09 3n1g h VAL 107 N 0.30 1.19 -0.40 2.04 3.04 -0.95 -0.79 116.25 120.68 3n1g h VAL 107 Ca 0.05 -0.72 -0.09 0.00 -1.01 0.00 0.00 66.70 64.93 3n1g h VAL 107 Cb 0.72 0.83 -0.02 0.00 -2.01 0.00 0.00 31.29 30.82 3n1g h VAL 107 CO 0.05 0.26 -0.12 0.78 -1.01 0.00 0.00 177.57 177.53 3n1g h ASN 108 N 0.57 0.71 -0.48 3.17 2.35 -1.18 0.77 115.58 121.49 3n1g h ASN 108 Ca 0.13 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.60 3n1g h ASN 108 Cb 0.28 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 3n1g h ASN 108 CO 0.00 0.85 0.04 0.00 -1.65 0.00 0.00 177.43 176.67 3n1g h ALA 109 N 1.22 0.65 -0.67 -0.83 0.00 -1.01 -2.91 119.26 115.71 3n1g h ALA 109 Ca 0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3n1g h ALA 109 Cb 0.58 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3n1g h ALA 109 CO 0.04 0.42 0.33 1.25 0.00 0.00 0.00 179.25 181.28 3n1g h LEU 110 N 0.69 0.86 -0.82 0.00 5.85 -0.63 -2.31 115.31 118.95 3n1g h LEU 110 Ca 0.14 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.80 3n1g h LEU 110 Cb 0.45 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 3n1g h LEU 110 CO 0.02 0.73 0.53 0.00 -0.34 0.00 0.00 178.44 179.38 3n1g h ALA 111 N 1.41 1.06 -0.46 1.25 0.00 -0.69 -0.40 119.26 121.43 3n1g h ALA 111 Ca 0.23 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3n1g h ALA 111 Cb 0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3n1g h ALA 111 CO -0.03 0.39 0.11 0.82 0.00 0.00 0.00 179.25 180.54 3n1g h ILE 112 N 1.06 1.24 -0.76 0.00 2.04 -1.29 -2.82 117.51 116.98 3n1g h ILE 112 Ca 0.32 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 3n1g h ILE 112 Cb -0.05 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 3n1g h ILE 112 CO -0.09 0.29 0.42 0.00 0.00 0.00 0.00 178.15 178.77 3n1g h ALA 113 N 0.98 0.97 -0.21 1.87 0.00 -0.79 -1.53 119.26 120.55 3n1g h ALA 113 Ca 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3n1g h ALA 113 Cb 0.32 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3n1g h ALA 113 CO 0.00 0.48 0.08 0.28 0.00 0.00 0.00 179.25 180.10 3n1g h VAL 114 N 1.05 1.16 -0.45 0.00 2.07 -1.05 0.32 116.25 119.36 3n1g h VAL 114 Ca 0.27 -0.49 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 3n1g h VAL 114 Cb 0.03 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3n1g h VAL 114 CO -0.04 0.16 0.03 0.24 0.02 0.00 0.00 177.57 177.98 3n1g h MET 115 N 0.18 0.71 -0.58 1.57 2.86 -1.36 -0.85 114.93 117.47 3n1g h MET 115 Ca 0.07 -0.17 -0.10 0.00 -2.06 0.00 0.00 59.70 57.44 3n1g h MET 115 Cb 0.17 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 3n1g h MET 115 CO -0.01 0.70 -0.04 -0.91 1.06 0.00 0.00 176.91 177.71 3n1g h ASN 116 N 0.67 1.03 -0.20 1.22 2.35 -1.10 -3.03 115.58 116.53 3n1g h ASN 116 Ca 0.14 -0.31 -0.09 0.00 -0.55 0.00 0.00 56.30 55.49 3n1g h ASN 116 Cb 0.37 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 3n1g h ASN 116 CO 0.01 1.11 -0.21 -0.03 -1.65 0.00 0.00 177.43 176.65 3n1g h MET 117 N 0.94 0.51 -2.78 0.81 4.05 -0.41 -3.40 114.93 114.66 3n1g h MET 117 Ca 0.16 -0.27 -0.60 0.00 -0.28 0.00 0.00 59.70 58.71 3n1g h MET 117 Cb 0.60 0.01 -0.40 0.00 -0.80 0.00 0.00 31.60 31.02 3n1g h MET 117 CO 0.04 0.85 -0.79 -1.58 0.23 0.00 0.00 176.91 175.66 3n1g s TRP 118 N -4.31 1.89 0.26 1.39 0.51 -0.37 -5.10 118.94 113.21 3n1g s TRP 118 Ca -0.13 -2.49 -0.31 0.00 -2.12 0.00 0.00 56.10 51.05 3n1g s TRP 118 Cb 0.07 -1.66 -0.13 0.00 -0.81 0.00 0.00 33.47 30.94 3n1g s TRP 118 CO 0.79 -0.75 1.49 -2.30 -0.51 0.00 0.00 176.95 175.66 3n1g n PRO 119 N 3.09 2.30 -0.25 4.98 -0.02 -1.14 -1.42 135.00 142.53 3n1g n PRO 119 Ca 0.17 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 3n1g n PRO 119 Cb 0.39 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 3n1g n PRO 119 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3n1g n GLY 120 N 2.24 0.65 3.34 -1.23 0.00 -1.26 -5.06 105.19 103.87 3n1g n GLY 120 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3n1g n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n1g s VAL 121 N -2.52 2.15 0.40 1.61 1.01 -0.51 -4.99 120.40 117.55 3n1g s VAL 121 Ca 0.00 -1.22 0.05 0.00 0.00 0.00 0.00 61.98 60.81 3n1g s VAL 121 Cb 0.00 -1.79 -0.07 0.00 0.00 0.00 0.00 36.38 34.53 3n1g s VAL 121 CO 0.00 0.48 0.03 -0.13 0.00 0.00 0.00 175.10 175.48 3n1g s ARG 122 N -0.91 1.89 0.33 2.72 0.52 -1.26 -4.04 118.95 118.20 3n1g s ARG 122 Ca 0.11 -2.09 -0.27 0.00 -0.52 0.00 0.00 55.73 52.96 3n1g s ARG 122 Cb -0.10 -1.35 -0.09 0.00 0.52 0.00 0.00 34.95 33.93 3n1g s ARG 122 CO 0.01 -0.15 1.10 -1.17 0.02 0.00 0.00 175.30 175.11 3n1g s LEU 123 N -3.66 4.40 -0.04 2.53 2.96 -1.25 0.25 118.68 123.86 3n1g s LEU 123 Ca 0.32 2.23 0.04 0.00 -0.22 0.00 0.00 54.13 56.49 3n1g s LEU 123 Cb 0.08 -3.82 -0.00 0.00 0.50 0.00 0.00 46.19 42.95 3n1g s LEU 123 CO 0.15 -0.31 -0.14 -0.60 -1.32 0.00 0.00 176.35 174.13 3n1g s ARG 124 N -1.83 1.50 -0.22 1.98 3.52 -0.55 -0.77 118.95 122.57 3n1g s ARG 124 Ca 0.50 -0.50 -0.04 0.00 -0.13 0.00 0.00 55.73 55.56 3n1g s ARG 124 Cb -0.29 -1.32 -0.01 0.00 -1.56 0.00 0.00 34.95 31.76 3n1g s ARG 124 CO 0.38 0.19 -0.04 0.08 -0.81 0.00 0.00 175.30 175.10 3n1g s VAL 125 N 0.11 3.43 -0.05 7.11 1.01 0.12 -1.14 120.40 130.99 3n1g s VAL 125 Ca -0.04 -0.47 0.10 0.00 0.00 0.00 0.00 61.98 61.56 3n1g s VAL 125 Cb -0.11 -2.56 -0.24 0.00 0.00 0.00 0.00 36.38 33.48 3n1g s VAL 125 CO 0.02 0.42 0.63 0.35 0.00 0.00 0.00 175.10 176.52 3n1g n THR 126 N 4.73 1.64 -3.70 3.92 -2.24 -0.02 -0.60 114.28 118.01 3n1g n THR 126 Ca -0.18 -0.78 -0.15 0.00 -2.27 0.00 0.00 64.05 60.67 3n1g n THR 126 Cb 0.51 -1.15 -0.15 0.00 -2.10 0.00 0.00 70.33 67.44 3n1g n THR 126 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3n1g s GLU 127 N -2.59 0.06 0.00 -0.78 0.41 -1.22 -4.64 118.70 109.94 3n1g s GLU 127 Ca -0.07 0.49 0.00 0.00 -0.41 0.00 0.00 54.97 54.98 3n1g s GLU 127 Cb 0.08 -0.23 0.00 0.00 -1.78 0.00 0.00 34.13 32.20 3n1g s GLU 127 CO 0.82 -0.25 0.00 0.41 -0.49 0.00 0.00 175.26 175.75 3n1g n GLY 128 N 4.84 1.40 3.75 -1.39 0.00 -1.26 -1.10 105.19 111.44 3n1g n GLY 128 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3n1g n GLY 128 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3n1g s TRP 129 N 3.13 3.07 -0.03 1.61 -0.00 -1.16 -4.72 118.94 120.84 3n1g s TRP 129 Ca 0.00 1.21 0.06 0.00 -0.00 0.00 0.00 56.10 57.37 3n1g s TRP 129 Cb 0.00 -3.73 -0.01 0.00 -0.00 0.00 0.00 33.47 29.73 3n1g s TRP 129 CO 0.00 -2.22 -0.21 0.34 -0.00 0.00 0.00 176.95 174.86 3n1g s ASP 130 N 0.04 2.50 0.00 5.86 2.15 0.16 -4.19 116.67 123.19 3n1g s ASP 130 Ca 0.55 -0.39 0.00 0.00 0.43 0.00 0.00 52.55 53.13 3n1g s ASP 130 Cb -0.40 -0.41 0.00 0.00 -0.30 0.00 0.00 42.92 41.81 3n1g s ASP 130 CO 0.46 0.24 0.55 -1.84 -0.17 0.00 0.00 175.17 174.41 3n1g n GLU 131 N 2.72 0.55 0.09 4.34 0.28 -1.26 -4.61 120.64 122.75 3n1g n GLU 131 Ca -0.16 -0.69 -0.05 0.00 -0.16 0.00 0.00 57.16 56.09 3n1g n GLU 131 Cb 0.53 -0.81 0.10 0.00 1.43 0.00 0.00 31.44 32.68 3n1g n GLU 131 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3n1g h ASP 132 N 0.00 0.21 0.00 -1.84 3.32 -2.00 -3.48 116.42 112.63 3n1g h ASP 132 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3n1g h ASP 132 Cb 0.42 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3n1g h ASP 132 CO 0.00 0.82 0.00 0.61 -1.72 0.00 0.00 179.24 178.95 3n1g n GLY 133 N 0.40 0.97 0.11 2.75 0.00 -1.26 -4.98 105.19 103.18 3n1g n GLY 133 Ca -0.02 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.12 3n1g n GLY 133 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3n1g n HIS 134 N -2.06 0.00 -3.00 1.61 1.44 -1.26 -4.89 115.22 107.06 3n1g n HIS 134 Ca 0.00 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.39 3n1g n HIS 134 Cb 0.00 -0.21 -0.05 0.00 0.12 0.00 0.00 29.99 29.85 3n1g n HIS 134 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 3n1g s HIS 135 N -2.70 3.41 0.66 -1.40 3.76 -1.26 -5.04 115.29 112.72 3n1g s HIS 135 Ca 0.20 1.16 -0.17 0.00 -0.15 0.00 0.00 55.06 56.11 3n1g s HIS 135 Cb 0.19 -2.51 -0.00 0.00 1.11 0.00 0.00 32.58 31.37 3n1g s HIS 135 CO 0.57 -0.00 1.20 0.00 -0.85 0.00 0.00 174.74 175.65 3n1g s ALA 136 N -2.16 2.36 0.34 -1.40 0.00 -1.26 -4.89 121.76 114.76 3n1g s ALA 136 Ca 0.53 0.91 -0.26 0.00 0.00 0.00 0.00 51.96 53.14 3n1g s ALA 136 Cb -0.10 -3.45 -0.13 0.00 0.00 0.00 0.00 23.12 19.44 3n1g s ALA 136 CO 0.23 -1.47 0.91 0.94 0.00 0.00 0.00 175.76 176.37 3n1g n GLN 137 N -2.15 1.16 -0.95 0.00 7.27 -1.26 -1.35 117.38 120.10 3n1g n GLN 137 Ca 0.13 0.41 0.00 0.00 0.07 0.00 0.00 57.00 57.61 3n1g n GLN 137 Cb 0.50 -1.80 0.00 0.00 2.41 0.00 0.00 30.24 31.36 3n1g n GLN 137 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3n1g n ASP 138 N 1.09 -2.55 -4.76 1.69 8.00 -1.26 -5.00 116.55 113.76 3n1g n ASP 138 Ca 0.10 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.19 3n1g n ASP 138 Cb 0.35 -1.13 -0.01 0.00 -0.02 0.00 0.00 41.12 40.31 3n1g n ASP 138 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3n1g s SER 139 N -2.24 6.45 0.00 -2.24 0.15 -0.46 -4.74 113.70 110.62 3n1g s SER 139 Ca 0.00 2.92 0.25 0.00 0.70 0.00 0.00 55.95 59.82 3n1g s SER 139 Cb 0.00 -2.65 1.25 0.00 -1.71 0.00 0.00 66.02 62.91 3n1g s SER 139 CO 0.00 -0.82 1.84 0.18 1.20 0.00 0.00 173.24 175.64 3n1g n LEU 140 N 1.29 0.00 0.26 3.45 4.77 -1.26 -2.30 117.00 123.20 3n1g n LEU 140 Ca 0.04 0.31 0.12 0.00 -0.03 0.00 0.00 56.01 56.45 3n1g n LEU 140 Cb 0.39 -0.31 0.69 0.00 -2.33 0.00 0.00 43.42 41.86 3n1g n LEU 140 CO 0.63 -0.05 0.95 0.45 -1.33 0.00 0.00 177.39 178.04 3n1g h HIS 141 N 0.00 0.00 0.00 -1.77 3.86 -1.84 -1.86 115.15 113.54 3n1g h HIS 141 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3n1g h HIS 141 Cb 0.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.73 3n1g h HIS 141 CO 0.00 0.13 0.00 0.66 0.86 0.00 0.00 177.93 179.58 3n1g n TYR 142 N -3.64 0.00 -0.01 2.45 4.01 -0.97 -0.66 117.16 118.34 3n1g n TYR 142 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3n1g n TYR 142 Cb 0.26 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 3n1g n TYR 142 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3n1g n GLU 143 N -1.26 -0.18 -1.15 -0.72 1.02 -0.75 -0.61 120.64 116.98 3n1g n GLU 143 Ca 0.13 -0.70 -0.05 0.00 -0.02 0.00 0.00 57.16 56.52 3n1g n GLU 143 Cb 0.20 -1.00 -0.02 0.00 -0.02 0.00 0.00 31.44 30.60 3n1g n GLU 143 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3n1g n GLY 144 N -0.10 0.78 0.62 0.62 0.00 -1.18 -4.72 105.19 101.21 3n1g n GLY 144 Ca 0.00 -0.74 0.07 0.00 0.00 0.00 0.00 46.02 45.34 3n1g n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n1g n ARG 145 N -2.76 1.62 -3.89 1.61 1.74 -0.90 -1.70 116.66 112.37 3n1g n ARG 145 Ca -0.05 -1.62 -0.11 0.00 -0.77 0.00 0.00 57.85 55.29 3n1g n ARG 145 Cb 0.18 -1.28 -0.13 0.00 -1.02 0.00 0.00 32.46 30.21 3n1g n ARG 145 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3n1g s ALA 146 N -1.06 -0.03 0.00 7.54 0.00 -1.19 -0.73 121.76 126.29 3n1g s ALA 146 Ca 0.20 -0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.11 3n1g s ALA 146 Cb 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 3n1g s ALA 146 CO 0.17 -0.06 -0.14 -0.51 0.00 0.00 0.00 175.76 175.23 3n1g s LEU 147 N -0.41 2.07 -0.19 0.00 1.43 0.38 -4.41 118.68 117.55 3n1g s LEU 147 Ca -0.05 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 52.63 3n1g s LEU 147 Cb -0.03 -0.69 -0.05 0.00 0.03 0.00 0.00 46.19 45.46 3n1g s LEU 147 CO -0.00 0.13 0.19 -1.81 0.23 0.00 0.00 176.35 175.09 3n1g s ASP 148 N -0.56 6.29 0.11 2.29 1.01 -0.26 -0.99 116.67 124.56 3n1g s ASP 148 Ca 0.04 0.33 0.05 0.00 0.71 0.00 0.00 52.55 53.69 3n1g s ASP 148 Cb -0.06 -2.12 -0.04 0.00 1.01 0.00 0.00 42.92 41.71 3n1g s ASP 148 CO -0.00 0.15 -0.13 0.27 0.21 0.00 0.00 175.17 175.66 3n1g s ILE 149 N 0.41 1.22 0.29 0.77 -4.36 0.50 -0.84 121.20 119.18 3n1g s ILE 149 Ca 0.11 -1.63 0.03 0.00 -0.26 0.00 0.00 60.65 58.91 3n1g s ILE 149 Cb -0.12 -1.42 -0.04 0.00 1.25 0.00 0.00 42.46 42.14 3n1g s ILE 149 CO 0.00 -0.40 0.18 0.42 0.24 0.00 0.00 174.94 175.38 3n1g s THR 150 N -2.03 0.16 0.60 8.37 -4.23 -0.29 -1.42 115.64 116.80 3n1g s THR 150 Ca 0.06 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.48 3n1g s THR 150 Cb -0.05 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.26 3n1g s THR 150 CO 0.02 0.00 0.98 0.42 -0.54 0.00 0.00 174.62 175.50 3n1g s THR 151 N -3.69 4.47 0.38 3.99 -4.23 -1.26 -1.49 115.64 113.81 3n1g s THR 151 Ca 0.38 0.60 0.18 0.00 -1.18 0.00 0.00 61.69 61.67 3n1g s THR 151 Cb 0.05 -3.77 0.18 0.00 1.34 0.00 0.00 72.50 70.29 3n1g s THR 151 CO 0.19 -0.95 1.93 0.77 -0.54 0.00 0.00 174.62 176.02 3n1g h SER 152 N -0.25 0.00 0.08 3.99 4.64 -0.51 -1.86 113.55 119.65 3n1g h SER 152 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3n1g h SER 152 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3n1g h SER 152 CO 0.62 0.25 -0.02 -0.90 -0.87 0.00 0.00 176.83 175.91 3n1g n ASP 153 N -3.97 0.47 -3.32 4.97 5.68 -1.26 -4.92 116.55 114.21 3n1g n ASP 153 Ca -0.02 -1.02 -0.24 0.00 -0.50 0.00 0.00 54.79 53.01 3n1g n ASP 153 Cb 0.33 -0.03 0.01 0.00 -1.14 0.00 0.00 41.12 40.29 3n1g n ASP 153 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3n1g n ARG 154 N -0.70 -4.02 -2.84 0.11 3.00 -0.70 -4.92 116.66 106.60 3n1g n ARG 154 Ca 0.21 0.61 -0.43 0.00 -0.01 0.00 0.00 57.85 58.23 3n1g n ARG 154 Cb 0.21 -5.38 -0.04 0.00 0.00 0.00 0.00 32.46 27.25 3n1g n ARG 154 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3n1g s ASP 155 N -2.77 6.21 0.59 0.55 2.15 -1.26 -4.91 116.67 117.23 3n1g s ASP 155 Ca 0.40 -0.80 0.31 0.00 0.43 0.00 0.00 52.55 52.88 3n1g s ASP 155 Cb -0.20 -2.43 1.82 0.00 -0.30 0.00 0.00 42.92 41.81 3n1g s ASP 155 CO 0.49 -1.41 2.24 0.03 -0.17 0.00 0.00 175.17 176.35 3n1g h ARG 156 N 9.53 0.00 0.00 4.34 3.08 -1.91 -0.67 114.38 128.75 3n1g h ARG 156 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 3n1g h ARG 156 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3n1g h ARG 156 CO 1.16 0.02 0.01 -0.91 -1.07 0.00 0.00 179.97 179.18 3n1g h ASN 157 N 0.00 0.00 0.59 7.04 4.21 -1.97 -1.35 115.58 124.11 3n1g h ASN 157 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3n1g h ASN 157 Cb 0.06 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.26 3n1g h ASN 157 CO 0.00 0.00 -0.74 0.29 -1.29 0.00 0.00 177.43 175.69 3n1g n LYS 158 N -2.90 0.21 -0.09 0.81 5.02 -0.26 -4.56 118.16 116.39 3n1g n LYS 158 Ca -0.03 0.03 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 3n1g n LYS 158 Cb 0.07 -1.60 0.14 0.00 -0.02 0.00 0.00 35.03 33.62 3n1g n LYS 158 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3n1g h TYR 159 N 0.00 0.84 -0.87 2.13 -1.99 -1.36 0.96 116.97 116.67 3n1g h TYR 159 Ca 0.00 -0.14 -0.01 0.00 2.00 0.00 0.00 58.73 60.57 3n1g h TYR 159 Cb 0.67 -0.22 -0.04 0.00 2.00 0.00 0.00 36.73 39.14 3n1g h TYR 159 CO 0.00 0.82 0.49 0.78 -0.00 0.00 0.00 178.16 180.25 3n1g h GLY 160 N 0.97 1.30 1.25 3.88 0.00 -1.78 1.00 103.07 109.68 3n1g h GLY 160 Ca 0.12 -0.58 -0.23 0.00 0.00 0.00 0.00 47.33 46.65 3n1g h GLY 160 CO 0.03 0.55 -0.84 -2.00 0.00 0.00 0.00 176.54 174.29 3n1g h LEU 161 N 1.22 0.88 -0.64 3.11 5.85 -1.71 -1.33 115.31 122.69 3n1g h LEU 161 Ca 0.31 -0.61 0.12 0.00 0.84 0.00 0.00 57.88 58.54 3n1g h LEU 161 Cb 0.01 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 40.69 3n1g h LEU 161 CO -0.05 1.40 0.19 0.25 -0.34 0.00 0.00 178.44 179.90 3n1g h LEU 162 N 0.47 0.12 -0.56 2.25 5.85 -0.53 0.18 115.31 123.10 3n1g h LEU 162 Ca -0.07 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3n1g h LEU 162 Cb 1.47 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.59 3n1g h LEU 162 CO 0.17 0.06 0.30 0.00 -0.34 0.00 0.00 178.44 178.63 3n1g h ALA 163 N 1.48 0.72 -0.66 1.25 0.00 -0.59 -0.39 119.26 121.08 3n1g h ALA 163 Ca 0.34 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 3n1g h ALA 163 Cb 0.49 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3n1g h ALA 163 CO -0.38 0.24 0.11 -0.09 0.00 0.00 0.00 179.25 179.12 3n1g h ARG 164 N 0.75 1.09 -0.59 0.00 9.65 -0.79 -2.17 114.38 122.32 3n1g h ARG 164 Ca 0.20 -0.29 0.03 0.00 -1.10 0.00 0.00 59.98 58.82 3n1g h ARG 164 Cb 0.05 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.47 3n1g h ARG 164 CO -0.03 1.00 0.39 -0.07 2.80 0.00 0.00 179.97 184.06 3n1g h LEU 165 N 1.02 0.60 -0.74 3.80 3.38 -0.02 -1.30 115.31 122.06 3n1g h LEU 165 Ca 0.20 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 3n1g h LEU 165 Cb 0.44 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3n1g h LEU 165 CO 0.01 0.42 -0.43 0.00 0.09 0.00 0.00 178.44 178.53 3n1g h ALA 166 N 1.66 0.91 -0.34 1.53 0.00 -0.47 0.43 119.26 122.99 3n1g h ALA 166 Ca 0.23 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3n1g h ALA 166 Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3n1g h ALA 166 CO -0.06 0.64 0.19 0.28 0.00 0.00 0.00 179.25 180.30 3n1g h VAL 167 N 0.37 1.13 0.00 0.00 2.07 -0.94 -2.44 116.25 116.44 3n1g h VAL 167 Ca 0.03 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 3n1g h VAL 167 Cb 0.90 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3n1g h VAL 167 CO 0.08 0.13 -0.26 -0.33 0.02 0.00 0.00 177.57 177.21 3n1g h GLU 168 N 0.43 0.00 0.00 1.57 4.39 -0.81 -1.73 114.58 118.43 3n1g h GLU 168 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 3n1g h GLU 168 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3n1g h GLU 168 CO -0.02 0.26 0.00 0.00 -1.16 0.00 0.00 179.01 178.09 3n1g n ALA 169 N -2.49 2.29 0.00 3.43 0.00 0.10 -4.90 120.51 118.94 3n1g n ALA 169 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3n1g n ALA 169 Cb 0.31 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3n1g n ALA 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n1g n GLY 170 N 1.03 1.06 3.76 0.00 0.00 -0.65 -4.72 105.19 105.67 3n1g n GLY 170 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3n1g n GLY 170 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3n1g s PHE 171 N -2.00 2.88 -0.31 1.61 0.08 -0.95 -4.89 117.98 114.40 3n1g s PHE 171 Ca 0.00 1.10 0.27 0.00 0.12 0.00 0.00 56.93 58.42 3n1g s PHE 171 Cb 0.00 -3.88 0.84 0.00 -0.57 0.00 0.00 43.02 39.41 3n1g s PHE 171 CO 0.00 -2.73 1.77 -0.44 -0.10 0.00 0.00 175.22 173.72 3n1g h ASP 172 N 4.21 0.00 -3.60 1.36 3.32 -1.61 -3.44 116.42 116.67 3n1g h ASP 172 Ca -0.48 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.47 3n1g h ASP 172 Cb 1.22 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.53 3n1g h ASP 172 CO 0.72 0.00 -0.20 0.86 -1.72 0.00 0.00 179.24 178.90 3n1g s TRP 173 N -3.36 -0.58 -0.07 4.55 -0.00 -0.93 -3.97 118.94 114.58 3n1g s TRP 173 Ca 0.05 1.33 0.01 0.00 -0.00 0.00 0.00 56.10 57.49 3n1g s TRP 173 Cb 0.08 0.24 0.02 0.00 -0.00 0.00 0.00 33.47 33.81 3n1g s TRP 173 CO 0.58 -0.30 -0.07 0.08 -0.00 0.00 0.00 176.95 177.24 3n1g s VAL 174 N 0.76 0.81 -0.11 5.86 1.01 -0.38 -1.29 120.40 127.05 3n1g s VAL 174 Ca -0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 3n1g s VAL 174 Cb -0.05 -0.81 0.03 0.00 0.00 0.00 0.00 36.38 35.55 3n1g s VAL 174 CO -0.06 0.30 -0.04 -0.47 0.00 0.00 0.00 175.10 174.84 3n1g s TYR 175 N 1.10 1.16 -1.28 5.22 5.04 0.49 -0.40 117.35 128.69 3n1g s TYR 175 Ca -0.07 -0.57 -0.18 0.00 -2.44 0.00 0.00 57.07 53.80 3n1g s TYR 175 Cb -0.14 -1.06 0.03 0.00 0.35 0.00 0.00 41.96 41.13 3n1g s TYR 175 CO -0.01 -0.46 1.85 0.98 -1.34 0.00 0.00 175.55 176.57 3n1g n TYR 176 N 5.02 4.02 0.08 4.97 4.19 0.07 -0.71 117.16 134.81 3n1g n TYR 176 Ca -0.10 -2.56 -0.05 0.00 3.31 0.00 0.00 57.90 58.50 3n1g n TYR 176 Cb 0.50 -2.58 0.10 0.00 0.49 0.00 0.00 39.34 37.85 3n1g n TYR 176 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 3n1g h GLU 177 N 7.75 0.23 -3.99 2.98 4.81 -1.85 -0.13 114.58 124.38 3n1g h GLU 177 Ca 0.42 -0.17 -0.10 0.00 -0.13 0.00 0.00 59.36 59.38 3n1g h GLU 177 Cb 0.84 0.03 -0.14 0.00 0.63 0.00 0.00 28.75 30.11 3n1g h GLU 177 CO 1.50 0.79 -0.49 0.45 -0.73 0.00 0.00 179.01 180.54 3n1g s SER 178 N -6.90 0.25 0.31 1.04 0.15 -1.09 -4.83 113.70 102.63 3n1g s SER 178 Ca -0.04 -0.81 0.25 0.00 0.70 0.00 0.00 55.95 56.05 3n1g s SER 178 Cb 0.12 0.30 1.10 0.00 -1.71 0.00 0.00 66.02 65.82 3n1g s SER 178 CO 0.80 -0.70 1.74 0.03 1.20 0.00 0.00 173.24 176.32 3n1g h ARG 179 N 2.88 0.00 -0.01 5.44 3.08 -2.02 -3.23 114.38 120.52 3n1g h ARG 179 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.71 3n1g h ARG 179 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3n1g h ARG 179 CO 0.59 0.00 -0.80 0.09 -1.07 0.00 0.00 179.97 178.79 3n1g n ASN 180 N -2.34 1.34 -3.59 7.04 5.03 -1.26 -4.93 115.26 116.55 3n1g n ASN 180 Ca 0.01 -1.17 -0.07 0.00 0.87 0.00 0.00 54.58 54.23 3n1g n ASN 180 Cb 0.19 0.82 -0.02 0.00 -1.02 0.00 0.00 39.78 39.75 3n1g n ASN 180 CO 0.00 0.00 0.00 -1.38 -1.83 0.00 0.00 177.26 174.05 3n1g s HIS 181 N -2.77 -0.27 -0.05 3.10 -3.43 -1.22 -4.87 115.29 105.78 3n1g s HIS 181 Ca 0.11 0.08 0.00 0.00 -0.80 0.00 0.00 55.06 54.45 3n1g s HIS 181 Cb 0.16 0.57 -0.03 0.00 -1.43 0.00 0.00 32.58 31.85 3n1g s HIS 181 CO 0.75 -0.64 -0.02 0.08 -2.00 0.00 0.00 174.74 172.90 3n1g s VAL 182 N -3.17 4.05 -0.18 -5.38 1.01 -0.50 -2.66 120.40 113.57 3n1g s VAL 182 Ca 0.08 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.55 3n1g s VAL 182 Cb -0.01 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 3n1g s VAL 182 CO -0.05 0.53 0.04 -2.28 0.00 0.00 0.00 175.10 173.34 3n1g s HIS 183 N -0.92 3.18 0.05 5.22 5.04 0.11 -0.37 115.29 127.59 3n1g s HIS 183 Ca 0.15 -0.06 0.05 0.00 -1.54 0.00 0.00 55.06 53.65 3n1g s HIS 183 Cb -0.11 -2.07 -0.02 0.00 0.04 0.00 0.00 32.58 30.42 3n1g s HIS 183 CO 0.04 0.06 -0.14 0.14 -2.34 0.00 0.00 174.74 172.50 3n1g s VAL 184 N 0.50 1.07 0.16 0.89 -7.23 -0.16 -0.38 120.40 115.25 3n1g s VAL 184 Ca 0.02 -1.07 -0.09 0.00 -1.81 0.00 0.00 61.98 59.02 3n1g s VAL 184 Cb -0.13 -0.99 -0.01 0.00 0.56 0.00 0.00 36.38 35.81 3n1g s VAL 184 CO 0.01 -0.08 0.28 -0.94 -0.31 0.00 0.00 175.10 174.07 3n1g s SER 185 N -1.31 0.03 0.15 4.85 1.04 -0.41 -0.47 113.70 117.57 3n1g s SER 185 Ca -0.00 -0.83 0.06 0.00 0.48 0.00 0.00 55.95 55.66 3n1g s SER 185 Cb -0.08 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 3n1g s SER 185 CO 0.01 -0.88 -0.14 0.68 0.98 0.00 0.00 173.24 173.89 3n1g s VAL 186 N -3.95 1.45 0.86 5.02 -7.23 0.09 -1.55 120.40 115.08 3n1g s VAL 186 Ca 0.16 -1.89 -0.12 0.00 -1.81 0.00 0.00 61.98 58.31 3n1g s VAL 186 Cb 0.03 -1.72 0.11 0.00 0.56 0.00 0.00 36.38 35.36 3n1g s VAL 186 CO -0.01 -0.49 1.14 0.29 -0.31 0.00 0.00 175.10 175.71 3n1g n LYS 187 N 0.22 -0.09 -1.15 4.82 5.02 -1.25 -4.83 118.16 120.89 3n1g n LYS 187 Ca -0.13 0.05 -0.33 0.00 -2.02 0.00 0.00 58.31 55.88 3n1g n LYS 187 Cb 0.58 -2.38 0.12 0.00 -0.02 0.00 0.00 35.03 33.33 3n1g n LYS 187 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3n1g s ALA 188 N -2.33 1.91 -2.00 7.82 0.00 -1.26 -4.88 121.76 121.01 3n1g s ALA 188 Ca 0.70 0.71 0.24 0.00 0.00 0.00 0.00 51.96 53.61 3n1g s ALA 188 Cb -0.26 -3.44 1.41 0.00 0.00 0.00 0.00 23.12 20.82 3n1g s ALA 188 CO 0.54 -2.18 1.78 -0.25 0.00 0.00 0.00 175.76 175.65