#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ajw n VAL 61 N 0.00 0.00 -3.76 0.00 0.24 -1.26 -5.04 118.33 108.51 1ajw n VAL 61 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.08 1ajw n VAL 61 Cb 0.00 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.39 1ajw n VAL 61 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1ajw n SER 62 N -0.61 -0.98 -4.81 -1.34 7.64 -1.26 -4.97 113.62 107.30 1ajw n SER 62 Ca 0.00 -0.86 -0.28 0.00 1.01 0.00 0.00 58.87 58.74 1ajw n SER 62 Cb 0.00 -3.84 0.10 0.00 -1.01 0.00 0.00 64.21 59.46 1ajw n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ajw s ALA 63 N -3.73 2.75 -0.89 -0.43 0.00 -1.26 -5.02 121.76 113.19 1ajw s ALA 63 Ca 0.01 -0.81 -0.03 0.00 0.00 0.00 0.00 51.96 51.12 1ajw s ALA 63 Cb -0.00 -2.82 0.22 0.00 0.00 0.00 0.00 23.12 20.51 1ajw s ALA 63 CO 0.83 -1.67 0.78 -0.51 0.00 0.00 0.00 175.76 175.19 1ajw s ASP 64 N -4.60 6.09 0.18 0.00 1.11 -1.26 -4.87 116.67 113.32 1ajw s ASP 64 Ca 0.63 -3.58 -0.02 0.00 0.18 0.00 0.00 52.55 49.76 1ajw s ASP 64 Cb -0.10 -1.95 0.08 0.00 1.07 0.00 0.00 42.92 42.02 1ajw s ASP 64 CO 0.48 -0.23 1.46 1.55 1.18 0.00 0.00 175.17 179.61 1ajw h PRO 65 N 6.26 0.45 -0.60 8.23 0.13 -2.04 -3.44 132.00 141.00 1ajw h PRO 65 Ca 0.14 -0.34 0.17 0.00 -0.87 0.00 0.00 66.00 65.10 1ajw h PRO 65 Cb 0.84 0.06 -0.21 0.00 0.13 0.00 0.00 31.00 31.83 1ajw h PRO 65 CO 0.85 0.96 -0.06 1.21 -0.23 0.00 0.00 178.00 180.73 1ajw s ASN 66 N -6.96 -0.86 -0.66 1.44 3.84 -1.26 -5.11 114.94 105.37 1ajw s ASN 66 Ca -0.06 0.43 -0.08 0.00 0.21 0.00 0.00 52.86 53.36 1ajw s ASN 66 Cb 0.11 1.68 0.17 0.00 -0.55 0.00 0.00 41.25 42.66 1ajw s ASN 66 CO 0.84 -0.16 0.53 -0.69 -2.79 0.00 0.00 177.10 174.83 1ajw s VAL 67 N 2.91 4.46 1.18 -5.21 1.01 -1.26 -5.07 120.40 118.41 1ajw s VAL 67 Ca 0.10 -2.56 -0.20 0.00 0.00 0.00 0.00 61.98 59.33 1ajw s VAL 67 Cb -0.11 -3.85 0.29 0.00 0.00 0.00 0.00 36.38 32.71 1ajw s VAL 67 CO -0.17 -0.91 1.19 -2.16 0.00 0.00 0.00 175.10 173.05 1ajw s PRO 68 N 0.30 -1.05 0.14 2.72 0.04 -1.26 -5.05 135.00 130.84 1ajw s PRO 68 Ca 0.15 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 60.87 1ajw s PRO 68 Cb -0.18 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1ajw s PRO 68 CO -0.05 -3.55 0.00 -1.71 0.04 0.00 0.00 177.00 171.73 1ajw n ASN 69 N -4.59 0.00 -1.62 6.66 4.05 -1.26 -4.67 115.26 113.83 1ajw n ASN 69 Ca 0.16 0.23 0.03 0.00 0.45 0.00 0.00 54.58 55.45 1ajw n ASN 69 Cb 0.60 0.16 0.02 0.00 1.23 0.00 0.00 39.78 41.79 1ajw n ASN 69 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1ajw n VAL 70 N -3.01 0.12 -2.16 3.44 0.31 -1.21 -3.23 118.33 112.59 1ajw n VAL 70 Ca 0.00 -1.16 -0.41 0.00 -0.01 0.00 0.00 64.34 62.76 1ajw n VAL 70 Cb 0.00 1.02 -0.03 0.00 -0.91 0.00 0.00 33.84 33.92 1ajw n VAL 70 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1ajw s VAL 71 N -0.35 2.89 0.08 2.52 1.01 -1.26 -4.73 120.40 120.56 1ajw s VAL 71 Ca 0.33 0.83 -0.31 0.00 0.00 0.00 0.00 61.98 62.83 1ajw s VAL 71 Cb 0.38 -3.53 -0.09 0.00 0.00 0.00 0.00 36.38 33.14 1ajw s VAL 71 CO -0.16 0.17 1.74 -0.69 0.00 0.00 0.00 175.10 176.17 1ajw s VAL 72 N -0.70 2.90 -0.08 2.92 1.01 -1.26 -3.23 120.40 121.96 1ajw s VAL 72 Ca 0.52 0.31 -0.04 0.00 0.00 0.00 0.00 61.98 62.77 1ajw s VAL 72 Cb -0.39 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 1ajw s VAL 72 CO 0.47 -0.00 -0.08 0.71 0.00 0.00 0.00 175.10 176.20 1ajw h THR 73 N 4.88 0.00 -3.99 3.92 1.35 -1.25 -3.40 112.91 114.42 1ajw h THR 73 Ca -0.44 -0.65 -0.36 0.00 -0.55 0.00 0.00 66.41 64.40 1ajw h THR 73 Cb 1.21 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 67.49 1ajw h THR 73 CO 0.94 0.00 -0.59 -0.60 -0.25 0.00 0.00 175.52 175.02 1ajw s ARG 74 N -1.67 1.47 -0.07 4.72 3.52 -1.19 -0.50 118.95 125.23 1ajw s ARG 74 Ca -0.07 -1.81 -0.03 0.00 -0.13 0.00 0.00 55.73 53.69 1ajw s ARG 74 Cb 0.01 -0.10 0.04 0.00 -1.56 0.00 0.00 34.95 33.34 1ajw s ARG 74 CO 0.10 -0.39 0.14 -1.17 -0.81 0.00 0.00 175.30 173.17 1ajw s LEU 75 N -3.32 0.31 0.23 -0.88 0.20 -0.38 -2.11 118.68 112.74 1ajw s LEU 75 Ca 0.37 0.29 0.08 0.00 0.69 0.00 0.00 54.13 55.56 1ajw s LEU 75 Cb 0.06 0.27 -0.04 0.00 -0.43 0.00 0.00 46.19 46.05 1ajw s LEU 75 CO 0.15 -0.20 0.07 -0.89 -0.29 0.00 0.00 176.35 175.19 1ajw s THR 76 N 1.78 3.88 -0.26 3.68 2.01 -0.76 0.61 115.64 126.59 1ajw s THR 76 Ca -0.02 -1.60 -0.03 0.00 0.31 0.00 0.00 61.69 60.35 1ajw s THR 76 Cb -0.12 -3.05 0.10 0.00 0.01 0.00 0.00 72.50 69.44 1ajw s THR 76 CO -0.06 -0.29 0.17 -0.76 -0.69 0.00 0.00 174.62 173.00 1ajw s LEU 77 N -3.52 0.24 0.37 4.42 1.43 -1.05 -2.79 118.68 117.77 1ajw s LEU 77 Ca 0.31 -0.90 0.07 0.00 -1.03 0.00 0.00 54.13 52.58 1ajw s LEU 77 Cb -0.08 -0.04 -0.02 0.00 0.03 0.00 0.00 46.19 46.08 1ajw s LEU 77 CO 0.21 -0.40 0.35 -0.69 0.23 0.00 0.00 176.35 176.06 1ajw s VAL 78 N 2.20 3.26 0.00 -1.59 1.01 -1.17 -3.16 120.40 120.95 1ajw s VAL 78 Ca 0.08 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1ajw s VAL 78 Cb -0.15 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1ajw s VAL 78 CO -0.28 -0.11 0.00 0.00 0.00 0.00 0.00 175.10 174.72 1ajw n SER 80 N 0.00 0.49 -2.74 0.00 3.41 -1.26 -4.64 113.62 108.87 1ajw n SER 80 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 1ajw n SER 80 Cb 0.00 1.01 0.04 0.00 -0.26 0.00 0.00 64.21 65.00 1ajw n SER 80 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ajw n THR 81 N -2.65 1.34 -2.79 6.66 -2.24 -1.26 -5.10 114.28 108.23 1ajw n THR 81 Ca -0.28 -3.07 -0.25 0.00 -2.27 0.00 0.00 64.05 58.18 1ajw n THR 81 Cb 1.06 0.98 0.01 0.00 -2.10 0.00 0.00 70.33 70.28 1ajw n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ajw s ALA 82 N -3.68 3.56 0.17 6.98 0.00 -1.26 -4.67 121.76 122.87 1ajw s ALA 82 Ca 0.29 -0.85 0.21 0.00 0.00 0.00 0.00 51.96 51.61 1ajw s ALA 82 Cb 0.35 -2.34 0.83 0.00 0.00 0.00 0.00 23.12 21.96 1ajw s ALA 82 CO -0.02 -0.46 1.80 -1.00 0.00 0.00 0.00 175.76 176.07 1ajw h PRO 83 N 0.24 0.00 0.00 0.00 0.13 -1.96 -3.48 132.00 126.92 1ajw h PRO 83 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ajw h PRO 83 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ajw h PRO 83 CO 0.59 0.29 0.00 0.41 -0.23 0.00 0.00 178.00 179.07 1ajw n GLY 84 N 0.12 1.84 3.55 1.56 0.00 -1.26 -5.07 105.19 105.93 1ajw n GLY 84 Ca -0.00 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.65 1ajw n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ajw s PRO 85 N -2.00 2.72 -0.14 1.61 0.04 -1.26 -4.80 135.00 131.18 1ajw s PRO 85 Ca 0.00 0.48 -0.29 0.00 0.04 0.00 0.00 61.00 61.22 1ajw s PRO 85 Cb 0.00 -4.35 -0.05 0.00 0.04 0.00 0.00 34.50 30.13 1ajw s PRO 85 CO 0.00 -2.64 1.86 -0.51 0.04 0.00 0.00 177.00 175.76 1ajw s LEU 86 N 8.53 3.96 -0.54 -3.56 1.43 -1.19 -4.60 118.68 122.71 1ajw s LEU 86 Ca 0.62 2.02 -0.17 0.00 -1.03 0.00 0.00 54.13 55.57 1ajw s LEU 86 Cb -0.12 -3.53 0.11 0.00 0.03 0.00 0.00 46.19 42.68 1ajw s LEU 86 CO 0.20 -1.35 0.56 -1.61 0.23 0.00 0.00 176.35 174.38 1ajw s GLU 87 N 4.98 3.02 -0.12 1.70 2.02 -1.25 -2.54 118.70 126.51 1ajw s GLU 87 Ca 0.83 -1.46 -0.27 0.00 0.02 0.00 0.00 54.97 54.09 1ajw s GLU 87 Cb -0.32 -4.25 -0.02 0.00 0.10 0.00 0.00 34.13 29.64 1ajw s GLU 87 CO 0.34 -1.35 0.90 -1.17 0.02 0.00 0.00 175.26 174.00 1ajw s LEU 88 N 2.04 4.23 0.09 1.80 0.20 0.20 -4.83 118.68 122.42 1ajw s LEU 88 Ca 0.07 1.35 -0.29 0.00 0.69 0.00 0.00 54.13 55.95 1ajw s LEU 88 Cb -0.26 -3.37 -0.06 0.00 -0.43 0.00 0.00 46.19 42.07 1ajw s LEU 88 CO 0.05 -0.38 0.92 -0.62 -0.29 0.00 0.00 176.35 176.04 1ajw s ASP 89 N 1.08 7.43 -0.39 3.68 2.15 -1.26 -1.25 116.67 128.12 1ajw s ASP 89 Ca 0.43 1.71 0.13 0.00 0.43 0.00 0.00 52.55 55.25 1ajw s ASP 89 Cb -0.18 -2.56 0.40 0.00 -0.30 0.00 0.00 42.92 40.28 1ajw s ASP 89 CO 0.16 -0.06 0.88 0.18 -0.17 0.00 0.00 175.17 176.16 1ajw n LEU 90 N 2.85 1.95 0.00 -1.34 4.77 0.34 -4.88 117.00 120.68 1ajw n LEU 90 Ca 0.01 -4.64 0.00 0.00 -0.03 0.00 0.00 56.01 51.36 1ajw n LEU 90 Cb 0.49 0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 1ajw n LEU 90 CO 0.50 2.02 0.00 0.35 -1.33 0.00 0.00 177.39 178.94 1ajw n THR 91 N 0.00 0.00 0.00 -5.08 -2.24 -1.26 -4.23 114.28 101.48 1ajw n THR 91 Ca 0.21 0.24 0.00 0.00 -2.27 0.00 0.00 64.05 62.23 1ajw n THR 91 Cb 0.69 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 1ajw n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ajw n GLY 92 N 2.38 0.04 3.55 3.38 0.00 -1.26 -4.90 105.19 108.39 1ajw n GLY 92 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1ajw n GLY 92 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ajw n ASP 93 N -1.41 1.81 -0.03 1.61 9.92 -1.26 -4.69 116.55 122.50 1ajw n ASP 93 Ca 0.00 -1.19 -0.18 0.00 -0.53 0.00 0.00 54.79 52.89 1ajw n ASP 93 Cb 0.00 -1.60 -0.14 0.00 -0.64 0.00 0.00 41.12 38.74 1ajw n ASP 93 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1ajw n LEU 94 N 17.53 2.25 0.30 0.64 4.77 -1.26 -4.04 117.00 137.18 1ajw n LEU 94 Ca 0.45 0.18 0.19 0.00 -0.03 0.00 0.00 56.01 56.81 1ajw n LEU 94 Cb 0.45 -0.77 1.03 0.00 -2.33 0.00 0.00 43.42 41.79 1ajw n LEU 94 CO 0.61 0.77 1.10 1.05 -1.33 0.00 0.00 177.39 179.59 1ajw h GLU 95 N 0.04 0.00 -0.15 3.23 -0.00 -1.94 -2.41 114.58 113.35 1ajw h GLU 95 Ca -0.43 0.00 0.04 0.00 -0.00 0.00 0.00 59.36 58.97 1ajw h GLU 95 Cb 2.02 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.76 1ajw h GLU 95 CO 0.06 0.00 0.34 0.66 -0.00 0.00 0.00 179.01 180.06 1ajw h SER 96 N 0.00 0.00 0.02 3.06 4.64 -1.96 0.15 113.55 119.46 1ajw h SER 96 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1ajw h SER 96 Cb 0.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1ajw h SER 96 CO 0.00 0.00 -0.03 -0.26 -0.87 0.00 0.00 176.83 175.67 1ajw h PHE 97 N 0.00 0.03 0.00 4.77 0.04 -1.72 -1.46 116.94 118.61 1ajw h PHE 97 Ca 0.07 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 1ajw h PHE 97 Cb 0.75 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.89 1ajw h PHE 97 CO 0.00 0.06 -0.03 0.87 -0.60 0.00 0.00 178.31 178.61 1ajw h LYS 98 N 0.03 0.00 -0.78 1.51 1.57 -1.21 -1.21 116.57 116.48 1ajw h LYS 98 Ca 0.01 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1ajw h LYS 98 Cb 0.07 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.32 1ajw h LYS 98 CO 0.00 0.03 0.13 1.63 -0.57 0.00 0.00 179.45 180.67 1ajw n LYS 99 N -4.03 3.33 -3.61 3.15 5.02 -0.55 -4.85 118.16 116.63 1ajw n LYS 99 Ca -0.03 -2.27 -0.01 0.00 -2.02 0.00 0.00 58.31 53.98 1ajw n LYS 99 Cb 0.11 -2.01 -0.06 0.00 -0.02 0.00 0.00 35.03 33.05 1ajw n LYS 99 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1ajw s GLN 100 N -2.32 0.30 0.55 1.97 -2.07 -0.46 -5.14 119.66 112.50 1ajw s GLN 100 Ca 0.40 0.56 0.04 0.00 -1.82 0.00 0.00 55.36 54.53 1ajw s GLN 100 Cb 0.32 0.11 0.03 0.00 -1.09 0.00 0.00 33.01 32.37 1ajw s GLN 100 CO 0.11 -0.07 0.28 -1.54 -1.32 0.00 0.00 175.29 172.75 1ajw s SER 101 N 1.43 4.46 -0.37 12.60 1.04 -1.26 -4.50 113.70 127.10 1ajw s SER 101 Ca -0.08 -1.43 -0.04 0.00 0.48 0.00 0.00 55.95 54.88 1ajw s SER 101 Cb -0.04 0.57 0.08 0.00 0.10 0.00 0.00 66.02 66.73 1ajw s SER 101 CO -0.14 -1.08 0.15 -0.36 0.98 0.00 0.00 173.24 172.79 1ajw s PHE 102 N -2.83 3.41 0.27 5.02 0.40 -0.05 -4.83 117.98 119.36 1ajw s PHE 102 Ca 0.22 -1.95 -0.29 0.00 -0.60 0.00 0.00 56.93 54.31 1ajw s PHE 102 Cb -0.01 -2.76 -0.09 0.00 0.51 0.00 0.00 43.02 40.67 1ajw s PHE 102 CO 0.14 -0.87 1.09 0.08 0.70 0.00 0.00 175.22 176.36 1ajw s VAL 103 N 1.27 3.54 0.15 -0.44 1.01 -1.25 0.00 120.40 124.68 1ajw s VAL 103 Ca 0.02 1.54 -0.17 0.00 0.00 0.00 0.00 61.98 63.37 1ajw s VAL 103 Cb -0.22 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.22 1ajw s VAL 103 CO -0.01 0.36 0.44 -0.22 0.00 0.00 0.00 175.10 175.67 1ajw s LEU 104 N -1.36 0.27 0.51 3.92 0.20 0.57 -4.91 118.68 117.88 1ajw s LEU 104 Ca 0.45 -0.36 -0.18 0.00 0.69 0.00 0.00 54.13 54.72 1ajw s LEU 104 Cb -0.31 1.94 -0.07 0.00 -0.43 0.00 0.00 46.19 47.31 1ajw s LEU 104 CO 0.40 -0.91 1.02 -0.54 -0.29 0.00 0.00 176.35 176.03 1ajw s LYS 105 N -3.83 3.76 0.00 1.98 1.02 -1.26 0.11 119.74 121.52 1ajw s LYS 105 Ca 0.05 1.20 0.00 0.00 0.02 0.00 0.00 55.97 57.24 1ajw s LYS 105 Cb 0.01 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1ajw s LYS 105 CO -0.09 -0.45 0.02 0.39 -0.92 0.00 0.00 175.35 174.30 1ajw n GLU 106 N -1.33 0.00 -3.18 1.68 1.02 0.28 -3.38 120.64 115.73 1ajw n GLU 106 Ca 0.08 0.02 -0.23 0.00 -0.02 0.00 0.00 57.16 57.01 1ajw n GLU 106 Cb 0.53 -0.04 -0.06 0.00 -0.02 0.00 0.00 31.44 31.85 1ajw n GLU 106 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ajw n GLY 107 N -0.79 2.81 2.65 0.62 0.00 -1.26 -2.92 105.19 106.29 1ajw n GLY 107 Ca 0.00 -1.52 -0.20 0.00 0.00 0.00 0.00 46.02 44.30 1ajw n GLY 107 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ajw n VAL 108 N 1.37 0.00 -3.80 1.61 0.24 -1.22 -4.54 118.33 111.98 1ajw n VAL 108 Ca 0.21 -0.68 -0.35 0.00 -2.04 0.00 0.00 64.34 61.48 1ajw n VAL 108 Cb 0.54 -1.65 -0.12 0.00 -1.47 0.00 0.00 33.84 31.14 1ajw n VAL 108 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1ajw s GLU 109 N -4.98 2.08 0.09 7.34 2.12 -1.26 -2.88 118.70 121.21 1ajw s GLU 109 Ca 0.52 -2.06 0.07 0.00 0.36 0.00 0.00 54.97 53.85 1ajw s GLU 109 Cb -0.01 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.78 1ajw s GLU 109 CO 0.36 -1.09 -0.11 1.52 -0.54 0.00 0.00 175.26 175.41 1ajw s TYR 110 N 0.71 2.72 0.18 5.30 -0.85 -1.07 -4.44 117.35 119.90 1ajw s TYR 110 Ca 0.11 -0.16 0.06 0.00 -0.52 0.00 0.00 57.07 56.56 1ajw s TYR 110 Cb -0.22 -1.44 -0.04 0.00 0.38 0.00 0.00 41.96 40.64 1ajw s TYR 110 CO -0.04 0.41 0.10 0.50 -1.52 0.00 0.00 175.55 175.00 1ajw s ARG 111 N -2.10 2.75 -0.04 -3.49 3.52 -0.99 0.10 118.95 118.71 1ajw s ARG 111 Ca 0.20 -0.97 0.06 0.00 -0.13 0.00 0.00 55.73 54.90 1ajw s ARG 111 Cb -0.11 -2.54 -0.01 0.00 -1.56 0.00 0.00 34.95 30.72 1ajw s ARG 111 CO 0.12 0.46 -0.24 0.42 -0.81 0.00 0.00 175.30 175.26 1ajw s ILE 112 N -1.80 1.91 -0.28 4.11 1.01 -1.22 -3.07 121.20 121.86 1ajw s ILE 112 Ca 0.30 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.98 1ajw s ILE 112 Cb -0.10 -1.60 0.07 0.00 0.01 0.00 0.00 42.46 40.84 1ajw s ILE 112 CO 0.22 0.54 -0.06 -0.75 0.00 0.00 0.00 174.94 174.89 1ajw s LYS 113 N -0.29 1.95 0.21 2.79 2.20 -1.12 0.08 119.74 125.57 1ajw s LYS 113 Ca 0.01 -1.44 -0.06 0.00 -0.36 0.00 0.00 55.97 54.12 1ajw s LYS 113 Cb -0.12 -2.92 -0.06 0.00 -1.51 0.00 0.00 37.83 33.22 1ajw s LYS 113 CO 0.02 -0.67 0.48 0.42 -0.36 0.00 0.00 175.35 175.23 1ajw s ILE 114 N 1.09 5.06 0.09 5.43 -1.09 0.32 -1.82 121.20 130.28 1ajw s ILE 114 Ca -0.03 0.15 0.05 0.00 -2.23 0.00 0.00 60.65 58.58 1ajw s ILE 114 Cb -0.20 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 36.99 1ajw s ILE 114 CO -0.06 -0.11 -0.13 -0.55 -1.23 0.00 0.00 174.94 172.86 1ajw s SER 115 N -2.66 1.63 -0.03 3.58 0.15 -0.90 0.10 113.70 115.57 1ajw s SER 115 Ca 0.44 -0.69 -0.29 0.00 0.70 0.00 0.00 55.95 56.10 1ajw s SER 115 Cb -0.11 -0.03 0.11 0.00 -1.71 0.00 0.00 66.02 64.27 1ajw s SER 115 CO 0.25 -0.14 0.92 0.72 1.20 0.00 0.00 173.24 176.19 1ajw s PHE 116 N -1.71 -0.34 -0.05 3.44 -0.12 -1.19 -1.02 117.98 116.99 1ajw s PHE 116 Ca 0.01 0.25 -0.16 0.00 -0.05 0.00 0.00 56.93 56.98 1ajw s PHE 116 Cb -0.07 0.53 -0.05 0.00 -0.63 0.00 0.00 43.02 42.79 1ajw s PHE 116 CO 0.02 -0.50 0.42 1.03 -0.05 0.00 0.00 175.22 176.14 1ajw s ARG 117 N -2.88 4.09 -0.51 1.99 1.81 -1.20 -0.94 118.95 121.32 1ajw s ARG 117 Ca 0.05 0.40 0.03 0.00 -1.72 0.00 0.00 55.73 54.49 1ajw s ARG 117 Cb -0.01 -3.31 0.15 0.00 -0.45 0.00 0.00 34.95 31.33 1ajw s ARG 117 CO -0.08 0.48 0.33 0.08 -0.68 0.00 0.00 175.30 175.43 1ajw s VAL 118 N -0.40 1.60 -0.36 3.52 1.01 -1.22 -3.31 120.40 121.24 1ajw s VAL 118 Ca 0.24 -3.05 0.12 0.00 0.00 0.00 0.00 61.98 59.28 1ajw s VAL 118 Cb -0.16 -2.09 0.45 0.00 0.00 0.00 0.00 36.38 34.58 1ajw s VAL 118 CO 0.12 -1.00 1.05 -0.46 0.00 0.00 0.00 175.10 174.81 1ajw n ASN 119 N 2.96 3.07 0.02 3.32 0.23 -1.20 -3.98 115.26 119.68 1ajw n ASN 119 Ca 0.16 -3.15 0.00 0.00 -0.53 0.00 0.00 54.58 51.06 1ajw n ASN 119 Cb 0.37 -0.48 0.00 0.00 -2.08 0.00 0.00 39.78 37.59 1ajw n ASN 119 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 1ajw n ARG 120 N -0.33 0.00 -4.01 -3.83 0.00 -1.26 -4.91 116.66 102.32 1ajw n ARG 120 Ca 0.24 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.99 1ajw n ARG 120 Cb 0.76 -0.02 -0.05 0.00 0.00 0.00 0.00 32.46 33.16 1ajw n ARG 120 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1ajw s GLU 121 N -1.15 1.61 -0.41 -0.14 1.03 -1.26 -4.90 118.70 113.49 1ajw s GLU 121 Ca 0.00 -1.35 -0.28 0.00 0.03 0.00 0.00 54.97 53.37 1ajw s GLU 121 Cb 0.00 0.46 -0.01 0.00 -0.80 0.00 0.00 34.13 33.79 1ajw s GLU 121 CO 0.00 -0.67 1.66 0.42 -1.33 0.00 0.00 175.26 175.34 1ajw s ILE 122 N -3.82 3.62 -1.18 1.83 1.01 -1.26 -4.22 121.20 117.17 1ajw s ILE 122 Ca 0.24 0.60 -0.10 0.00 0.00 0.00 0.00 60.65 61.39 1ajw s ILE 122 Cb -0.00 -3.91 0.22 0.00 0.01 0.00 0.00 42.46 38.78 1ajw s ILE 122 CO 0.11 -0.63 1.48 0.52 0.00 0.00 0.00 174.94 176.42 1ajw n VAL 123 N 7.25 4.56 -1.81 2.92 0.31 0.61 -4.94 118.33 127.23 1ajw n VAL 123 Ca 0.20 -5.03 -0.20 0.00 -0.01 0.00 0.00 64.34 59.29 1ajw n VAL 123 Cb 0.48 -2.39 -0.08 0.00 -0.91 0.00 0.00 33.84 30.93 1ajw n VAL 123 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1ajw s SER 124 N 1.10 4.22 0.00 4.52 1.04 -1.26 -2.74 113.70 120.58 1ajw s SER 124 Ca 0.37 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.77 1ajw s SER 124 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1ajw s SER 124 CO 0.00 -3.85 0.00 0.61 0.98 0.00 0.00 173.24 170.98 1ajw n GLY 125 N 6.21 0.00 3.66 7.32 0.00 -1.24 -4.74 105.19 116.40 1ajw n GLY 125 Ca 0.43 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.02 1ajw n GLY 125 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ajw s MET 126 N 0.00 4.28 0.05 1.61 1.75 0.55 0.11 119.30 127.64 1ajw s MET 126 Ca 0.00 1.38 0.04 0.00 -1.25 0.00 0.00 55.69 55.86 1ajw s MET 126 Cb 0.00 -3.63 -0.02 0.00 2.84 0.00 0.00 34.83 34.01 1ajw s MET 126 CO 0.00 -0.59 -0.11 0.15 -0.65 0.00 0.00 175.02 173.82 1ajw s LYS 127 N 3.06 0.71 -0.20 4.11 1.02 -0.35 -0.63 119.74 127.45 1ajw s LYS 127 Ca 0.45 -0.78 0.01 0.00 0.02 0.00 0.00 55.97 55.67 1ajw s LYS 127 Cb -0.16 -0.63 0.05 0.00 -0.52 0.00 0.00 37.83 36.57 1ajw s LYS 127 CO 0.08 0.14 -0.08 -0.47 -0.92 0.00 0.00 175.35 174.10 1ajw s TYR 128 N -1.12 2.31 0.06 3.18 5.04 0.39 -2.19 117.35 125.02 1ajw s TYR 128 Ca -0.04 -1.57 0.07 0.00 -2.44 0.00 0.00 57.07 53.09 1ajw s TYR 128 Cb -0.09 -1.57 -0.04 0.00 0.35 0.00 0.00 41.96 40.61 1ajw s TYR 128 CO 0.01 -0.73 -0.14 0.42 -1.34 0.00 0.00 175.55 173.77 1ajw s ILE 129 N 1.43 3.09 0.00 3.14 1.09 -1.19 -0.19 121.20 128.57 1ajw s ILE 129 Ca -0.02 -1.17 0.01 0.00 -1.10 0.00 0.00 60.65 58.37 1ajw s ILE 129 Cb -0.17 -2.36 -0.01 0.00 -1.06 0.00 0.00 42.46 38.87 1ajw s ILE 129 CO -0.08 0.26 -0.05 0.00 -0.10 0.00 0.00 174.94 174.98 1ajw s GLN 130 N -1.70 0.38 0.33 2.79 -2.07 0.90 -0.25 119.66 120.03 1ajw s GLN 130 Ca 0.17 -0.26 0.07 0.00 -1.82 0.00 0.00 55.36 53.52 1ajw s GLN 130 Cb -0.11 -0.32 -0.01 0.00 -1.09 0.00 0.00 33.01 31.48 1ajw s GLN 130 CO 0.08 0.08 0.43 -1.01 -1.32 0.00 0.00 175.29 173.55 1ajw s HIS 131 N -0.34 3.11 -0.59 9.60 3.76 -0.14 0.77 115.29 131.46 1ajw s HIS 131 Ca -0.01 -0.22 0.05 0.00 -0.15 0.00 0.00 55.06 54.74 1ajw s HIS 131 Cb -0.03 -1.92 0.33 0.00 1.11 0.00 0.00 32.58 32.06 1ajw s HIS 131 CO -0.00 0.06 0.94 2.41 -0.85 0.00 0.00 174.74 177.30 1ajw n THR 132 N -1.57 3.04 -1.75 1.30 -1.04 0.30 -2.73 114.28 111.82 1ajw n THR 132 Ca -0.01 -5.55 -0.42 0.00 -2.04 0.00 0.00 64.05 56.03 1ajw n THR 132 Cb 0.58 -1.50 -0.03 0.00 -1.82 0.00 0.00 70.33 67.56 1ajw n THR 132 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1ajw s TYR 133 N -3.36 1.43 -0.03 -1.42 1.51 0.14 -3.30 117.35 112.32 1ajw s TYR 133 Ca 0.48 -0.20 0.07 0.00 -1.01 0.00 0.00 57.07 56.41 1ajw s TYR 133 Cb 0.26 -4.14 -0.02 0.00 -0.11 0.00 0.00 41.96 37.95 1ajw s TYR 133 CO -0.12 -5.00 -0.24 0.50 -1.11 0.00 0.00 175.55 169.58 1ajw s ARG 134 N 4.59 2.17 -1.24 -0.62 3.00 0.23 -1.26 118.95 125.83 1ajw s ARG 134 Ca 0.86 -0.88 0.00 0.00 -1.00 0.00 0.00 55.73 54.71 1ajw s ARG 134 Cb -0.39 -1.99 0.00 0.00 0.00 0.00 0.00 34.95 32.57 1ajw s ARG 134 CO 0.38 0.47 0.00 1.63 0.00 0.00 0.00 175.30 177.78 1ajw n LYS 135 N 2.66 -2.02 0.00 5.12 4.76 -1.26 -0.11 118.16 127.31 1ajw n LYS 135 Ca -0.16 0.70 0.00 0.00 -2.87 0.00 0.00 58.31 55.97 1ajw n LYS 135 Cb 0.52 -5.27 0.00 0.00 -1.84 0.00 0.00 35.03 28.44 1ajw n LYS 135 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ajw n GLY 136 N -0.77 2.21 3.60 0.72 0.00 -1.26 -5.02 105.19 104.66 1ajw n GLY 136 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 1ajw n GLY 136 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ajw s VAL 137 N -2.53 3.57 0.14 1.61 -7.23 0.85 -5.07 120.40 111.74 1ajw s VAL 137 Ca 0.00 -1.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.81 1ajw s VAL 137 Cb 0.00 -2.64 -0.07 0.00 0.56 0.00 0.00 36.38 34.24 1ajw s VAL 137 CO 0.00 0.21 0.97 -1.59 -0.31 0.00 0.00 175.10 174.37 1ajw s LYS 138 N -1.96 4.73 0.00 4.82 0.00 -1.26 0.78 119.74 126.84 1ajw s LYS 138 Ca 0.21 1.48 0.00 0.00 0.00 0.00 0.00 55.97 57.66 1ajw s LYS 138 Cb -0.11 -3.35 0.00 0.00 0.00 0.00 0.00 37.83 34.37 1ajw s LYS 138 CO 0.12 0.27 0.00 0.44 0.00 0.00 0.00 175.35 176.19 1ajw n ILE 139 N 2.46 0.00 -3.63 3.79 -6.64 -1.21 -4.88 119.36 109.25 1ajw n ILE 139 Ca 0.01 0.00 -0.04 0.00 -1.77 0.00 0.00 62.75 60.95 1ajw n ILE 139 Cb 0.48 -0.42 -0.05 0.00 -1.44 0.00 0.00 39.64 38.21 1ajw n ILE 139 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 1ajw s ASP 140 N -2.56 -0.13 0.01 7.28 -1.08 -1.26 -5.01 116.67 113.92 1ajw s ASP 140 Ca 0.00 0.19 0.03 0.00 -0.52 0.00 0.00 52.55 52.25 1ajw s ASP 140 Cb 0.00 0.17 -0.01 0.00 -1.46 0.00 0.00 42.92 41.62 1ajw s ASP 140 CO 0.00 -0.09 -0.09 -1.59 0.52 0.00 0.00 175.17 173.92 1ajw s LYS 141 N -0.60 0.66 0.12 4.34 -2.85 -1.26 0.11 119.74 120.27 1ajw s LYS 141 Ca 0.06 -0.47 0.06 0.00 -1.00 0.00 0.00 55.97 54.63 1ajw s LYS 141 Cb -0.02 -0.61 -0.04 0.00 -2.06 0.00 0.00 37.83 35.10 1ajw s LYS 141 CO -0.09 0.16 -0.01 0.99 0.10 0.00 0.00 175.35 176.50 1ajw s THR 142 N -0.55 3.85 -0.04 3.79 2.01 0.23 -4.93 115.64 120.01 1ajw s THR 142 Ca 0.00 -1.18 0.05 0.00 0.31 0.00 0.00 61.69 60.86 1ajw s THR 142 Cb -0.05 -2.87 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 1ajw s THR 142 CO 0.00 0.03 -0.17 1.51 -0.69 0.00 0.00 174.62 175.30 1ajw s ASP 143 N -2.55 2.14 -0.09 3.53 -4.77 -1.26 -0.07 116.67 113.60 1ajw s ASP 143 Ca 0.26 -0.35 0.03 0.00 -3.30 0.00 0.00 52.55 49.19 1ajw s ASP 143 Cb -0.11 -0.51 0.01 0.00 -1.09 0.00 0.00 42.92 41.22 1ajw s ASP 143 CO 0.18 0.17 -0.19 -0.31 0.70 0.00 0.00 175.17 175.72 1ajw s TYR 144 N -0.07 2.15 -0.48 2.11 2.02 0.73 -4.96 117.35 118.85 1ajw s TYR 144 Ca -0.01 -0.90 -0.21 0.00 -0.37 0.00 0.00 57.07 55.58 1ajw s TYR 144 Cb -0.10 -1.48 0.04 0.00 -0.40 0.00 0.00 41.96 40.01 1ajw s TYR 144 CO 0.01 -0.40 0.68 1.41 -1.57 0.00 0.00 175.55 175.69 1ajw s MET 145 N 0.56 3.24 -0.05 -0.62 1.75 -1.26 -0.46 119.30 122.46 1ajw s MET 145 Ca -0.15 -0.52 -0.22 0.00 -1.25 0.00 0.00 55.69 53.55 1ajw s MET 145 Cb -0.17 -4.01 -0.30 0.00 2.84 0.00 0.00 34.83 33.19 1ajw s MET 145 CO 0.05 -1.15 0.90 0.28 -0.65 0.00 0.00 175.02 174.46 1ajw h VAL 146 N 5.89 1.53 0.00 10.11 2.07 -1.23 -3.49 116.25 131.13 1ajw h VAL 146 Ca -0.26 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 64.77 1ajw h VAL 146 Cb 1.09 3.18 0.00 0.00 -1.52 0.00 0.00 31.29 34.04 1ajw h VAL 146 CO 0.94 0.70 0.00 0.61 0.02 0.00 0.00 177.57 179.85 1ajw n GLY 147 N 1.62 0.70 3.69 2.17 0.00 -0.95 -4.97 105.19 107.46 1ajw n GLY 147 Ca -0.13 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.33 1ajw n GLY 147 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ajw s SER 148 N -2.47 7.00 -0.12 1.61 0.01 -1.26 -0.33 113.70 118.13 1ajw s SER 148 Ca 0.00 1.21 -0.00 0.00 1.31 0.00 0.00 55.95 58.47 1ajw s SER 148 Cb 0.00 -2.45 -0.02 0.00 0.21 0.00 0.00 66.02 63.76 1ajw s SER 148 CO 0.00 -0.29 -0.12 -0.31 0.41 0.00 0.00 173.24 172.93 1ajw s TYR 149 N 1.59 2.82 0.05 2.43 1.51 -1.11 -4.91 117.35 119.73 1ajw s TYR 149 Ca 0.39 -0.53 0.08 0.00 -1.01 0.00 0.00 57.07 56.00 1ajw s TYR 149 Cb -0.17 -1.82 -0.03 0.00 -0.11 0.00 0.00 41.96 39.82 1ajw s TYR 149 CO 0.16 -0.13 -0.23 0.20 -1.11 0.00 0.00 175.55 174.44 1ajw s GLY 150 N 0.19 1.50 0.35 0.71 0.00 -1.26 -0.28 107.32 108.52 1ajw s GLY 150 Ca -0.07 -1.25 -0.27 0.00 0.00 0.00 0.00 44.72 43.13 1ajw s GLY 150 CO 0.05 -1.14 1.12 2.56 0.00 0.00 0.00 173.10 175.69 1ajw s PRO 151 N -1.39 4.32 0.00 2.90 0.04 -1.26 -4.82 135.00 134.79 1ajw s PRO 151 Ca 0.13 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1ajw s PRO 151 Cb -0.10 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.58 1ajw s PRO 151 CO 0.04 -0.07 0.00 -2.13 0.04 0.00 0.00 177.00 174.88 1ajw n ARG 152 N 0.50 0.00 0.00 4.56 3.00 -1.26 -5.00 116.66 118.45 1ajw n ARG 152 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 1ajw n ARG 152 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.92 1ajw n ARG 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ajw n ALA 153 N -1.06 1.82 -2.64 5.13 0.00 -1.26 -5.17 120.51 117.33 1ajw n ALA 153 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ajw n ALA 153 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ajw n ALA 153 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ajw n GLU 154 N -0.82 0.00 -1.87 0.00 1.02 -1.26 -5.00 120.64 112.71 1ajw n GLU 154 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1ajw n GLU 154 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.48 1ajw n GLU 154 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1ajw s GLU 155 N 4.63 2.58 0.31 3.49 4.04 -1.26 -3.43 118.70 129.06 1ajw s GLU 155 Ca 0.00 0.37 0.00 0.00 0.04 0.00 0.00 54.97 55.39 1ajw s GLU 155 Cb 0.00 -2.00 -0.00 0.00 0.02 0.00 0.00 34.13 32.15 1ajw s GLU 155 CO 0.00 -1.21 0.01 0.66 -1.84 0.00 0.00 175.26 172.88 1ajw n TYR 156 N -3.11 0.66 -3.78 4.83 4.02 -0.11 -4.93 117.16 114.73 1ajw n TYR 156 Ca 0.07 -1.58 -0.26 0.00 -0.01 0.00 0.00 57.90 56.13 1ajw n TYR 156 Cb 0.58 -0.18 -0.17 0.00 -0.02 0.00 0.00 39.34 39.55 1ajw n TYR 156 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1ajw s GLU 157 N -3.12 0.81 0.24 -0.72 2.02 -1.26 -3.16 118.70 113.50 1ajw s GLU 157 Ca 0.02 -0.24 0.05 0.00 0.02 0.00 0.00 54.97 54.82 1ajw s GLU 157 Cb 0.00 -1.66 -0.03 0.00 0.10 0.00 0.00 34.13 32.54 1ajw s GLU 157 CO 0.01 -0.47 0.35 0.12 0.02 0.00 0.00 175.26 175.29 1ajw s PHE 158 N 1.86 3.43 -0.18 1.61 5.36 0.29 -4.93 117.98 125.41 1ajw s PHE 158 Ca 0.02 -0.03 -0.06 0.00 -0.96 0.00 0.00 56.93 55.91 1ajw s PHE 158 Cb -0.15 -1.56 0.08 0.00 -0.34 0.00 0.00 43.02 41.06 1ajw s PHE 158 CO -0.07 0.45 0.35 -1.17 -1.46 0.00 0.00 175.22 173.32 1ajw s LEU 159 N -3.97 -0.49 0.37 6.12 0.20 -1.26 -0.52 118.68 119.13 1ajw s LEU 159 Ca 0.34 0.73 -0.06 0.00 0.69 0.00 0.00 54.13 55.83 1ajw s LEU 159 Cb -0.09 1.05 -0.05 0.00 -0.43 0.00 0.00 46.19 46.67 1ajw s LEU 159 CO 0.29 -0.24 0.66 0.42 -0.29 0.00 0.00 176.35 177.18 1ajw s THR 160 N 2.52 4.94 1.09 3.68 -4.23 0.11 -4.96 115.64 118.79 1ajw s THR 160 Ca 0.01 0.18 -0.13 0.00 -1.18 0.00 0.00 61.69 60.58 1ajw s THR 160 Cb -0.12 -3.78 0.24 0.00 1.34 0.00 0.00 72.50 70.18 1ajw s THR 160 CO -0.11 -0.51 1.06 -2.16 -0.54 0.00 0.00 174.62 172.35 1ajw s PRO 161 N -3.97 -0.29 0.16 3.99 0.04 -1.26 -3.39 135.00 130.28 1ajw s PRO 161 Ca 0.46 0.66 -0.33 0.00 0.04 0.00 0.00 61.00 61.83 1ajw s PRO 161 Cb -0.10 -1.64 -0.13 0.00 0.04 0.00 0.00 34.50 32.66 1ajw s PRO 161 CO 0.34 -3.26 1.64 0.00 0.04 0.00 0.00 177.00 175.76 1ajw n MET 162 N -4.56 2.34 -4.69 4.56 0.00 -1.26 -4.41 117.12 109.08 1ajw n MET 162 Ca 0.04 0.84 -0.33 0.00 0.00 0.00 0.00 57.70 58.25 1ajw n MET 162 Cb 0.56 -2.64 -0.15 0.00 0.00 0.00 0.00 33.22 30.98 1ajw n MET 162 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1ajw s GLU 163 N 1.16 3.23 0.05 3.17 0.41 0.29 -4.87 118.70 122.13 1ajw s GLU 163 Ca 0.78 -0.75 -0.27 0.00 -0.41 0.00 0.00 54.97 54.33 1ajw s GLU 163 Cb -0.63 -2.58 -0.05 0.00 -1.78 0.00 0.00 34.13 29.09 1ajw s GLU 163 CO 0.37 0.09 0.83 -1.21 -0.49 0.00 0.00 175.26 174.85 1ajw s GLU 164 N 0.63 4.55 0.66 1.61 2.02 -1.26 -2.61 118.70 124.30 1ajw s GLU 164 Ca -0.09 1.18 -0.09 0.00 0.02 0.00 0.00 54.97 56.00 1ajw s GLU 164 Cb -0.16 -3.39 0.02 0.00 0.10 0.00 0.00 34.13 30.70 1ajw s GLU 164 CO 0.03 0.21 1.02 0.00 0.02 0.00 0.00 175.26 176.53 1ajw s ALA 165 N 0.16 3.06 -0.06 5.21 0.00 -1.14 -4.96 121.76 124.03 1ajw s ALA 165 Ca 0.42 -0.53 -0.30 0.00 0.00 0.00 0.00 51.96 51.55 1ajw s ALA 165 Cb -0.21 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 1ajw s ALA 165 CO 0.25 -1.04 1.31 -1.25 0.00 0.00 0.00 175.76 175.03 1ajw s PRO 166 N -5.22 4.29 0.40 0.00 0.04 -1.24 -4.19 135.00 129.09 1ajw s PRO 166 Ca 0.57 1.81 0.08 0.00 0.04 0.00 0.00 61.00 63.49 1ajw s PRO 166 Cb -0.11 -3.64 -0.04 0.00 0.04 0.00 0.00 34.50 30.76 1ajw s PRO 166 CO 0.49 -0.58 0.28 -1.59 0.04 0.00 0.00 177.00 175.64 1ajw s LYS 167 N 2.69 2.41 0.00 4.56 0.00 -1.15 -4.30 119.74 123.96 1ajw s LYS 167 Ca 0.59 -1.64 0.00 0.00 0.00 0.00 0.00 55.97 54.93 1ajw s LYS 167 Cb -0.27 -2.22 0.00 0.00 0.00 0.00 0.00 37.83 35.35 1ajw s LYS 167 CO 0.22 -0.12 0.00 0.41 0.00 0.00 0.00 175.35 175.87 1ajw n GLY 168 N -1.38 3.53 0.25 0.59 0.00 -1.26 -4.43 105.19 102.49 1ajw n GLY 168 Ca 0.01 -1.85 -0.06 0.00 0.00 0.00 0.00 46.02 44.12 1ajw n GLY 168 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1ajw h MET 169 N 0.00 0.84 0.00 1.61 4.05 -1.98 -2.56 114.93 116.89 1ajw h MET 169 Ca 0.00 -0.07 -0.15 0.00 -0.28 0.00 0.00 59.70 59.19 1ajw h MET 169 Cb 0.00 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.60 1ajw h MET 169 CO 0.00 0.60 -0.72 1.25 0.23 0.00 0.00 176.91 178.26 1ajw h LEU 170 N 0.84 0.00 -2.66 3.39 6.46 -2.01 -3.21 115.31 118.12 1ajw h LEU 170 Ca 0.22 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.99 1ajw h LEU 170 Cb -0.03 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.90 1ajw h LEU 170 CO -0.04 0.72 0.06 0.00 -0.62 0.00 0.00 178.44 178.56 1ajw h ALA 171 N 1.28 1.28 -2.59 1.25 0.00 -1.67 -3.42 119.26 115.39 1ajw h ALA 171 Ca -0.01 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.37 1ajw h ALA 171 Cb 1.54 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.36 1ajw h ALA 171 CO 0.09 -0.07 0.74 1.03 0.00 0.00 0.00 179.25 181.04 1ajw s ARG 172 N -4.34 4.31 0.00 0.00 0.52 -1.17 -4.75 118.95 113.52 1ajw s ARG 172 Ca -0.05 2.13 0.00 0.00 -0.52 0.00 0.00 55.73 57.29 1ajw s ARG 172 Cb 0.13 -3.21 0.00 0.00 0.52 0.00 0.00 34.95 32.39 1ajw s ARG 172 CO 0.45 -0.43 0.00 0.41 0.02 0.00 0.00 175.30 175.76 1ajw n GLY 173 N 3.23 0.03 3.72 -3.53 0.00 -1.18 -4.90 105.19 102.56 1ajw n GLY 173 Ca 0.10 -1.57 -0.39 0.00 0.00 0.00 0.00 46.02 44.16 1ajw n GLY 173 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ajw s SER 174 N 0.00 6.94 -0.29 1.61 1.04 -1.26 -1.00 113.70 120.74 1ajw s SER 174 Ca 0.00 1.13 -0.06 0.00 0.48 0.00 0.00 55.95 57.51 1ajw s SER 174 Cb 0.00 -2.39 0.02 0.00 0.10 0.00 0.00 66.02 63.75 1ajw s SER 174 CO 0.00 -0.09 0.06 -0.31 0.98 0.00 0.00 173.24 173.87 1ajw s TYR 175 N 0.74 3.16 -0.07 5.02 1.51 -0.97 -4.71 117.35 122.02 1ajw s TYR 175 Ca 0.36 -1.19 -0.30 0.00 -1.01 0.00 0.00 57.07 54.93 1ajw s TYR 175 Cb -0.17 -2.22 -0.03 0.00 -0.11 0.00 0.00 41.96 39.43 1ajw s TYR 175 CO 0.17 -0.64 1.14 1.21 -1.11 0.00 0.00 175.55 176.32 1ajw s ASN 176 N 1.44 7.11 -0.05 2.29 3.84 -0.39 -1.20 114.94 127.98 1ajw s ASN 176 Ca 0.01 1.73 0.05 0.00 0.21 0.00 0.00 52.86 54.86 1ajw s ASN 176 Cb -0.18 -2.56 -0.02 0.00 -0.55 0.00 0.00 41.25 37.95 1ajw s ASN 176 CO 0.01 -0.54 -0.21 -0.63 -2.79 0.00 0.00 177.10 172.94 1ajw s ILE 177 N 2.14 2.46 -0.59 -5.21 1.01 -0.88 0.27 121.20 120.41 1ajw s ILE 177 Ca 0.53 -0.93 -0.12 0.00 0.00 0.00 0.00 60.65 60.13 1ajw s ILE 177 Cb -0.23 -1.92 0.15 0.00 0.01 0.00 0.00 42.46 40.47 1ajw s ILE 177 CO 0.21 0.57 0.51 -0.75 0.00 0.00 0.00 174.94 175.48 1ajw s LYS 178 N -0.38 2.93 -0.20 2.79 2.20 -1.11 -3.03 119.74 122.94 1ajw s LYS 178 Ca 0.03 -1.98 -0.16 0.00 -0.36 0.00 0.00 55.97 53.51 1ajw s LYS 178 Cb -0.12 -4.16 -0.04 0.00 -1.51 0.00 0.00 37.83 32.00 1ajw s LYS 178 CO 0.02 -1.26 0.40 -1.54 -0.36 0.00 0.00 175.35 172.61 1ajw s SER 179 N 2.71 6.45 -0.36 1.43 1.04 -1.17 -0.97 113.70 122.83 1ajw s SER 179 Ca 0.09 0.53 0.01 0.00 0.48 0.00 0.00 55.95 57.06 1ajw s SER 179 Cb -0.23 -2.23 0.11 0.00 0.10 0.00 0.00 66.02 63.76 1ajw s SER 179 CO -0.02 -0.08 0.13 -0.60 0.98 0.00 0.00 173.24 173.66 1ajw s ARG 180 N 1.30 1.13 -0.95 4.02 3.52 0.65 -1.76 118.95 126.86 1ajw s ARG 180 Ca 0.19 -1.61 -0.22 0.00 -0.13 0.00 0.00 55.73 53.96 1ajw s ARG 180 Cb -0.15 -2.47 0.07 0.00 -1.56 0.00 0.00 34.95 30.85 1ajw s ARG 180 CO 0.08 -1.03 1.32 0.12 -0.81 0.00 0.00 175.30 174.98 1ajw s PHE 181 N 1.00 2.69 0.10 5.12 2.19 -0.76 -3.16 117.98 125.15 1ajw s PHE 181 Ca 0.13 -0.92 0.00 0.00 0.33 0.00 0.00 56.93 56.46 1ajw s PHE 181 Cb -0.20 -4.55 0.00 0.00 -1.31 0.00 0.00 43.02 36.96 1ajw s PHE 181 CO -0.13 -1.81 0.02 -2.37 1.83 0.00 0.00 175.22 172.77 1ajw n THR 182 N 6.40 0.00 -1.75 0.12 5.66 -0.93 -3.69 114.28 120.09 1ajw n THR 182 Ca 0.26 -0.43 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1ajw n THR 182 Cb 0.50 -0.06 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 1ajw n THR 182 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1ajw n ASP 183 N -1.33 0.00 0.19 1.09 5.68 -1.26 -1.22 116.55 119.70 1ajw n ASP 183 Ca -0.03 -0.33 -0.15 0.00 -0.50 0.00 0.00 54.79 53.79 1ajw n ASP 183 Cb 0.12 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.02 1ajw n ASP 183 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1ajw h ASP 184 N 0.00 -0.36 0.00 -1.12 3.04 0.46 -3.41 116.42 115.03 1ajw h ASP 184 Ca 0.00 -0.02 -0.04 0.00 -3.24 0.00 0.00 57.03 53.73 1ajw h ASP 184 Cb 0.00 0.09 -0.04 0.00 -1.04 0.00 0.00 39.33 38.34 1ajw h ASP 184 CO 0.00 -0.22 -0.09 -0.90 -2.04 0.00 0.00 179.24 175.99 1ajw n ASP 185 N -5.25 -0.31 0.10 4.15 5.68 -1.26 -4.99 116.55 114.67 1ajw n ASP 185 Ca -0.10 -0.71 -0.17 0.00 -0.50 0.00 0.00 54.79 53.31 1ajw n ASP 185 Cb 0.20 0.09 -0.14 0.00 -1.14 0.00 0.00 41.12 40.13 1ajw n ASP 185 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1ajw h ARG 186 N 0.00 0.30 0.00 0.11 2.47 -1.96 -3.49 114.38 111.80 1ajw h ARG 186 Ca -0.18 -0.51 0.00 0.00 -1.26 0.00 0.00 59.98 58.03 1ajw h ARG 186 Cb 0.76 0.19 0.00 0.00 -1.65 0.00 0.00 29.97 29.27 1ajw h ARG 186 CO -0.09 1.23 0.00 -2.37 0.56 0.00 0.00 179.97 179.30 1ajw n THR 187 N -3.54 0.00 -3.99 2.04 5.66 -1.26 -5.11 114.28 108.08 1ajw n THR 187 Ca -0.11 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.55 1ajw n THR 187 Cb 1.04 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.67 1ajw n THR 187 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1ajw s ASP 188 N 1.18 3.84 0.00 1.09 -4.77 -1.26 -4.30 116.67 112.46 1ajw s ASP 188 Ca 0.00 -0.49 0.00 0.00 -3.30 0.00 0.00 52.55 48.76 1ajw s ASP 188 Cb 0.00 -1.64 0.00 0.00 -1.09 0.00 0.00 42.92 40.19 1ajw s ASP 188 CO 0.00 -0.01 0.00 1.41 0.70 0.00 0.00 175.17 177.27 1ajw n HIS 189 N 4.73 0.00 -3.60 2.11 8.25 -1.26 -5.05 115.22 120.40 1ajw n HIS 189 Ca -0.19 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.11 1ajw n HIS 189 Cb 0.50 -0.29 -0.07 0.00 1.12 0.00 0.00 29.99 31.26 1ajw n HIS 189 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1ajw s LEU 190 N -3.22 -0.07 -0.19 2.41 2.96 -1.24 -4.88 118.68 114.44 1ajw s LEU 190 Ca 0.00 0.40 -0.17 0.00 -0.22 0.00 0.00 54.13 54.14 1ajw s LEU 190 Cb 0.00 2.07 0.05 0.00 0.50 0.00 0.00 46.19 48.80 1ajw s LEU 190 CO 0.00 -0.59 0.50 -0.55 -1.32 0.00 0.00 176.35 174.39 1ajw s SER 191 N -1.43 -0.52 0.00 3.68 0.15 -1.26 -1.83 113.70 112.49 1ajw s SER 191 Ca -0.10 1.01 0.00 0.00 0.70 0.00 0.00 55.95 57.55 1ajw s SER 191 Cb -0.02 1.02 0.00 0.00 -1.71 0.00 0.00 66.02 65.31 1ajw s SER 191 CO 0.05 -0.17 0.00 -2.67 1.20 0.00 0.00 173.24 171.65 1ajw n TRP 192 N 2.85 0.00 -3.64 3.44 2.14 -0.72 -4.99 117.44 116.53 1ajw n TRP 192 Ca -0.14 0.00 -0.08 0.00 2.07 0.00 0.00 57.50 59.35 1ajw n TRP 192 Cb 0.57 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 31.00 1ajw n TRP 192 CO 0.00 0.00 0.00 -2.00 2.07 0.00 0.00 177.69 177.76 1ajw s GLU 193 N 1.64 0.70 0.02 -2.67 -6.30 -1.26 -3.03 118.70 107.80 1ajw s GLU 193 Ca 0.00 1.13 0.00 0.00 -2.50 0.00 0.00 54.97 53.60 1ajw s GLU 193 Cb 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 34.13 34.30 1ajw s GLU 193 CO 0.00 -0.13 -0.03 1.67 0.02 0.00 0.00 175.26 176.79 1ajw s TRP 194 N 1.36 0.26 0.27 5.30 1.48 -1.17 -4.63 118.94 121.80 1ajw s TRP 194 Ca -0.08 -0.38 -0.08 0.00 -1.06 0.00 0.00 56.10 54.50 1ajw s TRP 194 Cb -0.05 -0.17 -0.06 0.00 -1.16 0.00 0.00 33.47 32.02 1ajw s TRP 194 CO -0.16 -0.12 0.58 -0.80 -4.06 0.00 0.00 176.95 172.39 1ajw s ASN 195 N -1.06 6.56 -0.45 -2.66 0.01 -1.26 -2.07 114.94 114.01 1ajw s ASN 195 Ca -0.11 0.88 0.03 0.00 -0.71 0.00 0.00 52.86 52.95 1ajw s ASN 195 Cb -0.07 -2.21 0.13 0.00 0.41 0.00 0.00 41.25 39.51 1ajw s ASN 195 CO -0.01 -0.15 0.22 -0.22 -1.51 0.00 0.00 177.10 175.43 1ajw s LEU 196 N -3.17 3.31 0.27 0.60 2.96 -0.34 -0.87 118.68 121.43 1ajw s LEU 196 Ca 0.47 -2.63 -0.29 0.00 -0.22 0.00 0.00 54.13 51.45 1ajw s LEU 196 Cb -0.11 -1.25 -0.10 0.00 0.50 0.00 0.00 46.19 45.23 1ajw s LEU 196 CO 0.25 -0.28 1.32 -0.89 -1.32 0.00 0.00 176.35 175.44 1ajw s THR 197 N 0.30 2.91 0.04 3.68 2.01 0.10 -2.30 115.64 122.37 1ajw s THR 197 Ca 0.16 0.82 0.06 0.00 0.31 0.00 0.00 61.69 63.04 1ajw s THR 197 Cb -0.24 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 1ajw s THR 197 CO -0.02 0.16 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.29 1ajw s ILE 198 N -0.51 3.06 0.00 1.82 -1.09 -0.17 -0.32 121.20 124.00 1ajw s ILE 198 Ca 0.53 -1.09 0.00 0.00 -2.23 0.00 0.00 60.65 57.87 1ajw s ILE 198 Cb -0.39 -2.31 0.00 0.00 -1.58 0.00 0.00 42.46 38.18 1ajw s ILE 198 CO 0.45 0.33 0.00 1.17 -1.23 0.00 0.00 174.94 175.67 1ajw n LYS 199 N 1.48 0.00 0.00 2.79 4.81 0.31 -3.11 118.16 124.44 1ajw n LYS 199 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 1ajw n LYS 199 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 1ajw n LYS 199 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1ajw n LYS 200 N 0.00 -0.17 -2.69 1.64 2.85 -1.26 0.10 118.16 118.63 1ajw n LYS 200 Ca 0.00 -0.30 -0.05 0.00 -1.05 0.00 0.00 58.31 56.91 1ajw n LYS 200 Cb 0.00 -0.70 0.12 0.00 -0.65 0.00 0.00 35.03 33.80 1ajw n LYS 200 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1ajw n GLU 201 N -0.03 1.24 0.29 -1.58 2.13 -1.26 -4.85 120.64 116.58 1ajw n GLU 201 Ca 0.00 -1.61 0.19 0.00 0.66 0.00 0.00 57.16 56.40 1ajw n GLU 201 Cb 0.19 0.11 1.02 0.00 0.27 0.00 0.00 31.44 33.02 1ajw n GLU 201 CO 0.00 0.00 0.00 0.11 -0.41 0.00 0.00 177.13 176.83 1ajw h TRP 202 N 1.67 0.00 -0.34 4.31 5.08 -1.90 -3.17 115.95 121.61 1ajw h TRP 202 Ca -0.33 0.00 -0.26 0.00 1.08 0.00 0.00 58.89 59.38 1ajw h TRP 202 Cb 1.30 0.00 -0.24 0.00 -3.00 0.00 0.00 29.16 27.21 1ajw h TRP 202 CO 0.06 0.00 -0.66 1.17 -1.28 0.00 0.00 178.44 177.74 1ajw n LYS 203 N -2.84 1.24 0.00 0.12 4.81 -1.26 -4.84 118.16 115.39 1ajw n LYS 203 Ca -0.02 -2.31 0.00 0.00 -0.87 0.00 0.00 58.31 55.11 1ajw n LYS 203 Cb 0.10 -0.46 0.00 0.00 0.02 0.00 0.00 35.03 34.68 1ajw n LYS 203 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32