#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 0.28 -2.71 0.00 0.24 -1.26 -4.82 118.33 110.07 1ajw n VAL 61 Ca 0.00 -0.25 -0.03 0.00 -2.04 0.00 0.00 64.34 62.02 1ajw n VAL 61 Cb 0.00 -0.35 0.11 0.00 -1.47 0.00 0.00 33.84 32.13 1ajw n VAL 61 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1ajw n SER 62 N -2.05 -0.85 -3.10 -1.34 3.41 -1.26 -5.06 113.62 103.37 1ajw n SER 62 Ca -0.07 -2.26 0.04 0.00 -0.26 0.00 0.00 58.87 56.31 1ajw n SER 62 Cb 0.51 0.48 -0.00 0.00 -0.26 0.00 0.00 64.21 64.93 1ajw n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ajw s ALA 63 N -0.74 -3.28 -0.00 7.33 0.00 -1.26 -5.16 121.76 118.64 1ajw s ALA 63 Ca 0.16 1.05 -0.07 0.00 0.00 0.00 0.00 51.96 53.09 1ajw s ALA 63 Cb 0.42 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.79 1ajw s ALA 63 CO -0.10 -2.10 0.14 0.16 0.00 0.00 0.00 175.76 173.86 1ajw s ASP 64 N 2.56 0.01 0.65 0.00 -4.77 -1.26 -4.87 116.67 108.98 1ajw s ASP 64 Ca 0.18 -0.17 0.00 0.00 -3.30 0.00 0.00 52.55 49.26 1ajw s ASP 64 Cb -0.04 0.21 0.00 0.00 -1.09 0.00 0.00 42.92 42.00 1ajw s ASP 64 CO -0.20 -0.34 0.00 -0.81 0.70 0.00 0.00 175.17 174.52 1ajw n PRO 65 N 1.58 -0.10 -0.45 2.11 -0.04 -1.26 -5.08 135.00 131.77 1ajw n PRO 65 Ca -0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 1ajw n PRO 65 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 1ajw n PRO 65 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ajw n ASN 66 N -1.94 0.00 -3.17 3.54 4.13 -1.26 -5.04 115.26 111.51 1ajw n ASN 66 Ca 0.00 -0.81 -0.28 0.00 1.68 0.00 0.00 54.58 55.17 1ajw n ASN 66 Cb 0.00 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.19 1ajw n ASN 66 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1ajw n VAL 67 N -1.18 2.94 -2.38 2.41 0.24 -1.26 -5.07 118.33 114.02 1ajw n VAL 67 Ca 0.00 -5.46 -0.35 0.00 -2.04 0.00 0.00 64.34 56.49 1ajw n VAL 67 Cb 0.00 -1.70 -0.01 0.00 -1.47 0.00 0.00 33.84 30.66 1ajw n VAL 67 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1ajw s PRO 68 N -3.09 3.61 0.00 7.34 0.04 -1.26 -4.99 135.00 136.64 1ajw s PRO 68 Ca 0.45 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1ajw s PRO 68 Cb 0.22 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1ajw s PRO 68 CO -0.08 -0.62 0.00 -1.71 0.04 0.00 0.00 177.00 174.63 1ajw n ASN 69 N -1.01 0.00 -3.85 6.66 4.05 -1.26 -4.40 115.26 115.45 1ajw n ASN 69 Ca 0.10 0.00 -0.14 0.00 0.45 0.00 0.00 54.58 54.98 1ajw n ASN 69 Cb 0.51 0.00 -0.15 0.00 1.23 0.00 0.00 39.78 41.37 1ajw n ASN 69 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1ajw s VAL 70 N -0.62 0.09 -0.08 3.44 1.01 -1.25 -2.74 120.40 120.24 1ajw s VAL 70 Ca 0.00 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 61.91 1ajw s VAL 70 Cb 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 36.38 36.27 1ajw s VAL 70 CO 0.00 0.07 0.27 -0.69 0.00 0.00 0.00 175.10 174.75 1ajw s VAL 71 N 0.47 0.01 -0.37 2.92 1.01 -1.25 -4.74 120.40 118.45 1ajw s VAL 71 Ca -0.04 -0.12 -0.27 0.00 0.00 0.00 0.00 61.98 61.55 1ajw s VAL 71 Cb -0.06 -0.42 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 1ajw s VAL 71 CO -0.01 -0.06 2.14 -0.69 0.00 0.00 0.00 175.10 176.48 1ajw s VAL 72 N -0.17 3.15 -0.03 2.92 1.01 -1.26 -3.26 120.40 122.76 1ajw s VAL 72 Ca -0.03 0.13 -0.24 0.00 0.00 0.00 0.00 61.98 61.84 1ajw s VAL 72 Cb -0.03 -3.26 -0.18 0.00 0.00 0.00 0.00 36.38 32.91 1ajw s VAL 72 CO 0.01 -0.21 1.09 0.71 0.00 0.00 0.00 175.10 176.70 1ajw h THR 73 N 7.21 1.01 -2.31 3.92 1.35 0.53 -3.38 112.91 121.25 1ajw h THR 73 Ca -0.32 -1.03 -0.06 0.00 -0.55 0.00 0.00 66.41 64.44 1ajw h THR 73 Cb 1.22 1.61 -0.18 0.00 -1.73 0.00 0.00 68.15 69.08 1ajw h THR 73 CO 1.07 0.23 0.14 -0.13 -0.25 0.00 0.00 175.52 176.57 1ajw s ARG 74 N -3.97 1.05 -0.17 4.72 0.52 -1.15 -2.31 118.95 117.63 1ajw s ARG 74 Ca -0.14 0.07 -0.03 0.00 -0.52 0.00 0.00 55.73 55.11 1ajw s ARG 74 Cb 0.01 0.49 -0.02 0.00 0.52 0.00 0.00 34.95 35.95 1ajw s ARG 74 CO 0.56 -0.35 -0.05 -1.17 0.02 0.00 0.00 175.30 174.31 1ajw s LEU 75 N -1.49 3.06 0.13 2.53 0.20 -0.75 -1.82 118.68 120.54 1ajw s LEU 75 Ca -0.09 -0.25 0.06 0.00 0.69 0.00 0.00 54.13 54.54 1ajw s LEU 75 Cb -0.01 -1.74 -0.04 0.00 -0.43 0.00 0.00 46.19 43.97 1ajw s LEU 75 CO 0.05 0.10 0.01 -0.89 -0.29 0.00 0.00 176.35 175.34 1ajw s THR 76 N 0.75 3.93 -0.18 3.68 2.01 -0.80 -0.57 115.64 124.46 1ajw s THR 76 Ca -0.02 -1.18 -0.05 0.00 0.31 0.00 0.00 61.69 60.75 1ajw s THR 76 Cb -0.15 -2.93 0.06 0.00 0.01 0.00 0.00 72.50 69.50 1ajw s THR 76 CO 0.02 0.00 0.09 -0.76 -0.69 0.00 0.00 174.62 173.28 1ajw s LEU 77 N -2.64 0.40 0.37 4.42 1.02 -1.11 -1.78 118.68 119.35 1ajw s LEU 77 Ca 0.27 -0.69 0.08 0.00 0.02 0.00 0.00 54.13 53.81 1ajw s LEU 77 Cb -0.11 -0.27 -0.03 0.00 0.02 0.00 0.00 46.19 45.81 1ajw s LEU 77 CO 0.19 -0.36 0.27 -0.69 0.02 0.00 0.00 176.35 175.78 1ajw s VAL 78 N 2.12 3.01 0.00 -1.59 1.01 -1.18 -3.16 120.40 120.61 1ajw s VAL 78 Ca 0.03 -1.48 0.00 0.00 0.00 0.00 0.00 61.98 60.53 1ajw s VAL 78 Cb -0.16 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1ajw s VAL 78 CO -0.12 -0.11 0.00 0.00 0.00 0.00 0.00 175.10 174.88 1ajw n SER 80 N 0.00 1.16 -2.69 0.00 3.41 -1.26 -4.63 113.62 109.61 1ajw n SER 80 Ca 0.00 0.13 -0.07 0.00 -0.26 0.00 0.00 58.87 58.67 1ajw n SER 80 Cb 0.00 -0.03 0.03 0.00 -0.26 0.00 0.00 64.21 63.95 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 -3.11 1.03 -2.58 6.66 -2.24 -1.26 -5.11 114.28 107.66 1ajw n THR 81 Ca -0.31 -3.01 -0.23 0.00 -2.27 0.00 0.00 64.05 58.23 1ajw n THR 81 Cb 1.07 0.79 0.04 0.00 -2.10 0.00 0.00 70.33 70.12 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 -3.21 3.62 0.14 6.98 0.00 -1.26 -4.62 121.76 123.42 1ajw s ALA 82 Ca 0.27 -1.09 0.17 0.00 0.00 0.00 0.00 51.96 51.31 1ajw s ALA 82 Cb 0.43 -2.28 0.56 0.00 0.00 0.00 0.00 23.12 21.83 1ajw s ALA 82 CO 0.02 -0.80 1.68 -1.00 0.00 0.00 0.00 175.76 175.67 1ajw h PRO 83 N -0.04 0.00 0.00 0.00 0.13 -1.97 -3.48 132.00 126.64 1ajw h PRO 83 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1ajw h PRO 83 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1ajw h PRO 83 CO 0.56 0.43 0.00 0.41 -0.23 0.00 0.00 178.00 179.17 1ajw n GLY 84 N 0.37 1.69 3.57 1.56 0.00 -1.26 -5.08 105.19 106.04 1ajw n GLY 84 Ca -0.00 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 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 2.97 -0.12 1.61 0.04 -1.26 -4.81 135.00 131.43 1ajw s PRO 85 Ca 0.00 0.65 -0.29 0.00 0.04 0.00 0.00 61.00 61.39 1ajw s PRO 85 Cb 0.00 -4.27 -0.05 0.00 0.04 0.00 0.00 34.50 30.22 1ajw s PRO 85 CO 0.00 -2.33 1.84 -0.51 0.04 0.00 0.00 177.00 176.04 1ajw s LEU 86 N 7.67 4.02 -0.45 -3.56 1.43 -1.19 -4.63 118.68 121.97 1ajw s LEU 86 Ca 0.63 2.06 -0.15 0.00 -1.03 0.00 0.00 54.13 55.65 1ajw s LEU 86 Cb -0.13 -3.53 0.06 0.00 0.03 0.00 0.00 46.19 42.62 1ajw s LEU 86 CO 0.24 -1.29 0.36 -1.61 0.23 0.00 0.00 176.35 174.28 1ajw s GLU 87 N 4.86 2.93 -0.09 1.70 2.02 -1.25 -2.77 118.70 126.11 1ajw s GLU 87 Ca 0.82 -1.30 -0.25 0.00 0.02 0.00 0.00 54.97 54.26 1ajw s GLU 87 Cb -0.33 -4.06 -0.03 0.00 0.10 0.00 0.00 34.13 29.81 1ajw s GLU 87 CO 0.34 -0.97 0.78 -1.17 0.02 0.00 0.00 175.26 174.26 1ajw s LEU 88 N 1.62 4.28 -0.15 1.80 0.20 0.26 -4.83 118.68 121.87 1ajw s LEU 88 Ca 0.04 1.25 -0.29 0.00 0.69 0.00 0.00 54.13 55.82 1ajw s LEU 88 Cb -0.23 -3.20 -0.01 0.00 -0.43 0.00 0.00 46.19 42.32 1ajw s LEU 88 CO 0.07 -0.22 1.10 -0.62 -0.29 0.00 0.00 176.35 176.38 1ajw s ASP 89 N 0.95 7.11 -0.40 3.68 -1.08 -1.26 -1.80 116.67 123.86 1ajw s ASP 89 Ca 0.40 1.56 0.10 0.00 -0.52 0.00 0.00 52.55 54.09 1ajw s ASP 89 Cb -0.18 -2.55 0.43 0.00 -1.46 0.00 0.00 42.92 39.16 1ajw s ASP 89 CO 0.18 -0.60 1.02 0.18 0.52 0.00 0.00 175.17 176.47 1ajw n LEU 90 N 5.77 3.27 0.00 -1.34 4.77 -0.98 -4.75 117.00 123.75 1ajw n LEU 90 Ca 0.11 -4.66 0.00 0.00 -0.03 0.00 0.00 56.01 51.44 1ajw n LEU 90 Cb 0.47 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1ajw n LEU 90 CO 0.53 1.99 0.00 0.35 -1.33 0.00 0.00 177.39 178.93 1ajw n THR 91 N -0.27 0.00 0.08 -5.08 -2.24 -1.26 -4.39 114.28 101.12 1ajw n THR 91 Ca 0.26 0.25 0.00 0.00 -2.27 0.00 0.00 64.05 62.30 1ajw n THR 91 Cb 0.71 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 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 2.49 -0.12 3.56 3.38 0.00 -1.26 -4.93 105.19 108.31 1ajw n GLY 92 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1ajw n GLY 92 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ajw s ASP 93 N -5.59 5.15 -0.04 1.61 -4.77 -1.26 -4.68 116.67 107.10 1ajw s ASP 93 Ca 0.00 -0.83 0.18 0.00 -3.30 0.00 0.00 52.55 48.61 1ajw s ASP 93 Cb 0.00 -2.56 -0.21 0.00 -1.09 0.00 0.00 42.92 39.05 1ajw s ASP 93 CO 0.00 -2.77 0.53 0.18 0.70 0.00 0.00 175.17 173.81 1ajw n LEU 94 N 13.94 0.44 0.19 2.11 4.77 -1.26 -4.20 117.00 132.99 1ajw n LEU 94 Ca 0.41 0.19 0.18 0.00 -0.03 0.00 0.00 56.01 56.76 1ajw n LEU 94 Cb 0.47 0.18 0.74 0.00 -2.33 0.00 0.00 43.42 42.49 1ajw n LEU 94 CO 0.61 0.22 1.16 -0.08 -1.33 0.00 0.00 177.39 177.97 1ajw h GLU 95 N 0.00 0.00 0.00 3.23 4.81 -1.96 -0.59 114.58 120.08 1ajw h GLU 95 Ca -0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1ajw h GLU 95 Cb 1.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.05 1ajw h GLU 95 CO 0.03 0.00 0.04 0.77 -0.73 0.00 0.00 179.01 179.13 1ajw h SER 96 N 0.00 0.00 0.55 1.04 0.02 -1.97 -2.94 113.55 110.25 1ajw h SER 96 Ca 0.12 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1ajw h SER 96 Cb 0.99 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.54 1ajw h SER 96 CO -0.00 0.00 -0.27 -0.26 -1.14 0.00 0.00 176.83 175.16 1ajw h PHE 97 N 0.00 -0.69 0.00 3.45 0.04 -1.40 -2.49 116.94 115.85 1ajw h PHE 97 Ca 0.00 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1ajw h PHE 97 Cb 0.09 0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1ajw h PHE 97 CO 0.00 -0.39 0.14 1.57 -0.60 0.00 0.00 178.31 179.03 1ajw h LYS 98 N -0.84 0.00 -0.25 1.51 2.10 -1.75 0.13 116.57 117.47 1ajw h LYS 98 Ca -0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1ajw h LYS 98 Cb 0.61 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 1ajw h LYS 98 CO 0.12 0.00 0.00 1.17 -2.00 0.00 0.00 179.45 178.74 1ajw n LYS 99 N -3.00 1.59 -3.60 0.07 4.81 -0.94 -4.88 118.16 112.21 1ajw n LYS 99 Ca -0.03 -0.92 -0.08 0.00 -0.87 0.00 0.00 58.31 56.41 1ajw n LYS 99 Cb 0.20 -1.20 -0.05 0.00 0.02 0.00 0.00 35.03 33.99 1ajw n LYS 99 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 1ajw s GLN 100 N -1.66 0.43 0.21 1.64 -2.07 0.03 -5.10 119.66 113.14 1ajw s GLN 100 Ca 0.18 0.17 0.09 0.00 -1.82 0.00 0.00 55.36 53.97 1ajw s GLN 100 Cb 0.09 0.20 -0.05 0.00 -1.09 0.00 0.00 33.01 32.17 1ajw s GLN 100 CO 0.12 -0.12 -0.16 -1.54 -1.32 0.00 0.00 175.29 172.27 1ajw s SER 101 N -0.83 2.75 -0.28 12.60 1.04 -1.26 -4.55 113.70 123.17 1ajw s SER 101 Ca 0.02 -1.00 -0.27 0.00 0.48 0.00 0.00 55.95 55.18 1ajw s SER 101 Cb -0.01 -0.17 0.01 0.00 0.10 0.00 0.00 66.02 65.95 1ajw s SER 101 CO -0.03 -0.12 0.97 -0.36 0.98 0.00 0.00 173.24 174.68 1ajw s PHE 102 N -2.78 3.23 0.54 5.02 0.40 0.07 -4.72 117.98 119.73 1ajw s PHE 102 Ca 0.23 1.17 -0.17 0.00 -0.60 0.00 0.00 56.93 57.57 1ajw s PHE 102 Cb -0.02 -3.39 -0.07 0.00 0.51 0.00 0.00 43.02 40.05 1ajw s PHE 102 CO 0.08 -0.60 1.01 0.08 0.70 0.00 0.00 175.22 176.49 1ajw s VAL 103 N 3.27 4.28 0.27 -0.44 1.01 -1.26 0.57 120.40 128.11 1ajw s VAL 103 Ca 0.41 1.11 -0.19 0.00 0.00 0.00 0.00 61.98 63.31 1ajw s VAL 103 Cb -0.14 -3.61 0.07 0.00 0.00 0.00 0.00 36.38 32.70 1ajw s VAL 103 CO 0.11 -0.61 0.93 -0.76 0.00 0.00 0.00 175.10 174.78 1ajw s LEU 104 N -4.16 0.01 0.12 3.92 1.43 -0.22 -4.86 118.68 114.92 1ajw s LEU 104 Ca 0.61 -0.88 0.05 0.00 -1.03 0.00 0.00 54.13 52.87 1ajw s LEU 104 Cb -0.12 2.41 -0.04 0.00 0.03 0.00 0.00 46.19 48.48 1ajw s LEU 104 CO 0.32 -1.30 0.06 -0.75 0.23 0.00 0.00 176.35 174.92 1ajw s LYS 105 N -2.21 2.72 0.00 1.70 2.20 -1.26 0.11 119.74 123.00 1ajw s LYS 105 Ca 0.19 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 54.95 1ajw s LYS 105 Cb -0.04 -2.59 0.00 0.00 -1.51 0.00 0.00 37.83 33.69 1ajw s LYS 105 CO 0.08 0.51 0.00 0.39 -0.36 0.00 0.00 175.35 175.97 1ajw n GLU 106 N 0.14 0.00 -3.19 4.03 1.02 0.30 -3.33 120.64 119.60 1ajw n GLU 106 Ca -0.09 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.83 1ajw n GLU 106 Cb 0.53 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.89 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 -0.98 2.10 1.55 0.62 0.00 -1.26 -1.83 105.19 105.39 1ajw n GLY 107 Ca 0.00 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 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 2.04 0.00 -3.96 1.61 0.24 -1.21 -4.78 118.33 112.27 1ajw n VAL 108 Ca 0.23 -0.56 -0.30 0.00 -2.04 0.00 0.00 64.34 61.67 1ajw n VAL 108 Cb 0.52 -1.38 -0.14 0.00 -1.47 0.00 0.00 33.84 31.37 1ajw n VAL 108 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1ajw s GLU 109 N -3.69 1.74 0.02 7.34 -1.05 -1.26 -3.42 118.70 118.38 1ajw s GLU 109 Ca 0.28 -2.31 0.03 0.00 -0.15 0.00 0.00 54.97 52.82 1ajw s GLU 109 Cb -0.01 -3.20 -0.04 0.00 -0.44 0.00 0.00 34.13 30.44 1ajw s GLU 109 CO 0.19 -1.05 -0.04 1.52 0.95 0.00 0.00 175.26 176.83 1ajw s TYR 110 N 0.19 2.95 0.34 4.83 -0.85 -1.03 -4.45 117.35 119.32 1ajw s TYR 110 Ca 0.15 -0.01 0.07 0.00 -0.52 0.00 0.00 57.07 56.76 1ajw s TYR 110 Cb -0.23 -1.60 -0.02 0.00 0.38 0.00 0.00 41.96 40.48 1ajw s TYR 110 CO -0.03 0.42 0.32 1.03 -1.52 0.00 0.00 175.55 175.77 1ajw s ARG 111 N -1.66 2.78 -0.04 -3.49 0.52 -0.98 0.10 118.95 116.18 1ajw s ARG 111 Ca 0.20 -1.26 0.04 0.00 -0.52 0.00 0.00 55.73 54.19 1ajw s ARG 111 Cb -0.11 -2.52 -0.00 0.00 0.52 0.00 0.00 34.95 32.83 1ajw s ARG 111 CO 0.11 0.08 -0.17 0.42 0.02 0.00 0.00 175.30 175.76 1ajw s ILE 112 N -2.29 1.39 -0.38 1.52 1.01 -1.22 -3.11 121.20 118.11 1ajw s ILE 112 Ca 0.42 -0.69 -0.00 0.00 0.00 0.00 0.00 60.65 60.37 1ajw s ILE 112 Cb -0.06 -1.19 0.10 0.00 0.01 0.00 0.00 42.46 41.32 1ajw s ILE 112 CO 0.27 0.40 0.14 -0.75 0.00 0.00 0.00 174.94 175.00 1ajw s LYS 113 N 0.05 1.84 0.43 2.79 2.47 -0.74 -1.24 119.74 125.34 1ajw s LYS 113 Ca -0.04 -1.81 -0.22 0.00 -1.56 0.00 0.00 55.97 52.34 1ajw s LYS 113 Cb -0.11 -3.43 -0.10 0.00 -1.46 0.00 0.00 37.83 32.73 1ajw s LYS 113 CO 0.02 -1.00 1.00 0.42 0.16 0.00 0.00 175.35 175.95 1ajw s ILE 114 N 1.06 4.02 -0.04 5.43 -1.09 -1.15 -1.89 121.20 127.54 1ajw s ILE 114 Ca 0.08 1.37 0.02 0.00 -2.23 0.00 0.00 60.65 59.90 1ajw s ILE 114 Cb -0.21 -3.62 0.01 0.00 -1.58 0.00 0.00 42.46 37.06 1ajw s ILE 114 CO -0.05 -0.17 -0.10 -0.44 -1.23 0.00 0.00 174.94 172.95 1ajw s SER 115 N -1.91 1.36 -0.06 3.58 0.01 -0.76 -1.37 113.70 114.55 1ajw s SER 115 Ca 0.61 -0.21 -0.27 0.00 1.31 0.00 0.00 55.95 57.39 1ajw s SER 115 Cb -0.15 -0.46 0.06 0.00 0.21 0.00 0.00 66.02 65.68 1ajw s SER 115 CO 0.20 0.05 0.60 0.72 0.41 0.00 0.00 173.24 175.21 1ajw s PHE 116 N 0.37 -0.56 -0.22 2.43 -0.12 -1.18 0.11 117.98 118.80 1ajw s PHE 116 Ca -0.07 1.01 -0.08 0.00 -0.05 0.00 0.00 56.93 57.74 1ajw s PHE 116 Cb -0.11 0.32 -0.04 0.00 -0.63 0.00 0.00 43.02 42.56 1ajw s PHE 116 CO 0.01 -0.53 0.10 0.50 -0.05 0.00 0.00 175.22 175.25 1ajw s ARG 117 N -1.06 3.91 -0.41 1.99 3.52 -1.20 -1.92 118.95 123.78 1ajw s ARG 117 Ca -0.10 -0.36 -0.01 0.00 -0.13 0.00 0.00 55.73 55.13 1ajw s ARG 117 Cb -0.02 -3.36 0.11 0.00 -1.56 0.00 0.00 34.95 30.13 1ajw s ARG 117 CO 0.08 0.06 0.18 0.08 -0.81 0.00 0.00 175.30 174.89 1ajw s VAL 118 N 0.98 3.04 -0.36 7.11 1.01 -1.20 -3.75 120.40 127.23 1ajw s VAL 118 Ca 0.05 -2.23 0.12 0.00 0.00 0.00 0.00 61.98 59.92 1ajw s VAL 118 Cb -0.14 -3.11 0.45 0.00 0.00 0.00 0.00 36.38 33.58 1ajw s VAL 118 CO 0.03 -0.69 1.06 0.59 0.00 0.00 0.00 175.10 176.10 1ajw n ASN 119 N 4.39 3.24 0.10 3.32 4.13 -1.11 -3.49 115.26 125.84 1ajw n ASN 119 Ca 0.00 -3.19 0.00 0.00 1.68 0.00 0.00 54.58 53.07 1ajw n ASN 119 Cb 0.41 -0.47 0.00 0.00 -1.54 0.00 0.00 39.78 38.18 1ajw n ASN 119 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1ajw n ARG 120 N -0.36 0.00 -4.19 3.52 3.00 -1.26 -4.64 116.66 112.72 1ajw n ARG 120 Ca 0.26 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.99 1ajw n ARG 120 Cb 0.77 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 33.13 1ajw n ARG 120 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1ajw s GLU 121 N -1.58 1.07 -0.60 -0.14 2.12 -1.26 -4.81 118.70 113.50 1ajw s GLU 121 Ca 0.00 -1.53 -0.27 0.00 0.36 0.00 0.00 54.97 53.53 1ajw s GLU 121 Cb 0.00 0.09 0.01 0.00 0.26 0.00 0.00 34.13 34.49 1ajw s GLU 121 CO 0.00 -0.26 1.53 0.42 -0.54 0.00 0.00 175.26 176.40 1ajw s ILE 122 N -3.96 3.64 -1.43 -3.70 1.01 -1.26 -3.76 121.20 111.73 1ajw s ILE 122 Ca 0.28 0.47 -0.14 0.00 0.00 0.00 0.00 60.65 61.27 1ajw s ILE 122 Cb 0.07 -4.37 0.06 0.00 0.01 0.00 0.00 42.46 38.23 1ajw s ILE 122 CO 0.05 -1.21 2.16 0.52 0.00 0.00 0.00 174.94 176.46 1ajw n VAL 123 N 6.88 3.59 -2.28 2.92 0.31 -0.31 -4.91 118.33 124.53 1ajw n VAL 123 Ca 0.13 -3.24 -0.36 0.00 -0.01 0.00 0.00 64.34 60.86 1ajw n VAL 123 Cb 0.50 -2.57 -0.04 0.00 -0.91 0.00 0.00 33.84 30.83 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 2.99 5.73 0.00 4.52 1.04 -1.26 -3.12 113.70 123.61 1ajw s SER 124 Ca 0.47 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1ajw s SER 124 Cb 0.13 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.69 1ajw s SER 124 CO -0.07 -2.15 0.00 0.61 0.98 0.00 0.00 173.24 172.61 1ajw n GLY 125 N 6.27 0.40 3.76 7.32 0.00 -1.26 -4.40 105.19 117.29 1ajw n GLY 125 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 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 4.48 0.09 1.61 1.75 -0.85 -2.41 119.30 123.97 1ajw s MET 126 Ca 0.00 1.88 0.01 0.00 -1.25 0.00 0.00 55.69 56.34 1ajw s MET 126 Cb 0.00 -3.07 -0.04 0.00 2.84 0.00 0.00 34.83 34.56 1ajw s MET 126 CO 0.00 0.04 -0.06 0.21 -0.65 0.00 0.00 175.02 174.56 1ajw s LYS 127 N -1.68 0.78 -0.32 4.11 2.20 -1.18 -1.55 119.74 122.10 1ajw s LYS 127 Ca 0.48 -1.29 -0.01 0.00 -0.36 0.00 0.00 55.97 54.78 1ajw s LYS 127 Cb -0.33 -0.13 0.11 0.00 -1.51 0.00 0.00 37.83 35.96 1ajw s LYS 127 CO 0.43 -0.03 0.13 -0.47 -0.36 0.00 0.00 175.35 175.05 1ajw s TYR 128 N -3.59 1.17 -0.10 4.03 5.04 0.75 -3.15 117.35 121.49 1ajw s TYR 128 Ca 0.10 -1.51 -0.15 0.00 -2.44 0.00 0.00 57.07 53.07 1ajw s TYR 128 Cb 0.05 -1.37 -0.05 0.00 0.35 0.00 0.00 41.96 40.94 1ajw s TYR 128 CO -0.05 -0.85 0.37 0.42 -1.34 0.00 0.00 175.55 174.09 1ajw s ILE 129 N 1.59 5.21 -0.05 3.14 1.01 -0.94 0.10 121.20 131.27 1ajw s ILE 129 Ca 0.11 0.72 0.02 0.00 0.00 0.00 0.00 60.65 61.50 1ajw s ILE 129 Cb -0.18 -3.69 0.01 0.00 0.01 0.00 0.00 42.46 38.61 1ajw s ILE 129 CO -0.24 0.44 -0.09 -1.58 0.00 0.00 0.00 174.94 173.47 1ajw s GLN 130 N -0.00 1.20 -0.21 2.79 0.74 -0.61 0.11 119.66 123.67 1ajw s GLN 130 Ca 0.21 -0.28 -0.06 0.00 0.05 0.00 0.00 55.36 55.28 1ajw s GLN 130 Cb -0.15 -1.07 -0.02 0.00 1.10 0.00 0.00 33.01 32.87 1ajw s GLN 130 CO 0.08 0.02 0.02 -1.01 -0.55 0.00 0.00 175.29 173.85 1ajw s HIS 131 N 0.61 3.05 -0.57 1.67 3.76 0.18 -1.96 115.29 122.03 1ajw s HIS 131 Ca -0.10 -0.45 -0.26 0.00 -0.15 0.00 0.00 55.06 54.09 1ajw s HIS 131 Cb -0.13 -2.12 0.04 0.00 1.11 0.00 0.00 32.58 31.47 1ajw s HIS 131 CO 0.02 -0.26 1.07 0.99 -0.85 0.00 0.00 174.74 175.70 1ajw s THR 132 N 1.13 4.19 -0.05 1.30 2.01 0.29 -0.19 115.64 124.33 1ajw s THR 132 Ca 0.03 0.55 -0.11 0.00 0.31 0.00 0.00 61.69 62.47 1ajw s THR 132 Cb -0.14 -4.64 -0.05 0.00 0.01 0.00 0.00 72.50 67.67 1ajw s THR 132 CO 0.02 -1.25 0.29 -0.31 -0.69 0.00 0.00 174.62 172.67 1ajw s TYR 133 N 4.47 3.67 -0.24 4.92 1.51 0.31 -0.62 117.35 131.36 1ajw s TYR 133 Ca 0.36 0.78 0.02 0.00 -1.01 0.00 0.00 57.07 57.22 1ajw s TYR 133 Cb -0.10 -2.13 0.05 0.00 -0.11 0.00 0.00 41.96 39.67 1ajw s TYR 133 CO 0.22 0.68 -0.12 0.50 -1.11 0.00 0.00 175.55 175.72 1ajw s ARG 134 N -1.09 2.31 -1.44 -0.62 3.00 0.28 -1.75 118.95 119.64 1ajw s ARG 134 Ca 0.20 -1.17 -0.10 0.00 -1.00 0.00 0.00 55.73 53.66 1ajw s ARG 134 Cb -0.15 -2.76 0.06 0.00 0.00 0.00 0.00 34.95 32.11 1ajw s ARG 134 CO 0.09 -0.49 0.70 1.17 0.00 0.00 0.00 175.30 176.78 1ajw n LYS 135 N 4.51 -4.52 -1.97 5.12 3.00 -1.26 -1.33 118.16 121.71 1ajw n LYS 135 Ca -0.15 0.61 0.00 0.00 -0.00 0.00 0.00 58.31 58.77 1ajw n LYS 135 Cb 0.44 -5.42 0.00 0.00 0.00 0.00 0.00 35.03 30.05 1ajw n LYS 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ajw n GLY 136 N -1.44 0.77 2.86 3.14 0.00 -1.26 -5.06 105.19 104.20 1ajw n GLY 136 Ca -0.01 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.17 1ajw n GLY 136 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ajw s VAL 137 N -2.44 -0.41 0.12 1.61 1.01 -0.44 -5.12 120.40 114.73 1ajw s VAL 137 Ca 0.00 0.02 -0.31 0.00 0.00 0.00 0.00 61.98 61.69 1ajw s VAL 137 Cb 0.00 -0.63 -0.09 0.00 0.00 0.00 0.00 36.38 35.65 1ajw s VAL 137 CO 0.00 -0.09 1.62 -0.75 0.00 0.00 0.00 175.10 175.89 1ajw s LYS 138 N 2.40 4.20 -0.06 2.72 2.36 -1.26 0.10 119.74 130.20 1ajw s LYS 138 Ca 0.06 2.37 0.08 0.00 -2.55 0.00 0.00 55.97 55.94 1ajw s LYS 138 Cb -0.15 -3.36 -0.12 0.00 -1.05 0.00 0.00 37.83 33.15 1ajw s LYS 138 CO -0.12 -0.68 0.10 0.44 1.55 0.00 0.00 175.35 176.65 1ajw n ILE 139 N 4.32 0.36 -3.61 5.43 -5.35 0.21 -4.88 119.36 115.84 1ajw n ILE 139 Ca 0.15 -0.31 -0.06 0.00 -0.27 0.00 0.00 62.75 62.26 1ajw n ILE 139 Cb 0.39 -0.35 -0.04 0.00 -1.74 0.00 0.00 39.64 37.90 1ajw n ILE 139 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1ajw s ASP 140 N -3.69 -0.18 -0.01 7.28 1.47 -1.22 -5.01 116.67 115.32 1ajw s ASP 140 Ca -0.04 0.18 -0.12 0.00 1.18 0.00 0.00 52.55 53.75 1ajw s ASP 140 Cb 0.04 0.15 0.02 0.00 -0.34 0.00 0.00 42.92 42.79 1ajw s ASP 140 CO 0.37 -0.18 0.24 -1.59 0.68 0.00 0.00 175.17 174.70 1ajw s LYS 141 N -1.22 0.59 0.04 2.11 -2.85 -1.26 0.10 119.74 117.25 1ajw s LYS 141 Ca 0.05 -0.25 -0.05 0.00 -1.00 0.00 0.00 55.97 54.71 1ajw s LYS 141 Cb -0.01 0.26 -0.01 0.00 -2.06 0.00 0.00 37.83 36.01 1ajw s LYS 141 CO -0.04 -0.15 0.08 0.99 0.10 0.00 0.00 175.35 176.33 1ajw s THR 142 N -1.31 0.14 -0.36 3.79 2.01 -0.83 -4.96 115.64 114.13 1ajw s THR 142 Ca -0.14 -1.14 -0.13 0.00 0.31 0.00 0.00 61.69 60.60 1ajw s THR 142 Cb -0.06 -0.91 -0.00 0.00 0.01 0.00 0.00 72.50 71.53 1ajw s THR 142 CO 0.03 -0.63 0.24 1.51 -0.69 0.00 0.00 174.62 175.09 1ajw s ASP 143 N -2.16 6.00 -0.58 3.53 -4.77 -1.26 -1.58 116.67 115.85 1ajw s ASP 143 Ca -0.05 -0.58 -0.19 0.00 -3.30 0.00 0.00 52.55 48.44 1ajw s ASP 143 Cb -0.01 -2.12 0.10 0.00 -1.09 0.00 0.00 42.92 39.80 1ajw s ASP 143 CO -0.05 -0.29 0.68 -0.31 0.70 0.00 0.00 175.17 175.90 1ajw s TYR 144 N 1.69 3.02 -0.08 2.11 2.02 0.28 -4.83 117.35 121.56 1ajw s TYR 144 Ca 0.05 -0.97 -0.29 0.00 -0.37 0.00 0.00 57.07 55.49 1ajw s TYR 144 Cb -0.18 -3.97 -0.07 0.00 -0.40 0.00 0.00 41.96 37.35 1ajw s TYR 144 CO 0.10 -1.26 1.99 0.00 -1.57 0.00 0.00 175.55 174.81 1ajw s MET 145 N 2.59 3.77 -0.13 -0.62 0.23 -1.26 -0.18 119.30 123.70 1ajw s MET 145 Ca 0.11 2.29 -0.24 0.00 -1.03 0.00 0.00 55.69 56.82 1ajw s MET 145 Cb -0.24 -4.21 -0.22 0.00 -1.53 0.00 0.00 34.83 28.63 1ajw s MET 145 CO 0.06 -1.37 0.63 0.28 -2.03 0.00 0.00 175.02 172.60 1ajw h VAL 146 N 6.18 1.49 0.00 5.16 2.07 -1.59 -3.47 116.25 126.10 1ajw h VAL 146 Ca -0.44 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 64.95 1ajw h VAL 146 Cb 1.23 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.82 1ajw h VAL 146 CO 0.95 0.50 0.00 0.61 0.02 0.00 0.00 177.57 179.66 1ajw n GLY 147 N 1.63 1.13 3.90 2.17 0.00 -1.18 -4.96 105.19 107.88 1ajw n GLY 147 Ca -0.09 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 1ajw n GLY 147 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ajw s SER 148 N 0.00 6.49 -0.12 1.61 1.04 -1.26 -2.00 113.70 119.46 1ajw s SER 148 Ca 0.00 0.69 -0.07 0.00 0.48 0.00 0.00 55.95 57.05 1ajw s SER 148 Cb 0.00 -2.13 0.04 0.00 0.10 0.00 0.00 66.02 64.03 1ajw s SER 148 CO 0.00 -0.08 0.28 -0.31 0.98 0.00 0.00 173.24 174.11 1ajw s TYR 149 N -1.88 -0.37 0.39 5.02 2.02 -1.18 -4.95 117.35 116.40 1ajw s TYR 149 Ca 0.43 0.86 -0.07 0.00 -0.37 0.00 0.00 57.07 57.92 1ajw s TYR 149 Cb -0.11 0.10 -0.05 0.00 -0.40 0.00 0.00 41.96 41.49 1ajw s TYR 149 CO 0.26 -0.23 0.71 0.20 -1.57 0.00 0.00 175.55 174.92 1ajw s GLY 150 N 1.02 1.77 0.16 0.71 0.00 -1.26 -1.16 107.32 108.56 1ajw s GLY 150 Ca -0.07 -0.41 -0.03 0.00 0.00 0.00 0.00 44.72 44.21 1ajw s GLY 150 CO -0.07 -0.25 0.19 -1.55 0.00 0.00 0.00 173.10 171.42 1ajw n PRO 151 N -1.48 -0.59 -3.56 2.90 -0.04 -1.25 -4.58 135.00 126.40 1ajw n PRO 151 Ca 0.00 -0.30 -0.25 0.00 -0.04 0.00 0.00 63.50 62.92 1ajw n PRO 151 Cb 0.54 -0.22 0.04 0.00 -0.04 0.00 0.00 33.50 33.82 1ajw n PRO 151 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ajw n ARG 152 N -1.63 -1.38 0.00 0.54 5.12 -1.23 -4.91 116.66 113.17 1ajw n ARG 152 Ca 0.02 0.67 0.00 0.00 -1.93 0.00 0.00 57.85 56.62 1ajw n ARG 152 Cb 0.09 -4.35 0.00 0.00 -1.16 0.00 0.00 32.46 27.04 1ajw n ARG 152 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ajw n ALA 153 N -3.59 0.19 -3.00 7.54 0.00 -1.26 -5.10 120.51 115.28 1ajw n ALA 153 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1ajw n ALA 153 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1ajw n ALA 153 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ajw n GLU 154 N 0.00 0.00 -3.11 0.00 0.28 -1.26 -5.07 120.64 111.47 1ajw n GLU 154 Ca 0.00 0.00 -0.45 0.00 -0.16 0.00 0.00 57.16 56.55 1ajw n GLU 154 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 1ajw n GLU 154 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1ajw s GLU 155 N 1.52 3.41 1.43 3.44 2.12 -1.26 -3.24 118.70 126.12 1ajw s GLU 155 Ca 0.00 -1.83 -0.22 0.00 0.36 0.00 0.00 54.97 53.28 1ajw s GLU 155 Cb 0.00 -4.54 0.37 0.00 0.26 0.00 0.00 34.13 30.22 1ajw s GLU 155 CO 0.00 -1.55 0.91 0.66 -0.54 0.00 0.00 175.26 174.74 1ajw n TYR 156 N 5.68 -3.25 -3.46 5.30 4.01 -0.81 -4.66 117.16 119.97 1ajw n TYR 156 Ca 0.10 -0.67 -0.16 0.00 -0.16 0.00 0.00 57.90 57.00 1ajw n TYR 156 Cb 0.46 -1.42 -0.12 0.00 -0.31 0.00 0.00 39.34 37.95 1ajw n TYR 156 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1ajw s GLU 157 N -4.92 0.23 0.73 -0.72 2.02 -1.26 -3.13 118.70 111.66 1ajw s GLU 157 Ca 0.68 0.29 -0.11 0.00 0.02 0.00 0.00 54.97 55.85 1ajw s GLU 157 Cb -0.15 -1.01 0.03 0.00 0.10 0.00 0.00 34.13 33.10 1ajw s GLU 157 CO 0.59 -0.65 1.08 0.12 0.02 0.00 0.00 175.26 176.43 1ajw s PHE 158 N 2.38 3.10 -0.11 1.61 5.36 -0.47 -4.87 117.98 124.97 1ajw s PHE 158 Ca 0.08 1.19 -0.02 0.00 -0.96 0.00 0.00 56.93 57.23 1ajw s PHE 158 Cb -0.16 -3.02 0.04 0.00 -0.34 0.00 0.00 43.02 39.54 1ajw s PHE 158 CO -0.13 -1.40 0.00 -1.17 -1.46 0.00 0.00 175.22 171.07 1ajw s LEU 159 N -5.56 0.83 -0.01 6.12 0.20 -1.26 -2.94 118.68 116.07 1ajw s LEU 159 Ca 0.59 -0.33 -0.02 0.00 0.69 0.00 0.00 54.13 55.05 1ajw s LEU 159 Cb -0.13 -0.53 -0.04 0.00 -0.43 0.00 0.00 46.19 45.06 1ajw s LEU 159 CO 0.54 -0.22 0.17 0.42 -0.29 0.00 0.00 176.35 176.97 1ajw s THR 160 N 1.91 5.35 1.15 3.68 -4.23 -0.37 -4.99 115.64 118.15 1ajw s THR 160 Ca 0.03 -0.18 -0.14 0.00 -1.18 0.00 0.00 61.69 60.21 1ajw s THR 160 Cb -0.14 -3.50 0.27 0.00 1.34 0.00 0.00 72.50 70.47 1ajw s THR 160 CO -0.06 0.33 1.05 -2.16 -0.54 0.00 0.00 174.62 173.23 1ajw s PRO 161 N -1.91 -0.79 -0.01 3.99 0.04 -1.26 -3.44 135.00 131.62 1ajw s PRO 161 Ca 0.27 0.53 -0.30 0.00 0.04 0.00 0.00 61.00 61.54 1ajw s PRO 161 Cb -0.13 -1.59 -0.09 0.00 0.04 0.00 0.00 34.50 32.74 1ajw s PRO 161 CO 0.18 -3.56 2.02 0.00 0.04 0.00 0.00 177.00 175.68 1ajw n MET 162 N -4.76 2.70 -3.94 4.56 0.00 -1.26 -4.43 117.12 110.00 1ajw n MET 162 Ca 0.05 0.96 -0.35 0.00 0.00 0.00 0.00 57.70 58.36 1ajw n MET 162 Cb 0.57 -3.04 -0.12 0.00 0.00 0.00 0.00 33.22 30.63 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 4.77 3.75 0.13 3.17 0.41 0.29 -4.79 118.70 126.44 1ajw s GLU 163 Ca 0.91 -0.44 -0.28 0.00 -0.41 0.00 0.00 54.97 54.74 1ajw s GLU 163 Cb -0.43 -3.23 -0.07 0.00 -1.78 0.00 0.00 34.13 28.63 1ajw s GLU 163 CO 0.41 0.01 0.89 -1.21 -0.49 0.00 0.00 175.26 174.88 1ajw s GLU 164 N 1.05 4.67 0.64 1.61 2.02 -1.26 -2.47 118.70 124.96 1ajw s GLU 164 Ca 0.04 1.34 -0.02 0.00 0.02 0.00 0.00 54.97 56.34 1ajw s GLU 164 Cb -0.14 -3.34 0.06 0.00 0.10 0.00 0.00 34.13 30.81 1ajw s GLU 164 CO 0.03 0.34 0.90 0.00 0.02 0.00 0.00 175.26 176.54 1ajw s ALA 165 N -0.40 3.58 0.06 5.21 0.00 -1.22 -4.99 121.76 124.00 1ajw s ALA 165 Ca 0.42 -1.23 -0.31 0.00 0.00 0.00 0.00 51.96 50.84 1ajw s ALA 165 Cb -0.23 -2.27 -0.06 0.00 0.00 0.00 0.00 23.12 20.56 1ajw s ALA 165 CO 0.28 -1.07 1.25 -1.25 0.00 0.00 0.00 175.76 174.98 1ajw s PRO 166 N -5.01 4.39 0.45 0.00 0.04 -1.26 -4.47 135.00 129.15 1ajw s PRO 166 Ca 0.60 1.84 0.03 0.00 0.04 0.00 0.00 61.00 63.51 1ajw s PRO 166 Cb -0.10 -3.36 0.03 0.00 0.04 0.00 0.00 34.50 31.12 1ajw s PRO 166 CO 0.42 -0.33 0.24 0.36 0.04 0.00 0.00 177.00 177.73 1ajw n LYS 167 N 4.13 0.86 0.00 4.56 0.00 -0.76 -4.46 118.16 122.48 1ajw n LYS 167 Ca 0.10 -2.94 0.00 0.00 -0.00 0.00 0.00 58.31 55.47 1ajw n LYS 167 Cb 0.45 0.46 0.00 0.00 -0.00 0.00 0.00 35.03 35.94 1ajw n LYS 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ajw n GLY 168 N -0.41 0.18 0.29 2.58 0.00 -1.26 -4.02 105.19 102.55 1ajw n GLY 168 Ca -0.06 -1.39 0.10 0.00 0.00 0.00 0.00 46.02 44.67 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 0.09 -0.22 1.61 4.05 -1.97 0.87 114.93 119.36 1ajw h MET 169 Ca 0.00 -0.01 -0.13 0.00 -0.28 0.00 0.00 59.70 59.29 1ajw h MET 169 Cb 0.00 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.77 1ajw h MET 169 CO 0.00 0.06 -0.40 -0.07 0.23 0.00 0.00 176.91 176.73 1ajw h LEU 170 N 0.09 0.53 0.00 3.39 -0.00 -2.02 -3.04 115.31 114.26 1ajw h LEU 170 Ca 0.07 -0.23 -0.19 0.00 -0.00 0.00 0.00 57.88 57.53 1ajw h LEU 170 Cb 0.18 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 40.66 1ajw h LEU 170 CO -0.01 0.88 -1.33 0.00 -0.00 0.00 0.00 178.44 177.98 1ajw h ALA 171 N 1.15 0.66 -2.35 1.53 0.00 -1.21 -3.47 119.26 115.57 1ajw h ALA 171 Ca 0.04 -0.94 -0.56 0.00 0.00 0.00 0.00 54.91 53.45 1ajw h ALA 171 Cb 0.89 0.25 0.20 0.00 0.00 0.00 0.00 17.79 19.12 1ajw h ALA 171 CO 0.08 1.05 -0.55 -2.13 0.00 0.00 0.00 179.25 177.70 1ajw n ARG 172 N -3.00 0.15 0.00 0.00 0.63 0.29 -4.83 116.66 109.90 1ajw n ARG 172 Ca -0.09 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1ajw n ARG 172 Cb 0.88 -1.75 0.00 0.00 0.45 0.00 0.00 32.46 32.04 1ajw n ARG 172 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ajw n GLY 173 N 1.76 0.74 3.65 5.14 0.00 -1.19 -4.94 105.19 110.35 1ajw n GLY 173 Ca 0.09 -1.93 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 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 -4.00 5.54 -0.37 1.61 1.04 -1.26 0.11 113.70 116.37 1ajw s SER 174 Ca 0.00 0.10 -0.02 0.00 0.48 0.00 0.00 55.95 56.51 1ajw s SER 174 Cb 0.00 -1.87 0.09 0.00 0.10 0.00 0.00 66.02 64.34 1ajw s SER 174 CO 0.00 0.23 0.14 -0.31 0.98 0.00 0.00 173.24 174.28 1ajw s TYR 175 N 0.04 3.50 0.38 5.02 2.02 0.08 -4.55 117.35 123.84 1ajw s TYR 175 Ca 0.05 -2.27 -0.27 0.00 -0.37 0.00 0.00 57.07 54.22 1ajw s TYR 175 Cb -0.12 -2.88 -0.09 0.00 -0.40 0.00 0.00 41.96 38.47 1ajw s TYR 175 CO 0.01 -0.92 1.28 1.21 -1.57 0.00 0.00 175.55 175.56 1ajw s ASN 176 N 1.60 6.48 0.09 2.29 3.84 -0.72 -0.61 114.94 127.93 1ajw s ASN 176 Ca 0.05 2.61 0.04 0.00 0.21 0.00 0.00 52.86 55.76 1ajw s ASN 176 Cb -0.22 -2.64 -0.04 0.00 -0.55 0.00 0.00 41.25 37.81 1ajw s ASN 176 CO -0.03 -0.72 -0.10 -0.63 -2.79 0.00 0.00 177.10 172.82 1ajw s ILE 177 N -1.25 0.94 -0.30 -5.21 1.01 -0.23 0.11 121.20 116.27 1ajw s ILE 177 Ca 0.54 -1.62 0.02 0.00 0.00 0.00 0.00 60.65 59.60 1ajw s ILE 177 Cb -0.37 -1.33 0.09 0.00 0.01 0.00 0.00 42.46 40.85 1ajw s ILE 177 CO 0.48 -0.54 0.02 -0.75 0.00 0.00 0.00 174.94 174.15 1ajw s LYS 178 N -2.72 1.41 -0.30 2.79 2.36 0.74 -2.96 119.74 121.06 1ajw s LYS 178 Ca 0.05 -1.45 -0.14 0.00 -2.55 0.00 0.00 55.97 51.88 1ajw s LYS 178 Cb -0.03 -2.76 -0.03 0.00 -1.05 0.00 0.00 37.83 33.95 1ajw s LYS 178 CO 0.00 -0.84 0.33 -1.12 1.55 0.00 0.00 175.35 175.27 1ajw s SER 179 N 1.19 6.17 -0.32 1.43 0.01 -1.18 0.49 113.70 121.49 1ajw s SER 179 Ca 0.05 0.02 -0.04 0.00 1.31 0.00 0.00 55.95 57.29 1ajw s SER 179 Cb -0.19 -2.19 0.05 0.00 0.21 0.00 0.00 66.02 63.90 1ajw s SER 179 CO -0.11 -0.22 0.05 -0.13 0.41 0.00 0.00 173.24 173.25 1ajw s ARG 180 N 1.98 2.52 0.39 12.44 0.52 0.29 -2.33 118.95 134.77 1ajw s ARG 180 Ca 0.12 -1.23 -0.10 0.00 -0.52 0.00 0.00 55.73 53.99 1ajw s ARG 180 Cb -0.16 -3.33 -0.06 0.00 0.52 0.00 0.00 34.95 31.92 1ajw s ARG 180 CO 0.11 -0.65 0.75 0.12 0.02 0.00 0.00 175.30 175.65 1ajw s PHE 181 N 1.33 3.46 0.00 -0.53 2.19 -1.17 -2.20 117.98 121.05 1ajw s PHE 181 Ca -0.03 1.03 0.00 0.00 0.33 0.00 0.00 56.93 58.26 1ajw s PHE 181 Cb -0.20 -2.43 0.00 0.00 -1.31 0.00 0.00 43.02 39.09 1ajw s PHE 181 CO 0.01 -0.08 0.00 -2.37 1.83 0.00 0.00 175.22 174.61 1ajw n THR 182 N -1.21 0.00 -0.98 0.12 5.66 -1.19 -1.97 114.28 114.71 1ajw n THR 182 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 1ajw n THR 182 Cb 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 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 0.00 0.80 -1.98 1.09 5.75 -1.26 -3.08 116.55 117.88 1ajw n ASP 183 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 54.79 54.59 1ajw n ASP 183 Cb 0.00 0.00 0.15 0.00 -1.03 0.00 0.00 41.12 40.24 1ajw n ASP 183 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1ajw n ASP 184 N 0.00 3.61 -3.13 -1.12 5.75 -1.01 -4.40 116.55 116.25 1ajw n ASP 184 Ca 0.00 -3.28 -0.18 0.00 -0.01 0.00 0.00 54.79 51.32 1ajw n ASP 184 Cb 0.00 -0.77 -0.03 0.00 -1.03 0.00 0.00 41.12 39.29 1ajw n ASP 184 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1ajw n ASP 185 N -0.80 1.08 -0.59 -1.12 2.03 -1.26 -5.03 116.55 110.85 1ajw n ASP 185 Ca 0.48 -3.02 0.00 0.00 0.52 0.00 0.00 54.79 52.77 1ajw n ASP 185 Cb 1.44 -0.61 0.00 0.00 -0.72 0.00 0.00 41.12 41.23 1ajw n ASP 185 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1ajw n ARG 186 N 0.22 -0.06 -4.13 -0.67 0.00 -1.26 -4.83 116.66 105.93 1ajw n ARG 186 Ca 0.24 -0.03 -0.11 0.00 -0.00 0.00 0.00 57.85 57.95 1ajw n ARG 186 Cb 0.66 0.05 -0.09 0.00 -0.00 0.00 0.00 32.46 33.08 1ajw n ARG 186 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1ajw s THR 187 N -0.58 0.02 -0.47 8.89 -1.32 -1.26 -5.09 115.64 115.82 1ajw s THR 187 Ca 0.00 -1.82 -0.10 0.00 -1.21 0.00 0.00 61.69 58.55 1ajw s THR 187 Cb 0.00 -2.33 0.11 0.00 -1.51 0.00 0.00 72.50 68.77 1ajw s THR 187 CO 0.00 -0.09 0.35 1.51 -2.21 0.00 0.00 174.62 174.19 1ajw s ASP 188 N -3.10 5.78 0.07 8.08 -4.77 -1.26 -4.42 116.67 117.04 1ajw s ASP 188 Ca 0.32 -1.80 -0.33 0.00 -3.30 0.00 0.00 52.55 47.44 1ajw s ASP 188 Cb 0.05 -2.04 -0.19 0.00 -1.09 0.00 0.00 42.92 39.65 1ajw s ASP 188 CO 0.09 -0.69 1.60 0.45 0.70 0.00 0.00 175.17 177.32 1ajw h HIS 189 N 8.52 -0.83 -0.62 2.11 3.86 -1.71 -3.45 115.15 123.03 1ajw h HIS 189 Ca -0.23 -0.02 0.20 0.00 -1.16 0.00 0.00 60.37 59.16 1ajw h HIS 189 Cb 1.08 0.27 -0.23 0.00 1.06 0.00 0.00 27.41 29.60 1ajw h HIS 189 CO 0.65 -0.51 0.16 -1.17 0.86 0.00 0.00 177.93 177.92 1ajw s LEU 190 N -10.03 -0.55 -0.07 2.43 2.96 -1.26 -4.83 118.68 107.34 1ajw s LEU 190 Ca -0.17 0.51 0.04 0.00 -0.22 0.00 0.00 54.13 54.29 1ajw s LEU 190 Cb 0.03 1.53 -0.02 0.00 0.50 0.00 0.00 46.19 48.23 1ajw s LEU 190 CO 0.61 -0.10 -0.19 -0.55 -1.32 0.00 0.00 176.35 174.80 1ajw s SER 191 N 2.69 3.62 0.00 3.68 0.15 -1.26 -3.05 113.70 119.53 1ajw s SER 191 Ca 0.00 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.30 1ajw s SER 191 Cb -0.08 -0.97 0.00 0.00 -1.71 0.00 0.00 66.02 63.25 1ajw s SER 191 CO -0.15 0.27 0.00 -2.67 1.20 0.00 0.00 173.24 171.89 1ajw n TRP 192 N 2.80 0.00 -3.65 3.44 2.14 -0.98 -5.00 117.44 116.19 1ajw n TRP 192 Ca -0.17 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.32 1ajw n TRP 192 Cb 0.52 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 30.95 1ajw n TRP 192 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1ajw s GLU 193 N 1.10 0.66 -0.00 -2.67 2.02 -1.26 -3.12 118.70 115.43 1ajw s GLU 193 Ca 0.00 1.18 -0.05 0.00 0.02 0.00 0.00 54.97 56.12 1ajw s GLU 193 Cb 0.00 0.15 -0.00 0.00 0.10 0.00 0.00 34.13 34.38 1ajw s GLU 193 CO 0.00 -0.15 0.10 1.67 0.02 0.00 0.00 175.26 176.90 1ajw s TRP 194 N 1.68 0.05 0.01 1.61 1.48 -1.16 -4.51 118.94 118.09 1ajw s TRP 194 Ca -0.10 -0.12 -0.04 0.00 -1.06 0.00 0.00 56.10 54.79 1ajw s TRP 194 Cb -0.06 -0.06 -0.04 0.00 -1.16 0.00 0.00 33.47 32.15 1ajw s TRP 194 CO -0.19 -0.22 0.22 -0.80 -4.06 0.00 0.00 176.95 171.89 1ajw s ASN 195 N -1.11 6.41 -0.37 -2.66 0.01 -1.26 -1.07 114.94 114.89 1ajw s ASN 195 Ca -0.12 0.41 -0.07 0.00 -0.71 0.00 0.00 52.86 52.38 1ajw s ASN 195 Cb -0.07 -2.03 0.06 0.00 0.41 0.00 0.00 41.25 39.62 1ajw s ASN 195 CO 0.01 0.25 0.16 -0.22 -1.51 0.00 0.00 177.10 175.78 1ajw s LEU 196 N -1.95 4.67 -0.54 0.60 2.96 0.23 -0.75 118.68 123.89 1ajw s LEU 196 Ca 0.28 -1.35 -0.26 0.00 -0.22 0.00 0.00 54.13 52.58 1ajw s LEU 196 Cb -0.13 -1.90 0.03 0.00 0.50 0.00 0.00 46.19 44.70 1ajw s LEU 196 CO 0.19 -0.41 1.06 -0.89 -1.32 0.00 0.00 176.35 174.98 1ajw s THR 197 N 1.38 4.23 0.29 3.68 2.01 0.19 -0.74 115.64 126.68 1ajw s THR 197 Ca 0.01 0.70 -0.26 0.00 0.31 0.00 0.00 61.69 62.45 1ajw s THR 197 Cb -0.21 -4.61 -0.09 0.00 0.01 0.00 0.00 72.50 67.60 1ajw s THR 197 CO 0.02 -1.16 0.90 -0.63 -0.69 0.00 0.00 174.62 173.06 1ajw s ILE 198 N 4.39 4.25 0.00 1.82 -1.09 0.31 -1.06 121.20 129.81 1ajw s ILE 198 Ca 0.38 1.78 0.00 0.00 -2.23 0.00 0.00 60.65 60.58 1ajw s ILE 198 Cb -0.10 -4.04 0.00 0.00 -1.58 0.00 0.00 42.46 36.74 1ajw s ILE 198 CO 0.24 0.23 0.00 0.29 -1.23 0.00 0.00 174.94 174.47 1ajw n LYS 199 N 0.78 0.53 -0.00 2.79 5.02 0.31 -3.19 118.16 124.40 1ajw n LYS 199 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 1ajw n LYS 199 Cb 0.50 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.50 1ajw n LYS 199 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1ajw n LYS 200 N 0.00 0.38 -2.90 1.97 0.00 -1.26 0.11 118.16 116.45 1ajw n LYS 200 Ca 0.00 -0.01 -0.12 0.00 -0.00 0.00 0.00 58.31 58.18 1ajw n LYS 200 Cb 0.00 -1.00 0.04 0.00 -0.00 0.00 0.00 35.03 34.07 1ajw n LYS 200 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1ajw n GLU 201 N -1.51 0.98 0.17 -1.58 2.13 -1.26 -4.72 120.64 114.85 1ajw n GLU 201 Ca -0.00 -2.45 0.12 0.00 0.66 0.00 0.00 57.16 55.49 1ajw n GLU 201 Cb 0.03 -1.29 0.62 0.00 0.27 0.00 0.00 31.44 31.06 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 3.09 0.00 -0.65 4.31 5.08 -1.90 -2.40 115.95 123.48 1ajw h TRP 202 Ca -0.03 0.00 -0.46 0.00 1.08 0.00 0.00 58.89 59.48 1ajw h TRP 202 Cb 1.04 0.00 -0.33 0.00 -3.00 0.00 0.00 29.16 26.88 1ajw h TRP 202 CO 0.36 0.00 -0.49 0.36 -1.28 0.00 0.00 178.44 177.39 1ajw n LYS 203 N -2.34 3.06 0.00 0.12 -0.00 -1.26 -4.77 118.16 112.98 1ajw n LYS 203 Ca -0.01 -3.85 0.07 0.00 -0.00 0.00 0.00 58.31 54.52 1ajw n LYS 203 Cb 0.09 -2.15 0.42 0.00 -0.00 0.00 0.00 35.03 33.39 1ajw n LYS 203 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00