#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 -2.64 0.00 0.24 -1.26 -4.72 118.33 109.95 1ajw n VAL 61 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1ajw n VAL 61 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 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 -3.68 -2.67 -0.05 -1.34 3.41 -1.26 -4.51 113.62 103.53 1ajw n SER 62 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 1ajw n SER 62 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1ajw n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ajw n ALA 63 N 0.48 1.85 -3.89 7.33 0.00 -1.26 -4.81 120.51 120.21 1ajw n ALA 63 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 53.44 52.49 1ajw n ALA 63 Cb 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 19.45 19.27 1ajw n ALA 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ajw s ASP 64 N -4.18 4.72 1.01 0.00 1.01 -1.26 -5.09 116.67 112.88 1ajw s ASP 64 Ca -0.05 -3.42 -0.15 0.00 0.71 0.00 0.00 52.55 49.64 1ajw s ASP 64 Cb 0.04 -1.67 0.19 0.00 1.01 0.00 0.00 42.92 42.49 1ajw s ASP 64 CO 0.46 -0.17 1.15 -2.16 0.21 0.00 0.00 175.17 174.65 1ajw s PRO 65 N -0.86 0.32 0.76 8.23 0.04 -1.26 -5.02 135.00 137.21 1ajw s PRO 65 Ca 0.21 0.13 -0.11 0.00 0.04 0.00 0.00 61.00 61.28 1ajw s PRO 65 Cb -0.15 -1.76 0.05 0.00 0.04 0.00 0.00 34.50 32.68 1ajw s PRO 65 CO -0.08 -2.72 1.08 0.54 0.04 0.00 0.00 177.00 175.86 1ajw s ASN 66 N -4.02 4.67 0.07 6.66 2.20 -1.26 -5.04 114.94 118.22 1ajw s ASN 66 Ca 0.67 1.66 0.07 0.00 -0.94 0.00 0.00 52.86 54.32 1ajw s ASN 66 Cb -0.13 -2.42 -0.04 0.00 -2.00 0.00 0.00 41.25 36.67 1ajw s ASN 66 CO 0.55 -1.91 -0.13 0.68 -2.94 0.00 0.00 177.10 173.35 1ajw s VAL 67 N -2.98 3.19 0.52 3.54 -7.23 -1.26 -5.01 120.40 111.17 1ajw s VAL 67 Ca 0.60 -1.19 -0.09 0.00 -1.81 0.00 0.00 61.98 59.50 1ajw s VAL 67 Cb -0.16 -2.43 0.13 0.00 0.56 0.00 0.00 36.38 34.48 1ajw s VAL 67 CO 0.56 0.23 0.55 -0.81 -0.31 0.00 0.00 175.10 175.31 1ajw n PRO 68 N 1.11 -1.43 -0.03 4.82 -0.04 -1.26 -5.00 135.00 133.17 1ajw n PRO 68 Ca -0.15 -0.86 -0.01 0.00 -0.04 0.00 0.00 63.50 62.45 1ajw n PRO 68 Cb 0.52 -0.70 -0.00 0.00 -0.04 0.00 0.00 33.50 33.28 1ajw n PRO 68 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1ajw h ASN 69 N -1.40 0.00 -3.24 3.54 -0.00 -1.89 -3.39 115.58 109.21 1ajw h ASN 69 Ca -0.19 0.00 -0.31 0.00 -0.00 0.00 0.00 56.30 55.79 1ajw h ASN 69 Cb 0.56 0.00 -0.36 0.00 -0.00 0.00 0.00 38.32 38.52 1ajw h ASN 69 CO 0.13 0.36 -0.68 -0.69 -0.00 0.00 0.00 177.43 176.55 1ajw s VAL 70 N -1.46 -0.17 -0.12 2.57 1.01 -1.26 -3.26 120.40 117.71 1ajw s VAL 70 Ca -0.03 0.35 -0.10 0.00 0.00 0.00 0.00 61.98 62.20 1ajw s VAL 70 Cb 0.00 -0.22 0.04 0.00 0.00 0.00 0.00 36.38 36.20 1ajw s VAL 70 CO 0.04 0.15 0.32 -0.69 0.00 0.00 0.00 175.10 174.91 1ajw s VAL 71 N 2.01 -0.01 -0.33 2.92 1.01 -1.25 -4.64 120.40 120.11 1ajw s VAL 71 Ca 0.01 0.03 -0.28 0.00 0.00 0.00 0.00 61.98 61.75 1ajw s VAL 71 Cb -0.12 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 1ajw s VAL 71 CO -0.05 0.01 1.92 -0.69 0.00 0.00 0.00 175.10 176.30 1ajw s VAL 72 N 0.50 3.35 -0.02 2.92 1.01 -1.26 -3.20 120.40 123.69 1ajw s VAL 72 Ca -0.03 0.34 -0.13 0.00 0.00 0.00 0.00 61.98 62.16 1ajw s VAL 72 Cb -0.04 -3.50 -0.07 0.00 0.00 0.00 0.00 36.38 32.76 1ajw s VAL 72 CO -0.03 -0.35 0.67 0.71 0.00 0.00 0.00 175.10 176.10 1ajw h THR 73 N 6.93 0.00 -4.13 3.92 1.35 0.57 -3.38 112.91 118.16 1ajw h THR 73 Ca -0.34 -0.39 -0.15 0.00 -0.55 0.00 0.00 66.41 64.98 1ajw h THR 73 Cb 1.19 0.00 -0.13 0.00 -1.73 0.00 0.00 68.15 67.48 1ajw h THR 73 CO 1.04 0.00 -0.42 -0.13 -0.25 0.00 0.00 175.52 175.76 1ajw s ARG 74 N -3.19 1.23 -0.04 4.72 0.52 -1.14 -0.78 118.95 120.27 1ajw s ARG 74 Ca -0.07 -1.38 0.05 0.00 -0.52 0.00 0.00 55.73 53.81 1ajw s ARG 74 Cb 0.01 0.35 -0.01 0.00 0.52 0.00 0.00 34.95 35.82 1ajw s ARG 74 CO 0.21 -0.44 -0.18 -1.17 0.02 0.00 0.00 175.30 173.74 1ajw s LEU 75 N -3.05 1.95 0.09 2.53 0.20 -0.96 -1.55 118.68 117.89 1ajw s LEU 75 Ca 0.26 -0.36 0.08 0.00 0.69 0.00 0.00 54.13 54.80 1ajw s LEU 75 Cb 0.04 -0.99 -0.03 0.00 -0.43 0.00 0.00 46.19 44.78 1ajw s LEU 75 CO 0.06 0.17 -0.20 -0.89 -0.29 0.00 0.00 176.35 175.21 1ajw s THR 76 N -0.07 1.62 -0.27 3.68 2.01 -0.80 0.27 115.64 122.08 1ajw s THR 76 Ca -0.02 -1.45 -0.02 0.00 0.31 0.00 0.00 61.69 60.51 1ajw s THR 76 Cb -0.11 -1.47 0.09 0.00 0.01 0.00 0.00 72.50 71.02 1ajw s THR 76 CO 0.02 -0.04 0.08 -0.76 -0.69 0.00 0.00 174.62 173.22 1ajw s LEU 77 N -1.77 1.63 0.48 4.42 1.02 -1.16 -0.31 118.68 122.99 1ajw s LEU 77 Ca 0.05 -1.30 0.02 0.00 0.02 0.00 0.00 54.13 52.92 1ajw s LEU 77 Cb -0.10 -0.70 0.01 0.00 0.02 0.00 0.00 46.19 45.42 1ajw s LEU 77 CO 0.04 -0.38 0.69 -0.69 0.02 0.00 0.00 176.35 176.03 1ajw s VAL 78 N 1.77 3.44 0.00 -1.59 1.01 -1.07 -3.15 120.40 120.81 1ajw s VAL 78 Ca 0.06 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1ajw s VAL 78 Cb -0.17 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1ajw s VAL 78 CO -0.21 -0.18 0.00 0.00 0.00 0.00 0.00 175.10 174.72 1ajw n SER 80 N -0.27 2.01 -1.38 0.00 7.64 -1.26 -4.62 113.62 115.73 1ajw n SER 80 Ca 0.00 0.06 -0.05 0.00 1.01 0.00 0.00 58.87 59.89 1ajw n SER 80 Cb 0.00 -0.40 0.22 0.00 -1.01 0.00 0.00 64.21 63.02 1ajw n SER 80 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ajw n THR 81 N -3.40 2.66 -2.89 0.44 -2.24 -1.26 -5.01 114.28 102.58 1ajw n THR 81 Ca -0.33 -2.31 -0.25 0.00 -2.27 0.00 0.00 64.05 58.88 1ajw n THR 81 Cb 0.79 -0.34 0.01 0.00 -2.10 0.00 0.00 70.33 68.69 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 -3.15 3.58 0.16 6.98 0.00 -1.26 -4.65 121.76 123.42 1ajw s ALA 82 Ca 0.47 -0.82 0.20 0.00 0.00 0.00 0.00 51.96 51.81 1ajw s ALA 82 Cb 0.41 -2.32 0.76 0.00 0.00 0.00 0.00 23.12 21.97 1ajw s ALA 82 CO 0.05 -0.36 1.77 -1.00 0.00 0.00 0.00 175.76 176.22 1ajw h PRO 83 N 0.34 0.00 0.00 0.00 0.13 -1.95 -3.49 132.00 127.03 1ajw h PRO 83 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ajw h PRO 83 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1ajw h PRO 83 CO 0.60 0.32 0.00 0.41 -0.23 0.00 0.00 178.00 179.10 1ajw n GLY 84 N 0.18 0.11 3.57 1.56 0.00 -1.26 -5.07 105.19 104.28 1ajw n GLY 84 Ca -0.00 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 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 3.05 -0.32 1.61 0.04 -1.26 -4.77 135.00 131.36 1ajw s PRO 85 Ca 0.00 0.78 -0.28 0.00 0.04 0.00 0.00 61.00 61.54 1ajw s PRO 85 Cb 0.00 -4.24 -0.03 0.00 0.04 0.00 0.00 34.50 30.26 1ajw s PRO 85 CO 0.00 -2.22 1.99 -0.51 0.04 0.00 0.00 177.00 176.30 1ajw s LEU 86 N 7.43 3.46 0.11 -3.56 1.43 -1.19 -4.62 118.68 121.74 1ajw s LEU 86 Ca 0.65 1.44 -0.22 0.00 -1.03 0.00 0.00 54.13 54.97 1ajw s LEU 86 Cb -0.14 -3.39 -0.07 0.00 0.03 0.00 0.00 46.19 42.61 1ajw s LEU 86 CO 0.26 -1.91 0.67 -1.61 0.23 0.00 0.00 176.35 173.99 1ajw s GLU 87 N 6.14 4.38 0.12 1.70 2.02 -1.25 -2.98 118.70 128.83 1ajw s GLU 87 Ca 0.87 0.94 0.11 0.00 0.02 0.00 0.00 54.97 56.91 1ajw s GLU 87 Cb -0.25 -3.26 -0.04 0.00 0.10 0.00 0.00 34.13 30.68 1ajw s GLU 87 CO 0.33 0.59 -0.27 -1.17 0.02 0.00 0.00 175.26 174.76 1ajw s LEU 88 N -1.06 2.30 -0.28 1.80 0.20 0.14 -4.87 118.68 116.91 1ajw s LEU 88 Ca 0.32 -0.73 -0.10 0.00 0.69 0.00 0.00 54.13 54.32 1ajw s LEU 88 Cb -0.21 -1.22 -0.03 0.00 -0.43 0.00 0.00 46.19 44.30 1ajw s LEU 88 CO 0.22 0.19 0.14 -0.62 -0.29 0.00 0.00 176.35 176.00 1ajw s ASP 89 N -1.97 5.60 -0.39 3.68 2.15 -1.26 -2.26 116.67 122.22 1ajw s ASP 89 Ca 0.14 -0.25 0.11 0.00 0.43 0.00 0.00 52.55 52.97 1ajw s ASP 89 Cb -0.10 -2.03 0.44 0.00 -0.30 0.00 0.00 42.92 40.93 1ajw s ASP 89 CO 0.06 -0.10 1.04 0.18 -0.17 0.00 0.00 175.17 176.17 1ajw n LEU 90 N 5.00 3.24 0.00 -1.34 4.77 0.04 -4.75 117.00 123.95 1ajw n LEU 90 Ca -0.15 -4.55 0.00 0.00 -0.03 0.00 0.00 56.01 51.29 1ajw n LEU 90 Cb 0.51 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1ajw n LEU 90 CO 0.33 1.94 0.00 0.35 -1.33 0.00 0.00 177.39 178.67 1ajw n THR 91 N -0.29 0.00 0.02 -5.08 -2.24 -1.25 -4.33 114.28 101.10 1ajw n THR 91 Ca 0.26 0.32 0.00 0.00 -2.27 0.00 0.00 64.05 62.36 1ajw n THR 91 Cb 0.73 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 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 1.90 -0.02 3.56 3.38 0.00 -1.26 -4.92 105.19 107.83 1ajw n GLY 92 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1ajw n GLY 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ajw s ASP 93 N -5.19 6.39 0.12 1.61 1.11 -1.26 -4.74 116.67 114.72 1ajw s ASP 93 Ca 0.00 -1.55 0.17 0.00 0.18 0.00 0.00 52.55 51.35 1ajw s ASP 93 Cb 0.00 -2.57 -0.08 0.00 1.07 0.00 0.00 42.92 41.34 1ajw s ASP 93 CO 0.00 -1.61 0.98 -0.07 1.18 0.00 0.00 175.17 175.65 1ajw h LEU 94 N 13.36 0.00 -2.19 1.23 3.38 -1.91 -3.33 115.31 125.85 1ajw h LEU 94 Ca 0.23 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.23 1ajw h LEU 94 Cb 0.98 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1ajw h LEU 94 CO 1.41 0.52 0.28 -0.33 0.09 0.00 0.00 178.44 180.41 1ajw h GLU 95 N 0.00 0.00 -0.14 1.13 3.07 -1.95 -1.70 114.58 114.98 1ajw h GLU 95 Ca -0.12 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.79 1ajw h GLU 95 Cb 1.50 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.40 1ajw h GLU 95 CO 0.05 0.00 0.31 1.03 -1.40 0.00 0.00 179.01 179.00 1ajw h SER 96 N 0.00 0.00 -0.17 1.42 0.87 -1.95 -1.78 113.55 111.94 1ajw h SER 96 Ca 0.04 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1ajw h SER 96 Cb 0.60 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 1ajw h SER 96 CO -0.00 0.00 0.09 -0.26 -0.53 0.00 0.00 176.83 176.13 1ajw h PHE 97 N 0.00 0.24 -0.02 2.24 0.04 -1.54 -1.08 116.94 116.82 1ajw h PHE 97 Ca 0.07 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.84 1ajw h PHE 97 Cb 0.69 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.76 1ajw h PHE 97 CO 0.00 0.25 0.03 0.87 -0.60 0.00 0.00 178.31 178.86 1ajw h LYS 98 N 0.17 0.00 0.00 1.51 1.57 -1.56 -1.37 116.57 116.90 1ajw h LYS 98 Ca 0.06 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.67 1ajw h LYS 98 Cb 0.09 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1ajw h LYS 98 CO -0.01 0.00 -1.19 -0.22 -0.57 0.00 0.00 179.45 177.46 1ajw h LYS 99 N 0.00 0.00 -4.18 3.15 3.64 -1.44 -3.46 116.57 114.29 1ajw h LYS 99 Ca 0.01 0.00 -0.44 0.00 -1.27 0.00 0.00 60.65 58.95 1ajw h LYS 99 Cb 0.07 0.00 -0.34 0.00 -0.41 0.00 0.00 32.23 31.55 1ajw h LYS 99 CO -0.00 0.42 -0.78 -0.65 -2.27 0.00 0.00 179.45 176.17 1ajw s GLN 100 N -2.88 1.08 0.29 1.90 -0.21 -0.48 -5.13 119.66 114.23 1ajw s GLN 100 Ca -0.01 -0.20 0.03 0.00 0.02 0.00 0.00 55.36 55.21 1ajw s GLN 100 Cb 0.08 -1.00 0.03 0.00 1.00 0.00 0.00 33.01 33.13 1ajw s GLN 100 CO 0.80 -0.05 0.27 -1.13 -2.12 0.00 0.00 175.29 173.06 1ajw n SER 101 N 3.96 1.67 -4.10 5.90 3.41 -1.26 -4.54 113.62 118.67 1ajw n SER 101 Ca -0.25 -1.93 -0.36 0.00 -0.26 0.00 0.00 58.87 56.08 1ajw n SER 101 Cb 0.51 -0.08 -0.11 0.00 -0.26 0.00 0.00 64.21 64.27 1ajw n SER 101 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1ajw s PHE 102 N -1.25 3.51 0.44 7.33 0.40 -0.45 -4.86 117.98 123.10 1ajw s PHE 102 Ca 0.21 -2.59 -0.25 0.00 -0.60 0.00 0.00 56.93 53.69 1ajw s PHE 102 Cb -0.02 -3.18 -0.08 0.00 0.51 0.00 0.00 43.02 40.25 1ajw s PHE 102 CO 0.13 -0.91 1.39 0.08 0.70 0.00 0.00 175.22 176.61 1ajw s VAL 103 N 0.62 2.24 0.30 -0.44 1.01 -1.25 -1.64 120.40 121.24 1ajw s VAL 103 Ca 0.12 0.21 -0.17 0.00 0.00 0.00 0.00 61.98 62.14 1ajw s VAL 103 Cb -0.22 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.06 1ajw s VAL 103 CO -0.04 0.03 0.66 -0.76 0.00 0.00 0.00 175.10 174.99 1ajw s LEU 104 N -2.66 0.02 0.38 3.92 1.43 0.18 -4.88 118.68 117.06 1ajw s LEU 104 Ca 0.60 -0.86 -0.05 0.00 -1.03 0.00 0.00 54.13 52.79 1ajw s LEU 104 Cb -0.42 2.45 -0.04 0.00 0.03 0.00 0.00 46.19 48.21 1ajw s LEU 104 CO 0.54 -1.37 0.67 -0.75 0.23 0.00 0.00 176.35 175.66 1ajw s LYS 105 N -3.53 3.60 0.00 1.70 2.20 -1.26 0.11 119.74 122.56 1ajw s LYS 105 Ca 0.16 0.07 -0.00 0.00 -0.36 0.00 0.00 55.97 55.84 1ajw s LYS 105 Cb -0.04 -2.52 0.00 0.00 -1.51 0.00 0.00 37.83 33.76 1ajw s LYS 105 CO 0.09 0.02 0.00 0.39 -0.36 0.00 0.00 175.35 175.50 1ajw n GLU 106 N -1.61 -0.00 -2.69 4.03 1.02 0.12 -3.40 120.64 118.10 1ajw n GLU 106 Ca -0.01 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.08 1ajw n GLU 106 Cb 0.55 -0.00 0.09 0.00 -0.02 0.00 0.00 31.44 32.06 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 -1.00 -0.95 3.75 0.62 0.00 -1.26 -1.59 105.19 104.75 1ajw n GLY 107 Ca 0.00 0.64 -0.41 0.00 0.00 0.00 0.00 46.02 46.26 1ajw n GLY 107 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ajw s VAL 108 N 0.18 3.72 -0.57 1.61 -7.23 -1.22 -3.90 120.40 112.99 1ajw s VAL 108 Ca 0.23 1.60 -0.28 0.00 -1.81 0.00 0.00 61.98 61.73 1ajw s VAL 108 Cb 0.27 -4.02 0.02 0.00 0.56 0.00 0.00 36.38 33.21 1ajw s VAL 108 CO -0.15 0.33 1.33 -1.83 -0.31 0.00 0.00 175.10 174.47 1ajw s GLU 109 N -0.88 3.38 0.41 4.82 -1.05 -1.26 -2.76 118.70 121.36 1ajw s GLU 109 Ca 0.47 0.36 0.06 0.00 -0.15 0.00 0.00 54.97 55.70 1ajw s GLU 109 Cb -0.30 -4.08 -0.07 0.00 -0.44 0.00 0.00 34.13 29.23 1ajw s GLU 109 CO 0.37 -1.85 0.02 1.52 0.95 0.00 0.00 175.26 176.27 1ajw s TYR 110 N 5.63 2.34 0.05 4.83 -0.85 -1.18 -4.59 117.35 123.58 1ajw s TYR 110 Ca 0.48 -0.76 0.08 0.00 -0.52 0.00 0.00 57.07 56.35 1ajw s TYR 110 Cb -0.09 -1.67 -0.03 0.00 0.38 0.00 0.00 41.96 40.55 1ajw s TYR 110 CO 0.25 0.34 -0.20 1.03 -1.52 0.00 0.00 175.55 175.44 1ajw s ARG 111 N -3.76 1.96 -0.12 -3.49 0.52 -1.15 0.99 118.95 113.90 1ajw s ARG 111 Ca 0.32 -1.04 -0.06 0.00 -0.52 0.00 0.00 55.73 54.43 1ajw s ARG 111 Cb 0.09 -2.12 -0.04 0.00 0.52 0.00 0.00 34.95 33.40 1ajw s ARG 111 CO 0.16 0.52 0.11 0.42 0.02 0.00 0.00 175.30 176.53 1ajw s ILE 112 N -0.92 5.23 -0.55 1.52 1.01 -1.20 -2.61 121.20 123.67 1ajw s ILE 112 Ca 0.14 0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.91 1ajw s ILE 112 Cb -0.10 -3.27 0.14 0.00 0.01 0.00 0.00 42.46 39.24 1ajw s ILE 112 CO 0.05 0.61 0.32 -0.54 0.00 0.00 0.00 174.94 175.37 1ajw s LYS 113 N -0.92 2.17 0.44 2.79 -0.14 0.57 -0.77 119.74 123.89 1ajw s LYS 113 Ca 0.14 -2.56 -0.22 0.00 -1.36 0.00 0.00 55.97 51.97 1ajw s LYS 113 Cb -0.12 -3.46 -0.09 0.00 -1.68 0.00 0.00 37.83 32.48 1ajw s LYS 113 CO 0.03 -1.13 1.06 0.42 -0.76 0.00 0.00 175.35 174.98 1ajw s ILE 114 N -0.17 3.67 -0.04 2.17 -1.09 -1.10 -1.91 121.20 122.74 1ajw s ILE 114 Ca 0.17 1.17 0.03 0.00 -2.23 0.00 0.00 60.65 59.79 1ajw s ILE 114 Cb -0.24 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 1ajw s ILE 114 CO -0.02 -0.10 -0.11 -0.44 -1.23 0.00 0.00 174.94 173.05 1ajw s SER 115 N -1.72 1.48 0.14 3.58 0.01 -0.59 -1.23 113.70 115.37 1ajw s SER 115 Ca 0.63 -0.23 -0.17 0.00 1.31 0.00 0.00 55.95 57.48 1ajw s SER 115 Cb -0.20 -0.45 0.04 0.00 0.21 0.00 0.00 66.02 65.61 1ajw s SER 115 CO 0.25 0.08 0.44 0.72 0.41 0.00 0.00 173.24 175.14 1ajw s PHE 116 N 0.25 -0.23 -0.15 2.43 -0.71 -1.19 0.11 117.98 118.50 1ajw s PHE 116 Ca -0.05 -0.08 -0.04 0.00 -1.04 0.00 0.00 56.93 55.72 1ajw s PHE 116 Cb -0.10 0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 41.98 1ajw s PHE 116 CO 0.01 -0.75 -0.02 1.03 -1.34 0.00 0.00 175.22 174.15 1ajw s ARG 117 N -3.81 3.60 -0.46 1.99 1.81 -1.19 -1.04 118.95 119.85 1ajw s ARG 117 Ca 0.04 -0.49 0.04 0.00 -1.72 0.00 0.00 55.73 53.60 1ajw s ARG 117 Cb 0.01 -2.92 0.12 0.00 -0.45 0.00 0.00 34.95 31.71 1ajw s ARG 117 CO -0.11 0.31 0.19 0.08 -0.68 0.00 0.00 175.30 175.10 1ajw s VAL 118 N 0.18 2.47 -0.39 3.52 1.01 -1.20 -3.86 120.40 122.13 1ajw s VAL 118 Ca -0.01 -3.01 0.11 0.00 0.00 0.00 0.00 61.98 59.07 1ajw s VAL 118 Cb -0.14 -2.75 0.44 0.00 0.00 0.00 0.00 36.38 33.94 1ajw s VAL 118 CO 0.02 -0.74 1.03 0.59 0.00 0.00 0.00 175.10 176.01 1ajw n ASN 119 N 3.47 3.17 0.08 3.32 3.02 -1.20 -4.18 115.26 122.93 1ajw n ASN 119 Ca 0.05 -3.25 0.00 0.00 -0.03 0.00 0.00 54.58 51.35 1ajw n ASN 119 Cb 0.35 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 1ajw n ASN 119 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ajw n ARG 120 N -0.28 0.00 -4.16 3.52 5.12 -1.26 -4.64 116.66 114.96 1ajw n ARG 120 Ca 0.25 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 56.06 1ajw n ARG 120 Cb 0.73 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.94 1ajw n ARG 120 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1ajw s GLU 121 N -1.47 1.23 -0.53 5.56 -1.05 -1.26 -4.78 118.70 116.40 1ajw s GLU 121 Ca 0.00 -1.55 -0.27 0.00 -0.15 0.00 0.00 54.97 53.00 1ajw s GLU 121 Cb 0.00 0.30 -0.03 0.00 -0.44 0.00 0.00 34.13 33.95 1ajw s GLU 121 CO 0.00 -0.42 2.01 0.42 0.95 0.00 0.00 175.26 178.23 1ajw s ILE 122 N -4.13 3.26 -1.37 1.83 1.01 -1.26 -4.12 121.20 116.43 1ajw s ILE 122 Ca 0.35 0.18 -0.16 0.00 0.00 0.00 0.00 60.65 61.02 1ajw s ILE 122 Cb 0.06 -3.61 0.05 0.00 0.01 0.00 0.00 42.46 38.97 1ajw s ILE 122 CO 0.11 -0.56 1.97 0.52 0.00 0.00 0.00 174.94 176.97 1ajw n VAL 123 N 7.47 3.70 -2.74 2.92 0.31 -1.10 -4.85 118.33 124.03 1ajw n VAL 123 Ca 0.26 -3.57 -0.43 0.00 -0.01 0.00 0.00 64.34 60.58 1ajw n VAL 123 Cb 0.52 -2.47 -0.03 0.00 -0.91 0.00 0.00 33.84 30.95 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 3.77 6.58 0.00 4.52 1.04 -1.26 -3.04 113.70 125.31 1ajw s SER 124 Ca 0.51 0.33 0.00 0.00 0.48 0.00 0.00 55.95 57.27 1ajw s SER 124 Cb 0.09 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.72 1ajw s SER 124 CO 0.00 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.75 1ajw n GLY 125 N 4.78 1.98 3.61 7.32 0.00 -1.26 -4.34 105.19 117.29 1ajw n GLY 125 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.27 3.38 0.31 1.61 0.00 -1.16 0.99 119.30 124.17 1ajw s MET 126 Ca 0.00 2.00 0.07 0.00 0.00 0.00 0.00 55.69 57.76 1ajw s MET 126 Cb 0.00 -4.28 -0.03 0.00 0.00 0.00 0.00 34.83 30.52 1ajw s MET 126 CO 0.00 -1.81 0.31 0.15 0.00 0.00 0.00 175.02 173.67 1ajw s LYS 127 N 5.79 2.89 -0.15 4.11 1.02 0.29 0.11 119.74 133.80 1ajw s LYS 127 Ca 0.93 -1.16 -0.04 0.00 0.02 0.00 0.00 55.97 55.72 1ajw s LYS 127 Cb -0.32 -2.59 0.05 0.00 -0.52 0.00 0.00 37.83 34.46 1ajw s LYS 127 CO 0.35 0.17 0.06 -0.47 -0.92 0.00 0.00 175.35 174.55 1ajw s TYR 128 N -2.22 0.44 0.33 3.18 5.04 -0.18 -2.10 117.35 121.84 1ajw s TYR 128 Ca 0.40 -0.38 0.02 0.00 -2.44 0.00 0.00 57.07 54.67 1ajw s TYR 128 Cb -0.07 -0.77 -0.02 0.00 0.35 0.00 0.00 41.96 41.45 1ajw s TYR 128 CO 0.27 -0.48 0.51 0.42 -1.34 0.00 0.00 175.55 174.93 1ajw s ILE 129 N 2.05 4.86 -0.30 3.14 -1.09 -1.19 -1.00 121.20 127.67 1ajw s ILE 129 Ca 0.02 -0.68 -0.12 0.00 -2.23 0.00 0.00 60.65 57.64 1ajw s ILE 129 Cb -0.15 -3.75 0.16 0.00 -1.58 0.00 0.00 42.46 37.14 1ajw s ILE 129 CO -0.08 -0.42 0.89 -1.58 -1.23 0.00 0.00 174.94 172.53 1ajw s GLN 130 N -4.24 0.36 -0.14 2.79 0.74 -0.84 -2.66 119.66 115.67 1ajw s GLN 130 Ca 0.40 0.86 -0.02 0.00 0.05 0.00 0.00 55.36 56.65 1ajw s GLN 130 Cb -0.09 0.51 -0.02 0.00 1.10 0.00 0.00 33.01 34.50 1ajw s GLN 130 CO 0.34 -0.18 -0.06 -1.01 -0.55 0.00 0.00 175.29 173.83 1ajw s HIS 131 N 2.64 2.97 -0.88 1.67 3.76 0.28 -0.06 115.29 125.67 1ajw s HIS 131 Ca -0.01 -0.35 -0.21 0.00 -0.15 0.00 0.00 55.06 54.34 1ajw s HIS 131 Cb -0.09 -1.90 0.09 0.00 1.11 0.00 0.00 32.58 31.79 1ajw s HIS 131 CO -0.17 -0.04 1.18 0.99 -0.85 0.00 0.00 174.74 175.85 1ajw s THR 132 N 0.23 4.36 -0.04 1.30 2.01 0.30 -1.50 115.64 122.31 1ajw s THR 132 Ca -0.04 -0.95 -0.30 0.00 0.31 0.00 0.00 61.69 60.71 1ajw s THR 132 Cb -0.14 -4.84 -0.03 0.00 0.01 0.00 0.00 72.50 67.50 1ajw s THR 132 CO 0.03 -1.63 1.07 -0.31 -0.69 0.00 0.00 174.62 173.09 1ajw s TYR 133 N 3.79 3.48 -0.07 4.92 1.51 0.95 -1.92 117.35 130.01 1ajw s TYR 133 Ca 0.34 1.50 0.03 0.00 -1.01 0.00 0.00 57.07 57.93 1ajw s TYR 133 Cb -0.07 -3.25 0.01 0.00 -0.11 0.00 0.00 41.96 38.54 1ajw s TYR 133 CO -0.03 -0.54 -0.16 0.50 -1.11 0.00 0.00 175.55 174.20 1ajw s ARG 134 N 1.61 2.10 -1.24 -0.62 3.52 0.29 -1.85 118.95 122.76 1ajw s ARG 134 Ca 0.53 -0.58 0.00 0.00 -0.13 0.00 0.00 55.73 55.54 1ajw s ARG 134 Cb -0.22 -1.69 0.00 0.00 -1.56 0.00 0.00 34.95 31.48 1ajw s ARG 134 CO 0.23 0.11 0.00 1.63 -0.81 0.00 0.00 175.30 176.46 1ajw n LYS 135 N 3.61 -2.01 0.00 5.12 4.76 -1.26 -0.19 118.16 128.19 1ajw n LYS 135 Ca -0.21 0.70 0.00 0.00 -2.87 0.00 0.00 58.31 55.93 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 3.14 3.73 0.72 0.00 -1.26 -5.03 105.19 105.71 1ajw n GLY 136 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.13 4.37 0.24 1.61 -7.23 0.74 -5.06 120.40 112.93 1ajw s VAL 137 Ca 0.00 -0.61 -0.30 0.00 -1.81 0.00 0.00 61.98 59.26 1ajw s VAL 137 Cb 0.00 -3.00 -0.09 0.00 0.56 0.00 0.00 36.38 33.85 1ajw s VAL 137 CO 0.00 0.30 1.04 -1.59 -0.31 0.00 0.00 175.10 174.55 1ajw s LYS 138 N -1.82 4.70 -0.00 4.82 -2.85 -1.26 0.11 119.74 123.43 1ajw s LYS 138 Ca 0.23 1.67 0.00 0.00 -1.00 0.00 0.00 55.97 56.87 1ajw s LYS 138 Cb -0.12 -3.25 -0.00 0.00 -2.06 0.00 0.00 37.83 32.40 1ajw s LYS 138 CO 0.14 0.27 0.00 0.44 0.10 0.00 0.00 175.35 176.31 1ajw n ILE 139 N 1.63 0.00 -3.64 3.79 -5.35 -0.81 -4.85 119.36 110.14 1ajw n ILE 139 Ca -0.00 -0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.44 1ajw n ILE 139 Cb 0.46 -0.13 -0.07 0.00 -1.74 0.00 0.00 39.64 38.16 1ajw n ILE 139 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1ajw s ASP 140 N -2.44 -0.29 0.41 7.28 2.15 -1.24 -5.01 116.67 117.53 1ajw s ASP 140 Ca -0.00 0.50 0.03 0.00 0.43 0.00 0.00 52.55 53.51 1ajw s ASP 140 Cb 0.00 0.81 -0.04 0.00 -0.30 0.00 0.00 42.92 43.40 1ajw s ASP 140 CO 0.01 -0.08 0.08 -1.59 -0.17 0.00 0.00 175.17 173.41 1ajw s LYS 141 N 0.68 1.92 -0.12 4.34 -2.85 -1.26 0.11 119.74 122.55 1ajw s LYS 141 Ca -0.02 -2.15 -0.20 0.00 -1.00 0.00 0.00 55.97 52.60 1ajw s LYS 141 Cb -0.04 -0.93 0.05 0.00 -2.06 0.00 0.00 37.83 34.85 1ajw s LYS 141 CO -0.12 -0.35 0.50 0.99 0.10 0.00 0.00 175.35 176.46 1ajw s THR 142 N -3.13 0.01 -0.18 3.79 2.01 0.91 -4.95 115.64 114.10 1ajw s THR 142 Ca 0.24 -0.12 -0.01 0.00 0.31 0.00 0.00 61.69 62.10 1ajw s THR 142 Cb 0.04 -0.75 -0.00 0.00 0.01 0.00 0.00 72.50 71.80 1ajw s THR 142 CO 0.13 -0.07 -0.12 -0.62 -0.69 0.00 0.00 174.62 173.25 1ajw s ASP 143 N -0.45 3.83 -0.11 3.53 -1.08 -1.26 -1.98 116.67 119.16 1ajw s ASP 143 Ca -0.06 -0.46 0.03 0.00 -0.52 0.00 0.00 52.55 51.54 1ajw s ASP 143 Cb -0.03 -1.62 -0.01 0.00 -1.46 0.00 0.00 42.92 39.80 1ajw s ASP 143 CO 0.04 0.03 -0.20 -0.31 0.52 0.00 0.00 175.17 175.25 1ajw s TYR 144 N 1.14 2.64 -0.17 -5.34 2.02 -0.17 -4.95 117.35 112.52 1ajw s TYR 144 Ca 0.01 -0.87 -0.29 0.00 -0.37 0.00 0.00 57.07 55.54 1ajw s TYR 144 Cb -0.14 -1.74 -0.02 0.00 -0.40 0.00 0.00 41.96 39.65 1ajw s TYR 144 CO -0.04 -0.32 1.36 1.41 -1.57 0.00 0.00 175.55 176.39 1ajw s MET 145 N 0.28 4.15 -0.10 -0.62 1.75 -1.26 -1.01 119.30 122.49 1ajw s MET 145 Ca -0.15 1.70 -0.06 0.00 -1.25 0.00 0.00 55.69 55.94 1ajw s MET 145 Cb -0.17 -3.84 -0.05 0.00 2.84 0.00 0.00 34.83 33.61 1ajw s MET 145 CO 0.07 -0.83 0.16 0.28 -0.65 0.00 0.00 175.02 174.06 1ajw h VAL 146 N 5.61 0.32 0.00 10.11 2.07 0.49 -3.48 116.25 131.38 1ajw h VAL 146 Ca -0.29 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.01 1ajw h VAL 146 Cb 1.12 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1ajw h VAL 146 CO 0.98 0.11 0.00 0.61 0.02 0.00 0.00 177.57 179.29 1ajw n GLY 147 N 1.70 3.50 3.89 2.17 0.00 -1.12 -4.93 105.19 110.40 1ajw n GLY 147 Ca -0.02 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 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 6.52 0.20 1.61 1.04 -1.26 -2.99 113.70 118.82 1ajw s SER 148 Ca 0.00 0.73 -0.01 0.00 0.48 0.00 0.00 55.95 57.16 1ajw s SER 148 Cb 0.00 -2.15 -0.04 0.00 0.10 0.00 0.00 66.02 63.93 1ajw s SER 148 CO 0.00 -0.08 0.12 -0.31 0.98 0.00 0.00 173.24 173.95 1ajw s TYR 149 N -1.86 1.19 -0.01 5.02 2.02 -1.17 -4.95 117.35 117.58 1ajw s TYR 149 Ca 0.44 -1.33 0.05 0.00 -0.37 0.00 0.00 57.07 55.86 1ajw s TYR 149 Cb -0.11 -0.60 -0.03 0.00 -0.40 0.00 0.00 41.96 40.82 1ajw s TYR 149 CO 0.25 -0.58 -0.16 0.20 -1.57 0.00 0.00 175.55 173.69 1ajw s GLY 150 N -3.17 1.54 1.17 0.71 0.00 -1.26 -2.72 107.32 103.59 1ajw s GLY 150 Ca 0.37 -1.06 -0.19 0.00 0.00 0.00 0.00 44.72 43.84 1ajw s GLY 150 CO 0.11 -0.89 1.15 2.56 0.00 0.00 0.00 173.10 176.03 1ajw s PRO 151 N -1.00 -1.01 -0.73 2.90 0.04 -1.26 -4.52 135.00 129.42 1ajw s PRO 151 Ca 0.13 -0.16 -0.03 0.00 0.04 0.00 0.00 61.00 60.97 1ajw s PRO 151 Cb -0.11 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1ajw s PRO 151 CO 0.02 -3.56 0.66 0.54 0.04 0.00 0.00 177.00 174.71 1ajw n ARG 152 N -4.63 -1.51 0.00 4.56 1.74 -1.26 -4.91 116.66 110.66 1ajw n ARG 152 Ca 0.14 1.32 0.00 0.00 -0.77 0.00 0.00 57.85 58.54 1ajw n ARG 152 Cb 0.60 -4.52 0.00 0.00 -1.02 0.00 0.00 32.46 27.52 1ajw n ARG 152 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ajw n ALA 153 N -1.83 0.00 -3.00 7.54 0.00 -1.26 -5.12 120.51 116.83 1ajw n ALA 153 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1ajw n ALA 153 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1ajw n ALA 153 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ajw n GLU 154 N -0.32 0.00 -2.89 0.00 4.07 -1.26 -5.11 120.64 115.13 1ajw n GLU 154 Ca 0.00 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 56.90 1ajw n GLU 154 Cb 0.00 0.00 0.02 0.00 -0.06 0.00 0.00 31.44 31.40 1ajw n GLU 154 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1ajw s GLU 155 N 1.61 2.76 0.30 5.31 -1.05 -1.26 -3.24 118.70 123.13 1ajw s GLU 155 Ca 0.00 -0.93 0.02 0.00 -0.15 0.00 0.00 54.97 53.91 1ajw s GLU 155 Cb 0.00 -2.62 -0.01 0.00 -0.44 0.00 0.00 34.13 31.06 1ajw s GLU 155 CO 0.00 -0.43 0.07 0.66 0.95 0.00 0.00 175.26 176.51 1ajw n TYR 156 N -2.07 0.33 -3.46 4.83 4.02 -0.20 -4.95 117.16 115.66 1ajw n TYR 156 Ca 0.06 -1.78 -0.10 0.00 -0.01 0.00 0.00 57.90 56.07 1ajw n TYR 156 Cb 0.59 -0.08 -0.09 0.00 -0.02 0.00 0.00 39.34 39.74 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 -3.13 0.31 0.64 -0.72 2.02 -1.26 -3.14 118.70 113.42 1ajw s GLU 157 Ca 0.10 0.65 -0.05 0.00 0.02 0.00 0.00 54.97 55.69 1ajw s GLU 157 Cb 0.00 -0.29 0.04 0.00 0.10 0.00 0.00 34.13 33.98 1ajw s GLU 157 CO 0.07 -0.52 0.93 0.12 0.02 0.00 0.00 175.26 175.89 1ajw s PHE 158 N 2.54 3.00 -0.21 1.61 5.36 -0.36 -4.90 117.98 125.01 1ajw s PHE 158 Ca 0.08 0.41 -0.04 0.00 -0.96 0.00 0.00 56.93 56.42 1ajw s PHE 158 Cb -0.14 -2.98 0.10 0.00 -0.34 0.00 0.00 43.02 39.66 1ajw s PHE 158 CO -0.14 -1.14 0.25 -0.51 -1.46 0.00 0.00 175.22 172.22 1ajw s LEU 159 N -5.08 -0.18 0.39 6.12 1.43 -1.25 -2.70 118.68 117.40 1ajw s LEU 159 Ca 0.58 -0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 53.34 1ajw s LEU 159 Cb -0.11 0.49 -0.09 0.00 0.03 0.00 0.00 46.19 46.51 1ajw s LEU 159 CO 0.43 -0.32 0.84 0.42 0.23 0.00 0.00 176.35 177.95 1ajw s THR 160 N 2.36 4.58 0.68 5.49 -4.23 0.05 -4.90 115.64 119.68 1ajw s THR 160 Ca 0.08 1.11 -0.11 0.00 -1.18 0.00 0.00 61.69 61.58 1ajw s THR 160 Cb -0.16 -3.63 0.17 0.00 1.34 0.00 0.00 72.50 70.22 1ajw s THR 160 CO -0.13 -0.33 0.53 -0.81 -0.54 0.00 0.00 174.62 173.34 1ajw n PRO 161 N -0.72 -2.57 -1.68 3.99 -0.04 -1.26 -3.26 135.00 129.46 1ajw n PRO 161 Ca 0.05 -0.87 -0.40 0.00 -0.04 0.00 0.00 63.50 62.25 1ajw n PRO 161 Cb 0.54 -0.90 0.03 0.00 -0.04 0.00 0.00 33.50 33.13 1ajw n PRO 161 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ajw n MET 162 N -3.49 1.58 -3.40 0.54 0.00 -1.25 -4.24 117.12 106.86 1ajw n MET 162 Ca 0.08 0.57 -0.20 0.00 0.00 0.00 0.00 57.70 58.15 1ajw n MET 162 Cb 0.31 -2.34 -0.09 0.00 0.00 0.00 0.00 33.22 31.09 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 -2.47 0.50 0.02 3.17 0.41 0.28 -4.79 118.70 115.82 1ajw s GLU 163 Ca 0.67 -0.69 -0.30 0.00 -0.41 0.00 0.00 54.97 54.24 1ajw s GLU 163 Cb -0.47 -0.82 -0.08 0.00 -1.78 0.00 0.00 34.13 30.98 1ajw s GLU 163 CO 0.53 -1.14 1.76 -1.83 -0.49 0.00 0.00 175.26 174.10 1ajw s GLU 164 N 1.71 4.17 1.28 1.61 -1.05 -1.25 -3.12 118.70 122.05 1ajw s GLU 164 Ca 0.14 2.38 -0.18 0.00 -0.15 0.00 0.00 54.97 57.16 1ajw s GLU 164 Cb -0.16 -3.90 0.29 0.00 -0.44 0.00 0.00 34.13 29.92 1ajw s GLU 164 CO -0.14 -0.85 0.72 0.00 0.95 0.00 0.00 175.26 175.95 1ajw n ALA 165 N 6.71 -3.77 -2.26 -0.84 0.00 -1.11 -4.83 120.51 114.41 1ajw n ALA 165 Ca 0.18 -1.52 -0.43 0.00 0.00 0.00 0.00 53.44 51.67 1ajw n ALA 165 Cb 0.41 -1.61 -0.02 0.00 0.00 0.00 0.00 19.45 18.23 1ajw n ALA 165 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ajw s PRO 166 N -4.40 3.68 0.16 0.00 0.04 -1.24 -4.26 135.00 128.98 1ajw s PRO 166 Ca 0.62 1.27 0.01 0.00 0.04 0.00 0.00 61.00 62.94 1ajw s PRO 166 Cb -0.16 -4.02 0.01 0.00 0.04 0.00 0.00 34.50 30.38 1ajw s PRO 166 CO 0.58 -1.43 0.08 0.36 0.04 0.00 0.00 177.00 176.63 1ajw n LYS 167 N 7.83 1.39 0.00 4.56 0.00 -0.62 -4.47 118.16 126.85 1ajw n LYS 167 Ca 0.18 -1.03 0.00 0.00 -0.00 0.00 0.00 58.31 57.46 1ajw n LYS 167 Cb 0.47 0.17 0.00 0.00 -0.00 0.00 0.00 35.03 35.67 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 3.12 1.83 5.01 2.58 0.00 -1.26 -4.39 105.19 112.09 1ajw n GLY 168 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1ajw n GLY 168 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ajw n MET 169 N -0.15 0.00 0.00 1.61 2.81 -1.26 -3.79 117.12 116.33 1ajw n MET 169 Ca 0.00 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 55.96 1ajw n MET 169 Cb 0.00 0.00 0.35 0.00 -0.71 0.00 0.00 33.22 32.86 1ajw n MET 169 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95 1ajw n LEU 170 N 0.00 0.00 0.00 4.03 -0.00 -1.26 -2.70 117.00 117.07 1ajw n LEU 170 Ca 0.00 0.35 0.11 0.00 -0.00 0.00 0.00 56.01 56.47 1ajw n LEU 170 Cb 0.00 -0.35 0.57 0.00 -0.00 0.00 0.00 43.42 43.64 1ajw n LEU 170 CO 0.00 -0.18 0.85 0.00 -0.00 0.00 0.00 177.39 178.07 1ajw n ALA 171 N -1.35 2.16 -1.77 1.47 0.00 -1.25 -4.81 120.51 114.96 1ajw n ALA 171 Ca 0.06 -0.11 -0.40 0.00 0.00 0.00 0.00 53.44 52.99 1ajw n ALA 171 Cb 0.13 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.20 1ajw n ALA 171 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ajw s ARG 172 N -2.51 4.31 0.00 0.00 0.52 -1.10 -4.80 118.95 115.37 1ajw s ARG 172 Ca 0.22 2.13 0.00 0.00 -0.52 0.00 0.00 55.73 57.56 1ajw s ARG 172 Cb 0.15 -3.01 0.00 0.00 0.52 0.00 0.00 34.95 32.61 1ajw s ARG 172 CO 0.33 -0.19 0.00 0.41 0.02 0.00 0.00 175.30 175.86 1ajw n GLY 173 N 0.81 0.41 3.67 -3.53 0.00 -1.17 -4.89 105.19 100.48 1ajw n GLY 173 Ca 0.01 -1.80 -0.39 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 -2.14 6.58 -0.29 1.61 1.04 -1.26 -0.05 113.70 119.19 1ajw s SER 174 Ca 0.00 0.70 -0.04 0.00 0.48 0.00 0.00 55.95 57.09 1ajw s SER 174 Cb 0.00 -2.30 0.03 0.00 0.10 0.00 0.00 66.02 63.85 1ajw s SER 174 CO 0.00 -0.18 0.02 -0.31 0.98 0.00 0.00 173.24 173.76 1ajw s TYR 175 N 1.60 3.17 0.45 5.02 1.51 -0.74 -4.66 117.35 123.69 1ajw s TYR 175 Ca 0.25 -1.45 -0.25 0.00 -1.01 0.00 0.00 57.07 54.61 1ajw s TYR 175 Cb -0.15 -2.16 -0.08 0.00 -0.11 0.00 0.00 41.96 39.45 1ajw s TYR 175 CO 0.10 -0.70 1.37 -0.80 -1.11 0.00 0.00 175.55 174.40 1ajw s ASN 176 N 1.37 5.95 -0.44 2.29 -0.87 -0.77 0.26 114.94 122.73 1ajw s ASN 176 Ca -0.01 2.80 0.03 0.00 -1.57 0.00 0.00 52.86 54.11 1ajw s ASN 176 Cb -0.18 -2.64 0.12 0.00 -0.02 0.00 0.00 41.25 38.52 1ajw s ASN 176 CO -0.00 -1.11 0.18 -0.63 -2.57 0.00 0.00 177.10 172.96 1ajw s ILE 177 N -1.25 2.54 -0.50 0.60 -1.09 0.28 -0.04 121.20 121.76 1ajw s ILE 177 Ca 0.61 -2.83 -0.28 0.00 -2.23 0.00 0.00 60.65 55.92 1ajw s ILE 177 Cb -0.41 -2.80 0.02 0.00 -1.58 0.00 0.00 42.46 37.69 1ajw s ILE 177 CO 0.52 -0.71 1.32 -0.75 -1.23 0.00 0.00 174.94 174.09 1ajw s LYS 178 N 0.30 3.51 0.27 2.79 2.20 -0.56 -2.97 119.74 125.28 1ajw s LYS 178 Ca 0.14 0.61 0.10 0.00 -0.36 0.00 0.00 55.97 56.45 1ajw s LYS 178 Cb -0.23 -4.03 -0.04 0.00 -1.51 0.00 0.00 37.83 32.02 1ajw s LYS 178 CO -0.04 -1.66 -0.01 -1.54 -0.36 0.00 0.00 175.35 171.74 1ajw s SER 179 N 3.62 4.48 -0.42 1.43 1.04 -1.16 0.10 113.70 122.79 1ajw s SER 179 Ca 0.53 -0.69 0.04 0.00 0.48 0.00 0.00 55.95 56.32 1ajw s SER 179 Cb -0.10 -0.80 0.17 0.00 0.10 0.00 0.00 66.02 65.39 1ajw s SER 179 CO 0.29 -0.02 0.45 -0.60 0.98 0.00 0.00 173.24 174.34 1ajw s ARG 180 N -3.67 0.85 -0.32 4.02 3.52 -1.09 -3.10 118.95 119.16 1ajw s ARG 180 Ca 0.32 -1.40 -0.29 0.00 -0.13 0.00 0.00 55.73 54.23 1ajw s ARG 180 Cb -0.06 -0.82 -0.01 0.00 -1.56 0.00 0.00 34.95 32.49 1ajw s ARG 180 CO 0.20 -1.30 1.69 0.12 -0.81 0.00 0.00 175.30 175.19 1ajw s PHE 181 N 0.76 1.98 0.00 5.12 5.36 -1.00 -3.16 117.98 127.05 1ajw s PHE 181 Ca 0.26 0.61 0.00 0.00 -0.96 0.00 0.00 56.93 56.85 1ajw s PHE 181 Cb -0.04 -4.14 0.00 0.00 -0.34 0.00 0.00 43.02 38.49 1ajw s PHE 181 CO -0.10 -2.76 0.00 -2.37 -1.46 0.00 0.00 175.22 168.53 1ajw n THR 182 N 7.17 0.00 -2.30 0.12 5.66 -0.89 -3.07 114.28 120.98 1ajw n THR 182 Ca 0.21 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.21 1ajw n THR 182 Cb 0.47 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.25 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 -2.35 0.00 0.17 1.09 5.68 -1.23 0.11 116.55 120.00 1ajw n ASP 183 Ca 0.00 -0.31 -0.14 0.00 -0.50 0.00 0.00 54.79 53.84 1ajw n ASP 183 Cb 0.00 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 39.91 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 -0.43 0.00 -1.12 2.03 0.44 -3.35 116.42 113.99 1ajw h ASP 184 Ca 0.00 0.03 -0.00 0.00 -0.73 0.00 0.00 57.03 56.33 1ajw h ASP 184 Cb 0.00 0.14 -0.00 0.00 -0.83 0.00 0.00 39.33 38.63 1ajw h ASP 184 CO 0.00 -0.27 -0.00 0.47 -1.03 0.00 0.00 179.24 178.41 1ajw n ASP 185 N -5.29 -0.01 0.04 4.15 8.00 -1.26 -4.99 116.55 117.18 1ajw n ASP 185 Ca -0.09 -0.45 -0.20 0.00 0.71 0.00 0.00 54.79 54.76 1ajw n ASP 185 Cb 0.21 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.18 1ajw n ASP 185 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1ajw h ARG 186 N 0.00 0.38 0.00 -1.24 2.47 -1.98 -3.49 114.38 110.52 1ajw h ARG 186 Ca -0.01 -0.54 0.00 0.00 -1.26 0.00 0.00 59.98 58.17 1ajw h ARG 186 Cb 0.45 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.96 1ajw h ARG 186 CO -0.00 1.22 0.00 -2.37 0.56 0.00 0.00 179.97 179.37 1ajw n THR 187 N -4.11 0.00 -3.34 2.04 5.66 -1.26 -5.10 114.28 108.17 1ajw n THR 187 Ca -0.13 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.49 1ajw n THR 187 Cb 0.80 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.51 1ajw n THR 187 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1ajw s ASP 188 N 0.00 6.49 0.13 1.09 2.15 -1.26 -3.58 116.67 121.69 1ajw s ASP 188 Ca 0.00 0.58 0.23 0.00 0.43 0.00 0.00 52.55 53.79 1ajw s ASP 188 Cb 0.00 -2.25 0.05 0.00 -0.30 0.00 0.00 42.92 40.42 1ajw s ASP 188 CO 0.00 -0.10 1.04 0.00 -0.17 0.00 0.00 175.17 175.94 1ajw n HIS 189 N 4.52 0.64 -3.57 -5.34 1.44 -1.24 -4.99 115.22 106.68 1ajw n HIS 189 Ca -0.07 0.18 -0.07 0.00 -2.01 0.00 0.00 57.72 55.75 1ajw n HIS 189 Cb 0.51 -0.74 -0.03 0.00 0.12 0.00 0.00 29.99 29.85 1ajw n HIS 189 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 1ajw s LEU 190 N -4.72 -0.26 -0.27 2.39 2.96 -1.17 -4.87 118.68 112.73 1ajw s LEU 190 Ca 0.01 0.15 -0.25 0.00 -0.22 0.00 0.00 54.13 53.82 1ajw s LEU 190 Cb 0.12 1.68 0.10 0.00 0.50 0.00 0.00 46.19 48.59 1ajw s LEU 190 CO 0.79 -0.34 0.91 -0.94 -1.32 0.00 0.00 176.35 175.45 1ajw s SER 191 N -1.71 -0.56 0.00 3.68 1.04 -1.26 -2.37 113.70 112.52 1ajw s SER 191 Ca 0.04 1.08 0.00 0.00 0.48 0.00 0.00 55.95 57.55 1ajw s SER 191 Cb -0.01 1.09 0.00 0.00 0.10 0.00 0.00 66.02 67.20 1ajw s SER 191 CO -0.04 -0.20 0.00 -2.67 0.98 0.00 0.00 173.24 171.32 1ajw n TRP 192 N 2.35 0.00 -3.60 5.02 2.14 -1.18 -5.02 117.44 117.15 1ajw n TRP 192 Ca -0.13 0.00 -0.02 0.00 2.07 0.00 0.00 57.50 59.42 1ajw n TRP 192 Cb 0.56 0.00 -0.06 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 1.65 0.43 0.04 -2.67 2.12 -1.26 -2.99 118.70 116.02 1ajw s GLU 193 Ca 0.00 0.83 0.05 0.00 0.36 0.00 0.00 54.97 56.20 1ajw s GLU 193 Cb 0.00 0.22 -0.02 0.00 0.26 0.00 0.00 34.13 34.59 1ajw s GLU 193 CO 0.00 -0.10 -0.13 1.67 -0.54 0.00 0.00 175.26 176.15 1ajw s TRP 194 N 1.72 1.17 0.37 5.30 1.48 -1.16 -4.62 118.94 123.20 1ajw s TRP 194 Ca -0.08 -0.36 -0.14 0.00 -1.06 0.00 0.00 56.10 54.47 1ajw s TRP 194 Cb -0.05 -0.69 -0.08 0.00 -1.16 0.00 0.00 33.47 31.49 1ajw s TRP 194 CO -0.17 0.03 0.78 -0.80 -4.06 0.00 0.00 176.95 172.73 1ajw s ASN 195 N -1.15 6.68 -0.46 -2.66 -0.87 -1.26 0.10 114.94 115.32 1ajw s ASN 195 Ca 0.01 1.26 0.03 0.00 -1.57 0.00 0.00 52.86 52.59 1ajw s ASN 195 Cb -0.08 -2.37 0.13 0.00 -0.02 0.00 0.00 41.25 38.91 1ajw s ASN 195 CO 0.01 -0.31 0.21 -0.22 -2.57 0.00 0.00 177.10 174.22 1ajw s LEU 196 N -3.40 3.74 0.12 0.60 2.96 0.14 -1.34 118.68 121.51 1ajw s LEU 196 Ca 0.54 -2.68 -0.31 0.00 -0.22 0.00 0.00 54.13 51.45 1ajw s LEU 196 Cb -0.10 -1.40 -0.08 0.00 0.50 0.00 0.00 46.19 45.10 1ajw s LEU 196 CO 0.23 -0.28 1.45 -0.89 -1.32 0.00 0.00 176.35 175.55 1ajw s THR 197 N 0.20 3.14 0.10 3.68 2.01 -0.65 -1.80 115.64 122.32 1ajw s THR 197 Ca 0.16 0.80 0.05 0.00 0.31 0.00 0.00 61.69 63.01 1ajw s THR 197 Cb -0.24 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1ajw s THR 197 CO -0.03 0.06 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.31 1ajw s ILE 198 N 1.26 3.87 0.00 1.82 -1.09 0.92 0.48 121.20 128.46 1ajw s ILE 198 Ca 0.66 -1.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.00 1ajw s ILE 198 Cb -0.38 -2.85 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 1ajw s ILE 198 CO 0.30 0.09 0.00 1.17 -1.23 0.00 0.00 174.94 175.28 1ajw n LYS 199 N 0.52 0.00 0.00 2.79 4.81 0.30 -3.05 118.16 123.54 1ajw n LYS 199 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 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 1.86 -2.69 1.64 2.85 -1.26 0.11 118.16 120.66 1ajw n LYS 200 Ca 0.00 -0.16 -0.05 0.00 -1.05 0.00 0.00 58.31 57.04 1ajw n LYS 200 Cb 0.00 -0.58 0.12 0.00 -0.65 0.00 0.00 35.03 33.93 1ajw n LYS 200 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1ajw n GLU 201 N -0.31 1.26 0.28 -1.58 0.28 -1.26 -4.83 120.64 114.47 1ajw n GLU 201 Ca 0.00 -1.62 0.18 0.00 -0.16 0.00 0.00 57.16 55.56 1ajw n GLU 201 Cb 0.05 0.11 0.92 0.00 1.43 0.00 0.00 31.44 33.95 1ajw n GLU 201 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 177.13 177.08 1ajw h TRP 202 N 1.67 0.00 -1.60 -1.84 5.08 -1.90 -2.34 115.95 115.03 1ajw h TRP 202 Ca -0.34 0.00 -0.57 0.00 1.08 0.00 0.00 58.89 59.06 1ajw h TRP 202 Cb 1.30 0.00 -0.42 0.00 -3.00 0.00 0.00 29.16 27.04 1ajw h TRP 202 CO 0.06 0.00 -0.76 1.17 -1.28 0.00 0.00 178.44 177.64 1ajw n LYS 203 N -3.28 3.21 0.00 0.12 0.00 -1.26 -4.85 118.16 112.10 1ajw n LYS 203 Ca -0.00 -4.46 0.15 0.00 0.00 0.00 0.00 58.31 54.00 1ajw n LYS 203 Cb 0.30 -2.17 0.82 0.00 0.00 0.00 0.00 35.03 33.98 1ajw n LYS 203 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93