#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 -8.87 -3.98 0.00 0.31 -1.26 -5.03 118.33 99.50 1ajw n VAL 61 Ca 0.00 1.46 -0.25 0.00 -0.01 0.00 0.00 64.34 65.54 1ajw n VAL 61 Cb 0.00 -5.65 -0.04 0.00 -0.91 0.00 0.00 33.84 27.24 1ajw n VAL 61 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ajw s SER 62 N -1.36 4.59 -0.39 4.52 0.15 -1.26 -5.06 113.70 114.89 1ajw s SER 62 Ca -0.01 -1.12 0.08 0.00 0.70 0.00 0.00 55.95 55.60 1ajw s SER 62 Cb 0.00 -0.12 0.44 0.00 -1.71 0.00 0.00 66.02 64.63 1ajw s SER 62 CO 0.53 -0.78 1.10 0.00 1.20 0.00 0.00 173.24 175.30 1ajw n ALA 63 N -1.48 4.72 -4.08 5.45 0.00 -1.26 -4.97 120.51 118.89 1ajw n ALA 63 Ca -0.02 -3.99 -0.33 0.00 0.00 0.00 0.00 53.44 49.10 1ajw n ALA 63 Cb 0.64 -0.57 -0.05 0.00 0.00 0.00 0.00 19.45 19.47 1ajw n ALA 63 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ajw n ASP 64 N -0.47 -0.81 -2.85 0.00 5.75 -1.26 -4.93 116.55 111.98 1ajw n ASP 64 Ca 0.34 -1.14 0.00 0.00 -0.01 0.00 0.00 54.79 53.99 1ajw n ASP 64 Cb 0.75 -1.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.44 1ajw n ASP 64 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1ajw n PRO 65 N -4.32 0.05 -0.36 0.11 -0.04 -1.26 -5.01 135.00 124.16 1ajw n PRO 65 Ca -0.22 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.94 1ajw n PRO 65 Cb 0.57 0.00 0.29 0.00 -0.04 0.00 0.00 33.50 34.31 1ajw n PRO 65 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1ajw s ASN 66 N -1.38 -0.82 0.00 3.54 3.84 -1.26 -4.99 114.94 113.87 1ajw s ASN 66 Ca 0.00 1.00 -0.09 0.00 0.21 0.00 0.00 52.86 53.98 1ajw s ASN 66 Cb 0.00 -1.45 -0.05 0.00 -0.55 0.00 0.00 41.25 39.20 1ajw s ASN 66 CO 0.00 -5.23 0.30 -0.69 -2.79 0.00 0.00 177.10 168.69 1ajw s VAL 67 N -2.27 5.24 0.70 -5.21 1.01 -1.26 -5.08 120.40 113.53 1ajw s VAL 67 Ca 0.68 0.34 -0.11 0.00 0.00 0.00 0.00 61.98 62.90 1ajw s VAL 67 Cb -0.16 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.65 1ajw s VAL 67 CO 0.59 0.42 1.07 -2.16 0.00 0.00 0.00 175.10 175.02 1ajw s PRO 68 N -1.58 2.85 0.28 2.72 0.04 -1.26 -4.92 135.00 133.13 1ajw s PRO 68 Ca 0.26 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1ajw s PRO 68 Cb -0.14 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1ajw s PRO 68 CO 0.14 -1.17 0.00 -1.71 0.04 0.00 0.00 177.00 174.30 1ajw n ASN 69 N -3.10 -2.53 -4.16 6.66 5.15 -1.26 -4.77 115.26 111.25 1ajw n ASN 69 Ca 0.08 0.73 -0.31 0.00 -0.60 0.00 0.00 54.58 54.48 1ajw n ASN 69 Cb 0.53 2.54 -0.17 0.00 -0.53 0.00 0.00 39.78 42.15 1ajw n ASN 69 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1ajw s VAL 70 N -1.94 1.85 -0.12 3.44 1.01 -1.26 -3.17 120.40 120.21 1ajw s VAL 70 Ca 0.00 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 1ajw s VAL 70 Cb 0.00 -1.62 0.03 0.00 0.00 0.00 0.00 36.38 34.79 1ajw s VAL 70 CO 0.00 0.51 0.32 -0.69 0.00 0.00 0.00 175.10 175.24 1ajw s VAL 71 N 0.56 -0.00 -0.45 2.92 1.01 -1.23 -4.76 120.40 118.44 1ajw s VAL 71 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 61.98 61.57 1ajw s VAL 71 Cb -0.17 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 1ajw s VAL 71 CO 0.05 0.00 2.13 -0.69 0.00 0.00 0.00 175.10 176.59 1ajw s VAL 72 N 0.21 3.18 -0.02 2.92 1.01 -1.26 -2.51 120.40 123.92 1ajw s VAL 72 Ca -0.00 0.14 -0.26 0.00 0.00 0.00 0.00 61.98 61.86 1ajw s VAL 72 Cb -0.03 -3.37 -0.20 0.00 0.00 0.00 0.00 36.38 32.78 1ajw s VAL 72 CO 0.00 -0.32 1.25 0.71 0.00 0.00 0.00 175.10 176.74 1ajw h THR 73 N 7.23 1.39 -3.12 3.92 1.35 -0.34 -3.37 112.91 119.98 1ajw h THR 73 Ca -0.29 -1.16 -0.00 0.00 -0.55 0.00 0.00 66.41 64.40 1ajw h THR 73 Cb 1.22 2.18 -0.03 0.00 -1.73 0.00 0.00 68.15 69.79 1ajw h THR 73 CO 1.12 0.30 0.20 -0.13 -0.25 0.00 0.00 175.52 176.76 1ajw s ARG 74 N -4.21 1.99 -0.04 4.72 0.52 -1.02 -3.01 118.95 117.90 1ajw s ARG 74 Ca -0.16 -1.27 -0.02 0.00 -0.52 0.00 0.00 55.73 53.77 1ajw s ARG 74 Cb 0.02 0.60 0.03 0.00 0.52 0.00 0.00 34.95 36.12 1ajw s ARG 74 CO 0.67 -0.91 0.07 -1.17 0.02 0.00 0.00 175.30 173.98 1ajw s LEU 75 N -3.02 0.44 0.30 2.53 0.20 -1.18 -1.71 118.68 116.24 1ajw s LEU 75 Ca 0.15 0.11 0.08 0.00 0.69 0.00 0.00 54.13 55.17 1ajw s LEU 75 Cb -0.05 -0.03 -0.04 0.00 -0.43 0.00 0.00 46.19 45.64 1ajw s LEU 75 CO 0.10 -0.21 0.15 -0.89 -0.29 0.00 0.00 176.35 175.21 1ajw s THR 76 N 1.78 3.51 -0.13 3.68 2.01 0.35 -0.42 115.64 126.42 1ajw s THR 76 Ca -0.01 -1.62 -0.04 0.00 0.31 0.00 0.00 61.69 60.33 1ajw s THR 76 Cb -0.12 -3.07 0.07 0.00 0.01 0.00 0.00 72.50 69.38 1ajw s THR 76 CO -0.04 -0.26 0.23 -0.76 -0.69 0.00 0.00 174.62 173.11 1ajw s LEU 77 N -3.83 -0.23 0.15 4.42 1.43 -1.07 -2.21 118.68 117.34 1ajw s LEU 77 Ca 0.36 0.40 0.09 0.00 -1.03 0.00 0.00 54.13 53.95 1ajw s LEU 77 Cb -0.05 0.56 -0.04 0.00 0.03 0.00 0.00 46.19 46.69 1ajw s LEU 77 CO 0.23 -0.26 -0.21 -0.69 0.23 0.00 0.00 176.35 175.66 1ajw s VAL 78 N 2.38 1.96 0.00 -1.59 1.01 -1.17 -3.03 120.40 119.95 1ajw s VAL 78 Ca 0.03 -1.83 0.10 0.00 0.00 0.00 0.00 61.98 60.28 1ajw s VAL 78 Cb -0.13 -1.85 0.16 0.00 0.00 0.00 0.00 36.38 34.57 1ajw s VAL 78 CO -0.08 -0.16 0.99 0.00 0.00 0.00 0.00 175.10 175.84 1ajw n SER 80 N 0.19 0.00 -2.18 0.00 3.41 -1.26 -4.00 113.62 109.77 1ajw n SER 80 Ca -0.04 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.34 1ajw n SER 80 Cb 0.84 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.95 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 0.00 3.14 -2.66 6.66 -2.24 -1.26 -4.97 114.28 112.96 1ajw n THR 81 Ca 0.00 -1.92 -0.24 0.00 -2.27 0.00 0.00 64.05 59.62 1ajw n THR 81 Cb 0.00 -0.56 0.03 0.00 -2.10 0.00 0.00 70.33 67.69 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 -3.18 3.57 0.19 6.98 0.00 -1.26 -4.61 121.76 123.46 1ajw s ALA 82 Ca 0.55 -0.97 0.18 0.00 0.00 0.00 0.00 51.96 51.72 1ajw s ALA 82 Cb 0.46 -2.33 0.69 0.00 0.00 0.00 0.00 23.12 21.94 1ajw s ALA 82 CO 0.09 -0.67 1.74 -1.00 0.00 0.00 0.00 175.76 175.93 1ajw h PRO 83 N 0.06 0.00 0.00 0.00 0.13 -1.93 -3.48 132.00 126.78 1ajw h PRO 83 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ajw h PRO 83 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1ajw h PRO 83 CO 0.58 0.38 0.00 0.41 -0.23 0.00 0.00 178.00 179.13 1ajw n GLY 84 N 0.17 1.78 3.55 1.56 0.00 -1.26 -5.07 105.19 105.92 1ajw n GLY 84 Ca -0.00 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 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 2.76 -0.16 1.61 0.04 -1.26 -4.80 135.00 131.19 1ajw s PRO 85 Ca 0.00 0.19 -0.29 0.00 0.04 0.00 0.00 61.00 60.94 1ajw s PRO 85 Cb 0.00 -4.55 -0.05 0.00 0.04 0.00 0.00 34.50 29.95 1ajw s PRO 85 CO 0.00 -2.74 1.88 -0.51 0.04 0.00 0.00 177.00 175.67 1ajw s LEU 86 N 8.52 3.88 -0.26 -3.56 1.43 -1.17 -4.62 118.68 122.90 1ajw s LEU 86 Ca 0.61 1.94 -0.10 0.00 -1.03 0.00 0.00 54.13 55.55 1ajw s LEU 86 Cb -0.10 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 1ajw s LEU 86 CO 0.14 -1.43 0.16 -1.61 0.23 0.00 0.00 176.35 173.84 1ajw s GLU 87 N 5.14 3.96 0.40 1.70 2.02 -1.25 -2.59 118.70 128.07 1ajw s GLU 87 Ca 0.84 -0.32 0.05 0.00 0.02 0.00 0.00 54.97 55.56 1ajw s GLU 87 Cb -0.31 -3.55 -0.00 0.00 0.10 0.00 0.00 34.13 30.37 1ajw s GLU 87 CO 0.34 -0.06 0.57 -0.51 0.02 0.00 0.00 175.26 175.61 1ajw s LEU 88 N 1.40 3.78 -0.18 1.80 1.43 0.45 -4.90 118.68 122.46 1ajw s LEU 88 Ca 0.07 -0.08 -0.04 0.00 -1.03 0.00 0.00 54.13 53.05 1ajw s LEU 88 Cb -0.15 -2.86 -0.02 0.00 0.03 0.00 0.00 46.19 43.20 1ajw s LEU 88 CO 0.07 -0.62 -0.04 -0.62 0.23 0.00 0.00 176.35 175.38 1ajw s ASP 89 N -4.23 4.63 -0.38 2.29 2.15 -1.26 -3.12 116.67 116.74 1ajw s ASP 89 Ca 0.48 -0.22 0.11 0.00 0.43 0.00 0.00 52.55 53.35 1ajw s ASP 89 Cb -0.10 -1.77 0.44 0.00 -0.30 0.00 0.00 42.92 41.19 1ajw s ASP 89 CO 0.34 0.10 1.05 0.18 -0.17 0.00 0.00 175.17 176.67 1ajw n LEU 90 N 3.97 3.39 -2.69 -1.34 4.77 -1.16 -4.56 117.00 119.38 1ajw n LEU 90 Ca -0.17 -4.57 -0.16 0.00 -0.03 0.00 0.00 56.01 51.08 1ajw n LEU 90 Cb 0.52 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.53 1ajw n LEU 90 CO 0.31 1.94 -0.04 0.35 -1.33 0.00 0.00 177.39 178.63 1ajw n THR 91 N -0.33 1.33 0.00 -5.08 -2.24 -1.26 -4.40 114.28 102.29 1ajw n THR 91 Ca 0.27 -3.86 0.00 0.00 -2.27 0.00 0.00 64.05 58.19 1ajw n THR 91 Cb 0.74 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 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 -0.14 2.44 3.20 3.38 0.00 -1.26 -4.94 105.19 107.86 1ajw n GLY 92 Ca 0.20 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 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 1.35 2.58 0.02 1.61 8.00 -1.26 -4.51 116.55 124.34 1ajw n ASP 93 Ca 0.00 -2.68 -0.02 0.00 0.71 0.00 0.00 54.79 52.80 1ajw n ASP 93 Cb 0.00 -1.21 -0.10 0.00 -0.02 0.00 0.00 41.12 39.79 1ajw n ASP 93 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ajw n LEU 94 N 8.79 0.87 0.27 0.64 4.77 -1.26 -3.98 117.00 127.11 1ajw n LEU 94 Ca 0.49 0.39 0.18 0.00 -0.03 0.00 0.00 56.01 57.04 1ajw n LEU 94 Cb 0.42 0.10 0.88 0.00 -2.33 0.00 0.00 43.42 42.49 1ajw n LEU 94 CO 0.98 0.21 1.15 1.05 -1.33 0.00 0.00 177.39 179.44 1ajw h GLU 95 N 0.00 0.00 -0.01 3.23 -0.00 -1.94 -1.24 114.58 114.62 1ajw h GLU 95 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.17 1ajw h GLU 95 Cb 1.69 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.44 1ajw h GLU 95 CO 0.05 0.00 0.09 0.66 -0.00 0.00 0.00 179.01 179.82 1ajw h SER 96 N 0.00 0.00 0.40 3.06 4.64 -1.95 -3.07 113.55 116.63 1ajw h SER 96 Ca 0.05 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1ajw h SER 96 Cb 0.57 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1ajw h SER 96 CO -0.00 0.00 -0.24 -0.26 -0.87 0.00 0.00 176.83 175.46 1ajw h PHE 97 N 0.00 -0.62 -0.03 4.77 0.04 -1.50 -2.46 116.94 117.14 1ajw h PHE 97 Ca 0.01 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.78 1ajw h PHE 97 Cb 0.19 0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.56 1ajw h PHE 97 CO 0.00 -0.36 0.19 1.57 -0.60 0.00 0.00 178.31 179.12 1ajw h LYS 98 N -0.59 0.00 -0.36 1.51 2.10 -1.77 0.21 116.57 117.66 1ajw h LYS 98 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1ajw h LYS 98 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1ajw h LYS 98 CO 0.06 0.00 0.00 1.17 -2.00 0.00 0.00 179.45 178.68 1ajw n LYS 99 N -3.08 1.73 -3.62 0.07 4.81 -0.93 -4.86 118.16 112.27 1ajw n LYS 99 Ca -0.02 -0.96 -0.08 0.00 -0.87 0.00 0.00 58.31 56.38 1ajw n LYS 99 Cb 0.26 -1.30 -0.06 0.00 0.02 0.00 0.00 35.03 33.95 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 -1.65 0.42 -0.02 1.64 1.03 0.06 -5.06 119.66 116.08 1ajw s GLN 100 Ca 0.18 0.36 0.02 0.00 0.04 0.00 0.00 55.36 55.95 1ajw s GLN 100 Cb 0.10 0.20 0.00 0.00 0.03 0.00 0.00 33.01 33.34 1ajw s GLN 100 CO 0.11 -0.08 -0.08 -1.54 -2.54 0.00 0.00 175.29 171.16 1ajw s SER 101 N -0.22 1.06 -0.25 12.60 1.04 -1.26 -4.52 113.70 122.15 1ajw s SER 101 Ca 0.03 -0.16 -0.29 0.00 0.48 0.00 0.00 55.95 56.01 1ajw s SER 101 Cb -0.04 -0.24 0.01 0.00 0.10 0.00 0.00 66.02 65.86 1ajw s SER 101 CO -0.06 0.07 1.09 -0.36 0.98 0.00 0.00 173.24 174.96 1ajw s PHE 102 N 0.10 3.19 0.75 5.02 0.08 -1.25 -4.68 117.98 121.18 1ajw s PHE 102 Ca -0.01 1.30 -0.14 0.00 0.12 0.00 0.00 56.93 58.20 1ajw s PHE 102 Cb -0.07 -3.47 0.05 0.00 -0.57 0.00 0.00 43.02 38.97 1ajw s PHE 102 CO 0.00 -0.78 1.17 0.08 -0.10 0.00 0.00 175.22 175.59 1ajw s VAL 103 N 3.44 2.51 0.05 -0.44 1.01 -1.26 -2.13 120.40 123.59 1ajw s VAL 103 Ca 0.46 0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.66 1ajw s VAL 103 Cb -0.15 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1ajw s VAL 103 CO 0.11 -0.15 0.09 0.18 0.00 0.00 0.00 175.10 175.32 1ajw n LEU 104 N -2.94 0.00 -4.29 3.92 4.77 0.32 -4.85 117.00 113.93 1ajw n LEU 104 Ca 0.12 -0.39 -0.16 0.00 -0.03 0.00 0.00 56.01 55.56 1ajw n LEU 104 Cb 0.51 0.43 -0.10 0.00 -2.33 0.00 0.00 43.42 41.93 1ajw n LEU 104 CO 0.48 -0.10 -0.39 -0.75 -1.33 0.00 0.00 177.39 175.29 1ajw s LYS 105 N -2.07 1.17 -0.67 3.23 2.20 -1.26 0.11 119.74 122.45 1ajw s LYS 105 Ca 0.03 -1.53 -0.39 0.00 -0.36 0.00 0.00 55.97 53.73 1ajw s LYS 105 Cb -0.00 -0.70 -0.20 0.00 -1.51 0.00 0.00 37.83 35.42 1ajw s LYS 105 CO 0.02 0.05 2.34 0.39 -0.36 0.00 0.00 175.35 177.80 1ajw n GLU 106 N -0.28 0.07 -3.66 4.03 1.02 0.54 -3.08 120.64 119.28 1ajw n GLU 106 Ca -0.09 0.01 -0.23 0.00 -0.02 0.00 0.00 57.16 56.84 1ajw n GLU 106 Cb 0.61 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 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 7.09 -1.12 3.85 0.62 0.00 -1.14 -4.73 105.19 109.76 1ajw n GLY 107 Ca 0.58 0.51 -0.32 0.00 0.00 0.00 0.00 46.02 46.79 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 -2.91 4.72 -1.00 1.61 -7.23 -1.18 -4.24 120.40 110.18 1ajw s VAL 108 Ca 0.03 0.87 -0.23 0.00 -1.81 0.00 0.00 61.98 60.84 1ajw s VAL 108 Cb -0.01 -3.62 0.05 0.00 0.56 0.00 0.00 36.38 33.36 1ajw s VAL 108 CO 0.78 -0.16 1.44 -1.61 -0.31 0.00 0.00 175.10 175.25 1ajw s GLU 109 N -2.93 3.56 -0.05 4.82 2.02 -1.26 -3.17 118.70 121.69 1ajw s GLU 109 Ca 0.53 -1.06 0.01 0.00 0.02 0.00 0.00 54.97 54.46 1ajw s GLU 109 Cb -0.10 -5.29 -0.03 0.00 0.10 0.00 0.00 34.13 28.80 1ajw s GLU 109 CO 0.18 -2.21 -0.04 1.52 0.02 0.00 0.00 175.26 174.73 1ajw s TYR 110 N 5.05 3.00 0.43 1.61 -0.85 -1.18 -4.66 117.35 120.74 1ajw s TYR 110 Ca 0.46 0.06 0.00 0.00 -0.52 0.00 0.00 57.07 57.07 1ajw s TYR 110 Cb -0.01 -1.70 -0.01 0.00 0.38 0.00 0.00 41.96 40.62 1ajw s TYR 110 CO -0.08 0.39 0.64 1.03 -1.52 0.00 0.00 175.55 176.01 1ajw s ARG 111 N -1.07 3.16 -0.07 -3.49 0.52 0.93 0.10 118.95 119.04 1ajw s ARG 111 Ca 0.15 -0.45 0.04 0.00 -0.52 0.00 0.00 55.73 54.95 1ajw s ARG 111 Cb -0.11 -2.58 -0.01 0.00 0.52 0.00 0.00 34.95 32.76 1ajw s ARG 111 CO 0.04 -0.18 -0.21 0.42 0.02 0.00 0.00 175.30 175.40 1ajw s ILE 112 N -2.50 2.44 -0.22 1.52 -1.09 -1.22 -3.06 121.20 117.06 1ajw s ILE 112 Ca 0.47 -0.92 0.02 0.00 -2.23 0.00 0.00 60.65 57.98 1ajw s ILE 112 Cb -0.10 -1.93 0.04 0.00 -1.58 0.00 0.00 42.46 38.89 1ajw s ILE 112 CO 0.38 0.57 -0.15 -0.54 -1.23 0.00 0.00 174.94 173.96 1ajw s LYS 113 N -0.17 2.64 0.08 2.79 1.02 -0.94 -1.69 119.74 123.47 1ajw s LYS 113 Ca -0.02 -1.08 0.01 0.00 0.02 0.00 0.00 55.97 54.90 1ajw s LYS 113 Cb -0.14 -2.75 -0.04 0.00 -0.52 0.00 0.00 37.83 34.39 1ajw s LYS 113 CO 0.04 -0.39 0.20 0.42 -0.92 0.00 0.00 175.35 174.70 1ajw s ILE 114 N 1.21 5.27 -0.09 2.17 -1.09 -1.18 -0.49 121.20 126.99 1ajw s ILE 114 Ca -0.02 -0.48 -0.00 0.00 -2.23 0.00 0.00 60.65 57.92 1ajw s ILE 114 Cb -0.16 -3.59 0.02 0.00 -1.58 0.00 0.00 42.46 37.15 1ajw s ILE 114 CO -0.09 0.10 -0.06 -0.44 -1.23 0.00 0.00 174.94 173.23 1ajw s SER 115 N -2.60 1.89 -0.02 3.58 0.01 -0.70 -1.07 113.70 114.80 1ajw s SER 115 Ca 0.34 -0.24 0.01 0.00 1.31 0.00 0.00 55.95 57.37 1ajw s SER 115 Cb -0.13 -0.71 0.01 0.00 0.21 0.00 0.00 66.02 65.40 1ajw s SER 115 CO 0.27 -0.11 -0.01 0.72 0.41 0.00 0.00 173.24 174.52 1ajw s PHE 116 N 1.57 0.28 0.17 2.43 -0.71 -1.20 0.33 117.98 120.84 1ajw s PHE 116 Ca 0.01 -0.02 -0.25 0.00 -1.04 0.00 0.00 56.93 55.63 1ajw s PHE 116 Cb -0.13 -0.28 -0.08 0.00 -1.21 0.00 0.00 43.02 41.32 1ajw s PHE 116 CO -0.05 -0.06 0.78 1.03 -1.34 0.00 0.00 175.22 175.57 1ajw s ARG 117 N 0.45 4.57 -0.35 1.99 0.52 -1.05 -1.89 118.95 123.19 1ajw s ARG 117 Ca -0.04 1.16 -0.00 0.00 -0.52 0.00 0.00 55.73 56.32 1ajw s ARG 117 Cb -0.07 -3.26 0.11 0.00 0.52 0.00 0.00 34.95 32.26 1ajw s ARG 117 CO -0.01 0.57 0.15 0.08 0.02 0.00 0.00 175.30 176.11 1ajw s VAL 118 N -1.16 0.79 -0.37 3.52 1.01 -1.20 -3.55 120.40 119.45 1ajw s VAL 118 Ca 0.36 -1.67 0.11 0.00 0.00 0.00 0.00 61.98 60.79 1ajw s VAL 118 Cb -0.23 -1.59 0.44 0.00 0.00 0.00 0.00 36.38 35.01 1ajw s VAL 118 CO 0.26 -0.79 1.05 -0.46 0.00 0.00 0.00 175.10 175.17 1ajw n ASN 119 N 4.44 3.23 0.03 3.32 6.94 -1.19 -4.00 115.26 128.03 1ajw n ASN 119 Ca 0.02 -3.22 0.00 0.00 -0.02 0.00 0.00 54.58 51.37 1ajw n ASN 119 Cb 0.39 -0.48 0.00 0.00 -2.36 0.00 0.00 39.78 37.33 1ajw n ASN 119 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 1ajw n ARG 120 N -0.34 0.00 -4.32 -3.83 3.00 -1.26 -4.90 116.66 105.02 1ajw n ARG 120 Ca 0.25 0.00 -0.18 0.00 -0.00 0.00 0.00 57.85 57.92 1ajw n ARG 120 Cb 0.75 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 33.12 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 -1.13 1.58 -0.19 -0.14 2.12 -1.26 -4.87 118.70 114.80 1ajw s GLU 121 Ca 0.00 -1.90 -0.29 0.00 0.36 0.00 0.00 54.97 53.14 1ajw s GLU 121 Cb 0.00 -0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.39 1ajw s GLU 121 CO 0.00 -0.47 1.01 0.42 -0.54 0.00 0.00 175.26 175.68 1ajw s ILE 122 N -3.64 4.72 -1.03 -3.70 1.09 -1.26 -4.05 121.20 113.33 1ajw s ILE 122 Ca 0.37 2.00 -0.05 0.00 -1.10 0.00 0.00 60.65 61.86 1ajw s ILE 122 Cb 0.05 -4.30 0.27 0.00 -1.06 0.00 0.00 42.46 37.42 1ajw s ILE 122 CO 0.18 -0.12 1.09 0.52 -0.10 0.00 0.00 174.94 176.51 1ajw n VAL 123 N 5.08 4.21 -2.63 2.92 0.31 -0.65 -4.97 118.33 122.61 1ajw n VAL 123 Ca 0.11 -5.42 -0.42 0.00 -0.01 0.00 0.00 64.34 58.59 1ajw n VAL 123 Cb 0.47 -2.41 -0.01 0.00 -0.91 0.00 0.00 33.84 30.98 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 0.12 6.70 0.00 4.52 1.04 -1.26 -2.93 113.70 121.89 1ajw s SER 124 Ca 0.31 -2.04 0.00 0.00 0.48 0.00 0.00 55.95 54.69 1ajw s SER 124 Cb -0.05 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1ajw s SER 124 CO -0.05 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.51 1ajw n GLY 125 N 5.93 0.00 3.79 7.32 0.00 -1.24 -4.68 105.19 116.30 1ajw n GLY 125 Ca 0.39 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.06 1ajw n GLY 125 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ajw s MET 126 N 0.00 3.83 -0.01 1.61 -1.94 -1.03 -1.98 119.30 119.78 1ajw s MET 126 Ca 0.00 1.48 0.01 0.00 -1.71 0.00 0.00 55.69 55.47 1ajw s MET 126 Cb 0.00 -2.23 0.01 0.00 2.01 0.00 0.00 34.83 34.62 1ajw s MET 126 CO 0.00 -0.42 -0.01 0.21 -0.01 0.00 0.00 175.02 174.78 1ajw s LYS 127 N -2.99 0.20 -0.28 2.03 2.36 0.29 -2.48 119.74 118.87 1ajw s LYS 127 Ca 0.65 -0.01 0.03 0.00 -2.55 0.00 0.00 55.97 54.08 1ajw s LYS 127 Cb -0.20 -0.28 0.08 0.00 -1.05 0.00 0.00 37.83 36.38 1ajw s LYS 127 CO 0.24 -0.02 -0.03 -0.47 1.55 0.00 0.00 175.35 176.62 1ajw s TYR 128 N 0.36 3.11 0.36 4.03 5.04 0.27 -0.67 117.35 129.85 1ajw s TYR 128 Ca -0.03 -2.36 0.07 0.00 -2.44 0.00 0.00 57.07 52.31 1ajw s TYR 128 Cb -0.06 -2.14 -0.01 0.00 0.35 0.00 0.00 41.96 40.10 1ajw s TYR 128 CO -0.01 -0.88 0.45 0.42 -1.34 0.00 0.00 175.55 174.19 1ajw s ILE 129 N 1.14 3.54 -0.21 3.14 1.01 -1.19 0.62 121.20 129.26 1ajw s ILE 129 Ca -0.01 -1.11 -0.18 0.00 0.00 0.00 0.00 60.65 59.35 1ajw s ILE 129 Cb -0.19 -3.22 0.05 0.00 0.01 0.00 0.00 42.46 39.12 1ajw s ILE 129 CO -0.08 -0.10 0.54 -1.58 0.00 0.00 0.00 174.94 173.72 1ajw s GLN 130 N -4.17 0.62 -0.06 2.79 0.74 0.03 -2.56 119.66 117.05 1ajw s GLN 130 Ca 0.47 0.78 0.00 0.00 0.05 0.00 0.00 55.36 56.67 1ajw s GLN 130 Cb -0.08 0.28 -0.03 0.00 1.10 0.00 0.00 33.01 34.27 1ajw s GLN 130 CO 0.30 -0.09 -0.04 -1.01 -0.55 0.00 0.00 175.29 173.90 1ajw s HIS 131 N 0.45 3.00 -1.04 1.67 3.76 0.34 0.12 115.29 123.59 1ajw s HIS 131 Ca -0.01 0.07 -0.06 0.00 -0.15 0.00 0.00 55.06 54.90 1ajw s HIS 131 Cb -0.04 -1.72 0.27 0.00 1.11 0.00 0.00 32.58 32.20 1ajw s HIS 131 CO -0.01 0.38 1.05 2.41 -0.85 0.00 0.00 174.74 177.72 1ajw n THR 132 N 2.06 4.17 -3.15 1.30 -1.04 0.12 -1.81 114.28 115.93 1ajw n THR 132 Ca -0.18 -5.36 -0.40 0.00 -2.04 0.00 0.00 64.05 56.07 1ajw n THR 132 Cb 0.53 -2.47 -0.07 0.00 -1.82 0.00 0.00 70.33 66.50 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 -1.50 3.28 0.00 -1.42 2.02 0.23 -3.00 117.35 116.96 1ajw s TYR 133 Ca 0.30 0.76 -0.01 0.00 -0.37 0.00 0.00 57.07 57.76 1ajw s TYR 133 Cb -0.07 -2.80 -0.00 0.00 -0.40 0.00 0.00 41.96 38.69 1ajw s TYR 133 CO -0.07 -0.30 0.01 -0.98 -1.57 0.00 0.00 175.55 172.63 1ajw s ARG 134 N 2.42 0.09 -1.34 -0.62 1.04 -1.18 -0.60 118.95 118.75 1ajw s ARG 134 Ca 0.25 -0.13 -0.05 0.00 -1.04 0.00 0.00 55.73 54.76 1ajw s ARG 134 Cb -0.16 0.04 0.03 0.00 -2.04 0.00 0.00 34.95 32.82 1ajw s ARG 134 CO 0.09 -0.02 0.38 1.63 -0.04 0.00 0.00 175.30 177.34 1ajw n LYS 135 N 2.71 -3.46 -2.15 3.89 4.01 -1.26 -0.40 118.16 121.50 1ajw n LYS 135 Ca -0.15 0.66 -0.20 0.00 -0.51 0.00 0.00 58.31 58.12 1ajw n LYS 135 Cb 0.59 -5.39 -0.03 0.00 -0.51 0.00 0.00 35.03 29.68 1ajw n LYS 135 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ajw n GLY 136 N -1.18 0.24 2.90 0.72 0.00 -1.26 -4.96 105.19 101.64 1ajw n GLY 136 Ca -0.09 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.92 1.24 -0.22 1.61 1.01 0.46 -5.09 120.40 116.49 1ajw s VAL 137 Ca 0.00 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 1ajw s VAL 137 Cb 0.00 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 1ajw s VAL 137 CO 0.00 0.00 1.77 -1.59 0.00 0.00 0.00 175.10 175.29 1ajw s LYS 138 N 1.55 3.64 -0.05 2.72 0.00 -1.26 -3.11 119.74 123.22 1ajw s LYS 138 Ca -0.02 1.75 -0.04 0.00 0.00 0.00 0.00 55.97 57.67 1ajw s LYS 138 Cb -0.17 -4.13 -0.01 0.00 0.00 0.00 0.00 37.83 33.52 1ajw s LYS 138 CO -0.07 -1.49 -0.07 -0.89 0.00 0.00 0.00 175.35 172.82 1ajw n ILE 139 N 6.73 0.55 -3.76 3.79 5.41 -1.16 -5.03 119.36 125.88 1ajw n ILE 139 Ca 0.21 0.39 -0.02 0.00 1.00 0.00 0.00 62.75 64.33 1ajw n ILE 139 Cb 0.45 -1.85 -0.01 0.00 -0.71 0.00 0.00 39.64 37.53 1ajw n ILE 139 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 1ajw s ASP 140 N -4.37 -0.12 0.32 4.38 1.47 -1.26 -5.02 116.67 112.07 1ajw s ASP 140 Ca -0.06 -0.42 0.05 0.00 1.18 0.00 0.00 52.55 53.30 1ajw s ASP 140 Cb 0.01 0.43 -0.06 0.00 -0.34 0.00 0.00 42.92 42.96 1ajw s ASP 140 CO 0.09 -0.82 0.02 -0.54 0.68 0.00 0.00 175.17 174.60 1ajw s LYS 141 N -2.90 1.64 -0.13 2.11 3.01 -1.26 0.14 119.74 122.35 1ajw s LYS 141 Ca 0.15 -1.89 -0.01 0.00 -1.01 0.00 0.00 55.97 53.21 1ajw s LYS 141 Cb -0.01 -1.00 0.03 0.00 -1.01 0.00 0.00 37.83 35.85 1ajw s LYS 141 CO 0.02 -0.11 -0.04 0.99 0.51 0.00 0.00 175.35 176.72 1ajw s THR 142 N -3.17 0.84 -0.33 2.17 2.01 0.32 -4.92 115.64 112.56 1ajw s THR 142 Ca 0.34 -0.33 -0.17 0.00 0.31 0.00 0.00 61.69 61.84 1ajw s THR 142 Cb 0.07 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.58 1ajw s THR 142 CO 0.14 0.20 0.48 -1.81 -0.69 0.00 0.00 174.62 172.94 1ajw s ASP 143 N 1.77 6.30 -0.02 3.53 1.11 -1.26 -0.79 116.67 127.31 1ajw s ASP 143 Ca 0.03 0.05 0.05 0.00 0.18 0.00 0.00 52.55 52.86 1ajw s ASP 143 Cb -0.14 -2.25 -0.03 0.00 1.07 0.00 0.00 42.92 41.57 1ajw s ASP 143 CO -0.07 -0.40 -0.14 -0.31 1.18 0.00 0.00 175.17 175.43 1ajw s TYR 144 N 2.29 2.69 -0.24 4.23 2.02 0.20 -4.95 117.35 123.59 1ajw s TYR 144 Ca 0.18 -0.17 -0.12 0.00 -0.37 0.00 0.00 57.07 56.58 1ajw s TYR 144 Cb -0.16 -1.58 -0.05 0.00 -0.40 0.00 0.00 41.96 39.78 1ajw s TYR 144 CO 0.12 0.23 0.25 1.41 -1.57 0.00 0.00 175.55 175.99 1ajw s MET 145 N -1.04 4.07 -0.13 -0.62 1.75 -1.26 0.97 119.30 123.05 1ajw s MET 145 Ca 0.13 -0.12 -0.18 0.00 -1.25 0.00 0.00 55.69 54.27 1ajw s MET 145 Cb -0.11 -3.57 -0.16 0.00 2.84 0.00 0.00 34.83 33.83 1ajw s MET 145 CO 0.03 -0.04 0.48 0.28 -0.65 0.00 0.00 175.02 175.13 1ajw h VAL 146 N 5.11 1.13 0.00 10.11 2.07 -1.83 -3.47 116.25 129.38 1ajw h VAL 146 Ca -0.36 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.31 1ajw h VAL 146 Cb 1.17 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1ajw h VAL 146 CO 0.66 0.38 0.00 0.61 0.02 0.00 0.00 177.57 179.24 1ajw n GLY 147 N 1.67 0.83 3.87 2.17 0.00 -1.25 -4.99 105.19 107.49 1ajw n GLY 147 Ca -0.06 -2.05 -0.34 0.00 0.00 0.00 0.00 46.02 43.57 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 -2.66 6.66 -0.13 1.61 1.04 -1.26 -2.47 113.70 116.50 1ajw s SER 148 Ca 0.00 0.83 -0.06 0.00 0.48 0.00 0.00 55.95 57.21 1ajw s SER 148 Cb 0.00 -2.19 0.06 0.00 0.10 0.00 0.00 66.02 63.98 1ajw s SER 148 CO 0.00 0.13 0.28 -0.31 0.98 0.00 0.00 173.24 174.32 1ajw s TYR 149 N -1.46 -0.42 0.42 5.02 2.02 -1.15 -4.95 117.35 116.83 1ajw s TYR 149 Ca 0.36 0.95 0.01 0.00 -0.37 0.00 0.00 57.07 58.02 1ajw s TYR 149 Cb -0.14 0.05 -0.01 0.00 -0.40 0.00 0.00 41.96 41.47 1ajw s TYR 149 CO 0.19 -0.30 0.62 0.20 -1.57 0.00 0.00 175.55 174.69 1ajw s GLY 150 N 1.76 1.54 -1.11 0.71 0.00 -1.26 -1.63 107.32 107.33 1ajw s GLY 150 Ca -0.05 -1.11 -0.22 0.00 0.00 0.00 0.00 44.72 43.33 1ajw s GLY 150 CO -0.09 -0.97 1.86 2.56 0.00 0.00 0.00 173.10 176.45 1ajw s PRO 151 N -4.45 2.87 -0.05 2.90 0.04 -1.26 -4.69 135.00 130.36 1ajw s PRO 151 Ca 0.47 -1.07 -0.05 0.00 0.04 0.00 0.00 61.00 60.39 1ajw s PRO 151 Cb -0.10 -5.26 -0.02 0.00 0.04 0.00 0.00 34.50 29.17 1ajw s PRO 151 CO 0.36 -3.35 -0.10 -2.13 0.04 0.00 0.00 177.00 171.82 1ajw n ARG 152 N 8.52 0.16 -3.64 4.56 0.63 -1.26 -4.92 116.66 120.71 1ajw n ARG 152 Ca 0.43 0.12 -0.04 0.00 -0.92 0.00 0.00 57.85 57.45 1ajw n ARG 152 Cb 0.47 -0.85 -0.07 0.00 0.45 0.00 0.00 32.46 32.47 1ajw n ARG 152 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ajw s ALA 153 N -2.96 -2.23 0.00 5.13 0.00 -1.26 -5.10 121.76 115.34 1ajw s ALA 153 Ca -0.08 2.11 0.00 0.00 0.00 0.00 0.00 51.96 53.98 1ajw s ALA 153 Cb 0.01 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.46 1ajw s ALA 153 CO 0.12 -0.31 0.00 -1.91 0.00 0.00 0.00 175.76 173.66 1ajw n GLU 154 N 3.28 0.00 -3.11 0.00 4.07 -1.26 -4.80 120.64 118.82 1ajw n GLU 154 Ca -0.17 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 56.75 1ajw n GLU 154 Cb 0.57 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.96 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 0.00 2.72 0.52 5.31 1.03 -1.26 -3.28 118.70 123.74 1ajw s GLU 155 Ca 0.00 -1.34 0.06 0.00 0.03 0.00 0.00 54.97 53.72 1ajw s GLU 155 Cb 0.00 -2.68 0.03 0.00 -0.80 0.00 0.00 34.13 30.68 1ajw s GLU 155 CO 0.00 -0.33 0.39 0.71 -1.33 0.00 0.00 175.26 174.70 1ajw s TYR 156 N -2.41 1.82 -0.22 4.83 1.51 -0.79 -4.88 117.35 117.21 1ajw s TYR 156 Ca 0.54 -0.78 -0.02 0.00 -1.01 0.00 0.00 57.07 55.81 1ajw s TYR 156 Cb -0.08 -1.95 0.06 0.00 -0.11 0.00 0.00 41.96 39.88 1ajw s TYR 156 CO 0.33 -0.39 0.02 -2.00 -1.11 0.00 0.00 175.55 172.39 1ajw s GLU 157 N -4.24 0.94 0.72 -0.62 2.12 -1.26 -3.21 118.70 113.15 1ajw s GLU 157 Ca 0.36 -0.66 -0.09 0.00 0.36 0.00 0.00 54.97 54.95 1ajw s GLU 157 Cb -0.02 -2.24 0.05 0.00 0.26 0.00 0.00 34.13 32.18 1ajw s GLU 157 CO 0.22 -0.67 1.06 0.12 -0.54 0.00 0.00 175.26 175.46 1ajw s PHE 158 N 1.70 3.06 -0.39 5.30 5.36 -0.23 -4.88 117.98 127.90 1ajw s PHE 158 Ca -0.01 0.69 0.05 0.00 -0.96 0.00 0.00 56.93 56.70 1ajw s PHE 158 Cb -0.18 -3.19 0.17 0.00 -0.34 0.00 0.00 43.02 39.48 1ajw s PHE 158 CO -0.09 -1.39 0.48 -1.17 -1.46 0.00 0.00 175.22 171.59 1ajw s LEU 159 N -5.33 -0.65 0.63 6.12 0.20 -1.26 -3.12 118.68 115.27 1ajw s LEU 159 Ca 0.59 -1.27 -0.13 0.00 0.69 0.00 0.00 54.13 54.02 1ajw s LEU 159 Cb -0.11 1.13 -0.03 0.00 -0.43 0.00 0.00 46.19 46.75 1ajw s LEU 159 CO 0.48 -0.22 1.04 0.42 -0.29 0.00 0.00 176.35 177.77 1ajw s THR 160 N 1.59 4.22 0.81 3.68 -4.23 -0.68 -4.93 115.64 116.10 1ajw s THR 160 Ca 0.17 0.83 -0.12 0.00 -1.18 0.00 0.00 61.69 61.40 1ajw s THR 160 Cb -0.11 -3.56 0.08 0.00 1.34 0.00 0.00 72.50 70.26 1ajw s THR 160 CO -0.04 -0.83 1.14 -2.16 -0.54 0.00 0.00 174.62 172.18 1ajw s PRO 161 N -4.74 1.78 0.31 3.99 0.04 -1.26 -3.43 135.00 131.69 1ajw s PRO 161 Ca 0.59 1.46 -0.29 0.00 0.04 0.00 0.00 61.00 62.79 1ajw s PRO 161 Cb -0.13 -1.82 -0.12 0.00 0.04 0.00 0.00 34.50 32.47 1ajw s PRO 161 CO 0.48 -2.05 1.40 0.00 0.04 0.00 0.00 177.00 176.87 1ajw n MET 162 N -3.56 2.27 -4.11 4.56 0.00 -1.26 -4.45 117.12 110.58 1ajw n MET 162 Ca 0.11 0.80 -0.33 0.00 0.00 0.00 0.00 57.70 58.29 1ajw n MET 162 Cb 0.52 -2.46 -0.16 0.00 0.00 0.00 0.00 33.22 31.12 1ajw n MET 162 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1ajw s GLU 163 N -1.26 2.88 0.20 3.17 2.56 0.28 -4.74 118.70 121.79 1ajw s GLU 163 Ca 0.60 -0.82 -0.30 0.00 0.00 0.00 0.00 54.97 54.45 1ajw s GLU 163 Cb -0.57 -2.53 -0.09 0.00 2.00 0.00 0.00 34.13 32.94 1ajw s GLU 163 CO 0.57 -0.23 1.39 -1.21 -0.56 0.00 0.00 175.26 175.22 1ajw s GLU 164 N 1.31 4.32 0.80 4.30 2.02 -1.26 -3.13 118.70 127.05 1ajw s GLU 164 Ca 0.04 2.16 -0.04 0.00 0.02 0.00 0.00 54.97 57.16 1ajw s GLU 164 Cb -0.13 -3.17 0.16 0.00 0.10 0.00 0.00 34.13 31.09 1ajw s GLU 164 CO -0.12 -0.37 1.09 0.00 0.02 0.00 0.00 175.26 175.88 1ajw s ALA 165 N 0.33 3.41 -0.05 5.21 0.00 -1.19 -4.91 121.76 124.57 1ajw s ALA 165 Ca 0.60 -1.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.51 1ajw s ALA 165 Cb -0.39 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 1ajw s ALA 165 CO 0.38 -1.79 1.36 -1.25 0.00 0.00 0.00 175.76 174.46 1ajw s PRO 166 N -5.35 4.28 0.28 0.00 0.04 -1.26 -3.70 135.00 129.29 1ajw s PRO 166 Ca 0.70 1.87 0.01 0.00 0.04 0.00 0.00 61.00 63.62 1ajw s PRO 166 Cb -0.04 -3.64 0.01 0.00 0.04 0.00 0.00 34.50 30.87 1ajw s PRO 166 CO 0.47 -0.60 0.11 0.36 0.04 0.00 0.00 177.00 177.38 1ajw n LYS 167 N 5.73 1.20 0.00 4.56 2.85 -1.26 -2.88 118.16 128.35 1ajw n LYS 167 Ca 0.13 -1.93 0.00 0.00 -1.05 0.00 0.00 58.31 55.47 1ajw n LYS 167 Cb 0.44 0.37 0.00 0.00 -0.65 0.00 0.00 35.03 35.20 1ajw n LYS 167 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ajw n GLY 168 N 1.59 2.68 0.29 2.58 0.00 -1.26 -4.32 105.19 106.75 1ajw n GLY 168 Ca -0.06 -1.88 0.13 0.00 0.00 0.00 0.00 46.02 44.20 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 0.00 -0.98 1.61 4.05 -1.99 -0.70 114.93 116.92 1ajw h MET 169 Ca 0.00 0.00 -0.46 0.00 -0.28 0.00 0.00 59.70 58.96 1ajw h MET 169 Cb 0.00 0.00 -0.27 0.00 -0.80 0.00 0.00 31.60 30.53 1ajw h MET 169 CO 0.00 0.00 0.58 -0.11 0.23 0.00 0.00 176.91 177.61 1ajw n LEU 170 N -4.15 6.42 -0.15 3.39 -0.00 -1.26 -4.21 117.00 117.05 1ajw n LEU 170 Ca -0.02 -3.42 0.07 0.00 -0.00 0.00 0.00 56.01 52.64 1ajw n LEU 170 Cb 0.13 -0.81 0.10 0.00 -0.00 0.00 0.00 43.42 42.84 1ajw n LEU 170 CO 0.30 0.99 0.49 0.00 -0.00 0.00 0.00 177.39 179.18 1ajw n ALA 171 N -0.95 2.16 -2.77 1.96 0.00 -0.27 -5.03 120.51 115.61 1ajw n ALA 171 Ca 0.54 -2.13 -0.36 0.00 0.00 0.00 0.00 53.44 51.50 1ajw n ALA 171 Cb 1.57 -0.36 -0.07 0.00 0.00 0.00 0.00 19.45 20.58 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 -2.10 3.97 0.00 0.00 0.52 -1.26 -4.71 118.95 115.37 1ajw s ARG 172 Ca 0.22 -0.20 0.00 0.00 -0.52 0.00 0.00 55.73 55.24 1ajw s ARG 172 Cb 0.20 -3.35 0.00 0.00 0.52 0.00 0.00 34.95 32.32 1ajw s ARG 172 CO 0.02 0.44 0.00 0.41 0.02 0.00 0.00 175.30 176.19 1ajw n GLY 173 N 3.08 0.71 3.69 -3.53 0.00 -1.20 -4.88 105.19 103.05 1ajw n GLY 173 Ca -0.17 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 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 6.99 -0.29 1.61 1.04 -1.26 -0.66 113.70 121.13 1ajw s SER 174 Ca 0.00 1.20 -0.07 0.00 0.48 0.00 0.00 55.95 57.56 1ajw s SER 174 Cb 0.00 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1ajw s SER 174 CO 0.00 -0.29 0.09 -0.31 0.98 0.00 0.00 173.24 173.71 1ajw s TYR 175 N 1.60 3.14 -0.10 5.02 1.51 0.05 -4.73 117.35 123.84 1ajw s TYR 175 Ca 0.39 -0.82 -0.30 0.00 -1.01 0.00 0.00 57.07 55.33 1ajw s TYR 175 Cb -0.17 -2.27 -0.03 0.00 -0.11 0.00 0.00 41.96 39.38 1ajw s TYR 175 CO 0.16 -0.52 1.24 1.21 -1.11 0.00 0.00 175.55 176.53 1ajw s ASN 176 N 1.54 6.99 0.15 2.29 3.84 0.23 -1.08 114.94 128.90 1ajw s ASN 176 Ca 0.04 1.78 0.09 0.00 0.21 0.00 0.00 52.86 54.98 1ajw s ASN 176 Cb -0.17 -2.55 -0.04 0.00 -0.55 0.00 0.00 41.25 37.94 1ajw s ASN 176 CO 0.03 -0.67 -0.16 -0.63 -2.79 0.00 0.00 177.10 172.88 1ajw s ILE 177 N 2.81 2.87 -0.14 -5.21 1.01 -0.03 -0.60 121.20 121.92 1ajw s ILE 177 Ca 0.56 -1.64 -0.00 0.00 0.00 0.00 0.00 60.65 59.56 1ajw s ILE 177 Cb -0.24 -2.36 0.03 0.00 0.01 0.00 0.00 42.46 39.90 1ajw s ILE 177 CO 0.19 -0.00 -0.06 -0.75 0.00 0.00 0.00 174.94 174.31 1ajw s LYS 178 N -2.45 1.47 0.31 2.79 2.20 -0.75 -1.58 119.74 121.74 1ajw s LYS 178 Ca 0.21 -0.36 0.09 0.00 -0.36 0.00 0.00 55.97 55.55 1ajw s LYS 178 Cb -0.10 -1.76 -0.05 0.00 -1.51 0.00 0.00 37.83 34.41 1ajw s LYS 178 CO 0.12 -0.34 0.03 0.45 -0.36 0.00 0.00 175.35 175.24 1ajw s SER 179 N 1.68 4.38 -0.26 1.43 0.15 -1.18 0.13 113.70 120.03 1ajw s SER 179 Ca 0.03 -0.83 -0.02 0.00 0.70 0.00 0.00 55.95 55.83 1ajw s SER 179 Cb -0.14 -0.66 0.14 0.00 -1.71 0.00 0.00 66.02 63.65 1ajw s SER 179 CO -0.08 -0.16 0.40 -0.60 1.20 0.00 0.00 173.24 174.00 1ajw s ARG 180 N -3.72 0.38 -0.32 5.44 3.52 -1.06 -2.77 118.95 120.42 1ajw s ARG 180 Ca 0.34 0.50 -0.28 0.00 -0.13 0.00 0.00 55.73 56.16 1ajw s ARG 180 Cb -0.03 -0.36 0.02 0.00 -1.56 0.00 0.00 34.95 33.01 1ajw s ARG 180 CO 0.20 -0.71 1.04 0.12 -0.81 0.00 0.00 175.30 175.14 1ajw s PHE 181 N 2.57 3.15 0.40 5.12 2.19 -1.01 -3.17 117.98 127.23 1ajw s PHE 181 Ca 0.13 1.14 0.04 0.00 0.33 0.00 0.00 56.93 58.57 1ajw s PHE 181 Cb -0.15 -3.65 -0.05 0.00 -1.31 0.00 0.00 43.02 37.86 1ajw s PHE 181 CO -0.19 -0.75 0.05 0.95 1.83 0.00 0.00 175.22 177.11 1ajw s THR 182 N 3.59 1.23 0.35 0.12 -4.23 0.15 -1.84 115.64 115.01 1ajw s THR 182 Ca 0.44 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.96 1ajw s THR 182 Cb -0.12 -2.61 -0.01 0.00 1.34 0.00 0.00 72.50 71.10 1ajw s THR 182 CO 0.15 0.00 0.42 1.51 -0.54 0.00 0.00 174.62 176.16 1ajw s ASP 183 N -3.64 1.25 -0.95 3.99 -4.77 -1.25 0.10 116.67 111.40 1ajw s ASP 183 Ca 0.27 -1.61 -0.03 0.00 -3.30 0.00 0.00 52.55 47.88 1ajw s ASP 183 Cb 0.06 0.64 0.24 0.00 -1.09 0.00 0.00 42.92 42.78 1ajw s ASP 183 CO 0.13 -1.24 2.15 -0.90 0.70 0.00 0.00 175.17 176.02 1ajw n ASP 184 N -1.54 7.41 0.07 2.11 5.75 -0.84 -4.50 116.55 125.01 1ajw n ASP 184 Ca 0.03 -3.54 0.00 0.00 -0.01 0.00 0.00 54.79 51.27 1ajw n ASP 184 Cb 0.62 -1.19 0.00 0.00 -1.03 0.00 0.00 41.12 39.51 1ajw n ASP 184 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1ajw n ASP 185 N 0.33 0.05 0.00 -1.12 9.92 -1.26 -4.93 116.55 119.54 1ajw n ASP 185 Ca 0.52 0.24 0.00 0.00 -0.53 0.00 0.00 54.79 55.03 1ajw n ASP 185 Cb 0.30 0.15 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 1ajw n ASP 185 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ajw n ARG 186 N -3.06 0.00 -0.01 -1.24 3.00 -1.26 -5.17 116.66 108.92 1ajw n ARG 186 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1ajw n ARG 186 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1ajw n ARG 186 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1ajw n THR 187 N -1.50 0.00 -2.26 0.55 5.66 -1.26 -5.02 114.28 110.44 1ajw n THR 187 Ca 0.00 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.57 1ajw n THR 187 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 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 1.79 6.67 0.18 1.09 -4.77 -1.26 -3.87 116.67 116.49 1ajw s ASP 188 Ca 0.00 1.65 -0.13 0.00 -3.30 0.00 0.00 52.55 50.76 1ajw s ASP 188 Cb 0.00 -2.54 0.09 0.00 -1.09 0.00 0.00 42.92 39.38 1ajw s ASP 188 CO 0.00 -1.01 1.84 0.45 0.70 0.00 0.00 175.17 177.14 1ajw h HIS 189 N 9.44 0.67 -2.41 2.11 3.86 -1.67 -3.46 115.15 123.69 1ajw h HIS 189 Ca -0.31 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 58.93 1ajw h HIS 189 Cb 1.13 -0.23 -0.16 0.00 1.06 0.00 0.00 27.41 29.22 1ajw h HIS 189 CO 0.87 0.41 0.31 -1.17 0.86 0.00 0.00 177.93 179.21 1ajw s LEU 190 N -10.17 -0.53 0.01 2.43 2.96 -1.24 -5.00 118.68 107.14 1ajw s LEU 190 Ca -0.13 0.24 -0.08 0.00 -0.22 0.00 0.00 54.13 53.94 1ajw s LEU 190 Cb 0.13 2.37 0.00 0.00 0.50 0.00 0.00 46.19 49.19 1ajw s LEU 190 CO 0.75 -0.73 0.15 -0.94 -1.32 0.00 0.00 176.35 174.26 1ajw s SER 191 N -2.09 0.02 0.00 3.68 1.04 -1.26 -2.42 113.70 112.67 1ajw s SER 191 Ca -0.02 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1ajw s SER 191 Cb -0.01 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1ajw s SER 191 CO -0.04 -0.40 0.00 -2.67 0.98 0.00 0.00 173.24 171.10 1ajw n TRP 192 N 1.32 0.00 -3.64 5.02 2.14 -1.11 -5.03 117.44 116.14 1ajw n TRP 192 Ca -0.22 0.00 -0.09 0.00 2.07 0.00 0.00 57.50 59.26 1ajw n TRP 192 Cb 0.56 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 30.99 1ajw n TRP 192 CO 0.00 0.00 0.00 -1.83 2.07 0.00 0.00 177.69 177.93 1ajw s GLU 193 N 1.61 0.46 -0.02 -2.67 -1.05 -1.26 -3.11 118.70 112.66 1ajw s GLU 193 Ca 0.00 0.53 -0.08 0.00 -0.15 0.00 0.00 54.97 55.28 1ajw s GLU 193 Cb 0.00 0.22 0.01 0.00 -0.44 0.00 0.00 34.13 33.92 1ajw s GLU 193 CO 0.00 -0.06 0.17 1.67 0.95 0.00 0.00 175.26 177.99 1ajw s TRP 194 N 0.17 -0.05 0.57 4.83 1.48 -0.62 -4.54 118.94 120.79 1ajw s TRP 194 Ca 0.04 0.09 -0.05 0.00 -1.06 0.00 0.00 56.10 55.11 1ajw s TRP 194 Cb -0.05 -0.00 0.01 0.00 -1.16 0.00 0.00 33.47 32.27 1ajw s TRP 194 CO -0.07 -0.25 0.86 -0.80 -4.06 0.00 0.00 176.95 172.63 1ajw s ASN 195 N -0.97 5.59 -0.24 -2.66 -0.87 -1.26 -0.85 114.94 113.68 1ajw s ASN 195 Ca -0.11 0.61 -0.03 0.00 -1.57 0.00 0.00 52.86 51.76 1ajw s ASN 195 Cb -0.06 -1.62 0.10 0.00 -0.02 0.00 0.00 41.25 39.65 1ajw s ASN 195 CO 0.01 -1.03 0.19 -0.22 -2.57 0.00 0.00 177.10 173.49 1ajw s LEU 196 N -4.92 0.09 -0.06 0.60 2.96 -0.24 -3.88 118.68 113.23 1ajw s LEU 196 Ca 0.53 -0.66 -0.30 0.00 -0.22 0.00 0.00 54.13 53.48 1ajw s LEU 196 Cb -0.10 0.13 -0.02 0.00 0.50 0.00 0.00 46.19 46.70 1ajw s LEU 196 CO 0.44 -0.37 1.02 -0.89 -1.32 0.00 0.00 176.35 175.23 1ajw s THR 197 N 2.25 4.73 0.23 3.68 2.01 -0.90 -0.77 115.64 126.87 1ajw s THR 197 Ca 0.07 1.98 0.05 0.00 0.31 0.00 0.00 61.69 64.10 1ajw s THR 197 Cb -0.15 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.05 1ajw s THR 197 CO -0.22 0.06 0.36 -0.63 -0.69 0.00 0.00 174.62 173.50 1ajw s ILE 198 N 1.67 5.26 0.00 1.82 -1.09 0.17 0.12 121.20 129.14 1ajw s ILE 198 Ca 0.51 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 57.99 1ajw s ILE 198 Cb -0.20 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 36.83 1ajw s ILE 198 CO 0.22 -0.31 0.00 1.17 -1.23 0.00 0.00 174.94 174.79 1ajw n LYS 199 N -1.34 0.00 0.00 2.79 4.81 0.30 -3.22 118.16 121.50 1ajw n LYS 199 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 1ajw n LYS 199 Cb 0.57 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.62 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 2.66 -2.73 1.64 2.85 -1.26 -0.34 118.16 120.97 1ajw n LYS 200 Ca 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.17 1ajw n LYS 200 Cb 0.00 -0.77 0.08 0.00 -0.65 0.00 0.00 35.03 33.69 1ajw n LYS 200 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1ajw n GLU 201 N -1.20 0.98 0.05 -1.58 1.02 -1.26 -4.70 120.64 113.95 1ajw n GLU 201 Ca 0.00 -1.89 0.07 0.00 -0.02 0.00 0.00 57.16 55.32 1ajw n GLU 201 Cb 0.00 -1.10 0.31 0.00 -0.02 0.00 0.00 31.44 30.63 1ajw n GLU 201 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 1ajw n TRP 202 N 0.57 0.27 -1.70 -0.32 4.27 -1.26 -2.56 117.44 116.71 1ajw n TRP 202 Ca 0.06 0.12 0.06 0.00 -3.89 0.00 0.00 57.50 53.85 1ajw n TRP 202 Cb 0.69 -0.69 0.18 0.00 -1.36 0.00 0.00 31.31 30.13 1ajw n TRP 202 CO 0.00 0.00 0.00 0.36 -2.29 0.00 0.00 177.69 175.76 1ajw n LYS 203 N -1.76 1.36 0.00 -2.67 0.00 -1.26 -4.76 118.16 109.08 1ajw n LYS 203 Ca 0.02 -3.10 0.00 0.00 -0.00 0.00 0.00 58.31 55.23 1ajw n LYS 203 Cb 0.12 -1.40 0.00 0.00 -0.00 0.00 0.00 35.03 33.75 1ajw n LYS 203 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00