#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ajw s VAL 61 N 0.00 0.88 0.04 0.00 -7.23 -1.26 -5.07 120.40 107.77 1ajw s VAL 61 Ca 0.00 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 1ajw s VAL 61 Cb 0.00 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.57 1ajw s VAL 61 CO 0.00 -0.28 0.00 -1.54 -0.31 0.00 0.00 175.10 172.97 1ajw n SER 62 N -0.40 -0.40 -3.25 4.85 3.41 -1.26 -5.15 113.62 111.41 1ajw n SER 62 Ca -0.04 0.10 -0.13 0.00 -0.26 0.00 0.00 58.87 58.53 1ajw n SER 62 Cb 0.64 0.73 0.08 0.00 -0.26 0.00 0.00 64.21 65.40 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 -2.42 -0.15 -2.93 7.33 0.00 -1.26 -5.09 120.51 115.99 1ajw n ALA 63 Ca 0.00 -1.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.15 1ajw n ALA 63 Cb 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 19.45 19.52 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 -3.27 6.33 0.57 0.00 1.01 -1.26 -5.11 116.67 114.95 1ajw s ASP 64 Ca 0.36 0.22 0.00 0.00 0.71 0.00 0.00 52.55 53.84 1ajw s ASP 64 Cb -0.02 -1.93 0.00 0.00 1.01 0.00 0.00 42.92 41.99 1ajw s ASP 64 CO 0.25 0.12 0.00 -0.81 0.21 0.00 0.00 175.17 174.93 1ajw n PRO 65 N -0.07 -0.00 0.00 8.23 -0.04 -1.26 -5.03 135.00 136.83 1ajw n PRO 65 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1ajw n PRO 65 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 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 -1.72 -1.61 -3.30 3.54 3.02 -1.26 -4.54 115.26 109.38 1ajw n ASN 66 Ca 0.00 -0.05 -0.09 0.00 -0.03 0.00 0.00 54.58 54.42 1ajw n ASN 66 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1ajw n ASN 66 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1ajw n VAL 67 N -2.65 -7.97 -0.35 2.41 0.31 -1.26 -5.00 118.33 103.82 1ajw n VAL 67 Ca 0.00 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1ajw n VAL 67 Cb 0.00 -5.64 0.00 0.00 -0.91 0.00 0.00 33.84 27.29 1ajw n VAL 67 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1ajw n PRO 68 N -2.12 0.05 0.00 5.55 -0.04 -1.26 -4.96 135.00 132.22 1ajw n PRO 68 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1ajw n PRO 68 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 1ajw n PRO 68 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1ajw n ASN 69 N -1.65 0.00 -3.90 3.54 2.85 -1.26 -4.42 115.26 110.42 1ajw n ASN 69 Ca 0.00 0.12 -0.18 0.00 -0.11 0.00 0.00 54.58 54.41 1ajw n ASN 69 Cb 0.00 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 40.86 1ajw n ASN 69 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1ajw s VAL 70 N -0.24 0.41 0.06 3.44 1.01 -1.26 -2.91 120.40 120.91 1ajw s VAL 70 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1ajw s VAL 70 Cb 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 1ajw s VAL 70 CO 0.00 0.17 -0.06 -0.69 0.00 0.00 0.00 175.10 174.52 1ajw s VAL 71 N 0.53 0.47 -0.55 2.92 1.01 -1.25 -4.50 120.40 119.03 1ajw s VAL 71 Ca -0.06 -1.49 -0.27 0.00 0.00 0.00 0.00 61.98 60.16 1ajw s VAL 71 Cb -0.10 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1ajw s VAL 71 CO -0.00 -0.69 2.03 -0.69 0.00 0.00 0.00 175.10 175.75 1ajw s VAL 72 N -2.66 3.25 -0.03 2.92 1.01 -1.26 -3.26 120.40 120.36 1ajw s VAL 72 Ca -0.00 0.16 -0.21 0.00 0.00 0.00 0.00 61.98 61.93 1ajw s VAL 72 Cb -0.01 -3.62 -0.14 0.00 0.00 0.00 0.00 36.38 32.61 1ajw s VAL 72 CO -0.04 -0.58 0.93 0.71 0.00 0.00 0.00 175.10 176.12 1ajw h THR 73 N 7.13 0.60 -3.16 3.92 1.35 -1.47 -3.37 112.91 117.91 1ajw h THR 73 Ca -0.26 -0.85 -0.06 0.00 -0.55 0.00 0.00 66.41 64.69 1ajw h THR 73 Cb 1.20 0.96 -0.15 0.00 -1.73 0.00 0.00 68.15 68.43 1ajw h THR 73 CO 1.18 0.14 -0.08 -0.13 -0.25 0.00 0.00 175.52 176.38 1ajw s ARG 74 N -3.78 1.00 0.24 4.72 0.52 -1.18 -2.69 118.95 117.77 1ajw s ARG 74 Ca -0.12 -0.50 0.08 0.00 -0.52 0.00 0.00 55.73 54.67 1ajw s ARG 74 Cb 0.01 0.44 -0.05 0.00 0.52 0.00 0.00 34.95 35.87 1ajw s ARG 74 CO 0.44 -0.37 -0.13 -1.17 0.02 0.00 0.00 175.30 174.10 1ajw s LEU 75 N -2.35 2.55 0.16 2.53 0.20 -0.68 -1.14 118.68 119.94 1ajw s LEU 75 Ca -0.02 -1.07 -0.08 0.00 0.69 0.00 0.00 54.13 53.65 1ajw s LEU 75 Cb 0.00 -0.73 -0.01 0.00 -0.43 0.00 0.00 46.19 45.02 1ajw s LEU 75 CO -0.06 -0.18 0.26 -0.89 -0.29 0.00 0.00 176.35 175.18 1ajw s THR 76 N -2.91 0.07 -0.28 3.68 2.01 -0.32 -1.69 115.64 116.20 1ajw s THR 76 Ca 0.25 -1.42 -0.04 0.00 0.31 0.00 0.00 61.69 60.80 1ajw s THR 76 Cb -0.00 -1.83 0.10 0.00 0.01 0.00 0.00 72.50 70.78 1ajw s THR 76 CO 0.09 -0.33 0.13 -0.76 -0.69 0.00 0.00 174.62 173.06 1ajw s LEU 77 N -2.97 0.49 0.28 4.42 1.43 -0.79 -2.22 118.68 119.32 1ajw s LEU 77 Ca 0.17 -1.22 -0.24 0.00 -1.03 0.00 0.00 54.13 51.81 1ajw s LEU 77 Cb 0.04 -0.30 -0.09 0.00 0.03 0.00 0.00 46.19 45.86 1ajw s LEU 77 CO -0.01 -0.43 0.87 -0.69 0.23 0.00 0.00 176.35 176.32 1ajw s VAL 78 N 2.11 4.33 0.00 -1.59 1.01 -1.09 -3.12 120.40 122.05 1ajw s VAL 78 Ca 0.09 1.65 0.00 0.00 0.00 0.00 0.00 61.98 63.72 1ajw s VAL 78 Cb -0.16 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1ajw s VAL 78 CO -0.35 0.18 0.00 0.00 0.00 0.00 0.00 175.10 174.93 1ajw n SER 80 N -1.47 0.00 -2.06 0.00 7.64 -1.26 -4.73 113.62 111.73 1ajw n SER 80 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 1ajw n SER 80 Cb 0.00 -0.15 0.08 0.00 -1.01 0.00 0.00 64.21 63.13 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 -1.82 3.05 -2.49 0.44 -2.24 -1.26 -4.96 114.28 105.01 1ajw n THR 81 Ca 0.00 -2.04 -0.23 0.00 -2.27 0.00 0.00 64.05 59.51 1ajw n THR 81 Cb 0.00 -1.04 0.07 0.00 -2.10 0.00 0.00 70.33 67.26 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 -2.75 3.59 0.23 6.98 0.00 -1.26 -4.60 121.76 123.95 1ajw s ALA 82 Ca 0.47 -1.36 0.16 0.00 0.00 0.00 0.00 51.96 51.24 1ajw s ALA 82 Cb 0.38 -2.21 0.64 0.00 0.00 0.00 0.00 23.12 21.93 1ajw s ALA 82 CO 0.02 -1.18 1.73 -1.00 0.00 0.00 0.00 175.76 175.33 1ajw h PRO 83 N -0.36 0.00 0.00 0.00 0.13 -1.93 -3.49 132.00 126.36 1ajw h PRO 83 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 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 0.50 0.42 0.00 0.41 -0.23 0.00 0.00 178.00 179.10 1ajw n GLY 84 N 0.11 -2.02 3.56 1.56 0.00 -1.26 -5.05 105.19 102.09 1ajw n GLY 84 Ca -0.01 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.91 2.67 -0.42 1.61 0.04 -1.26 -4.80 135.00 130.94 1ajw s PRO 85 Ca 0.00 -0.12 -0.27 0.00 0.04 0.00 0.00 61.00 60.65 1ajw s PRO 85 Cb 0.00 -4.88 -0.04 0.00 0.04 0.00 0.00 34.50 29.62 1ajw s PRO 85 CO 0.00 -3.08 2.09 -0.51 0.04 0.00 0.00 177.00 175.54 1ajw s LEU 86 N 9.29 3.41 0.24 -3.56 1.43 -1.18 -4.46 118.68 123.85 1ajw s LEU 86 Ca 0.66 1.15 0.06 0.00 -1.03 0.00 0.00 54.13 54.97 1ajw s LEU 86 Cb -0.08 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.12 1ajw s LEU 86 CO 0.05 -2.27 0.23 -1.83 0.23 0.00 0.00 176.35 172.75 1ajw s GLU 87 N 6.91 3.04 -0.03 1.70 -1.05 -1.26 -1.89 118.70 126.12 1ajw s GLU 87 Ca 0.87 -0.98 0.03 0.00 -0.15 0.00 0.00 54.97 54.74 1ajw s GLU 87 Cb -0.21 -2.64 0.00 0.00 -0.44 0.00 0.00 34.13 30.84 1ajw s GLU 87 CO 0.29 0.41 -0.11 -0.51 0.95 0.00 0.00 175.26 176.29 1ajw s LEU 88 N -3.83 1.85 0.01 1.83 1.43 -0.68 -4.93 118.68 114.35 1ajw s LEU 88 Ca 0.33 -0.22 -0.27 0.00 -1.03 0.00 0.00 54.13 52.95 1ajw s LEU 88 Cb -0.08 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.48 1ajw s LEU 88 CO 0.26 0.09 0.85 -0.62 0.23 0.00 0.00 176.35 177.16 1ajw s ASP 89 N 0.09 7.24 -0.42 2.29 2.15 -1.26 -1.69 116.67 125.07 1ajw s ASP 89 Ca -0.02 1.50 0.10 0.00 0.43 0.00 0.00 52.55 54.56 1ajw s ASP 89 Cb -0.08 -2.50 0.40 0.00 -0.30 0.00 0.00 42.92 40.44 1ajw s ASP 89 CO 0.01 -0.13 0.97 0.18 -0.17 0.00 0.00 175.17 176.03 1ajw n LEU 90 N 3.45 3.09 0.05 -1.34 4.32 -1.09 -4.72 117.00 120.76 1ajw n LEU 90 Ca 0.01 -4.84 0.00 0.00 -0.02 0.00 0.00 56.01 51.16 1ajw n LEU 90 Cb 0.51 -0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 1ajw n LEU 90 CO 0.49 2.08 -0.07 0.35 -1.22 0.00 0.00 177.39 179.02 1ajw n THR 91 N -0.19 0.89 0.07 -5.08 -2.24 -1.26 -4.36 114.28 102.10 1ajw n THR 91 Ca 0.26 0.29 0.00 0.00 -2.27 0.00 0.00 64.05 62.34 1ajw n THR 91 Cb 0.65 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 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 3.14 -0.13 3.54 3.38 0.00 -1.26 -4.92 105.19 108.94 1ajw n GLY 92 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1ajw n GLY 92 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ajw n ASP 93 N -3.16 2.50 -0.04 1.61 -0.08 -1.26 -4.55 116.55 111.56 1ajw n ASP 93 Ca 0.00 -2.63 -0.06 0.00 -1.51 0.00 0.00 54.79 50.59 1ajw n ASP 93 Cb 0.00 -1.66 -0.14 0.00 2.34 0.00 0.00 41.12 41.66 1ajw n ASP 93 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1ajw n LEU 94 N 15.29 0.41 0.17 -2.67 -0.00 -1.26 -4.22 117.00 124.71 1ajw n LEU 94 Ca 0.44 0.19 0.08 0.00 -0.00 0.00 0.00 56.01 56.72 1ajw n LEU 94 Cb 0.46 0.28 0.58 0.00 -0.00 0.00 0.00 43.42 44.74 1ajw n LEU 94 CO 0.70 0.35 1.10 -0.33 -0.00 0.00 0.00 177.39 179.21 1ajw h GLU 95 N 0.00 0.15 0.00 1.96 5.08 -1.97 -1.57 114.58 118.23 1ajw h GLU 95 Ca -0.35 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1ajw h GLU 95 Cb 1.93 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.15 1ajw h GLU 95 CO 0.04 0.10 0.10 0.66 -1.00 0.00 0.00 179.01 178.92 1ajw h SER 96 N 0.15 0.00 0.41 1.42 4.64 -1.95 -3.02 113.55 115.20 1ajw h SER 96 Ca 0.06 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 1ajw h SER 96 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1ajw h SER 96 CO -0.01 0.00 -0.20 -0.26 -0.87 0.00 0.00 176.83 175.49 1ajw h PHE 97 N 0.00 -0.51 -0.00 4.77 -1.00 -1.55 -0.61 116.94 118.03 1ajw h PHE 97 Ca 0.00 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1ajw h PHE 97 Cb 0.21 0.17 -0.00 0.00 3.61 0.00 0.00 35.95 39.94 1ajw h PHE 97 CO 0.00 -0.32 0.11 1.57 -1.61 0.00 0.00 178.31 178.06 1ajw h LYS 98 N -0.62 0.00 0.00 1.51 2.10 -1.63 -0.34 116.57 117.60 1ajw h LYS 98 Ca -0.06 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.53 1ajw h LYS 98 Cb 0.42 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.74 1ajw h LYS 98 CO 0.09 0.00 -0.85 -0.22 -2.00 0.00 0.00 179.45 176.47 1ajw h LYS 99 N 0.00 0.00 -4.62 0.07 1.63 -1.45 -3.46 116.57 108.75 1ajw h LYS 99 Ca 0.00 0.00 -0.49 0.00 -0.85 0.00 0.00 60.65 59.32 1ajw h LYS 99 Cb 0.21 0.00 -0.32 0.00 -0.60 0.00 0.00 32.23 31.52 1ajw h LYS 99 CO -0.00 0.16 -0.81 -0.65 -3.45 0.00 0.00 179.45 174.71 1ajw s GLN 100 N -3.15 1.41 0.08 1.90 -0.21 -0.14 -5.09 119.66 114.46 1ajw s GLN 100 Ca 0.01 -0.38 0.08 0.00 0.02 0.00 0.00 55.36 55.09 1ajw s GLN 100 Cb 0.08 -1.22 -0.04 0.00 1.00 0.00 0.00 33.01 32.83 1ajw s GLN 100 CO 0.77 0.07 -0.16 -1.54 -2.12 0.00 0.00 175.29 172.31 1ajw s SER 101 N 0.46 4.01 0.59 5.90 1.04 -1.26 -4.56 113.70 119.88 1ajw s SER 101 Ca -0.09 -0.46 -0.16 0.00 0.48 0.00 0.00 55.95 55.72 1ajw s SER 101 Cb -0.13 -0.66 -0.04 0.00 0.10 0.00 0.00 66.02 65.30 1ajw s SER 101 CO 0.02 0.21 1.06 -0.36 0.98 0.00 0.00 173.24 175.15 1ajw s PHE 102 N -1.08 3.00 -0.30 5.02 0.08 -1.00 -4.71 117.98 118.99 1ajw s PHE 102 Ca 0.17 1.51 -0.05 0.00 0.12 0.00 0.00 56.93 58.68 1ajw s PHE 102 Cb -0.11 -3.00 0.03 0.00 -0.57 0.00 0.00 43.02 39.37 1ajw s PHE 102 CO 0.09 -1.10 0.05 0.08 -0.10 0.00 0.00 175.22 174.24 1ajw s VAL 103 N -2.47 3.58 0.16 -0.44 1.01 -1.25 0.55 120.40 121.53 1ajw s VAL 103 Ca 0.63 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1ajw s VAL 103 Cb -0.16 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.31 1ajw s VAL 103 CO 0.37 0.01 0.07 0.18 0.00 0.00 0.00 175.10 175.74 1ajw n LEU 104 N 4.78 0.00 -4.54 3.92 4.77 0.30 -4.95 117.00 121.28 1ajw n LEU 104 Ca -0.14 -0.87 -0.25 0.00 -0.03 0.00 0.00 56.01 54.71 1ajw n LEU 104 Cb 0.46 0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.48 1ajw n LEU 104 CO 0.30 -0.27 -0.34 -0.75 -1.33 0.00 0.00 177.39 175.01 1ajw s LYS 105 N -2.61 1.81 -0.52 3.23 2.20 -1.26 0.96 119.74 123.54 1ajw s LYS 105 Ca 0.06 -1.97 -0.41 0.00 -0.36 0.00 0.00 55.97 53.28 1ajw s LYS 105 Cb -0.00 -1.50 -0.18 0.00 -1.51 0.00 0.00 37.83 34.64 1ajw s LYS 105 CO 0.04 0.02 2.20 0.39 -0.36 0.00 0.00 175.35 177.64 1ajw n GLU 106 N -0.81 0.19 -3.78 4.03 1.02 -0.50 -2.98 120.64 117.81 1ajw n GLU 106 Ca -0.05 0.05 -0.26 0.00 -0.02 0.00 0.00 57.16 56.88 1ajw n GLU 106 Cb 0.65 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 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 7.23 -1.23 3.85 0.62 0.00 -0.04 -4.73 105.19 110.89 1ajw n GLY 107 Ca 0.54 0.57 -0.36 0.00 0.00 0.00 0.00 46.02 46.76 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 -3.00 5.07 -0.52 1.61 -7.23 -1.16 -4.43 120.40 110.74 1ajw s VAL 108 Ca 0.04 0.63 -0.28 0.00 -1.81 0.00 0.00 61.98 60.55 1ajw s VAL 108 Cb -0.02 -3.67 0.02 0.00 0.56 0.00 0.00 36.38 33.27 1ajw s VAL 108 CO 0.87 0.42 1.30 -1.83 -0.31 0.00 0.00 175.10 175.55 1ajw s GLU 109 N -1.54 3.49 0.07 4.82 4.04 -1.26 -2.70 118.70 125.62 1ajw s GLU 109 Ca 0.29 0.51 0.08 0.00 0.04 0.00 0.00 54.97 55.89 1ajw s GLU 109 Cb -0.15 -4.04 -0.03 0.00 0.02 0.00 0.00 34.13 29.93 1ajw s GLU 109 CO 0.16 -1.70 -0.22 1.52 -1.84 0.00 0.00 175.26 173.17 1ajw s TYR 110 N 5.35 1.93 0.29 4.83 -0.85 -1.18 -4.64 117.35 123.08 1ajw s TYR 110 Ca 0.51 -0.39 0.07 0.00 -0.52 0.00 0.00 57.07 56.74 1ajw s TYR 110 Cb -0.10 -1.11 -0.03 0.00 0.38 0.00 0.00 41.96 41.10 1ajw s TYR 110 CO 0.28 0.16 0.22 1.03 -1.52 0.00 0.00 175.55 175.71 1ajw s ARG 111 N -1.48 2.79 0.29 -3.49 0.52 -0.82 -1.27 118.95 115.49 1ajw s ARG 111 Ca 0.08 -1.19 0.09 0.00 -0.52 0.00 0.00 55.73 54.19 1ajw s ARG 111 Cb -0.09 -2.49 -0.06 0.00 0.52 0.00 0.00 34.95 32.83 1ajw s ARG 111 CO 0.03 0.27 -0.11 0.42 0.02 0.00 0.00 175.30 175.93 1ajw s ILE 112 N -2.22 2.01 -0.24 1.52 1.01 -1.22 -2.68 121.20 119.38 1ajw s ILE 112 Ca 0.36 -2.22 -0.03 0.00 0.00 0.00 0.00 60.65 58.77 1ajw s ILE 112 Cb -0.07 -2.44 0.13 0.00 0.01 0.00 0.00 42.46 40.09 1ajw s ILE 112 CO 0.25 -0.32 0.35 -0.75 0.00 0.00 0.00 174.94 174.47 1ajw s LYS 113 N -3.64 0.32 0.04 2.79 2.20 -0.94 -1.39 119.74 119.12 1ajw s LYS 113 Ca 0.30 0.42 -0.04 0.00 -0.36 0.00 0.00 55.97 56.29 1ajw s LYS 113 Cb 0.01 -0.61 -0.05 0.00 -1.51 0.00 0.00 37.83 35.68 1ajw s LYS 113 CO 0.13 -0.68 0.26 0.42 -0.36 0.00 0.00 175.35 175.12 1ajw s ILE 114 N 2.50 5.32 0.04 5.43 -1.09 -0.88 -1.17 121.20 131.34 1ajw s ILE 114 Ca 0.11 -0.01 0.06 0.00 -2.23 0.00 0.00 60.65 58.58 1ajw s ILE 114 Cb -0.15 -3.58 -0.02 0.00 -1.58 0.00 0.00 42.46 37.12 1ajw s ILE 114 CO -0.17 0.26 -0.16 -0.55 -1.23 0.00 0.00 174.94 173.09 1ajw s SER 115 N -2.01 1.92 -0.03 3.58 0.15 -0.29 0.46 113.70 117.48 1ajw s SER 115 Ca 0.31 -0.48 -0.23 0.00 0.70 0.00 0.00 55.95 56.25 1ajw s SER 115 Cb -0.13 -0.14 0.05 0.00 -1.71 0.00 0.00 66.02 64.09 1ajw s SER 115 CO 0.20 0.07 0.50 0.72 1.20 0.00 0.00 173.24 175.93 1ajw s PHE 116 N -0.84 -0.42 0.30 3.44 -0.12 -1.19 -1.51 117.98 117.65 1ajw s PHE 116 Ca 0.03 0.68 -0.10 0.00 -0.05 0.00 0.00 56.93 57.49 1ajw s PHE 116 Cb -0.08 0.26 -0.07 0.00 -0.63 0.00 0.00 43.02 42.50 1ajw s PHE 116 CO 0.01 -0.51 0.64 1.03 -0.05 0.00 0.00 175.22 176.35 1ajw s ARG 117 N -1.34 3.82 -0.31 1.99 0.52 -1.20 -0.91 118.95 121.51 1ajw s ARG 117 Ca -0.12 0.37 -0.01 0.00 -0.52 0.00 0.00 55.73 55.44 1ajw s ARG 117 Cb -0.02 -2.54 0.10 0.00 0.52 0.00 0.00 34.95 33.01 1ajw s ARG 117 CO 0.07 0.18 0.11 0.08 0.02 0.00 0.00 175.30 175.76 1ajw s VAL 118 N -2.02 0.66 -0.37 3.52 1.01 -1.20 -3.88 120.40 118.11 1ajw s VAL 118 Ca 0.49 -1.30 0.12 0.00 0.00 0.00 0.00 61.98 61.29 1ajw s VAL 118 Cb -0.11 -1.51 0.45 0.00 0.00 0.00 0.00 36.38 35.21 1ajw s VAL 118 CO 0.24 -0.70 1.05 0.59 0.00 0.00 0.00 175.10 176.27 1ajw n ASN 119 N 4.88 3.14 0.00 3.32 3.02 -1.14 -3.71 115.26 124.77 1ajw n ASN 119 Ca -0.02 -3.19 0.00 0.00 -0.03 0.00 0.00 54.58 51.34 1ajw n ASN 119 Cb 0.42 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 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 -0.32 0.00 -3.68 3.52 5.12 -1.26 -4.83 116.66 115.20 1ajw n ARG 120 Ca 0.25 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 56.03 1ajw n ARG 120 Cb 0.76 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 32.01 1ajw n ARG 120 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1ajw n GLU 121 N -1.33 0.44 -2.29 5.56 2.13 -1.26 -4.84 120.64 119.05 1ajw n GLU 121 Ca 0.00 -2.51 -0.42 0.00 0.66 0.00 0.00 57.16 54.90 1ajw n GLU 121 Cb 0.00 2.20 -0.03 0.00 0.27 0.00 0.00 31.44 33.89 1ajw n GLU 121 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1ajw s ILE 122 N -2.94 3.71 -1.35 6.31 1.01 -1.26 -3.87 121.20 122.81 1ajw s ILE 122 Ca 0.28 0.64 -0.17 0.00 0.00 0.00 0.00 60.65 61.41 1ajw s ILE 122 Cb 0.01 -4.23 0.06 0.00 0.01 0.00 0.00 42.46 38.31 1ajw s ILE 122 CO 0.20 -0.96 1.90 0.52 0.00 0.00 0.00 174.94 176.60 1ajw n VAL 123 N 7.02 3.80 -2.56 2.92 0.31 -0.32 -4.86 118.33 124.65 1ajw n VAL 123 Ca 0.16 -3.76 -0.41 0.00 -0.01 0.00 0.00 64.34 60.31 1ajw n VAL 123 Cb 0.49 -2.44 -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 -0.44 -1.32 0.00 0.00 176.83 175.07 1ajw s SER 124 N 3.85 6.21 0.00 4.52 0.01 -1.26 -3.04 113.70 123.99 1ajw s SER 124 Ca 0.51 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.17 1ajw s SER 124 Cb 0.07 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.74 1ajw s SER 124 CO 0.02 -1.78 0.00 0.61 0.41 0.00 0.00 173.24 172.50 1ajw n GLY 125 N 5.59 0.58 3.68 3.44 0.00 -1.26 -4.55 105.19 112.66 1ajw n GLY 125 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 4.37 0.02 1.61 0.00 -1.14 0.11 119.30 124.27 1ajw s MET 126 Ca 0.00 1.49 0.07 0.00 0.00 0.00 0.00 55.69 57.26 1ajw s MET 126 Cb 0.00 -3.57 -0.02 0.00 0.00 0.00 0.00 34.83 31.24 1ajw s MET 126 CO 0.00 -0.42 -0.22 0.21 0.00 0.00 0.00 175.02 174.59 1ajw s LYS 127 N 2.30 1.62 -0.62 4.11 2.20 0.10 0.43 119.74 129.87 1ajw s LYS 127 Ca 0.51 -0.89 0.02 0.00 -0.36 0.00 0.00 55.97 55.24 1ajw s LYS 127 Cb -0.20 -1.66 0.15 0.00 -1.51 0.00 0.00 37.83 34.61 1ajw s LYS 127 CO 0.18 0.44 0.40 -0.47 -0.36 0.00 0.00 175.35 175.54 1ajw s TYR 128 N -0.67 3.38 0.26 4.03 5.04 0.26 -2.26 117.35 127.39 1ajw s TYR 128 Ca 0.09 -3.10 -0.29 0.00 -2.44 0.00 0.00 57.07 51.32 1ajw s TYR 128 Cb -0.09 -2.92 -0.09 0.00 0.35 0.00 0.00 41.96 39.21 1ajw s TYR 128 CO 0.01 -0.72 0.97 0.42 -1.34 0.00 0.00 175.55 174.89 1ajw s ILE 129 N -0.61 4.00 -0.04 3.14 1.01 -1.18 -2.26 121.20 125.25 1ajw s ILE 129 Ca 0.20 1.94 -0.03 0.00 0.00 0.00 0.00 60.65 62.75 1ajw s ILE 129 Cb -0.18 -4.20 0.02 0.00 0.01 0.00 0.00 42.46 38.10 1ajw s ILE 129 CO -0.06 0.40 0.10 -1.58 0.00 0.00 0.00 174.94 173.81 1ajw s GLN 130 N -1.41 0.10 0.17 2.79 0.74 0.61 -0.36 119.66 122.30 1ajw s GLN 130 Ca 0.44 0.18 0.06 0.00 0.05 0.00 0.00 55.36 56.08 1ajw s GLN 130 Cb -0.25 -0.01 -0.04 0.00 1.10 0.00 0.00 33.01 33.81 1ajw s GLN 130 CO 0.32 -0.05 0.10 -1.01 -0.55 0.00 0.00 175.29 174.10 1ajw s HIS 131 N 0.32 3.07 -0.69 1.67 3.76 0.25 0.36 115.29 124.04 1ajw s HIS 131 Ca -0.02 -0.05 0.04 0.00 -0.15 0.00 0.00 55.06 54.88 1ajw s HIS 131 Cb -0.03 -1.47 0.30 0.00 1.11 0.00 0.00 32.58 32.49 1ajw s HIS 131 CO -0.01 0.52 1.01 2.41 -0.85 0.00 0.00 174.74 177.82 1ajw n THR 132 N -0.30 3.31 -2.52 1.30 -1.04 0.88 -2.10 114.28 113.82 1ajw n THR 132 Ca -0.09 -5.53 -0.40 0.00 -2.04 0.00 0.00 64.05 55.99 1ajw n THR 132 Cb 0.55 -1.73 -0.04 0.00 -1.82 0.00 0.00 70.33 67.29 1ajw n THR 132 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1ajw s TYR 133 N -3.15 3.64 0.00 -1.42 1.51 0.13 -3.47 117.35 114.59 1ajw s TYR 133 Ca 0.43 1.72 0.00 0.00 -1.01 0.00 0.00 57.07 58.21 1ajw s TYR 133 Cb 0.20 -3.24 0.00 0.00 -0.11 0.00 0.00 41.96 38.81 1ajw s TYR 133 CO -0.07 -0.42 0.00 2.89 -1.11 0.00 0.00 175.55 176.84 1ajw n ARG 134 N 1.38 3.86 -1.54 -0.62 1.85 -0.79 0.11 116.66 120.91 1ajw n ARG 134 Ca -0.01 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.70 1ajw n ARG 134 Cb 0.45 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.76 1ajw n ARG 134 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1ajw n LYS 135 N 0.00 0.40 -1.67 2.89 4.01 -1.26 -3.13 118.16 119.41 1ajw n LYS 135 Ca 0.00 -0.83 -0.14 0.00 -0.51 0.00 0.00 58.31 56.83 1ajw n LYS 135 Cb 0.00 -3.29 -0.05 0.00 -0.51 0.00 0.00 35.03 31.18 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 6.48 0.84 2.78 0.72 0.00 -1.26 -4.92 105.19 109.82 1ajw n GLY 136 Ca 0.48 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.30 0.53 -0.18 1.61 1.01 -1.18 -5.11 120.40 114.78 1ajw s VAL 137 Ca 0.00 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 1ajw s VAL 137 Cb 0.00 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 1ajw s VAL 137 CO 0.00 0.09 1.25 -1.59 0.00 0.00 0.00 175.10 174.85 1ajw s LYS 138 N 1.89 4.21 0.00 2.72 0.00 -1.26 -1.88 119.74 125.42 1ajw s LYS 138 Ca 0.03 1.61 0.00 0.00 0.00 0.00 0.00 55.97 57.60 1ajw s LYS 138 Cb -0.14 -3.76 0.00 0.00 0.00 0.00 0.00 37.83 33.92 1ajw s LYS 138 CO -0.07 -0.73 0.00 -0.89 0.00 0.00 0.00 175.35 173.66 1ajw n ILE 139 N 5.44 0.00 -3.63 3.79 5.41 -1.23 -4.98 119.36 124.16 1ajw n ILE 139 Ca 0.14 0.38 -0.02 0.00 1.00 0.00 0.00 62.75 64.25 1ajw n ILE 139 Cb 0.45 -1.25 -0.01 0.00 -0.71 0.00 0.00 39.64 38.11 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 -2.88 -0.14 0.13 4.38 1.47 -1.26 -5.02 116.67 113.35 1ajw s ASP 140 Ca 0.00 -0.15 0.04 0.00 1.18 0.00 0.00 52.55 53.62 1ajw s ASP 140 Cb 0.00 0.26 -0.04 0.00 -0.34 0.00 0.00 42.92 42.80 1ajw s ASP 140 CO 0.00 -0.47 -0.11 -1.59 0.68 0.00 0.00 175.17 173.68 1ajw s LYS 141 N -2.71 0.99 0.03 2.11 0.00 -1.26 -0.08 119.74 118.81 1ajw s LYS 141 Ca 0.11 -1.33 0.07 0.00 0.00 0.00 0.00 55.97 54.82 1ajw s LYS 141 Cb 0.01 -0.65 -0.02 0.00 0.00 0.00 0.00 37.83 37.17 1ajw s LYS 141 CO -0.03 0.09 -0.20 0.99 0.00 0.00 0.00 175.35 176.20 1ajw s THR 142 N -2.87 1.58 -0.98 3.79 2.01 0.16 -4.95 115.64 114.37 1ajw s THR 142 Ca 0.12 -1.08 -0.03 0.00 0.31 0.00 0.00 61.69 61.00 1ajw s THR 142 Cb -0.00 -1.36 0.27 0.00 0.01 0.00 0.00 72.50 71.41 1ajw s THR 142 CO 0.01 0.25 1.10 0.47 -0.69 0.00 0.00 174.62 175.75 1ajw n ASP 143 N 2.05 5.23 -4.76 3.53 9.92 -1.26 -0.29 116.55 130.97 1ajw n ASP 143 Ca -0.17 -3.24 -0.38 0.00 -0.53 0.00 0.00 54.79 50.47 1ajw n ASP 143 Cb 0.53 -1.16 0.02 0.00 -0.64 0.00 0.00 41.12 39.87 1ajw n ASP 143 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1ajw s TYR 144 N -1.98 2.55 -0.22 1.24 2.02 -0.96 -4.80 117.35 115.21 1ajw s TYR 144 Ca 0.31 1.45 -0.06 0.00 -0.37 0.00 0.00 57.07 58.40 1ajw s TYR 144 Cb -0.01 -3.61 -0.03 0.00 -0.40 0.00 0.00 41.96 37.91 1ajw s TYR 144 CO -0.02 -2.28 0.04 1.41 -1.57 0.00 0.00 175.55 173.13 1ajw s MET 145 N -2.82 3.69 -0.12 -0.62 1.75 -1.26 0.92 119.30 120.84 1ajw s MET 145 Ca 0.68 -0.47 -0.13 0.00 -1.25 0.00 0.00 55.69 54.52 1ajw s MET 145 Cb -0.35 -3.20 -0.12 0.00 2.84 0.00 0.00 34.83 34.00 1ajw s MET 145 CO 0.42 -0.03 0.35 0.28 -0.65 0.00 0.00 175.02 175.40 1ajw h VAL 146 N 5.36 0.80 0.00 10.11 2.07 -0.35 -3.47 116.25 130.77 1ajw h VAL 146 Ca -0.37 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 65.57 1ajw h VAL 146 Cb 1.18 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1ajw h VAL 146 CO 0.61 0.27 0.00 0.61 0.02 0.00 0.00 177.57 179.08 1ajw n GLY 147 N 1.67 1.66 3.86 2.17 0.00 -1.06 -4.98 105.19 108.51 1ajw n GLY 147 Ca -0.05 -2.01 -0.32 0.00 0.00 0.00 0.00 46.02 43.64 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 6.69 -0.13 1.61 1.04 -1.26 -2.87 113.70 118.79 1ajw s SER 148 Ca 0.00 1.19 -0.07 0.00 0.48 0.00 0.00 55.95 57.55 1ajw s SER 148 Cb 0.00 -2.34 0.05 0.00 0.10 0.00 0.00 66.02 63.83 1ajw s SER 148 CO 0.00 -0.23 0.31 -0.31 0.98 0.00 0.00 173.24 173.99 1ajw s TYR 149 N -2.04 -0.42 0.48 5.02 2.02 -1.17 -4.95 117.35 116.29 1ajw s TYR 149 Ca 0.52 0.96 -0.10 0.00 -0.37 0.00 0.00 57.07 58.08 1ajw s TYR 149 Cb -0.10 0.13 -0.05 0.00 -0.40 0.00 0.00 41.96 41.53 1ajw s TYR 149 CO 0.21 -0.27 0.85 0.20 -1.57 0.00 0.00 175.55 174.97 1ajw s GLY 150 N 1.25 1.78 -0.81 0.71 0.00 -1.26 -1.17 107.32 107.81 1ajw s GLY 150 Ca -0.09 -0.22 -0.25 0.00 0.00 0.00 0.00 44.72 44.16 1ajw s GLY 150 CO -0.10 -0.01 1.68 2.56 0.00 0.00 0.00 173.10 177.24 1ajw s PRO 151 N -4.37 2.92 0.00 2.90 0.04 -1.25 -4.83 135.00 130.41 1ajw s PRO 151 Ca 0.52 -0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.35 1ajw s PRO 151 Cb -0.10 -4.77 0.00 0.00 0.04 0.00 0.00 34.50 29.67 1ajw s PRO 151 CO 0.39 -2.70 0.00 0.54 0.04 0.00 0.00 177.00 175.27 1ajw n ARG 152 N 9.06 0.00 0.00 4.56 1.74 -1.24 -4.92 116.66 125.85 1ajw n ARG 152 Ca 0.26 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 1ajw n ARG 152 Cb 0.50 -0.29 0.00 0.00 -1.02 0.00 0.00 32.46 31.64 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 -1.30 0.00 -2.58 7.54 0.00 -1.26 -5.03 120.51 117.88 1ajw n ALA 153 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ajw n ALA 153 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ajw n ALA 153 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ajw n GLU 154 N -0.79 3.04 -3.18 0.00 1.02 -1.26 -4.82 120.64 114.64 1ajw n GLU 154 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 1ajw n GLU 154 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1ajw n GLU 154 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1ajw s GLU 155 N 1.45 2.86 0.48 3.49 1.03 -1.26 -3.27 118.70 123.48 1ajw s GLU 155 Ca 0.00 -1.22 0.05 0.00 0.03 0.00 0.00 54.97 53.83 1ajw s GLU 155 Cb 0.00 -2.73 0.05 0.00 -0.80 0.00 0.00 34.13 30.65 1ajw s GLU 155 CO 0.00 -0.18 0.40 0.66 -1.33 0.00 0.00 175.26 174.81 1ajw n TYR 156 N -1.76 -0.91 -3.56 4.83 4.02 -0.08 -4.88 117.16 114.81 1ajw n TYR 156 Ca 0.06 -2.01 -0.29 0.00 -0.01 0.00 0.00 57.90 55.65 1ajw n TYR 156 Cb 0.59 -0.40 -0.15 0.00 -0.02 0.00 0.00 39.34 39.36 1ajw n TYR 156 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1ajw s GLU 157 N -4.01 0.28 0.76 -0.72 2.12 -1.26 -3.16 118.70 112.71 1ajw s GLU 157 Ca 0.30 -0.65 -0.08 0.00 0.36 0.00 0.00 54.97 54.91 1ajw s GLU 157 Cb -0.02 -1.28 0.09 0.00 0.26 0.00 0.00 34.13 33.17 1ajw s GLU 157 CO 0.19 -1.02 1.08 0.12 -0.54 0.00 0.00 175.26 175.09 1ajw s PHE 158 N 1.98 2.68 -0.28 5.30 5.36 0.17 -4.88 117.98 128.31 1ajw s PHE 158 Ca 0.10 0.44 -0.18 0.00 -0.96 0.00 0.00 56.93 56.33 1ajw s PHE 158 Cb -0.17 -3.35 0.09 0.00 -0.34 0.00 0.00 43.02 39.25 1ajw s PHE 158 CO -0.34 -1.65 0.75 -1.17 -1.46 0.00 0.00 175.22 171.35 1ajw s LEU 159 N -5.38 -0.84 0.14 6.12 0.20 -1.26 -2.08 118.68 115.58 1ajw s LEU 159 Ca 0.63 1.38 -0.02 0.00 0.69 0.00 0.00 54.13 56.81 1ajw s LEU 159 Cb -0.10 2.29 -0.05 0.00 -0.43 0.00 0.00 46.19 47.91 1ajw s LEU 159 CO 0.46 -0.22 0.33 0.42 -0.29 0.00 0.00 176.35 177.06 1ajw s THR 160 N 1.37 5.24 0.02 3.68 -4.23 -0.49 -4.96 115.64 116.28 1ajw s THR 160 Ca -0.08 -0.24 -0.00 0.00 -1.18 0.00 0.00 61.69 60.19 1ajw s THR 160 Cb -0.05 -3.67 0.01 0.00 1.34 0.00 0.00 72.50 70.13 1ajw s THR 160 CO -0.16 -0.01 0.02 -0.81 -0.54 0.00 0.00 174.62 173.12 1ajw n PRO 161 N -0.14 -1.36 -1.63 3.99 -0.04 -1.26 -3.38 135.00 131.18 1ajw n PRO 161 Ca -0.04 -0.03 -0.40 0.00 -0.04 0.00 0.00 63.50 62.99 1ajw n PRO 161 Cb 0.52 -0.03 0.02 0.00 -0.04 0.00 0.00 33.50 33.98 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 -1.72 1.35 -3.31 0.54 0.00 -1.26 -4.46 117.12 108.27 1ajw n MET 162 Ca 0.00 0.49 -0.22 0.00 0.00 0.00 0.00 57.70 57.97 1ajw n MET 162 Cb 0.01 -2.16 -0.08 0.00 0.00 0.00 0.00 33.22 30.98 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 -2.29 0.80 0.26 3.17 2.12 -0.40 -4.94 118.70 117.42 1ajw s GLU 163 Ca 0.66 -1.54 -0.30 0.00 0.36 0.00 0.00 54.97 54.15 1ajw s GLU 163 Cb -0.50 -1.05 -0.10 0.00 0.26 0.00 0.00 34.13 32.74 1ajw s GLU 163 CO 0.54 -1.30 1.45 -1.83 -0.54 0.00 0.00 175.26 173.58 1ajw s GLU 164 N 0.67 4.25 0.82 4.30 -1.05 -1.26 -3.13 118.70 123.30 1ajw s GLU 164 Ca 0.26 2.34 -0.05 0.00 -0.15 0.00 0.00 54.97 57.37 1ajw s GLU 164 Cb -0.06 -3.09 0.17 0.00 -0.44 0.00 0.00 34.13 30.71 1ajw s GLU 164 CO -0.10 -0.44 1.13 0.00 0.95 0.00 0.00 175.26 176.80 1ajw s ALA 165 N -0.10 3.29 0.20 -0.84 0.00 -1.10 -4.92 121.76 118.28 1ajw s ALA 165 Ca 0.59 -1.73 -0.30 0.00 0.00 0.00 0.00 51.96 50.52 1ajw s ALA 165 Cb -0.43 -2.16 -0.08 0.00 0.00 0.00 0.00 23.12 20.46 1ajw s ALA 165 CO 0.45 -1.89 1.16 -1.25 0.00 0.00 0.00 175.76 174.23 1ajw s PRO 166 N -5.42 4.54 0.52 0.00 0.04 -1.26 -4.14 135.00 129.28 1ajw s PRO 166 Ca 0.71 1.83 0.04 0.00 0.04 0.00 0.00 61.00 63.62 1ajw s PRO 166 Cb -0.03 -3.24 0.04 0.00 0.04 0.00 0.00 34.50 31.31 1ajw s PRO 166 CO 0.48 -0.01 0.35 0.36 0.04 0.00 0.00 177.00 178.22 1ajw n LYS 167 N 2.29 0.72 0.00 4.56 2.85 -1.26 -0.86 118.16 126.46 1ajw n LYS 167 Ca 0.03 -3.34 0.00 0.00 -1.05 0.00 0.00 58.31 53.95 1ajw n LYS 167 Cb 0.45 0.42 0.00 0.00 -0.65 0.00 0.00 35.03 35.25 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 -1.31 2.66 0.27 2.58 0.00 -1.26 -4.09 105.19 104.03 1ajw n GLY 168 Ca -0.04 -1.86 0.12 0.00 0.00 0.00 0.00 46.02 44.23 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 0.00 1.61 4.05 -1.98 -1.53 114.93 117.08 1ajw h MET 169 Ca 0.00 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.31 1ajw h MET 169 Cb 0.00 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 1ajw h MET 169 CO 0.00 0.05 -0.70 1.25 0.23 0.00 0.00 176.91 177.74 1ajw h LEU 170 N 0.00 0.00 -2.39 3.39 6.46 -2.00 -3.27 115.31 117.50 1ajw h LEU 170 Ca -0.00 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.77 1ajw h LEU 170 Cb 0.11 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.04 1ajw h LEU 170 CO 0.01 0.48 0.06 0.00 -0.62 0.00 0.00 178.44 178.36 1ajw h ALA 171 N 1.52 1.61 -2.47 1.25 0.00 -1.42 -3.41 119.26 116.34 1ajw h ALA 171 Ca -0.04 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.34 1ajw h ALA 171 Cb 1.40 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.22 1ajw h ALA 171 CO 0.06 -0.08 1.14 1.03 0.00 0.00 0.00 179.25 181.39 1ajw s ARG 172 N -4.64 4.14 0.00 0.00 0.52 -1.24 -4.68 118.95 113.06 1ajw s ARG 172 Ca -0.05 2.60 0.00 0.00 -0.52 0.00 0.00 55.73 57.76 1ajw s ARG 172 Cb 0.15 -3.74 0.00 0.00 0.52 0.00 0.00 34.95 31.88 1ajw s ARG 172 CO 0.55 -0.87 0.00 0.41 0.02 0.00 0.00 175.30 175.41 1ajw n GLY 173 N 4.31 -2.84 3.79 -3.53 0.00 -1.19 -4.90 105.19 100.83 1ajw n GLY 173 Ca 0.18 -1.34 -0.37 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.07 6.61 -0.27 1.61 1.04 -1.26 -0.30 113.70 121.06 1ajw s SER 174 Ca 0.00 0.72 0.03 0.00 0.48 0.00 0.00 55.95 57.18 1ajw s SER 174 Cb 0.00 -2.20 0.07 0.00 0.10 0.00 0.00 66.02 63.98 1ajw s SER 174 CO 0.00 0.23 -0.09 -0.31 0.98 0.00 0.00 173.24 174.05 1ajw s TYR 175 N -0.37 3.33 -0.06 5.02 2.02 0.19 -4.20 117.35 123.28 1ajw s TYR 175 Ca 0.20 -2.42 -0.30 0.00 -0.37 0.00 0.00 57.07 54.18 1ajw s TYR 175 Cb -0.15 -2.07 -0.04 0.00 -0.40 0.00 0.00 41.96 39.30 1ajw s TYR 175 CO 0.08 -0.89 1.42 1.21 -1.57 0.00 0.00 175.55 175.80 1ajw s ASN 176 N 1.07 6.84 -0.15 2.29 2.47 0.29 -0.03 114.94 127.73 1ajw s ASN 176 Ca -0.06 2.01 -0.01 0.00 0.42 0.00 0.00 52.86 55.22 1ajw s ASN 176 Cb -0.20 -2.55 -0.01 0.00 -1.45 0.00 0.00 41.25 37.04 1ajw s ASN 176 CO -0.05 -0.78 -0.11 -0.63 -3.72 0.00 0.00 177.10 171.81 1ajw s ILE 177 N 3.13 3.17 -0.38 -5.21 1.01 0.13 0.22 121.20 123.27 1ajw s ILE 177 Ca 0.63 -0.61 -0.15 0.00 0.00 0.00 0.00 60.65 60.53 1ajw s ILE 177 Cb -0.29 -2.36 0.01 0.00 0.01 0.00 0.00 42.46 39.83 1ajw s ILE 177 CO 0.24 0.50 0.30 -0.75 0.00 0.00 0.00 174.94 175.23 1ajw s LYS 178 N 0.60 3.20 -0.17 2.79 2.47 -0.89 -1.56 119.74 126.17 1ajw s LYS 178 Ca -0.06 -0.82 -0.06 0.00 -1.56 0.00 0.00 55.97 53.46 1ajw s LYS 178 Cb -0.15 -3.91 -0.04 0.00 -1.46 0.00 0.00 37.83 32.27 1ajw s LYS 178 CO 0.03 -0.65 0.03 -1.12 0.16 0.00 0.00 175.35 173.80 1ajw s SER 179 N 1.71 5.33 -0.34 1.43 0.01 -1.07 0.88 113.70 121.65 1ajw s SER 179 Ca 0.07 0.01 0.03 0.00 1.31 0.00 0.00 55.95 57.36 1ajw s SER 179 Cb -0.18 -1.90 0.10 0.00 0.21 0.00 0.00 66.02 64.25 1ajw s SER 179 CO 0.11 0.18 0.07 -0.60 0.41 0.00 0.00 173.24 173.40 1ajw s ARG 180 N 0.35 1.28 -0.14 12.44 3.52 0.51 -1.35 118.95 135.56 1ajw s ARG 180 Ca 0.00 -1.68 -0.29 0.00 -0.13 0.00 0.00 55.73 53.63 1ajw s ARG 180 Cb -0.13 -2.87 -0.02 0.00 -1.56 0.00 0.00 34.95 30.37 1ajw s ARG 180 CO 0.01 -0.96 1.23 0.12 -0.81 0.00 0.00 175.30 174.90 1ajw s PHE 181 N 1.06 2.96 0.15 5.12 5.36 0.26 -3.11 117.98 129.78 1ajw s PHE 181 Ca 0.11 1.09 -0.15 0.00 -0.96 0.00 0.00 56.93 57.02 1ajw s PHE 181 Cb -0.19 -3.47 0.02 0.00 -0.34 0.00 0.00 43.02 39.05 1ajw s PHE 181 CO -0.12 -1.54 0.40 0.95 -1.46 0.00 0.00 175.22 173.45 1ajw s THR 182 N 3.15 0.06 0.00 0.12 -4.23 -0.96 -1.31 115.64 112.47 1ajw s THR 182 Ca 0.54 -0.83 0.00 0.00 -1.18 0.00 0.00 61.69 60.23 1ajw s THR 182 Cb -0.22 -1.42 0.00 0.00 1.34 0.00 0.00 72.50 72.20 1ajw s THR 182 CO 0.16 -0.28 0.00 -0.90 -0.54 0.00 0.00 174.62 173.06 1ajw n ASP 183 N -0.24 0.00 0.33 3.99 5.68 -1.25 0.00 116.55 125.07 1ajw n ASP 183 Ca -0.13 -0.23 -0.18 0.00 -0.50 0.00 0.00 54.79 53.75 1ajw n ASP 183 Cb 0.63 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.52 1ajw n ASP 183 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 1ajw h ASP 184 N 0.00 -1.12 0.00 -1.12 1.82 0.51 -3.42 116.42 113.09 1ajw h ASP 184 Ca 0.00 0.08 -0.03 0.00 -0.39 0.00 0.00 57.03 56.69 1ajw h ASP 184 Cb 0.00 0.35 -0.03 0.00 0.68 0.00 0.00 39.33 40.33 1ajw h ASP 184 CO 0.00 -0.63 -0.07 0.47 -1.61 0.00 0.00 179.24 177.40 1ajw n ASP 185 N -5.55 -0.23 0.11 2.28 9.92 -1.26 -4.98 116.55 116.84 1ajw n ASP 185 Ca -0.13 -0.70 -0.20 0.00 -0.53 0.00 0.00 54.79 53.23 1ajw n ASP 185 Cb 0.44 0.07 -0.15 0.00 -0.64 0.00 0.00 41.12 40.84 1ajw n ASP 185 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1ajw h ARG 186 N 0.00 0.39 0.00 -1.24 1.12 -1.97 -3.49 114.38 109.18 1ajw h ARG 186 Ca -0.13 -0.66 0.00 0.00 -1.11 0.00 0.00 59.98 58.08 1ajw h ARG 186 Cb 0.69 0.25 0.00 0.00 -0.01 0.00 0.00 29.97 30.90 1ajw h ARG 186 CO -0.07 1.30 0.00 -2.37 -3.11 0.00 0.00 179.97 175.72 1ajw n THR 187 N -3.59 0.00 -3.97 0.20 5.66 -1.26 -5.10 114.28 106.22 1ajw n THR 187 Ca -0.16 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.50 1ajw n THR 187 Cb 1.07 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.70 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 0.08 4.29 0.02 1.09 -1.08 -1.26 -3.76 116.67 116.05 1ajw s ASP 188 Ca 0.00 -0.88 -0.29 0.00 -0.52 0.00 0.00 52.55 50.86 1ajw s ASP 188 Cb 0.00 -1.66 -0.16 0.00 -1.46 0.00 0.00 42.92 39.64 1ajw s ASP 188 CO 0.00 -0.12 1.22 0.45 0.52 0.00 0.00 175.17 177.23 1ajw h HIS 189 N 8.00 -0.98 -2.26 -5.34 3.86 -1.55 -3.49 115.15 113.40 1ajw h HIS 189 Ca -0.33 -0.02 0.19 0.00 -1.16 0.00 0.00 60.37 59.05 1ajw h HIS 189 Cb 1.11 0.32 -0.08 0.00 1.06 0.00 0.00 27.41 29.82 1ajw h HIS 189 CO 0.58 -0.61 0.53 -1.17 0.86 0.00 0.00 177.93 178.11 1ajw s LEU 190 N -9.67 -0.15 -0.29 2.43 2.96 -0.43 -4.78 118.68 108.75 1ajw s LEU 190 Ca -0.15 -0.40 -0.14 0.00 -0.22 0.00 0.00 54.13 53.22 1ajw s LEU 190 Cb 0.02 2.08 0.12 0.00 0.50 0.00 0.00 46.19 48.91 1ajw s LEU 190 CO 0.47 -0.85 0.79 -0.55 -1.32 0.00 0.00 176.35 174.89 1ajw s SER 191 N -2.98 -0.84 0.00 3.68 0.15 -1.26 0.91 113.70 113.36 1ajw s SER 191 Ca 0.13 1.25 0.00 0.00 0.70 0.00 0.00 55.95 58.03 1ajw s SER 191 Cb -0.01 1.67 0.00 0.00 -1.71 0.00 0.00 66.02 65.97 1ajw s SER 191 CO 0.02 -0.19 0.00 -2.67 1.20 0.00 0.00 173.24 171.60 1ajw n TRP 192 N 4.63 0.00 -3.64 3.44 2.14 -0.46 -4.99 117.44 118.57 1ajw n TRP 192 Ca -0.15 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.35 1ajw n TRP 192 Cb 0.55 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 30.98 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 1.67 0.53 0.02 -2.67 -1.05 -1.26 -2.61 118.70 113.33 1ajw s GLU 193 Ca 0.00 0.79 0.01 0.00 -0.15 0.00 0.00 54.97 55.61 1ajw s GLU 193 Cb 0.00 0.18 -0.02 0.00 -0.44 0.00 0.00 34.13 33.85 1ajw s GLU 193 CO 0.00 -0.09 -0.04 1.67 0.95 0.00 0.00 175.26 177.75 1ajw s TRP 194 N 0.94 0.36 -0.02 4.83 1.48 -0.60 -3.80 118.94 122.13 1ajw s TRP 194 Ca -0.04 -0.37 -0.11 0.00 -1.06 0.00 0.00 56.10 54.52 1ajw s TRP 194 Cb -0.04 -0.23 -0.05 0.00 -1.16 0.00 0.00 33.47 31.98 1ajw s TRP 194 CO -0.11 -0.10 0.32 -0.80 -4.06 0.00 0.00 176.95 172.19 1ajw s ASN 195 N -1.06 6.64 -0.36 -2.66 0.01 -1.26 0.22 114.94 116.47 1ajw s ASN 195 Ca -0.09 0.76 -0.07 0.00 -0.71 0.00 0.00 52.86 52.75 1ajw s ASN 195 Cb -0.07 -2.17 0.05 0.00 0.41 0.00 0.00 41.25 39.46 1ajw s ASN 195 CO -0.00 0.32 0.14 -0.22 -1.51 0.00 0.00 177.10 175.82 1ajw s LEU 196 N -1.27 4.51 -0.22 0.60 2.96 0.96 -2.38 118.68 123.84 1ajw s LEU 196 Ca 0.23 -1.22 -0.21 0.00 -0.22 0.00 0.00 54.13 52.71 1ajw s LEU 196 Cb -0.15 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 1ajw s LEU 196 CO 0.12 -0.37 0.67 -0.89 -1.32 0.00 0.00 176.35 174.56 1ajw s THR 197 N 1.41 4.98 0.29 3.68 2.01 0.19 -0.63 115.64 127.56 1ajw s THR 197 Ca -0.00 1.25 -0.02 0.00 0.31 0.00 0.00 61.69 63.23 1ajw s THR 197 Cb -0.20 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 1ajw s THR 197 CO 0.03 0.06 0.51 -0.63 -0.69 0.00 0.00 174.62 173.90 1ajw s ILE 198 N 2.20 5.10 0.00 1.82 -1.09 0.59 0.11 121.20 129.93 1ajw s ILE 198 Ca 0.29 -0.26 0.00 0.00 -2.23 0.00 0.00 60.65 58.45 1ajw s ILE 198 Cb -0.16 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 1ajw s ILE 198 CO 0.10 -0.38 0.00 0.29 -1.23 0.00 0.00 174.94 173.72 1ajw n LYS 199 N -1.20 0.31 -0.03 2.79 5.02 0.27 -3.19 118.16 122.14 1ajw n LYS 199 Ca -0.04 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.26 1ajw n LYS 199 Cb 0.55 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.46 1ajw n LYS 199 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ajw n LYS 200 N 0.00 1.10 -2.76 1.97 4.81 -1.26 -1.41 118.16 120.61 1ajw n LYS 200 Ca 0.00 -0.07 -0.05 0.00 -0.87 0.00 0.00 58.31 57.32 1ajw n LYS 200 Cb 0.00 -1.32 0.02 0.00 0.02 0.00 0.00 35.03 33.75 1ajw n LYS 200 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1ajw n GLU 201 N -2.18 0.60 0.00 1.64 1.02 -1.26 -4.67 120.64 115.79 1ajw n GLU 201 Ca -0.10 -1.96 0.08 0.00 -0.02 0.00 0.00 57.16 55.16 1ajw n GLU 201 Cb 0.60 -1.47 0.38 0.00 -0.02 0.00 0.00 31.44 30.92 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 2.60 0.00 -2.71 -0.32 4.27 -1.26 -3.77 117.44 116.25 1ajw n TRP 202 Ca 0.16 0.00 -0.08 0.00 -3.89 0.00 0.00 57.50 53.69 1ajw n TRP 202 Cb 0.58 -0.35 0.09 0.00 -1.36 0.00 0.00 31.31 30.27 1ajw n TRP 202 CO 0.00 0.00 0.00 1.17 -2.29 0.00 0.00 177.69 176.57 1ajw n LYS 203 N -1.35 1.16 0.00 -2.67 3.00 -1.26 -4.80 118.16 112.24 1ajw n LYS 203 Ca 0.06 -2.17 0.01 0.00 -0.00 0.00 0.00 58.31 56.21 1ajw n LYS 203 Cb 0.14 -0.45 0.09 0.00 0.00 0.00 0.00 35.03 34.81 1ajw n LYS 203 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00