#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 0.26 -2.93 0.00 3.14 -1.26 -5.08 118.33 112.46 1ajw n VAL 61 Ca 0.00 -0.23 -0.05 0.00 -2.96 0.00 0.00 64.34 61.10 1ajw n VAL 61 Cb 0.00 -0.36 0.01 0.00 -1.06 0.00 0.00 33.84 32.42 1ajw n VAL 61 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1ajw n SER 62 N -2.04 -7.44 -1.22 6.55 7.64 -1.26 -5.03 113.62 110.83 1ajw n SER 62 Ca -0.07 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.69 1ajw n SER 62 Cb 0.50 -4.09 0.00 0.00 -1.01 0.00 0.00 64.21 59.61 1ajw n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ajw n ALA 63 N 0.59 0.00 -3.21 -0.43 0.00 -1.26 -4.83 120.51 111.37 1ajw n ALA 63 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.30 1ajw n ALA 63 Cb 0.27 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.73 1ajw n ALA 63 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ajw n ASP 64 N -0.18 -6.87 -0.01 0.00 -0.08 -1.26 -4.91 116.55 103.24 1ajw n ASP 64 Ca 0.00 -0.03 -0.14 0.00 -1.51 0.00 0.00 54.79 53.11 1ajw n ASP 64 Cb 0.00 -3.95 -0.03 0.00 2.34 0.00 0.00 41.12 39.48 1ajw n ASP 64 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1ajw h PRO 65 N 1.22 0.69 -2.68 -0.67 0.13 -2.02 -3.49 132.00 125.17 1ajw h PRO 65 Ca -0.23 -0.53 0.29 0.00 -0.87 0.00 0.00 66.00 64.66 1ajw h PRO 65 Cb 1.16 0.10 -0.10 0.00 0.13 0.00 0.00 31.00 32.29 1ajw h PRO 65 CO 0.26 1.15 -0.58 -1.71 -0.23 0.00 0.00 178.00 176.89 1ajw n ASN 66 N -3.92 -6.64 -3.76 1.44 2.85 -1.26 -4.98 115.26 98.99 1ajw n ASN 66 Ca -0.06 0.65 -0.12 0.00 -0.11 0.00 0.00 54.58 54.94 1ajw n ASN 66 Cb 0.71 -3.76 -0.08 0.00 1.24 0.00 0.00 39.78 37.88 1ajw n ASN 66 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1ajw s VAL 67 N -2.69 0.07 0.91 3.44 -7.23 -1.26 -5.16 120.40 108.47 1ajw s VAL 67 Ca 0.00 -0.57 -0.12 0.00 -1.81 0.00 0.00 61.98 59.48 1ajw s VAL 67 Cb 0.00 -0.77 0.14 0.00 0.56 0.00 0.00 36.38 36.31 1ajw s VAL 67 CO 0.00 -0.31 1.12 -2.16 -0.31 0.00 0.00 175.10 173.43 1ajw s PRO 68 N -1.90 1.15 0.00 4.82 0.04 -1.26 -4.89 135.00 132.95 1ajw s PRO 68 Ca -0.10 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1ajw s PRO 68 Cb -0.03 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1ajw s PRO 68 CO 0.01 -2.23 0.00 -1.71 0.04 0.00 0.00 177.00 173.11 1ajw n ASN 69 N -3.81 0.00 -3.79 6.66 4.05 -1.26 -4.07 115.26 113.04 1ajw n ASN 69 Ca 0.06 0.08 -0.24 0.00 0.45 0.00 0.00 54.58 54.94 1ajw n ASN 69 Cb 0.58 -0.10 -0.17 0.00 1.23 0.00 0.00 39.78 41.31 1ajw n ASN 69 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1ajw s VAL 70 N -0.21 0.51 -0.04 3.44 1.01 -1.25 -3.27 120.40 120.60 1ajw s VAL 70 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.94 1ajw s VAL 70 Cb 0.00 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.73 1ajw s VAL 70 CO 0.00 0.24 0.10 -0.69 0.00 0.00 0.00 175.10 174.75 1ajw s VAL 71 N 1.91 -0.02 -0.40 2.92 1.01 -1.24 -4.65 120.40 119.94 1ajw s VAL 71 Ca 0.05 0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.82 1ajw s VAL 71 Cb -0.13 -0.15 -0.06 0.00 0.00 0.00 0.00 36.38 36.04 1ajw s VAL 71 CO -0.06 0.03 2.28 -0.69 0.00 0.00 0.00 175.10 176.65 1ajw s VAL 72 N 0.41 3.06 -0.05 2.92 1.01 -1.26 -3.15 120.40 123.33 1ajw s VAL 72 Ca -0.03 0.05 -0.18 0.00 0.00 0.00 0.00 61.98 61.82 1ajw s VAL 72 Cb -0.04 -3.11 -0.13 0.00 0.00 0.00 0.00 36.38 33.10 1ajw s VAL 72 CO -0.02 -0.09 0.72 0.71 0.00 0.00 0.00 175.10 176.42 1ajw h THR 73 N 7.41 0.56 -4.38 3.92 1.35 -1.11 -3.39 112.91 117.27 1ajw h THR 73 Ca -0.30 -1.00 -0.19 0.00 -0.55 0.00 0.00 66.41 64.36 1ajw h THR 73 Cb 1.25 0.95 -0.14 0.00 -1.73 0.00 0.00 68.15 68.47 1ajw h THR 73 CO 1.09 0.15 -0.54 -0.13 -0.25 0.00 0.00 175.52 175.83 1ajw s ARG 74 N -3.19 1.16 -0.08 4.72 0.52 -1.18 -0.52 118.95 120.37 1ajw s ARG 74 Ca -0.10 -1.50 0.01 0.00 -0.52 0.00 0.00 55.73 53.61 1ajw s ARG 74 Cb 0.00 0.29 0.02 0.00 0.52 0.00 0.00 34.95 35.79 1ajw s ARG 74 CO 0.37 -0.39 -0.08 -1.17 0.02 0.00 0.00 175.30 174.06 1ajw s LEU 75 N -3.10 1.29 0.20 2.53 0.20 -0.68 -2.27 118.68 116.85 1ajw s LEU 75 Ca 0.31 -0.25 0.08 0.00 0.69 0.00 0.00 54.13 54.96 1ajw s LEU 75 Cb 0.06 -0.73 -0.04 0.00 -0.43 0.00 0.00 46.19 45.05 1ajw s LEU 75 CO 0.08 -0.07 0.03 -0.89 -0.29 0.00 0.00 176.35 175.21 1ajw s THR 76 N 1.29 3.79 -0.40 3.68 2.01 -0.38 0.18 115.64 125.82 1ajw s THR 76 Ca -0.04 -1.49 0.03 0.00 0.31 0.00 0.00 61.69 60.50 1ajw s THR 76 Cb -0.14 -2.95 0.16 0.00 0.01 0.00 0.00 72.50 69.59 1ajw s THR 76 CO -0.03 -0.18 0.31 -0.76 -0.69 0.00 0.00 174.62 173.27 1ajw s LEU 77 N -3.18 1.37 0.45 4.42 1.43 -1.02 -1.70 118.68 120.44 1ajw s LEU 77 Ca 0.29 -2.89 -0.25 0.00 -1.03 0.00 0.00 54.13 50.25 1ajw s LEU 77 Cb -0.09 -0.45 -0.08 0.00 0.03 0.00 0.00 46.19 45.61 1ajw s LEU 77 CO 0.20 -0.20 1.31 -0.69 0.23 0.00 0.00 176.35 177.20 1ajw s VAL 78 N 0.25 2.49 0.00 -1.59 1.01 -1.03 -3.25 120.40 118.29 1ajw s VAL 78 Ca 0.30 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.69 1ajw s VAL 78 Cb -0.02 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1ajw s VAL 78 CO -0.15 0.04 0.00 0.00 0.00 0.00 0.00 175.10 174.99 1ajw n SER 80 N -1.03 0.00 -1.79 0.00 3.41 -1.26 -4.79 113.62 108.15 1ajw n SER 80 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.54 1ajw n SER 80 Cb 0.00 -0.08 0.24 0.00 -0.26 0.00 0.00 64.21 64.11 1ajw n SER 80 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ajw n THR 81 N -2.16 2.48 -2.39 6.66 -2.24 -1.26 -4.94 114.28 110.42 1ajw n THR 81 Ca 0.00 -1.32 -0.18 0.00 -2.27 0.00 0.00 64.05 60.28 1ajw n THR 81 Cb 0.00 -0.45 0.10 0.00 -2.10 0.00 0.00 70.33 67.88 1ajw n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ajw n ALA 82 N -0.14 -0.05 0.21 6.98 0.00 -1.26 -4.65 120.51 121.59 1ajw n ALA 82 Ca 0.35 -1.46 0.09 0.00 0.00 0.00 0.00 53.44 52.42 1ajw n ALA 82 Cb 1.22 0.20 0.35 0.00 0.00 0.00 0.00 19.45 21.22 1ajw n ALA 82 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ajw h PRO 83 N 0.00 0.00 0.00 0.00 0.13 -1.93 -3.49 132.00 126.71 1ajw h PRO 83 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1ajw h PRO 83 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1ajw h PRO 83 CO 0.26 0.25 0.00 0.41 -0.23 0.00 0.00 178.00 178.69 1ajw n GLY 84 N 0.46 -0.73 3.57 1.56 0.00 -1.26 -5.05 105.19 103.74 1ajw n GLY 84 Ca 0.01 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.75 3.06 -0.17 1.61 0.04 -1.26 -4.63 135.00 131.90 1ajw s PRO 85 Ca 0.00 0.84 -0.29 0.00 0.04 0.00 0.00 61.00 61.60 1ajw s PRO 85 Cb 0.00 -4.25 -0.05 0.00 0.04 0.00 0.00 34.50 30.25 1ajw s PRO 85 CO 0.00 -2.21 1.87 -0.51 0.04 0.00 0.00 177.00 176.19 1ajw s LEU 86 N 7.49 3.87 0.18 -3.56 1.43 -1.20 -4.52 118.68 122.37 1ajw s LEU 86 Ca 0.67 1.91 -0.13 0.00 -1.03 0.00 0.00 54.13 55.55 1ajw s LEU 86 Cb -0.15 -3.53 -0.07 0.00 0.03 0.00 0.00 46.19 42.47 1ajw s LEU 86 CO 0.26 -1.43 0.56 -1.61 0.23 0.00 0.00 176.35 174.36 1ajw s GLU 87 N 5.14 3.93 0.03 1.70 2.02 -1.25 -2.44 118.70 127.83 1ajw s GLU 87 Ca 0.84 0.44 0.06 0.00 0.02 0.00 0.00 54.97 56.32 1ajw s GLU 87 Cb -0.31 -2.83 -0.02 0.00 0.10 0.00 0.00 34.13 31.07 1ajw s GLU 87 CO 0.34 0.42 -0.16 -1.17 0.02 0.00 0.00 175.26 174.70 1ajw s LEU 88 N -2.25 2.14 -0.18 1.80 0.20 0.13 -4.88 118.68 115.63 1ajw s LEU 88 Ca 0.41 -0.43 -0.16 0.00 0.69 0.00 0.00 54.13 54.64 1ajw s LEU 88 Cb -0.14 -0.75 -0.04 0.00 -0.43 0.00 0.00 46.19 44.83 1ajw s LEU 88 CO 0.20 0.11 0.38 -0.62 -0.29 0.00 0.00 176.35 176.12 1ajw s ASP 89 N -0.97 6.47 -0.39 3.68 2.15 -1.26 -1.69 116.67 124.66 1ajw s ASP 89 Ca 0.04 0.56 0.12 0.00 0.43 0.00 0.00 52.55 53.70 1ajw s ASP 89 Cb -0.08 -2.23 0.40 0.00 -0.30 0.00 0.00 42.92 40.71 1ajw s ASP 89 CO 0.01 -0.01 0.88 0.18 -0.17 0.00 0.00 175.17 176.05 1ajw n LEU 90 N 4.10 1.94 0.00 -1.34 4.77 0.32 -4.88 117.00 121.90 1ajw n LEU 90 Ca -0.09 -4.65 0.00 0.00 -0.03 0.00 0.00 56.01 51.24 1ajw n LEU 90 Cb 0.51 0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 1ajw n LEU 90 CO 0.40 2.03 0.00 0.35 -1.33 0.00 0.00 177.39 178.84 1ajw n THR 91 N 0.01 0.00 0.00 -5.08 -2.24 -1.26 -4.15 114.28 101.56 1ajw n THR 91 Ca 0.22 0.24 0.00 0.00 -2.27 0.00 0.00 64.05 62.24 1ajw n THR 91 Cb 0.68 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 1ajw n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ajw n GLY 92 N 2.30 0.12 3.56 3.38 0.00 -1.26 -4.92 105.19 108.37 1ajw n GLY 92 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.18 4.13 -0.11 1.61 1.11 -1.26 -4.71 116.67 115.27 1ajw s ASP 93 Ca 0.00 0.46 0.08 0.00 0.18 0.00 0.00 52.55 53.27 1ajw s ASP 93 Cb 0.00 -2.53 -0.24 0.00 1.07 0.00 0.00 42.92 41.22 1ajw s ASP 93 CO 0.00 -3.45 0.41 0.18 1.18 0.00 0.00 175.17 173.49 1ajw n LEU 94 N 17.46 1.36 0.32 1.23 4.77 -1.26 -4.06 117.00 136.81 1ajw n LEU 94 Ca 0.42 0.24 0.19 0.00 -0.03 0.00 0.00 56.01 56.83 1ajw n LEU 94 Cb 0.48 -0.19 1.01 0.00 -2.33 0.00 0.00 43.42 42.38 1ajw n LEU 94 CO 0.61 0.57 1.12 -0.33 -1.33 0.00 0.00 177.39 178.04 1ajw h GLU 95 N 0.02 0.00 -0.38 3.23 5.08 -1.95 -2.47 114.58 118.11 1ajw h GLU 95 Ca -0.39 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.08 1ajw h GLU 95 Cb 2.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.29 1ajw h GLU 95 CO 0.06 0.00 0.51 0.77 -1.00 0.00 0.00 179.01 179.34 1ajw h SER 96 N 0.00 0.00 0.19 1.42 0.02 -1.96 0.20 113.55 113.42 1ajw h SER 96 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ajw h SER 96 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1ajw h SER 96 CO 0.00 0.00 0.00 -0.26 -1.14 0.00 0.00 176.83 175.43 1ajw h PHE 97 N 0.00 0.00 0.00 3.45 0.04 -1.70 -1.66 116.94 117.07 1ajw h PHE 97 Ca 0.18 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.87 1ajw h PHE 97 Cb 1.19 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.33 1ajw h PHE 97 CO 0.00 0.00 -0.39 0.87 -0.60 0.00 0.00 178.31 178.19 1ajw h LYS 98 N 0.00 0.00 0.00 1.51 1.79 -0.85 -3.14 116.57 115.88 1ajw h LYS 98 Ca 0.00 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 1ajw h LYS 98 Cb 0.10 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 1ajw h LYS 98 CO 0.00 0.39 -1.11 0.87 -1.08 0.00 0.00 179.45 178.52 1ajw h LYS 99 N 0.00 0.00 -4.81 3.15 1.57 -1.47 -3.47 116.57 111.54 1ajw h LYS 99 Ca -0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 1ajw h LYS 99 Cb 0.94 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.05 1ajw h LYS 99 CO 0.05 0.34 -0.74 1.14 -0.57 0.00 0.00 179.45 179.67 1ajw s GLN 100 N -2.96 0.66 0.01 3.15 -2.07 -1.19 -5.16 119.66 112.11 1ajw s GLN 100 Ca -0.01 -0.90 0.00 0.00 -1.82 0.00 0.00 55.36 52.63 1ajw s GLN 100 Cb 0.08 -0.44 -0.00 0.00 -1.09 0.00 0.00 33.01 31.56 1ajw s GLN 100 CO 0.79 0.08 0.00 -1.13 -1.32 0.00 0.00 175.29 173.71 1ajw n SER 101 N 1.18 1.65 -4.10 12.60 3.41 -1.26 -4.61 113.62 122.49 1ajw n SER 101 Ca -0.21 -1.06 -0.34 0.00 -0.26 0.00 0.00 58.87 57.00 1ajw n SER 101 Cb 0.55 0.02 -0.13 0.00 -0.26 0.00 0.00 64.21 64.39 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 -1.24 3.57 0.57 7.33 0.40 0.61 -4.89 117.98 124.32 1ajw s PHE 102 Ca 0.00 -2.47 -0.21 0.00 -0.60 0.00 0.00 56.93 53.65 1ajw s PHE 102 Cb 0.00 -2.91 -0.04 0.00 0.51 0.00 0.00 43.02 40.58 1ajw s PHE 102 CO 0.00 -0.93 1.32 0.08 0.70 0.00 0.00 175.22 176.39 1ajw s VAL 103 N 1.10 2.16 -0.09 -0.44 1.01 -1.26 -1.58 120.40 121.30 1ajw s VAL 103 Ca 0.06 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 1ajw s VAL 103 Cb -0.21 -3.05 0.07 0.00 0.00 0.00 0.00 36.38 33.18 1ajw s VAL 103 CO -0.05 -0.01 0.66 -0.22 0.00 0.00 0.00 175.10 175.49 1ajw s LEU 104 N -3.71 -0.58 0.52 3.92 0.20 0.12 -4.86 118.68 114.28 1ajw s LEU 104 Ca 0.74 0.81 -0.10 0.00 0.69 0.00 0.00 54.13 56.27 1ajw s LEU 104 Cb -0.38 2.45 -0.05 0.00 -0.43 0.00 0.00 46.19 47.77 1ajw s LEU 104 CO 0.44 -0.53 0.90 -0.75 -0.29 0.00 0.00 176.35 176.11 1ajw s LYS 105 N -0.91 3.66 -0.62 1.98 2.20 -1.26 0.10 119.74 124.89 1ajw s LYS 105 Ca -0.09 0.54 -0.41 0.00 -0.36 0.00 0.00 55.97 55.66 1ajw s LYS 105 Cb -0.01 -2.24 -0.20 0.00 -1.51 0.00 0.00 37.83 33.87 1ajw s LYS 105 CO 0.08 -0.31 2.27 0.39 -0.36 0.00 0.00 175.35 177.42 1ajw n GLU 106 N -2.16 0.00 -3.39 4.03 1.02 -0.68 -3.13 120.64 116.33 1ajw n GLU 106 Ca 0.04 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.00 1ajw n GLU 106 Cb 0.54 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 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 -0.77 3.94 0.62 0.00 -1.06 -4.76 105.19 110.39 1ajw n GLY 107 Ca 0.58 0.35 -0.24 0.00 0.00 0.00 0.00 46.02 46.70 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 -2.81 3.05 -0.69 1.61 -7.23 -1.18 -4.18 120.40 108.97 1ajw s VAL 108 Ca 0.04 -0.32 -0.21 0.00 -1.81 0.00 0.00 61.98 59.69 1ajw s VAL 108 Cb -0.02 -3.21 0.09 0.00 0.56 0.00 0.00 36.38 33.80 1ajw s VAL 108 CO 0.56 -0.19 0.92 -0.70 -0.31 0.00 0.00 175.10 175.37 1ajw s GLU 109 N -4.95 3.19 -0.04 4.82 2.56 -1.26 -2.70 118.70 120.32 1ajw s GLU 109 Ca 0.56 -1.17 0.03 0.00 0.00 0.00 0.00 54.97 54.39 1ajw s GLU 109 Cb -0.10 -4.37 0.00 0.00 2.00 0.00 0.00 34.13 31.65 1ajw s GLU 109 CO 0.42 -1.73 -0.14 1.52 -0.56 0.00 0.00 175.26 174.78 1ajw s TYR 110 N 3.36 1.43 0.58 5.30 1.13 -1.18 -4.51 117.35 123.45 1ajw s TYR 110 Ca 0.21 -0.43 -0.03 0.00 -1.41 0.00 0.00 57.07 55.42 1ajw s TYR 110 Cb -0.16 -1.00 0.03 0.00 -1.10 0.00 0.00 41.96 39.73 1ajw s TYR 110 CO 0.05 -0.17 0.85 1.03 -2.51 0.00 0.00 175.55 174.80 1ajw s ARG 111 N 0.22 2.66 -0.03 -3.49 0.52 -0.98 -3.71 118.95 114.14 1ajw s ARG 111 Ca -0.06 -0.39 0.05 0.00 -0.52 0.00 0.00 55.73 54.81 1ajw s ARG 111 Cb -0.12 -2.37 -0.01 0.00 0.52 0.00 0.00 34.95 32.98 1ajw s ARG 111 CO 0.02 -0.75 -0.19 0.42 0.02 0.00 0.00 175.30 174.82 1ajw s ILE 112 N -2.90 1.50 -0.30 1.52 1.01 -1.21 -2.46 121.20 118.36 1ajw s ILE 112 Ca 0.55 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 60.41 1ajw s ILE 112 Cb -0.10 -1.26 0.05 0.00 0.01 0.00 0.00 42.46 41.16 1ajw s ILE 112 CO 0.42 0.43 -0.01 -0.75 0.00 0.00 0.00 174.94 175.02 1ajw s LYS 113 N -0.24 2.36 -0.19 2.79 2.20 -0.69 0.11 119.74 126.08 1ajw s LYS 113 Ca 0.02 -1.32 -0.17 0.00 -0.36 0.00 0.00 55.97 54.15 1ajw s LYS 113 Cb -0.09 -3.15 -0.04 0.00 -1.51 0.00 0.00 37.83 33.04 1ajw s LYS 113 CO 0.01 -0.64 0.44 0.42 -0.36 0.00 0.00 175.35 175.22 1ajw s ILE 114 N 1.21 5.18 0.07 5.43 -1.09 -1.06 -1.24 121.20 129.70 1ajw s ILE 114 Ca -0.05 0.80 0.04 0.00 -2.23 0.00 0.00 60.65 59.21 1ajw s ILE 114 Cb -0.20 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 36.88 1ajw s ILE 114 CO -0.02 0.25 -0.00 -0.94 -1.23 0.00 0.00 174.94 173.00 1ajw s SER 115 N 0.97 5.04 -0.17 3.58 1.04 -0.96 -0.24 113.70 122.97 1ajw s SER 115 Ca 0.21 -0.13 -0.29 0.00 0.48 0.00 0.00 55.95 56.22 1ajw s SER 115 Cb -0.15 -1.23 0.10 0.00 0.10 0.00 0.00 66.02 64.84 1ajw s SER 115 CO 0.08 0.20 0.87 0.72 0.98 0.00 0.00 173.24 176.10 1ajw s PHE 116 N -1.25 -0.54 -0.12 5.02 -0.12 -1.20 -0.77 117.98 119.00 1ajw s PHE 116 Ca 0.24 1.08 -0.28 0.00 -0.05 0.00 0.00 56.93 57.92 1ajw s PHE 116 Cb -0.12 0.39 -0.01 0.00 -0.63 0.00 0.00 43.02 42.65 1ajw s PHE 116 CO 0.16 -0.40 0.95 1.03 -0.05 0.00 0.00 175.22 176.91 1ajw s ARG 117 N -0.62 4.39 -0.58 1.99 0.52 -1.19 -1.42 118.95 122.04 1ajw s ARG 117 Ca -0.03 1.27 0.04 0.00 -0.52 0.00 0.00 55.73 56.49 1ajw s ARG 117 Cb -0.02 -3.54 0.16 0.00 0.52 0.00 0.00 34.95 32.07 1ajw s ARG 117 CO 0.02 -0.30 0.39 0.08 0.02 0.00 0.00 175.30 175.52 1ajw s VAL 118 N 1.97 2.01 -0.37 3.52 1.01 -1.20 -3.59 120.40 123.76 1ajw s VAL 118 Ca 0.45 -3.53 0.12 0.00 0.00 0.00 0.00 61.98 59.02 1ajw s VAL 118 Cb -0.18 -2.35 0.44 0.00 0.00 0.00 0.00 36.38 34.30 1ajw s VAL 118 CO 0.17 -1.02 1.05 0.59 0.00 0.00 0.00 175.10 175.88 1ajw n ASN 119 N 2.54 3.17 0.06 3.32 3.02 -1.20 -4.10 115.26 122.06 1ajw n ASN 119 Ca 0.19 -3.20 0.00 0.00 -0.03 0.00 0.00 54.58 51.54 1ajw n ASN 119 Cb 0.38 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 1ajw n ASN 119 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1ajw n ARG 120 N -0.33 0.00 -4.20 3.52 3.00 -1.26 -4.87 116.66 112.52 1ajw n ARG 120 Ca 0.25 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.94 1ajw n ARG 120 Cb 0.76 -0.02 -0.07 0.00 0.00 0.00 0.00 32.46 33.12 1ajw n ARG 120 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1ajw s GLU 121 N -1.40 1.63 -0.39 -0.14 0.41 -1.26 -4.91 118.70 112.63 1ajw s GLU 121 Ca 0.00 -1.80 -0.29 0.00 -0.41 0.00 0.00 54.97 52.47 1ajw s GLU 121 Cb 0.00 0.35 0.02 0.00 -1.78 0.00 0.00 34.13 32.72 1ajw s GLU 121 CO 0.00 -0.61 1.13 0.42 -0.49 0.00 0.00 175.26 175.71 1ajw s ILE 122 N -3.58 4.33 -0.91 -1.63 1.01 -1.26 -3.93 121.20 115.22 1ajw s ILE 122 Ca 0.37 1.45 -0.15 0.00 0.00 0.00 0.00 60.65 62.32 1ajw s ILE 122 Cb 0.03 -4.48 0.19 0.00 0.01 0.00 0.00 42.46 38.21 1ajw s ILE 122 CO 0.21 -0.73 0.96 -0.69 0.00 0.00 0.00 174.94 174.69 1ajw s VAL 123 N 4.12 5.31 -1.05 2.92 1.01 0.29 -4.92 120.40 128.08 1ajw s VAL 123 Ca 0.48 -2.26 -0.21 0.00 0.00 0.00 0.00 61.98 59.99 1ajw s VAL 123 Cb -0.10 -4.61 0.08 0.00 0.00 0.00 0.00 36.38 31.74 1ajw s VAL 123 CO 0.24 -1.24 1.41 -0.94 0.00 0.00 0.00 175.10 174.56 1ajw s SER 124 N 2.63 6.61 0.00 3.32 1.04 -1.26 -0.09 113.70 125.95 1ajw s SER 124 Ca 0.26 -1.83 0.00 0.00 0.48 0.00 0.00 55.95 54.86 1ajw s SER 124 Cb -0.08 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1ajw s SER 124 CO -0.09 -1.31 0.00 0.61 0.98 0.00 0.00 173.24 173.44 1ajw n GLY 125 N 6.17 0.05 3.70 7.32 0.00 -1.24 -4.52 105.19 116.68 1ajw n GLY 125 Ca 0.33 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 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 4.49 0.16 1.61 1.75 -0.59 0.11 119.30 126.83 1ajw s MET 126 Ca 0.00 1.31 -0.02 0.00 -1.25 0.00 0.00 55.69 55.73 1ajw s MET 126 Cb 0.00 -3.49 -0.04 0.00 2.84 0.00 0.00 34.83 34.15 1ajw s MET 126 CO 0.00 -0.12 0.10 0.15 -0.65 0.00 0.00 175.02 174.50 1ajw s LYS 127 N 1.30 1.04 -0.07 4.11 1.02 -0.75 -1.05 119.74 125.34 1ajw s LYS 127 Ca 0.48 -1.49 -0.01 0.00 0.02 0.00 0.00 55.97 54.97 1ajw s LYS 127 Cb -0.20 0.26 0.03 0.00 -0.52 0.00 0.00 37.83 37.41 1ajw s LYS 127 CO 0.23 -0.32 0.00 -0.47 -0.92 0.00 0.00 175.35 173.88 1ajw s TYR 128 N -4.08 0.64 -0.12 3.18 5.04 -1.02 -2.66 117.35 118.34 1ajw s TYR 128 Ca 0.29 -0.15 0.02 0.00 -2.44 0.00 0.00 57.07 54.79 1ajw s TYR 128 Cb 0.07 -0.78 -0.01 0.00 0.35 0.00 0.00 41.96 41.59 1ajw s TYR 128 CO 0.05 -0.32 -0.18 0.42 -1.34 0.00 0.00 175.55 174.19 1ajw s ILE 129 N 1.97 2.63 -0.04 3.14 1.09 -1.19 -1.45 121.20 127.36 1ajw s ILE 129 Ca 0.05 -0.81 0.04 0.00 -1.10 0.00 0.00 60.65 58.82 1ajw s ILE 129 Cb -0.12 -2.07 -0.00 0.00 -1.06 0.00 0.00 42.46 39.21 1ajw s ILE 129 CO -0.05 0.54 -0.14 0.00 -0.10 0.00 0.00 174.94 175.19 1ajw s GLN 130 N 0.32 1.49 -0.32 2.79 -2.07 -0.50 0.11 119.66 121.48 1ajw s GLN 130 Ca -0.14 -0.51 -0.10 0.00 -1.82 0.00 0.00 55.36 52.80 1ajw s GLN 130 Cb -0.17 -1.33 -0.00 0.00 -1.09 0.00 0.00 33.01 30.43 1ajw s GLN 130 CO 0.07 0.20 0.16 -1.01 -1.32 0.00 0.00 175.29 173.40 1ajw s HIS 131 N 0.08 3.19 -1.10 9.60 3.76 0.32 -0.27 115.29 130.87 1ajw s HIS 131 Ca -0.03 -0.63 -0.22 0.00 -0.15 0.00 0.00 55.06 54.03 1ajw s HIS 131 Cb -0.10 -2.37 -0.09 0.00 1.11 0.00 0.00 32.58 31.12 1ajw s HIS 131 CO 0.01 -0.49 1.92 2.41 -0.85 0.00 0.00 174.74 177.75 1ajw n THR 132 N 4.99 2.04 -2.81 1.30 -1.04 0.34 -1.31 114.28 117.79 1ajw n THR 132 Ca -0.13 -2.05 -0.38 0.00 -2.04 0.00 0.00 64.05 59.44 1ajw n THR 132 Cb 0.49 -2.22 -0.06 0.00 -1.82 0.00 0.00 70.33 66.71 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 9.12 3.84 0.00 -1.42 1.51 0.10 -2.57 117.35 127.94 1ajw s TYR 133 Ca 0.65 1.80 0.00 0.00 -1.01 0.00 0.00 57.07 58.51 1ajw s TYR 133 Cb 0.03 -2.91 0.00 0.00 -0.11 0.00 0.00 41.96 38.97 1ajw s TYR 133 CO 0.13 0.36 0.00 -2.13 -1.11 0.00 0.00 175.55 172.80 1ajw n ARG 134 N 1.09 3.98 -1.81 -0.62 0.63 -1.18 -2.25 116.66 116.50 1ajw n ARG 134 Ca -0.01 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.72 1ajw n ARG 134 Cb 0.49 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.31 1ajw n ARG 134 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1ajw s LYS 135 N 1.53 1.79 -1.98 -0.14 2.47 -1.26 -3.41 119.74 118.74 1ajw s LYS 135 Ca 0.00 -0.64 0.00 0.00 -1.56 0.00 0.00 55.97 53.77 1ajw s LYS 135 Cb 0.00 -5.07 0.00 0.00 -1.46 0.00 0.00 37.83 31.30 1ajw s LYS 135 CO 0.00 -4.73 0.00 0.41 0.16 0.00 0.00 175.35 171.19 1ajw n GLY 136 N 6.11 1.04 2.79 5.54 0.00 -1.26 -4.92 105.19 114.48 1ajw n GLY 136 Ca 0.43 -0.05 -0.16 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 -2.84 -0.36 0.59 1.61 1.01 -1.22 -5.14 120.40 114.04 1ajw s VAL 137 Ca 0.00 -0.97 -0.19 0.00 0.00 0.00 0.00 61.98 60.82 1ajw s VAL 137 Cb 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1ajw s VAL 137 CO 0.00 -0.56 1.21 -0.75 0.00 0.00 0.00 175.10 175.00 1ajw s LYS 138 N 1.40 3.01 -0.01 2.72 2.36 -1.26 -3.12 119.74 124.83 1ajw s LYS 138 Ca 0.17 1.83 0.00 0.00 -2.55 0.00 0.00 55.97 55.43 1ajw s LYS 138 Cb -0.14 -1.95 -0.01 0.00 -1.05 0.00 0.00 37.83 34.68 1ajw s LYS 138 CO -0.03 -1.18 -0.01 0.44 1.55 0.00 0.00 175.35 176.13 1ajw n ILE 139 N -1.54 0.08 -3.61 5.43 -5.35 -1.06 -4.88 119.36 108.43 1ajw n ILE 139 Ca 0.13 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.58 1ajw n ILE 139 Cb 0.49 -0.65 -0.01 0.00 -1.74 0.00 0.00 39.64 37.73 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 -3.90 -0.07 0.00 7.28 -1.08 -1.25 -5.03 116.67 112.61 1ajw s ASP 140 Ca -0.02 -0.09 0.00 0.00 -0.52 0.00 0.00 52.55 51.92 1ajw s ASP 140 Cb 0.00 0.14 0.00 0.00 -1.46 0.00 0.00 42.92 41.61 1ajw s ASP 140 CO 0.04 -0.26 0.00 0.29 0.52 0.00 0.00 175.17 175.76 1ajw n LYS 141 N -0.38 1.54 -3.64 4.34 4.01 -1.26 0.13 118.16 122.89 1ajw n LYS 141 Ca -0.06 0.00 -0.05 0.00 -0.51 0.00 0.00 58.31 57.69 1ajw n LYS 141 Cb 0.62 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 35.07 1ajw n LYS 141 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1ajw s THR 142 N -1.06 -0.30 -0.08 -0.18 2.01 0.63 -4.86 115.64 111.80 1ajw s THR 142 Ca 0.00 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.02 1ajw s THR 142 Cb 0.00 -0.99 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 1ajw s THR 142 CO 0.00 0.00 -0.13 -1.81 -0.69 0.00 0.00 174.62 172.00 1ajw s ASP 143 N 2.02 4.13 -0.11 3.53 1.11 -1.26 -1.41 116.67 124.69 1ajw s ASP 143 Ca -0.09 -0.21 0.03 0.00 0.18 0.00 0.00 52.55 52.46 1ajw s ASP 143 Cb -0.07 -1.13 0.01 0.00 1.07 0.00 0.00 42.92 42.79 1ajw s ASP 143 CO -0.19 0.29 -0.19 -0.31 1.18 0.00 0.00 175.17 175.95 1ajw s TYR 144 N -0.40 2.21 -0.58 4.23 2.02 -0.53 -4.94 117.35 119.36 1ajw s TYR 144 Ca 0.05 -0.99 -0.27 0.00 -0.37 0.00 0.00 57.07 55.49 1ajw s TYR 144 Cb -0.12 -1.53 0.03 0.00 -0.40 0.00 0.00 41.96 39.94 1ajw s TYR 144 CO 0.02 -0.46 1.15 1.41 -1.57 0.00 0.00 175.55 176.10 1ajw s MET 145 N 0.71 3.48 0.06 -0.62 -2.45 -1.26 -2.42 119.30 116.79 1ajw s MET 145 Ca -0.12 0.15 -0.08 0.00 -1.25 0.00 0.00 55.69 54.40 1ajw s MET 145 Cb -0.16 -4.02 -0.30 0.00 1.25 0.00 0.00 34.83 31.59 1ajw s MET 145 CO 0.02 -1.65 1.10 0.28 1.05 0.00 0.00 175.02 175.82 1ajw h VAL 146 N 6.13 1.44 0.00 10.11 2.07 -1.46 -3.50 116.25 131.05 1ajw h VAL 146 Ca -0.25 -2.96 0.00 0.00 0.82 0.00 0.00 66.70 64.31 1ajw h VAL 146 Cb 1.06 2.97 0.00 0.00 -1.52 0.00 0.00 31.29 33.80 1ajw h VAL 146 CO 1.17 0.87 0.00 0.61 0.02 0.00 0.00 177.57 180.24 1ajw n GLY 147 N 1.58 -0.24 3.74 2.17 0.00 -1.15 -4.96 105.19 106.34 1ajw n GLY 147 Ca -0.11 -2.28 -0.40 0.00 0.00 0.00 0.00 46.02 43.23 1ajw n GLY 147 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ajw s SER 148 N -1.25 7.38 -0.12 1.61 0.15 -1.26 -1.54 113.70 118.67 1ajw s SER 148 Ca 0.00 1.64 0.03 0.00 0.70 0.00 0.00 55.95 58.32 1ajw s SER 148 Cb 0.00 -2.53 -0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1ajw s SER 148 CO 0.00 0.02 -0.21 -0.31 1.20 0.00 0.00 173.24 173.95 1ajw s TYR 149 N -0.27 2.65 0.14 3.44 1.51 0.87 -4.91 117.35 120.79 1ajw s TYR 149 Ca 0.41 -0.99 0.05 0.00 -1.01 0.00 0.00 57.07 55.53 1ajw s TYR 149 Cb -0.22 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 39.82 1ajw s TYR 149 CO 0.27 -0.40 0.06 0.20 -1.11 0.00 0.00 175.55 174.56 1ajw s GLY 150 N 0.44 1.81 -1.09 0.71 0.00 -1.26 0.11 107.32 108.03 1ajw s GLY 150 Ca -0.15 -1.21 -0.22 0.00 0.00 0.00 0.00 44.72 43.14 1ajw s GLY 150 CO 0.06 -1.21 1.80 2.56 0.00 0.00 0.00 173.10 176.32 1ajw s PRO 151 N -2.78 3.02 -0.11 2.90 0.04 -1.25 -4.73 135.00 132.08 1ajw s PRO 151 Ca 0.29 -1.05 -0.08 0.00 0.04 0.00 0.00 61.00 60.20 1ajw s PRO 151 Cb -0.10 -5.27 -0.03 0.00 0.04 0.00 0.00 34.50 29.14 1ajw s PRO 151 CO 0.21 -3.11 -0.15 -2.13 0.04 0.00 0.00 177.00 171.86 1ajw n ARG 152 N 8.60 0.35 -3.57 4.56 3.00 -1.26 -4.93 116.66 123.41 1ajw n ARG 152 Ca 0.42 0.44 -0.01 0.00 -0.00 0.00 0.00 57.85 58.70 1ajw n ARG 152 Cb 0.47 -1.46 -0.06 0.00 0.00 0.00 0.00 32.46 31.42 1ajw n ARG 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ajw s ALA 153 N -2.81 -2.41 0.00 5.13 0.00 -1.26 -5.11 121.76 115.30 1ajw s ALA 153 Ca -0.12 2.16 0.00 0.00 0.00 0.00 0.00 51.96 53.99 1ajw s ALA 153 Cb 0.02 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1ajw s ALA 153 CO 0.18 -0.53 0.00 0.39 0.00 0.00 0.00 175.76 175.80 1ajw n GLU 154 N 4.07 0.00 -2.41 0.00 1.02 -1.26 -4.79 120.64 117.28 1ajw n GLU 154 Ca -0.16 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.74 1ajw n GLU 154 Cb 0.56 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 32.08 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 0.00 1.77 0.25 3.49 4.04 -1.26 -3.28 118.70 123.71 1ajw s GLU 155 Ca 0.00 -0.76 0.00 0.00 0.04 0.00 0.00 54.97 54.25 1ajw s GLU 155 Cb 0.00 -2.24 0.00 0.00 0.02 0.00 0.00 34.13 31.91 1ajw s GLU 155 CO 0.00 -1.43 0.01 0.66 -1.84 0.00 0.00 175.26 172.66 1ajw n TYR 156 N -2.92 0.46 -3.57 4.83 4.01 -0.51 -4.90 117.16 114.55 1ajw n TYR 156 Ca 0.12 -1.20 -0.29 0.00 -0.16 0.00 0.00 57.90 56.37 1ajw n TYR 156 Cb 0.60 -0.17 -0.15 0.00 -0.31 0.00 0.00 39.34 39.32 1ajw n TYR 156 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1ajw s GLU 157 N -2.90 0.26 0.79 -0.72 2.02 -1.26 -3.27 118.70 113.62 1ajw s GLU 157 Ca 0.01 -0.59 -0.11 0.00 0.02 0.00 0.00 54.97 54.30 1ajw s GLU 157 Cb -0.00 -1.30 0.08 0.00 0.10 0.00 0.00 34.13 33.01 1ajw s GLU 157 CO 0.01 -1.00 1.14 0.12 0.02 0.00 0.00 175.26 175.55 1ajw s PHE 158 N 2.03 2.88 -0.27 1.61 5.36 0.67 -4.89 117.98 125.38 1ajw s PHE 158 Ca 0.09 0.65 -0.02 0.00 -0.96 0.00 0.00 56.93 56.69 1ajw s PHE 158 Cb -0.16 -3.45 0.16 0.00 -0.34 0.00 0.00 43.02 39.23 1ajw s PHE 158 CO -0.34 -1.72 0.49 -1.17 -1.46 0.00 0.00 175.22 171.01 1ajw s LEU 159 N -5.51 -1.02 0.41 6.12 1.98 -1.26 -2.55 118.68 116.86 1ajw s LEU 159 Ca 0.62 0.52 -0.23 0.00 -2.89 0.00 0.00 54.13 52.15 1ajw s LEU 159 Cb -0.11 1.64 -0.09 0.00 0.66 0.00 0.00 46.19 48.30 1ajw s LEU 159 CO 0.48 -0.28 1.04 0.42 -1.89 0.00 0.00 176.35 176.12 1ajw s THR 160 N 2.70 3.79 1.07 3.68 -4.23 0.30 -4.90 115.64 118.04 1ajw s THR 160 Ca 0.16 1.31 -0.18 0.00 -1.18 0.00 0.00 61.69 61.80 1ajw s THR 160 Cb -0.15 -3.65 0.27 0.00 1.34 0.00 0.00 72.50 70.31 1ajw s THR 160 CO -0.19 -0.05 0.82 -0.81 -0.54 0.00 0.00 174.62 173.85 1ajw n PRO 161 N -0.24 -3.31 -1.72 3.99 -0.04 -1.26 -3.36 135.00 129.05 1ajw n PRO 161 Ca 0.06 -1.34 -0.39 0.00 -0.04 0.00 0.00 63.50 61.79 1ajw n PRO 161 Cb 0.50 -1.40 0.03 0.00 -0.04 0.00 0.00 33.50 32.59 1ajw n PRO 161 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1ajw n MET 162 N -4.53 1.73 -3.64 0.54 2.81 -1.26 -4.51 117.12 108.26 1ajw n MET 162 Ca 0.12 0.63 -0.01 0.00 -1.81 0.00 0.00 57.70 56.63 1ajw n MET 162 Cb 0.48 -2.48 -0.04 0.00 -0.71 0.00 0.00 33.22 30.47 1ajw n MET 162 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1ajw s GLU 163 N -2.63 0.56 0.39 0.03 -1.05 -1.24 -4.99 118.70 109.77 1ajw s GLU 163 Ca 0.68 1.43 -0.24 0.00 -0.15 0.00 0.00 54.97 56.68 1ajw s GLU 163 Cb -0.45 0.84 -0.09 0.00 -0.44 0.00 0.00 34.13 33.99 1ajw s GLU 163 CO 0.52 -0.21 1.01 -1.83 0.95 0.00 0.00 175.26 175.71 1ajw s GLU 164 N 2.88 4.26 0.63 -4.83 -1.05 -1.26 -3.13 118.70 116.21 1ajw s GLU 164 Ca -0.05 1.42 -0.02 0.00 -0.15 0.00 0.00 54.97 56.17 1ajw s GLU 164 Cb -0.12 -2.55 0.13 0.00 -0.44 0.00 0.00 34.13 31.15 1ajw s GLU 164 CO -0.19 -0.04 0.87 0.00 0.95 0.00 0.00 175.26 176.85 1ajw n ALA 165 N -0.01 -0.03 -2.37 -0.84 0.00 -1.10 -4.91 120.51 111.25 1ajw n ALA 165 Ca 0.05 -1.61 -0.42 0.00 0.00 0.00 0.00 53.44 51.46 1ajw n ALA 165 Cb 0.50 0.22 -0.03 0.00 0.00 0.00 0.00 19.45 20.15 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 -4.76 4.30 0.43 0.00 0.04 -1.26 -3.89 135.00 129.86 1ajw s PRO 166 Ca 0.56 1.76 0.07 0.00 0.04 0.00 0.00 61.00 63.43 1ajw s PRO 166 Cb -0.03 -3.64 -0.05 0.00 0.04 0.00 0.00 34.50 30.83 1ajw s PRO 166 CO 0.38 -0.56 0.14 -1.59 0.04 0.00 0.00 177.00 175.40 1ajw s LYS 167 N 2.68 2.16 0.00 4.56 0.00 -1.26 -2.57 119.74 125.31 1ajw s LYS 167 Ca 0.58 -1.97 0.00 0.00 0.00 0.00 0.00 55.97 54.58 1ajw s LYS 167 Cb -0.26 -1.87 0.00 0.00 0.00 0.00 0.00 37.83 35.70 1ajw s LYS 167 CO 0.21 -0.16 0.00 0.41 0.00 0.00 0.00 175.35 175.82 1ajw n GLY 168 N -1.22 3.11 0.42 0.59 0.00 -1.26 -4.44 105.19 102.39 1ajw n GLY 168 Ca -0.04 -2.01 -0.16 0.00 0.00 0.00 0.00 46.02 43.81 1ajw n GLY 168 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ajw h MET 169 N 0.00 -1.01 0.00 1.61 2.86 -1.99 -2.85 114.93 113.55 1ajw h MET 169 Ca 0.00 0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1ajw h MET 169 Cb 0.00 0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 1ajw h MET 169 CO 0.00 -0.67 -0.08 1.25 1.06 0.00 0.00 176.91 178.47 1ajw h LEU 170 N -1.18 0.00 -2.50 1.22 7.12 -2.02 -1.50 115.31 116.44 1ajw h LEU 170 Ca -0.11 0.00 0.01 0.00 0.13 0.00 0.00 57.88 57.92 1ajw h LEU 170 Cb 0.80 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.93 1ajw h LEU 170 CO 0.18 0.08 0.06 0.00 -0.13 0.00 0.00 178.44 178.63 1ajw h ALA 171 N 1.92 1.47 -2.58 1.25 0.00 -1.72 -3.42 119.26 116.19 1ajw h ALA 171 Ca -0.00 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1ajw h ALA 171 Cb 0.14 0.00 0.04 0.00 0.00 0.00 0.00 17.79 17.98 1ajw h ALA 171 CO 0.01 -0.09 0.91 1.03 0.00 0.00 0.00 179.25 181.11 1ajw s ARG 172 N -4.51 4.21 0.00 0.00 0.52 -0.57 -4.75 118.95 113.85 1ajw s ARG 172 Ca -0.05 2.37 0.00 0.00 -0.52 0.00 0.00 55.73 57.53 1ajw s ARG 172 Cb 0.14 -3.24 0.00 0.00 0.52 0.00 0.00 34.95 32.38 1ajw s ARG 172 CO 0.50 -0.64 0.00 0.41 0.02 0.00 0.00 175.30 175.60 1ajw n GLY 173 N 3.81 -1.43 3.75 -3.53 0.00 -1.19 -4.90 105.19 101.70 1ajw n GLY 173 Ca 0.14 -1.52 -0.39 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.82 7.08 -0.31 1.61 1.04 -1.26 -0.43 113.70 120.60 1ajw s SER 174 Ca 0.00 1.29 0.00 0.00 0.48 0.00 0.00 55.95 57.72 1ajw s SER 174 Cb 0.00 -2.42 0.07 0.00 0.10 0.00 0.00 66.02 63.77 1ajw s SER 174 CO 0.00 0.03 0.01 -0.31 0.98 0.00 0.00 173.24 173.95 1ajw s TYR 175 N 0.02 3.40 -0.11 5.02 1.51 -0.95 -4.80 117.35 121.45 1ajw s TYR 175 Ca 0.35 -2.28 -0.30 0.00 -1.01 0.00 0.00 57.07 53.84 1ajw s TYR 175 Cb -0.19 -2.37 -0.03 0.00 -0.11 0.00 0.00 41.96 39.26 1ajw s TYR 175 CO 0.20 -0.88 1.37 1.21 -1.11 0.00 0.00 175.55 176.34 1ajw s ASN 176 N 1.24 6.88 -0.19 2.29 3.84 -0.95 -0.94 114.94 127.11 1ajw s ASN 176 Ca -0.01 1.88 -0.03 0.00 0.21 0.00 0.00 52.86 54.91 1ajw s ASN 176 Cb -0.20 -2.54 -0.01 0.00 -0.55 0.00 0.00 41.25 37.94 1ajw s ASN 176 CO -0.04 -0.78 -0.06 -0.63 -2.79 0.00 0.00 177.10 172.80 1ajw s ILE 177 N 3.37 3.41 -0.77 -5.21 1.01 -0.55 -0.72 121.20 121.74 1ajw s ILE 177 Ca 0.60 -0.50 -0.22 0.00 0.00 0.00 0.00 60.65 60.53 1ajw s ILE 177 Cb -0.26 -2.51 0.08 0.00 0.01 0.00 0.00 42.46 39.78 1ajw s ILE 177 CO 0.20 0.46 1.08 -0.75 0.00 0.00 0.00 174.94 175.94 1ajw s LYS 178 N 0.99 3.28 -0.03 2.79 2.20 -0.43 -3.15 119.74 125.39 1ajw s LYS 178 Ca -0.00 -1.01 -0.19 0.00 -0.36 0.00 0.00 55.97 54.41 1ajw s LYS 178 Cb -0.15 -4.49 -0.05 0.00 -1.51 0.00 0.00 37.83 31.63 1ajw s LYS 178 CO 0.00 -1.88 0.52 -1.54 -0.36 0.00 0.00 175.35 172.10 1ajw s SER 179 N 3.80 6.87 -0.48 1.43 1.04 -1.02 -0.52 113.70 124.81 1ajw s SER 179 Ca 0.28 1.03 0.04 0.00 0.48 0.00 0.00 55.95 57.78 1ajw s SER 179 Cb -0.11 -2.32 0.16 0.00 0.10 0.00 0.00 66.02 63.85 1ajw s SER 179 CO 0.04 0.13 0.35 -0.60 0.98 0.00 0.00 173.24 174.14 1ajw s ARG 180 N -0.20 1.33 -0.42 4.02 3.52 0.30 -1.70 118.95 125.79 1ajw s ARG 180 Ca 0.28 -2.35 -0.29 0.00 -0.13 0.00 0.00 55.73 53.25 1ajw s ARG 180 Cb -0.17 -2.05 0.02 0.00 -1.56 0.00 0.00 34.95 31.19 1ajw s ARG 180 CO 0.15 -1.32 1.17 0.12 -0.81 0.00 0.00 175.30 174.61 1ajw s PHE 181 N -0.20 2.83 0.00 5.12 2.19 -0.89 -3.16 117.98 123.86 1ajw s PHE 181 Ca 0.27 0.83 0.00 0.00 0.33 0.00 0.00 56.93 58.36 1ajw s PHE 181 Cb -0.05 -4.22 0.00 0.00 -1.31 0.00 0.00 43.02 37.44 1ajw s PHE 181 CO -0.14 -1.28 0.00 -2.37 1.83 0.00 0.00 175.22 173.26 1ajw n THR 182 N 6.61 0.00 -4.25 0.12 5.66 -1.09 -2.45 114.28 118.89 1ajw n THR 182 Ca 0.13 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.99 1ajw n THR 182 Cb 0.48 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.16 1ajw n THR 182 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1ajw s ASP 183 N -0.31 1.39 -0.67 1.09 -4.77 -1.24 -1.80 116.67 110.36 1ajw s ASP 183 Ca 0.00 -1.13 -0.03 0.00 -3.30 0.00 0.00 52.55 48.09 1ajw s ASP 183 Cb 0.00 0.08 0.25 0.00 -1.09 0.00 0.00 42.92 42.16 1ajw s ASP 183 CO 0.00 -0.51 2.29 -0.67 0.70 0.00 0.00 175.17 176.98 1ajw n ASP 184 N -0.23 7.13 0.08 2.11 -0.08 0.30 -4.39 116.55 121.47 1ajw n ASP 184 Ca -0.08 -3.57 0.00 0.00 -1.51 0.00 0.00 54.79 49.63 1ajw n ASP 184 Cb 0.63 -1.12 0.00 0.00 2.34 0.00 0.00 41.12 42.97 1ajw n ASP 184 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1ajw n ASP 185 N -0.04 -0.84 0.00 1.67 9.92 -1.26 -4.79 116.55 121.21 1ajw n ASP 185 Ca 0.52 0.29 0.00 0.00 -0.53 0.00 0.00 54.79 55.07 1ajw n ASP 185 Cb 0.40 0.96 0.00 0.00 -0.64 0.00 0.00 41.12 41.84 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 -2.92 0.00 -0.82 -1.24 5.12 -1.26 -5.14 116.66 110.39 1ajw n ARG 186 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1ajw n ARG 186 Cb 0.00 -0.09 0.00 0.00 -1.16 0.00 0.00 32.46 31.21 1ajw n ARG 186 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 1ajw n THR 187 N -0.84 0.00 -1.66 0.55 5.66 -1.26 -5.05 114.28 111.67 1ajw n THR 187 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 1ajw n THR 187 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 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 0.49 5.34 0.02 1.09 -4.77 -1.26 -3.67 116.67 113.90 1ajw s ASP 188 Ca 0.00 1.64 -0.26 0.00 -3.30 0.00 0.00 52.55 50.63 1ajw s ASP 188 Cb 0.00 -2.51 -0.16 0.00 -1.09 0.00 0.00 42.92 39.16 1ajw s ASP 188 CO 0.00 -2.09 1.24 0.45 0.70 0.00 0.00 175.17 175.46 1ajw h HIS 189 N 15.52 -0.55 -1.59 2.11 3.86 -1.85 -3.48 115.15 129.18 1ajw h HIS 189 Ca -0.37 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 58.89 1ajw h HIS 189 Cb 1.23 0.18 -0.25 0.00 1.06 0.00 0.00 27.41 29.63 1ajw h HIS 189 CO 0.95 -0.23 0.48 -1.17 0.86 0.00 0.00 177.93 178.82 1ajw s LEU 190 N -9.58 -0.42 0.00 2.43 2.96 -1.03 -4.94 118.68 108.10 1ajw s LEU 190 Ca -0.14 0.73 -0.04 0.00 -0.22 0.00 0.00 54.13 54.45 1ajw s LEU 190 Cb 0.02 1.87 -0.00 0.00 0.50 0.00 0.00 46.19 48.58 1ajw s LEU 190 CO 0.52 -0.21 0.07 -0.94 -1.32 0.00 0.00 176.35 174.47 1ajw s SER 191 N -0.16 0.07 0.00 3.68 1.04 -1.26 -2.11 113.70 114.97 1ajw s SER 191 Ca 0.02 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1ajw s SER 191 Cb -0.04 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1ajw s SER 191 CO -0.04 -0.27 0.00 -2.67 0.98 0.00 0.00 173.24 171.24 1ajw n TRP 192 N 1.85 0.00 -3.63 5.02 2.14 -0.69 -4.99 117.44 117.13 1ajw n TRP 192 Ca -0.21 0.00 -0.04 0.00 2.07 0.00 0.00 57.50 59.32 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 -1.83 2.07 0.00 0.00 177.69 177.93 1ajw s GLU 193 N 1.49 0.63 0.04 -2.67 -1.05 -1.26 -2.43 118.70 113.45 1ajw s GLU 193 Ca 0.00 1.26 0.03 0.00 -0.15 0.00 0.00 54.97 56.11 1ajw s GLU 193 Cb 0.00 0.41 -0.02 0.00 -0.44 0.00 0.00 34.13 34.08 1ajw s GLU 193 CO 0.00 -0.16 -0.10 1.67 0.95 0.00 0.00 175.26 177.61 1ajw s TRP 194 N 2.10 0.91 -0.07 4.83 1.48 -1.19 -4.66 118.94 122.33 1ajw s TRP 194 Ca -0.08 -0.40 -0.15 0.00 -1.06 0.00 0.00 56.10 54.41 1ajw s TRP 194 Cb -0.07 -0.53 -0.05 0.00 -1.16 0.00 0.00 33.47 31.65 1ajw s TRP 194 CO -0.19 -0.01 0.39 -0.80 -4.06 0.00 0.00 176.95 172.27 1ajw s ASN 195 N -1.30 6.67 -0.61 -2.66 0.01 -1.26 -1.48 114.94 114.30 1ajw s ASN 195 Ca -0.04 0.79 -0.10 0.00 -0.71 0.00 0.00 52.86 52.80 1ajw s ASN 195 Cb -0.08 -2.23 0.16 0.00 0.41 0.00 0.00 41.25 39.50 1ajw s ASN 195 CO 0.01 0.19 0.50 -0.22 -1.51 0.00 0.00 177.10 176.08 1ajw s LEU 196 N -0.27 5.98 -0.18 0.60 2.96 -0.11 -0.28 118.68 127.38 1ajw s LEU 196 Ca 0.22 -2.29 -0.29 0.00 -0.22 0.00 0.00 54.13 51.55 1ajw s LEU 196 Cb -0.15 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 1ajw s LEU 196 CO 0.10 -0.62 1.43 -0.89 -1.32 0.00 0.00 176.35 175.04 1ajw s THR 197 N 0.80 3.98 0.29 3.68 2.01 -0.62 -2.24 115.64 123.54 1ajw s THR 197 Ca 0.11 1.16 -0.07 0.00 0.31 0.00 0.00 61.69 63.20 1ajw s THR 197 Cb -0.21 -3.85 -0.06 0.00 0.01 0.00 0.00 72.50 68.39 1ajw s THR 197 CO -0.03 -0.22 0.58 -0.63 -0.69 0.00 0.00 174.62 173.63 1ajw s ILE 198 N 4.15 4.97 0.00 1.82 -1.09 0.43 0.11 121.20 131.58 1ajw s ILE 198 Ca 0.62 0.25 0.00 0.00 -2.23 0.00 0.00 60.65 59.30 1ajw s ILE 198 Cb -0.24 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 1ajw s ILE 198 CO 0.22 -0.28 0.00 0.29 -1.23 0.00 0.00 174.94 173.95 1ajw n LYS 199 N -0.75 0.00 -0.10 2.79 5.02 0.29 -3.14 118.16 122.26 1ajw n LYS 199 Ca -0.00 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 1ajw n LYS 199 Cb 0.53 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.43 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 0.62 -3.50 1.97 3.00 -1.26 -1.68 118.16 117.31 1ajw n LYS 200 Ca 0.00 0.37 -0.21 0.00 -0.00 0.00 0.00 58.31 58.47 1ajw n LYS 200 Cb 0.00 -1.64 -0.13 0.00 0.00 0.00 0.00 35.03 33.26 1ajw n LYS 200 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1ajw s GLU 201 N -2.47 0.20 -0.31 1.64 2.12 -1.26 -4.43 118.70 114.19 1ajw s GLU 201 Ca -0.31 -0.04 0.00 0.00 0.36 0.00 0.00 54.97 54.98 1ajw s GLU 201 Cb 0.09 -1.19 0.27 0.00 0.26 0.00 0.00 34.13 33.57 1ajw s GLU 201 CO 0.60 -0.80 1.83 -2.67 -0.54 0.00 0.00 175.26 173.68 1ajw n TRP 202 N 5.30 1.64 -2.35 5.30 4.27 -1.26 -4.04 117.44 126.31 1ajw n TRP 202 Ca -0.05 -1.76 -0.02 0.00 -3.89 0.00 0.00 57.50 51.78 1ajw n TRP 202 Cb 0.48 -0.86 0.04 0.00 -1.36 0.00 0.00 31.31 29.60 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 0.04 0.51 0.00 -2.67 4.81 -1.26 -4.27 118.16 115.32 1ajw n LYS 203 Ca 0.32 -0.61 0.15 0.00 -0.87 0.00 0.00 58.31 57.30 1ajw n LYS 203 Cb 0.76 0.31 0.84 0.00 0.02 0.00 0.00 35.03 36.96 1ajw n LYS 203 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10