#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 0.37 -1.40 0.00 -7.23 -1.26 -5.05 120.40 105.84 1ajw s VAL 61 Ca 0.00 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.04 1ajw s VAL 61 Cb 0.00 -2.57 0.08 0.00 0.56 0.00 0.00 36.38 34.45 1ajw s VAL 61 CO 0.00 0.00 2.10 -1.20 -0.31 0.00 0.00 175.10 175.69 1ajw n SER 62 N -0.59 4.30 -4.30 4.85 7.64 -1.26 -4.91 113.62 119.35 1ajw n SER 62 Ca 0.01 -2.93 -0.36 0.00 1.01 0.00 0.00 58.87 56.60 1ajw n SER 62 Cb 0.66 -1.60 -0.13 0.00 -1.01 0.00 0.00 64.21 62.12 1ajw n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ajw s ALA 63 N 2.27 2.92 0.50 -0.43 0.00 -1.26 -5.09 121.76 120.66 1ajw s ALA 63 Ca 0.45 -1.37 -0.20 0.00 0.00 0.00 0.00 51.96 50.83 1ajw s ALA 63 Cb 0.12 -1.92 -0.07 0.00 0.00 0.00 0.00 23.12 21.25 1ajw s ALA 63 CO -0.06 -0.76 1.08 0.16 0.00 0.00 0.00 175.76 176.19 1ajw s ASP 64 N 1.45 6.10 1.11 0.00 1.47 -1.26 -5.04 116.67 120.50 1ajw s ASP 64 Ca 0.03 2.05 -0.11 0.00 1.18 0.00 0.00 52.55 55.70 1ajw s ASP 64 Cb -0.16 -2.57 0.16 0.00 -0.34 0.00 0.00 42.92 40.01 1ajw s ASP 64 CO -0.01 -0.96 0.65 -0.81 0.68 0.00 0.00 175.17 174.73 1ajw n PRO 65 N -1.05 -1.85 -2.99 2.11 -0.04 -1.26 -4.99 135.00 124.94 1ajw n PRO 65 Ca 0.10 -1.03 -0.40 0.00 -0.04 0.00 0.00 63.50 62.12 1ajw n PRO 65 Cb 0.52 -0.89 -0.05 0.00 -0.04 0.00 0.00 33.50 33.04 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 -3.32 6.94 0.00 3.54 2.47 -1.26 -5.06 114.94 118.26 1ajw s ASN 66 Ca 0.41 1.14 0.05 0.00 0.42 0.00 0.00 52.86 54.87 1ajw s ASN 66 Cb -0.03 -2.42 -0.03 0.00 -1.45 0.00 0.00 41.25 37.31 1ajw s ASN 66 CO 0.31 -0.25 -0.12 0.54 -3.72 0.00 0.00 177.10 173.85 1ajw s VAL 67 N 1.51 3.24 1.09 -5.21 0.11 -1.26 -5.12 120.40 114.76 1ajw s VAL 67 Ca 0.37 -0.90 -0.18 0.00 -2.93 0.00 0.00 61.98 58.34 1ajw s VAL 67 Cb -0.17 -2.37 0.25 0.00 -1.53 0.00 0.00 36.38 32.56 1ajw s VAL 67 CO 0.15 0.42 1.19 -2.16 -3.33 0.00 0.00 175.10 171.37 1ajw s PRO 68 N -1.28 -0.38 -0.14 1.54 0.04 -1.26 -5.04 135.00 128.47 1ajw s PRO 68 Ca 0.15 -0.17 -0.13 0.00 0.04 0.00 0.00 61.00 60.89 1ajw s PRO 68 Cb -0.11 -1.70 -0.06 0.00 0.04 0.00 0.00 34.50 32.67 1ajw s PRO 68 CO 0.05 -3.14 -0.27 -1.71 0.04 0.00 0.00 177.00 171.98 1ajw n ASN 69 N -4.33 1.66 -4.38 6.66 5.15 -1.26 -4.81 115.26 113.95 1ajw n ASN 69 Ca 0.13 0.28 -0.33 0.00 -0.60 0.00 0.00 54.58 54.06 1ajw n ASN 69 Cb 0.59 -0.64 -0.14 0.00 -0.53 0.00 0.00 39.78 39.06 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 -2.60 3.06 -0.11 3.44 1.01 -1.26 -3.14 120.40 120.80 1ajw s VAL 70 Ca -0.24 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 60.98 1ajw s VAL 70 Cb 0.06 -2.28 0.03 0.00 0.00 0.00 0.00 36.38 34.19 1ajw s VAL 70 CO 0.34 0.53 0.29 -0.69 0.00 0.00 0.00 175.10 175.57 1ajw s VAL 71 N 0.26 -0.01 -0.43 2.92 1.01 -1.26 -4.58 120.40 118.32 1ajw s VAL 71 Ca -0.09 0.03 -0.28 0.00 0.00 0.00 0.00 61.98 61.64 1ajw s VAL 71 Cb -0.16 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 1ajw s VAL 71 CO 0.05 0.01 1.77 -0.69 0.00 0.00 0.00 175.10 176.25 1ajw s VAL 72 N 0.41 3.49 -0.05 2.92 1.01 -1.26 -3.33 120.40 123.60 1ajw s VAL 72 Ca -0.02 0.45 -0.15 0.00 0.00 0.00 0.00 61.98 62.26 1ajw s VAL 72 Cb -0.04 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 32.44 1ajw s VAL 72 CO -0.02 -0.61 0.61 0.71 0.00 0.00 0.00 175.10 175.80 1ajw h THR 73 N 6.79 0.25 -4.30 3.92 1.35 0.56 -3.38 112.91 118.11 1ajw h THR 73 Ca -0.30 -0.81 -0.19 0.00 -0.55 0.00 0.00 66.41 64.55 1ajw h THR 73 Cb 1.16 0.42 -0.15 0.00 -1.73 0.00 0.00 68.15 67.85 1ajw h THR 73 CO 1.10 0.07 -0.66 -0.13 -0.25 0.00 0.00 175.52 175.65 1ajw s ARG 74 N -3.11 0.90 -0.08 4.72 0.52 -1.04 -0.31 118.95 120.55 1ajw s ARG 74 Ca -0.08 -1.42 0.00 0.00 -0.52 0.00 0.00 55.73 53.71 1ajw s ARG 74 Cb 0.01 0.16 0.02 0.00 0.52 0.00 0.00 34.95 35.66 1ajw s ARG 74 CO 0.28 -0.21 -0.06 -1.17 0.02 0.00 0.00 175.30 174.16 1ajw s LEU 75 N -3.04 1.15 0.13 2.53 0.20 -0.61 -1.29 118.68 117.75 1ajw s LEU 75 Ca 0.21 -0.20 0.06 0.00 0.69 0.00 0.00 54.13 54.89 1ajw s LEU 75 Cb 0.07 -0.64 -0.04 0.00 -0.43 0.00 0.00 46.19 45.16 1ajw s LEU 75 CO 0.00 -0.09 -0.00 -0.89 -0.29 0.00 0.00 176.35 175.07 1ajw s THR 76 N 1.39 3.85 -0.12 3.68 2.01 0.51 -0.64 115.64 126.32 1ajw s THR 76 Ca -0.03 -1.19 -0.03 0.00 0.31 0.00 0.00 61.69 60.75 1ajw s THR 76 Cb -0.13 -2.88 0.05 0.00 0.01 0.00 0.00 72.50 69.54 1ajw s THR 76 CO -0.03 0.02 0.06 -0.76 -0.69 0.00 0.00 174.62 173.22 1ajw s LEU 77 N -2.59 0.44 0.35 4.42 1.43 -1.11 -0.92 118.68 120.70 1ajw s LEU 77 Ca 0.26 -0.37 0.08 0.00 -1.03 0.00 0.00 54.13 53.07 1ajw s LEU 77 Cb -0.11 -0.29 -0.05 0.00 0.03 0.00 0.00 46.19 45.78 1ajw s LEU 77 CO 0.18 -0.29 0.10 -0.69 0.23 0.00 0.00 176.35 175.88 1ajw s VAL 78 N 2.09 2.78 0.00 -1.59 1.01 -1.06 -2.97 120.40 120.65 1ajw s VAL 78 Ca 0.03 -1.79 0.00 0.00 0.00 0.00 0.00 61.98 60.22 1ajw s VAL 78 Cb -0.15 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1ajw s VAL 78 CO -0.07 -0.16 0.00 0.00 0.00 0.00 0.00 175.10 174.87 1ajw n SER 80 N 0.00 1.28 -2.68 0.00 3.41 -1.26 -4.66 113.62 109.71 1ajw n SER 80 Ca 0.00 0.02 -0.08 0.00 -0.26 0.00 0.00 58.87 58.55 1ajw n SER 80 Cb 0.00 -0.02 0.03 0.00 -0.26 0.00 0.00 64.21 63.96 1ajw n SER 80 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ajw n THR 81 N -3.12 1.14 -2.47 6.66 -2.24 -1.26 -5.11 114.28 107.88 1ajw n THR 81 Ca -0.37 -3.12 -0.23 0.00 -2.27 0.00 0.00 64.05 58.06 1ajw n THR 81 Cb 1.06 0.70 0.07 0.00 -2.10 0.00 0.00 70.33 70.06 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 -3.31 3.58 0.25 6.98 0.00 -1.26 -4.56 121.76 123.44 1ajw s ALA 82 Ca 0.28 -1.30 0.12 0.00 0.00 0.00 0.00 51.96 51.07 1ajw s ALA 82 Cb 0.42 -2.24 0.42 0.00 0.00 0.00 0.00 23.12 21.73 1ajw s ALA 82 CO 0.01 -1.13 1.64 -1.00 0.00 0.00 0.00 175.76 175.28 1ajw h PRO 83 N -0.32 0.00 0.00 0.00 0.13 -1.94 -3.49 132.00 126.39 1ajw h PRO 83 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 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 0.51 0.57 0.00 0.41 -0.23 0.00 0.00 178.00 179.26 1ajw n GLY 84 N 0.25 0.41 3.55 1.56 0.00 -1.26 -5.07 105.19 104.64 1ajw n GLY 84 Ca -0.01 -1.18 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 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 2.73 -0.20 1.61 0.04 -1.26 -4.78 135.00 131.15 1ajw s PRO 85 Ca 0.00 0.56 -0.29 0.00 0.04 0.00 0.00 61.00 61.31 1ajw s PRO 85 Cb 0.00 -4.35 -0.04 0.00 0.04 0.00 0.00 34.50 30.15 1ajw s PRO 85 CO 0.00 -2.61 1.89 -0.51 0.04 0.00 0.00 177.00 175.80 1ajw s LEU 86 N 8.57 3.77 -0.33 -3.56 1.43 -1.16 -4.64 118.68 122.76 1ajw s LEU 86 Ca 0.64 1.81 -0.14 0.00 -1.03 0.00 0.00 54.13 55.41 1ajw s LEU 86 Cb -0.13 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 1ajw s LEU 86 CO 0.21 -1.52 0.31 -1.61 0.23 0.00 0.00 176.35 173.97 1ajw s GLU 87 N 5.33 3.62 -0.21 1.70 2.02 -1.25 -2.76 118.70 127.15 1ajw s GLU 87 Ca 0.84 -0.43 -0.09 0.00 0.02 0.00 0.00 54.97 55.31 1ajw s GLU 87 Cb -0.30 -3.78 -0.04 0.00 0.10 0.00 0.00 34.13 30.11 1ajw s GLU 87 CO 0.34 -0.45 0.11 -0.51 0.02 0.00 0.00 175.26 174.77 1ajw s LEU 88 N 1.91 3.98 -0.06 1.80 1.43 0.19 -4.86 118.68 123.07 1ajw s LEU 88 Ca 0.10 0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 53.01 1ajw s LEU 88 Cb -0.17 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 1ajw s LEU 88 CO 0.11 0.13 1.04 -0.62 0.23 0.00 0.00 176.35 177.24 1ajw s ASP 89 N 0.62 7.24 -0.40 2.29 -1.08 -1.26 -1.57 116.67 122.51 1ajw s ASP 89 Ca 0.06 1.63 0.11 0.00 -0.52 0.00 0.00 52.55 53.83 1ajw s ASP 89 Cb -0.12 -2.56 0.42 0.00 -1.46 0.00 0.00 42.92 39.19 1ajw s ASP 89 CO 0.01 -0.42 0.99 0.18 0.52 0.00 0.00 175.17 176.45 1ajw n LEU 90 N 4.68 3.02 0.00 -1.34 4.77 0.58 -4.76 117.00 123.96 1ajw n LEU 90 Ca 0.08 -4.68 0.00 0.00 -0.03 0.00 0.00 56.01 51.39 1ajw n LEU 90 Cb 0.49 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1ajw n LEU 90 CO 0.53 2.00 0.00 0.35 -1.33 0.00 0.00 177.39 178.94 1ajw n THR 91 N -0.21 0.00 0.00 -5.08 -2.24 -1.26 -4.25 114.28 101.24 1ajw n THR 91 Ca 0.25 0.29 0.00 0.00 -2.27 0.00 0.00 64.05 62.32 1ajw n THR 91 Cb 0.69 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 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 2.00 0.00 3.37 3.38 0.00 -1.26 -4.88 105.19 107.80 1ajw n GLY 92 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.41 4.76 0.12 1.61 9.92 -1.26 -4.67 116.55 124.63 1ajw n ASP 93 Ca 0.00 -2.92 0.10 0.00 -0.53 0.00 0.00 54.79 51.44 1ajw n ASP 93 Cb 0.37 -1.70 0.03 0.00 -0.64 0.00 0.00 41.12 39.18 1ajw n ASP 93 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1ajw h LEU 94 N 11.60 0.00 -0.96 0.64 3.38 -1.90 -3.32 115.31 124.75 1ajw h LEU 94 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1ajw h LEU 94 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1ajw h LEU 94 CO 1.53 0.09 0.00 -0.62 0.09 0.00 0.00 178.44 179.53 1ajw n GLU 95 N -2.82 0.12 0.00 1.13 4.71 -1.26 -2.14 120.64 120.37 1ajw n GLU 95 Ca -0.00 0.55 0.09 0.00 -0.01 0.00 0.00 57.16 57.78 1ajw n GLU 95 Cb 0.59 -1.84 0.44 0.00 -1.01 0.00 0.00 31.44 29.61 1ajw n GLU 95 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1ajw n SER 96 N -2.09 0.00 0.03 1.62 2.88 -1.25 -3.58 113.62 111.24 1ajw n SER 96 Ca -0.00 0.09 -0.09 0.00 -1.33 0.00 0.00 58.87 57.54 1ajw n SER 96 Cb 0.08 -0.31 -0.06 0.00 -0.75 0.00 0.00 64.21 63.16 1ajw n SER 96 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 1ajw h PHE 97 N 0.00 -0.17 0.00 0.66 0.04 -1.68 -3.19 116.94 112.60 1ajw h PHE 97 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1ajw h PHE 97 Cb 0.18 0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.39 1ajw h PHE 97 CO 0.00 0.24 0.08 1.57 -0.60 0.00 0.00 178.31 179.60 1ajw h LYS 98 N -0.94 0.00 0.00 1.51 2.10 -1.65 -0.55 116.57 117.04 1ajw h LYS 98 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1ajw h LYS 98 Cb 0.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1ajw h LYS 98 CO 0.03 0.00 -0.60 -0.22 -2.00 0.00 0.00 179.45 176.66 1ajw h LYS 99 N 0.00 0.00 -3.75 0.07 1.63 -1.68 -3.47 116.57 109.37 1ajw h LYS 99 Ca 0.00 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.62 1ajw h LYS 99 Cb 0.16 0.00 -0.23 0.00 -0.60 0.00 0.00 32.23 31.56 1ajw h LYS 99 CO 0.00 0.00 -0.63 1.14 -3.45 0.00 0.00 179.45 176.51 1ajw s GLN 100 N -3.30 0.28 0.11 1.90 -2.07 -0.21 -5.14 119.66 111.22 1ajw s GLN 100 Ca 0.03 -0.36 0.01 0.00 -1.82 0.00 0.00 55.36 53.22 1ajw s GLN 100 Cb 0.08 0.11 -0.04 0.00 -1.09 0.00 0.00 33.01 32.07 1ajw s GLN 100 CO 0.74 -0.05 -0.05 -1.12 -1.32 0.00 0.00 175.29 173.49 1ajw s SER 101 N -1.01 1.05 0.52 12.60 0.01 -1.26 -4.42 113.70 121.19 1ajw s SER 101 Ca -0.11 -1.04 -0.01 0.00 1.31 0.00 0.00 55.95 56.09 1ajw s SER 101 Cb -0.07 0.12 0.01 0.00 0.21 0.00 0.00 66.02 66.29 1ajw s SER 101 CO -0.00 -0.51 0.77 -0.36 0.41 0.00 0.00 173.24 173.56 1ajw s PHE 102 N -3.68 3.13 -0.09 2.43 0.08 -1.12 -4.82 117.98 113.92 1ajw s PHE 102 Ca 0.14 0.30 0.02 0.00 0.12 0.00 0.00 56.93 57.51 1ajw s PHE 102 Cb 0.06 -2.57 0.01 0.00 -0.57 0.00 0.00 43.02 39.95 1ajw s PHE 102 CO -0.04 -0.66 -0.15 0.08 -0.10 0.00 0.00 175.22 174.35 1ajw s VAL 103 N -2.75 1.42 0.24 -0.44 1.01 -1.26 0.67 120.40 119.29 1ajw s VAL 103 Ca 0.52 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.92 1ajw s VAL 103 Cb -0.10 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 1ajw s VAL 103 CO 0.40 0.42 -0.03 -0.76 0.00 0.00 0.00 175.10 175.13 1ajw s LEU 104 N 0.73 2.32 0.80 3.92 1.43 0.59 -4.96 118.68 123.51 1ajw s LEU 104 Ca -0.12 -1.18 -0.12 0.00 -1.03 0.00 0.00 54.13 51.68 1ajw s LEU 104 Cb -0.16 -0.39 0.07 0.00 0.03 0.00 0.00 46.19 45.74 1ajw s LEU 104 CO 0.03 -0.44 1.12 -0.75 0.23 0.00 0.00 176.35 176.54 1ajw s LYS 105 N -3.81 2.10 0.02 1.70 2.20 -1.26 0.11 119.74 120.81 1ajw s LYS 105 Ca 0.27 0.44 -0.05 0.00 -0.36 0.00 0.00 55.97 56.27 1ajw s LYS 105 Cb 0.05 -1.94 -0.01 0.00 -1.51 0.00 0.00 37.83 34.42 1ajw s LYS 105 CO 0.09 -1.56 0.54 0.39 -0.36 0.00 0.00 175.35 174.45 1ajw n GLU 106 N -3.36 -0.07 -3.33 4.03 1.02 0.31 -3.30 120.64 115.94 1ajw n GLU 106 Ca 0.07 0.54 -0.26 0.00 -0.02 0.00 0.00 57.16 57.49 1ajw n GLU 106 Cb 0.58 -0.80 -0.08 0.00 -0.02 0.00 0.00 31.44 31.12 1ajw n GLU 106 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ajw n GLY 107 N -1.04 3.15 3.79 0.62 0.00 -1.26 -3.14 105.19 107.32 1ajw n GLY 107 Ca 0.00 -1.81 -0.39 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.17 4.68 -0.80 1.61 -7.23 -1.21 -4.43 120.40 111.85 1ajw s VAL 108 Ca 0.35 1.34 -0.23 0.00 -1.81 0.00 0.00 61.98 61.63 1ajw s VAL 108 Cb 0.12 -3.96 0.07 0.00 0.56 0.00 0.00 36.38 33.17 1ajw s VAL 108 CO -0.12 0.52 1.15 -1.61 -0.31 0.00 0.00 175.10 174.74 1ajw s GLU 109 N -0.96 3.32 -0.10 4.82 2.02 -1.26 -2.45 118.70 124.09 1ajw s GLU 109 Ca 0.31 -0.97 -0.01 0.00 0.02 0.00 0.00 54.97 54.32 1ajw s GLU 109 Cb -0.20 -4.57 -0.03 0.00 0.10 0.00 0.00 34.13 29.43 1ajw s GLU 109 CO 0.20 -1.95 -0.05 1.52 0.02 0.00 0.00 175.26 175.01 1ajw s TYR 110 N 4.26 2.99 0.40 1.61 -0.85 -1.19 -4.41 117.35 120.16 1ajw s TYR 110 Ca 0.31 -0.10 -0.06 0.00 -0.52 0.00 0.00 57.07 56.70 1ajw s TYR 110 Cb -0.09 -1.81 -0.05 0.00 0.38 0.00 0.00 41.96 40.39 1ajw s TYR 110 CO 0.03 0.19 0.69 1.03 -1.52 0.00 0.00 175.55 175.98 1ajw s ARG 111 N -0.35 3.62 -0.08 -3.49 0.52 -0.37 0.17 118.95 118.97 1ajw s ARG 111 Ca 0.05 0.15 0.05 0.00 -0.52 0.00 0.00 55.73 55.46 1ajw s ARG 111 Cb -0.12 -2.48 -0.00 0.00 0.52 0.00 0.00 34.95 32.86 1ajw s ARG 111 CO 0.02 -0.01 -0.23 0.42 0.02 0.00 0.00 175.30 175.52 1ajw s ILE 112 N -2.43 1.96 -0.19 1.52 1.01 -1.21 -2.57 121.20 119.28 1ajw s ILE 112 Ca 0.46 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 1ajw s ILE 112 Cb -0.10 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.69 1ajw s ILE 112 CO 0.37 0.54 -0.12 -0.54 0.00 0.00 0.00 174.94 175.19 1ajw s LYS 113 N 0.13 3.23 0.01 2.79 1.02 -0.10 -0.92 119.74 125.90 1ajw s LYS 113 Ca -0.11 -0.71 -0.02 0.00 0.02 0.00 0.00 55.97 55.15 1ajw s LYS 113 Cb -0.16 -2.78 -0.04 0.00 -0.52 0.00 0.00 37.83 34.33 1ajw s LYS 113 CO 0.06 -0.14 0.17 0.42 -0.92 0.00 0.00 175.35 174.94 1ajw s ILE 114 N 1.24 5.29 -0.05 2.17 -1.09 -1.04 -0.36 121.20 127.36 1ajw s ILE 114 Ca 0.03 -0.26 0.03 0.00 -2.23 0.00 0.00 60.65 58.22 1ajw s ILE 114 Cb -0.14 -3.48 0.01 0.00 -1.58 0.00 0.00 42.46 37.26 1ajw s ILE 114 CO -0.05 0.29 -0.12 -0.44 -1.23 0.00 0.00 174.94 173.38 1ajw s SER 115 N -2.02 1.66 0.10 3.58 0.01 -0.41 -0.94 113.70 115.67 1ajw s SER 115 Ca 0.28 -0.27 -0.18 0.00 1.31 0.00 0.00 55.95 57.09 1ajw s SER 115 Cb -0.13 -0.58 0.04 0.00 0.21 0.00 0.00 66.02 65.56 1ajw s SER 115 CO 0.20 0.07 0.45 0.72 0.41 0.00 0.00 173.24 175.08 1ajw s PHE 116 N 0.35 -0.29 -0.13 2.43 -0.71 -1.19 0.11 117.98 118.55 1ajw s PHE 116 Ca -0.08 0.11 0.00 0.00 -1.04 0.00 0.00 56.93 55.92 1ajw s PHE 116 Cb -0.12 0.30 -0.01 0.00 -1.21 0.00 0.00 43.02 41.97 1ajw s PHE 116 CO 0.02 -0.68 -0.14 0.50 -1.34 0.00 0.00 175.22 173.58 1ajw s ARG 117 N -3.28 3.34 -0.37 1.99 3.52 -1.21 0.82 118.95 123.76 1ajw s ARG 117 Ca -0.00 -0.71 -0.11 0.00 -0.13 0.00 0.00 55.73 54.78 1ajw s ARG 117 Cb 0.01 -2.61 0.03 0.00 -1.56 0.00 0.00 34.95 30.81 1ajw s ARG 117 CO -0.08 0.19 0.20 0.08 -0.81 0.00 0.00 175.30 174.88 1ajw s VAL 118 N 0.40 4.56 -0.37 7.11 1.01 -1.19 -4.03 120.40 127.89 1ajw s VAL 118 Ca -0.11 -0.83 0.11 0.00 0.00 0.00 0.00 61.98 61.15 1ajw s VAL 118 Cb -0.16 -3.53 0.44 0.00 0.00 0.00 0.00 36.38 33.13 1ajw s VAL 118 CO 0.05 -0.21 1.06 -0.46 0.00 0.00 0.00 175.10 175.54 1ajw n ASN 119 N 4.99 3.35 0.04 3.32 6.94 -1.19 -3.39 115.26 129.33 1ajw n ASN 119 Ca -0.12 -3.24 0.00 0.00 -0.02 0.00 0.00 54.58 51.20 1ajw n ASN 119 Cb 0.46 -0.47 0.00 0.00 -2.36 0.00 0.00 39.78 37.41 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 -0.36 0.00 -3.90 -3.83 3.00 -1.26 -4.92 116.66 105.39 1ajw n ARG 120 Ca 0.27 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 58.02 1ajw n ARG 120 Cb 0.76 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 33.16 1ajw n ARG 120 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1ajw s GLU 121 N -1.21 1.28 -0.43 -0.14 -1.05 -1.26 -4.92 118.70 110.97 1ajw s GLU 121 Ca 0.00 -1.09 -0.28 0.00 -0.15 0.00 0.00 54.97 53.46 1ajw s GLU 121 Cb 0.00 0.43 -0.02 0.00 -0.44 0.00 0.00 34.13 34.11 1ajw s GLU 121 CO 0.00 -0.50 1.79 0.42 0.95 0.00 0.00 175.26 177.92 1ajw s ILE 122 N -3.94 3.47 -0.83 1.83 1.01 -1.26 -4.19 121.20 117.29 1ajw s ILE 122 Ca 0.15 0.43 -0.23 0.00 0.00 0.00 0.00 60.65 61.01 1ajw s ILE 122 Cb 0.01 -3.78 0.07 0.00 0.01 0.00 0.00 42.46 38.78 1ajw s ILE 122 CO 0.00 -0.59 1.19 -0.69 0.00 0.00 0.00 174.94 174.85 1ajw s VAL 123 N 7.51 4.20 -1.26 2.92 1.01 -1.00 -4.92 120.40 128.87 1ajw s VAL 123 Ca 0.74 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 1ajw s VAL 123 Cb -0.18 -4.85 0.16 0.00 0.00 0.00 0.00 36.38 31.51 1ajw s VAL 123 CO 0.29 -1.67 1.68 -1.54 0.00 0.00 0.00 175.10 173.87 1ajw n SER 124 N 8.04 5.11 0.00 3.32 3.41 -1.26 -2.74 113.62 129.50 1ajw n SER 124 Ca 0.14 -3.04 0.00 0.00 -0.26 0.00 0.00 58.87 55.71 1ajw n SER 124 Cb 0.48 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.90 1ajw n SER 124 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ajw n GLY 125 N 3.52 -0.49 3.84 5.00 0.00 -1.26 -4.75 105.19 111.05 1ajw n GLY 125 Ca 0.39 0.12 -0.32 0.00 0.00 0.00 0.00 46.02 46.21 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 4.05 0.01 1.61 1.75 -1.18 -0.68 119.30 124.86 1ajw s MET 126 Ca 0.00 0.86 -0.10 0.00 -1.25 0.00 0.00 55.69 55.20 1ajw s MET 126 Cb 0.00 -2.28 0.01 0.00 2.84 0.00 0.00 34.83 35.40 1ajw s MET 126 CO 0.00 -0.01 0.20 0.21 -0.65 0.00 0.00 175.02 174.77 1ajw s LYS 127 N -3.36 0.61 -0.35 4.11 2.47 -1.18 -3.23 119.74 118.80 1ajw s LYS 127 Ca 0.58 -0.42 0.01 0.00 -1.56 0.00 0.00 55.97 54.57 1ajw s LYS 127 Cb -0.10 0.26 0.11 0.00 -1.46 0.00 0.00 37.83 36.64 1ajw s LYS 127 CO 0.20 -0.16 0.12 -0.47 0.16 0.00 0.00 175.35 175.20 1ajw s TYR 128 N -1.77 2.32 -0.11 4.03 5.04 0.29 -3.03 117.35 124.11 1ajw s TYR 128 Ca -0.11 -2.24 -0.13 0.00 -2.44 0.00 0.00 57.07 52.15 1ajw s TYR 128 Cb -0.05 -2.09 -0.05 0.00 0.35 0.00 0.00 41.96 40.13 1ajw s TYR 128 CO 0.00 -0.87 0.29 0.42 -1.34 0.00 0.00 175.55 174.06 1ajw s ILE 129 N 1.11 5.28 -0.02 3.14 1.01 -1.18 -0.06 121.20 130.47 1ajw s ILE 129 Ca 0.12 0.55 0.04 0.00 0.00 0.00 0.00 60.65 61.36 1ajw s ILE 129 Cb -0.20 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 1ajw s ILE 129 CO -0.15 0.48 -0.14 -1.58 0.00 0.00 0.00 174.94 173.56 1ajw s GLN 130 N -0.23 1.25 -0.06 2.79 0.74 0.31 -0.28 119.66 124.18 1ajw s GLN 130 Ca 0.18 -0.49 0.03 0.00 0.05 0.00 0.00 55.36 55.13 1ajw s GLN 130 Cb -0.14 -1.17 -0.02 0.00 1.10 0.00 0.00 33.01 32.78 1ajw s GLN 130 CO 0.06 0.25 -0.13 -1.01 -0.55 0.00 0.00 175.29 173.91 1ajw s HIS 131 N -0.14 2.75 -0.98 1.67 3.76 0.31 0.79 115.29 123.45 1ajw s HIS 131 Ca 0.02 -0.21 -0.13 0.00 -0.15 0.00 0.00 55.06 54.58 1ajw s HIS 131 Cb -0.07 -1.68 0.21 0.00 1.11 0.00 0.00 32.58 32.15 1ajw s HIS 131 CO 0.00 0.14 1.02 0.99 -0.85 0.00 0.00 174.74 176.05 1ajw s THR 132 N -0.57 5.48 -0.11 1.30 2.01 0.88 -0.60 115.64 124.03 1ajw s THR 132 Ca 0.08 -2.60 -0.20 0.00 0.31 0.00 0.00 61.69 59.28 1ajw s THR 132 Cb -0.11 -4.63 -0.04 0.00 0.01 0.00 0.00 72.50 67.73 1ajw s THR 132 CO 0.01 -1.24 0.57 -0.31 -0.69 0.00 0.00 174.62 172.96 1ajw s TYR 133 N 0.43 3.52 0.01 4.92 1.51 0.30 -2.85 117.35 125.19 1ajw s TYR 133 Ca 0.28 1.01 -0.08 0.00 -1.01 0.00 0.00 57.07 57.26 1ajw s TYR 133 Cb -0.08 -2.66 0.00 0.00 -0.11 0.00 0.00 41.96 39.11 1ajw s TYR 133 CO -0.08 0.10 0.16 0.50 -1.11 0.00 0.00 175.55 175.13 1ajw s ARG 134 N 0.82 0.56 -1.10 -0.62 3.00 -0.83 -1.28 118.95 119.50 1ajw s ARG 134 Ca 0.30 -0.46 -0.02 0.00 -1.00 0.00 0.00 55.73 54.55 1ajw s ARG 134 Cb -0.16 0.23 0.01 0.00 0.00 0.00 0.00 34.95 35.03 1ajw s ARG 134 CO 0.13 -0.14 0.12 1.17 0.00 0.00 0.00 175.30 176.57 1ajw n LYS 135 N 1.20 -2.57 -0.98 5.12 3.00 -1.26 -0.18 118.16 122.49 1ajw n LYS 135 Ca -0.22 0.58 0.00 0.00 -0.00 0.00 0.00 58.31 58.68 1ajw n LYS 135 Cb 0.56 -5.21 0.00 0.00 0.00 0.00 0.00 35.03 30.39 1ajw n LYS 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ajw n GLY 136 N -0.90 0.24 3.38 3.14 0.00 -1.26 -4.99 105.19 104.80 1ajw n GLY 136 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1ajw n GLY 136 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ajw s VAL 137 N -1.51 2.21 -0.25 1.61 -7.23 0.75 -5.10 120.40 110.88 1ajw s VAL 137 Ca 0.00 -1.72 -0.24 0.00 -1.81 0.00 0.00 61.98 58.21 1ajw s VAL 137 Cb 0.00 -1.96 -0.01 0.00 0.56 0.00 0.00 36.38 34.98 1ajw s VAL 137 CO 0.00 0.10 0.80 -0.75 -0.31 0.00 0.00 175.10 174.94 1ajw s LYS 138 N -2.00 4.16 -0.04 4.82 2.20 -1.26 -1.96 119.74 125.66 1ajw s LYS 138 Ca 0.13 0.87 -0.02 0.00 -0.36 0.00 0.00 55.97 56.59 1ajw s LYS 138 Cb -0.10 -3.65 -0.01 0.00 -1.51 0.00 0.00 37.83 32.56 1ajw s LYS 138 CO 0.06 -0.52 -0.04 0.82 -0.36 0.00 0.00 175.35 175.30 1ajw h ILE 139 N 5.44 0.00 -1.90 5.43 2.04 -1.87 -3.49 117.51 123.17 1ajw h ILE 139 Ca -0.24 -0.26 0.14 0.00 1.00 0.00 0.00 64.86 65.50 1ajw h ILE 139 Cb 1.10 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.99 1ajw h ILE 139 CO 0.86 0.00 0.59 -0.62 0.00 0.00 0.00 178.15 178.98 1ajw s ASP 140 N -4.08 -0.30 0.28 1.72 2.15 -1.25 -5.01 116.67 110.17 1ajw s ASP 140 Ca -0.04 0.09 0.06 0.00 0.43 0.00 0.00 52.55 53.09 1ajw s ASP 140 Cb 0.01 0.30 -0.06 0.00 -0.30 0.00 0.00 42.92 42.87 1ajw s ASP 140 CO 0.06 -0.45 -0.03 -1.59 -0.17 0.00 0.00 175.17 172.98 1ajw s LYS 141 N -2.44 1.52 -0.03 4.34 0.00 -1.26 -0.09 119.74 121.79 1ajw s LYS 141 Ca 0.05 -1.78 0.04 0.00 0.00 0.00 0.00 55.97 54.27 1ajw s LYS 141 Cb -0.01 -1.01 -0.00 0.00 0.00 0.00 0.00 37.83 36.81 1ajw s LYS 141 CO -0.06 -0.02 -0.14 0.99 0.00 0.00 0.00 175.35 176.12 1ajw s THR 142 N -3.13 1.15 -0.46 3.79 2.01 0.24 -4.93 115.64 114.31 1ajw s THR 142 Ca 0.30 -0.59 -0.14 0.00 0.31 0.00 0.00 61.69 61.58 1ajw s THR 142 Cb 0.05 -0.98 0.07 0.00 0.01 0.00 0.00 72.50 71.65 1ajw s THR 142 CO 0.12 0.33 0.36 -1.81 -0.69 0.00 0.00 174.62 172.93 1ajw s ASP 143 N -0.07 6.02 0.10 3.53 1.01 -1.26 -0.53 116.67 125.46 1ajw s ASP 143 Ca 0.00 -1.36 -0.05 0.00 0.71 0.00 0.00 52.55 51.85 1ajw s ASP 143 Cb -0.08 -2.13 -0.05 0.00 1.01 0.00 0.00 42.92 41.66 1ajw s ASP 143 CO 0.01 -0.61 0.34 -0.31 0.21 0.00 0.00 175.17 174.80 1ajw s TYR 144 N 1.59 3.52 -0.27 4.23 2.02 0.91 -4.91 117.35 124.44 1ajw s TYR 144 Ca 0.04 0.56 -0.07 0.00 -0.37 0.00 0.00 57.07 57.24 1ajw s TYR 144 Cb -0.24 -2.00 -0.01 0.00 -0.40 0.00 0.00 41.96 39.32 1ajw s TYR 144 CO 0.06 0.50 0.06 1.41 -1.57 0.00 0.00 175.55 176.01 1ajw s MET 145 N -2.33 3.31 -0.12 -0.62 1.75 -1.26 0.11 119.30 120.13 1ajw s MET 145 Ca 0.36 -0.70 -0.13 0.00 -1.25 0.00 0.00 55.69 53.97 1ajw s MET 145 Cb -0.13 -3.31 -0.11 0.00 2.84 0.00 0.00 34.83 34.12 1ajw s MET 145 CO 0.22 -0.33 0.31 0.28 -0.65 0.00 0.00 175.02 174.85 1ajw h VAL 146 N 5.74 0.75 0.00 10.11 2.07 -1.88 -3.48 116.25 129.56 1ajw h VAL 146 Ca -0.35 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 65.59 1ajw h VAL 146 Cb 1.15 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1ajw h VAL 146 CO 0.60 0.25 0.00 0.61 0.02 0.00 0.00 177.57 179.05 1ajw n GLY 147 N 1.69 1.00 3.87 2.17 0.00 -1.25 -4.99 105.19 107.69 1ajw n GLY 147 Ca -0.06 -2.01 -0.31 0.00 0.00 0.00 0.00 46.02 43.64 1ajw n GLY 147 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ajw s SER 148 N -0.13 6.61 -0.13 1.61 0.01 -1.26 -3.11 113.70 117.30 1ajw s SER 148 Ca 0.00 0.97 -0.07 0.00 1.31 0.00 0.00 55.95 58.17 1ajw s SER 148 Cb 0.00 -2.25 0.05 0.00 0.21 0.00 0.00 66.02 64.03 1ajw s SER 148 CO 0.00 -0.15 0.30 -0.31 0.41 0.00 0.00 173.24 173.49 1ajw s TYR 149 N -1.95 -0.43 0.43 2.43 2.02 -1.11 -4.99 117.35 113.75 1ajw s TYR 149 Ca 0.48 0.97 -0.17 0.00 -0.37 0.00 0.00 57.07 57.99 1ajw s TYR 149 Cb -0.11 0.12 -0.09 0.00 -0.40 0.00 0.00 41.96 41.48 1ajw s TYR 149 CO 0.23 -0.28 0.89 0.20 -1.57 0.00 0.00 175.55 175.03 1ajw s GLY 150 N 1.36 2.21 -0.94 0.71 0.00 -1.26 -2.37 107.32 107.03 1ajw s GLY 150 Ca -0.09 0.17 -0.24 0.00 0.00 0.00 0.00 44.72 44.56 1ajw s GLY 150 CO -0.10 0.43 1.75 2.56 0.00 0.00 0.00 173.10 177.74 1ajw s PRO 151 N -3.52 2.95 -0.36 2.90 0.04 -1.26 -4.77 135.00 130.99 1ajw s PRO 151 Ca 0.58 -0.59 0.08 0.00 0.04 0.00 0.00 61.00 61.11 1ajw s PRO 151 Cb -0.10 -5.16 0.70 0.00 0.04 0.00 0.00 34.50 29.98 1ajw s PRO 151 CO 0.22 -2.92 1.80 0.54 0.04 0.00 0.00 177.00 176.69 1ajw n ARG 152 N 8.88 3.06 -1.70 4.56 5.12 -1.22 -4.88 116.66 130.49 1ajw n ARG 152 Ca 0.37 -3.07 -0.14 0.00 -1.93 0.00 0.00 57.85 53.08 1ajw n ARG 152 Cb 0.49 -2.16 -0.05 0.00 -1.16 0.00 0.00 32.46 29.58 1ajw n ARG 152 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ajw n ALA 153 N -0.58 -0.36 -2.44 7.54 0.00 -1.22 -4.91 120.51 118.53 1ajw n ALA 153 Ca 0.46 0.20 -0.24 0.00 0.00 0.00 0.00 53.44 53.86 1ajw n ALA 153 Cb 1.44 -1.52 -0.08 0.00 0.00 0.00 0.00 19.45 19.29 1ajw n ALA 153 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1ajw s GLU 154 N -3.71 1.87 0.20 0.00 -1.05 -1.26 -5.01 118.70 109.74 1ajw s GLU 154 Ca 0.00 -2.12 0.04 0.00 -0.15 0.00 0.00 54.97 52.74 1ajw s GLU 154 Cb 0.00 -0.32 -0.03 0.00 -0.44 0.00 0.00 34.13 33.33 1ajw s GLU 154 CO 0.00 -0.53 0.32 -1.83 0.95 0.00 0.00 175.26 174.18 1ajw s GLU 155 N -3.65 3.42 0.52 -4.83 1.03 -1.26 -3.18 118.70 110.75 1ajw s GLU 155 Ca 0.29 -0.70 0.04 0.00 0.03 0.00 0.00 54.97 54.62 1ajw s GLU 155 Cb 0.03 -2.91 0.01 0.00 -0.80 0.00 0.00 34.13 30.45 1ajw s GLU 155 CO 0.18 0.47 0.23 0.71 -1.33 0.00 0.00 175.26 175.51 1ajw s TYR 156 N -1.89 1.83 -0.36 4.83 1.51 0.24 -4.90 117.35 118.61 1ajw s TYR 156 Ca 0.34 -0.86 0.03 0.00 -1.01 0.00 0.00 57.07 55.57 1ajw s TYR 156 Cb -0.10 -1.80 0.16 0.00 -0.11 0.00 0.00 41.96 40.10 1ajw s TYR 156 CO 0.29 -0.13 0.38 -2.00 -1.11 0.00 0.00 175.55 172.98 1ajw s GLU 157 N -4.09 0.61 0.70 -0.62 2.12 -1.25 -3.13 118.70 113.04 1ajw s GLU 157 Ca 0.24 -0.72 -0.11 0.00 0.36 0.00 0.00 54.97 54.74 1ajw s GLU 157 Cb -0.00 -0.65 0.01 0.00 0.26 0.00 0.00 34.13 33.75 1ajw s GLU 157 CO 0.14 -1.17 1.09 0.12 -0.54 0.00 0.00 175.26 174.90 1ajw s PHE 158 N 1.59 3.32 -0.05 5.30 5.36 -0.12 -4.87 117.98 128.50 1ajw s PHE 158 Ca 0.16 1.09 -0.02 0.00 -0.96 0.00 0.00 56.93 57.19 1ajw s PHE 158 Cb -0.14 -3.03 0.03 0.00 -0.34 0.00 0.00 43.02 39.54 1ajw s PHE 158 CO -0.07 -1.17 0.06 -1.17 -1.46 0.00 0.00 175.22 171.40 1ajw s LEU 159 N -5.37 0.18 0.19 6.12 0.20 -1.26 -2.49 118.68 116.25 1ajw s LEU 159 Ca 0.58 0.02 0.04 0.00 0.69 0.00 0.00 54.13 55.46 1ajw s LEU 159 Cb -0.11 -0.17 -0.03 0.00 -0.43 0.00 0.00 46.19 45.45 1ajw s LEU 159 CO 0.52 -0.25 0.26 0.42 -0.29 0.00 0.00 176.35 177.00 1ajw s THR 160 N 2.16 4.97 0.83 3.68 -4.23 -0.09 -4.99 115.64 117.96 1ajw s THR 160 Ca 0.05 -0.97 -0.10 0.00 -1.18 0.00 0.00 61.69 59.48 1ajw s THR 160 Cb -0.12 -3.61 0.09 0.00 1.34 0.00 0.00 72.50 70.20 1ajw s THR 160 CO -0.04 -0.20 1.12 -2.16 -0.54 0.00 0.00 174.62 172.80 1ajw s PRO 161 N -3.50 1.73 0.64 3.99 0.04 -1.26 -3.36 135.00 133.28 1ajw s PRO 161 Ca 0.33 1.34 -0.18 0.00 0.04 0.00 0.00 61.00 62.54 1ajw s PRO 161 Cb -0.10 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 1ajw s PRO 161 CO 0.27 -2.07 1.26 0.00 0.04 0.00 0.00 177.00 176.50 1ajw n MET 162 N -3.80 1.10 -3.84 4.56 0.00 -1.26 -4.33 117.12 109.56 1ajw n MET 162 Ca 0.10 0.43 -0.30 0.00 0.00 0.00 0.00 57.70 57.94 1ajw n MET 162 Cb 0.53 -2.49 -0.16 0.00 0.00 0.00 0.00 33.22 31.10 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 -3.29 1.11 0.08 3.17 2.12 0.13 -4.75 118.70 117.26 1ajw s GLU 163 Ca 0.82 -0.94 -0.31 0.00 0.36 0.00 0.00 54.97 54.90 1ajw s GLU 163 Cb -0.39 -2.35 -0.08 0.00 0.26 0.00 0.00 34.13 31.57 1ajw s GLU 163 CO 0.41 -0.74 1.62 -1.83 -0.54 0.00 0.00 175.26 174.18 1ajw s GLU 164 N 1.54 4.21 0.99 4.30 4.04 -1.25 -3.14 118.70 129.38 1ajw s GLU 164 Ca 0.01 2.31 -0.14 0.00 0.04 0.00 0.00 54.97 57.19 1ajw s GLU 164 Cb -0.18 -3.52 0.19 0.00 0.02 0.00 0.00 34.13 30.64 1ajw s GLU 164 CO -0.12 -0.70 1.16 0.00 -1.84 0.00 0.00 175.26 173.76 1ajw s ALA 165 N 2.34 1.53 -0.05 -0.84 0.00 -1.03 -4.87 121.76 118.84 1ajw s ALA 165 Ca 0.73 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 51.66 1ajw s ALA 165 Cb -0.40 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1ajw s ALA 165 CO 0.32 -2.65 1.32 -1.25 0.00 0.00 0.00 175.76 173.50 1ajw s PRO 166 N -5.39 4.29 0.00 0.00 0.04 -1.24 -4.21 135.00 128.49 1ajw s PRO 166 Ca 0.67 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.53 1ajw s PRO 166 Cb -0.12 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 30.79 1ajw s PRO 166 CO 0.54 -0.57 0.00 0.36 0.04 0.00 0.00 177.00 177.37 1ajw n LYS 167 N 5.65 3.72 -2.46 4.56 2.85 -1.19 -4.28 118.16 127.01 1ajw n LYS 167 Ca 0.13 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.34 1ajw n LYS 167 Cb 0.45 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.85 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 5.00 0.30 1.15 2.58 0.00 -1.26 -4.53 105.19 108.43 1ajw n GLY 168 Ca 0.00 -0.35 0.14 0.00 0.00 0.00 0.00 46.02 45.82 1ajw n GLY 168 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ajw n MET 169 N -1.80 -2.27 0.00 1.61 0.00 -1.26 -4.61 117.12 108.79 1ajw n MET 169 Ca -0.06 1.59 0.00 0.00 0.00 0.00 0.00 57.70 59.23 1ajw n MET 169 Cb 0.54 -2.80 0.00 0.00 0.00 0.00 0.00 33.22 30.96 1ajw n MET 169 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1ajw n LEU 170 N -3.50 0.00 0.06 3.17 -0.00 -1.26 -4.35 117.00 111.12 1ajw n LEU 170 Ca -0.01 0.00 0.21 0.00 -0.00 0.00 0.00 56.01 56.21 1ajw n LEU 170 Cb 0.63 0.00 0.65 0.00 -0.00 0.00 0.00 43.42 44.71 1ajw n LEU 170 CO 0.01 0.00 1.19 0.00 -0.00 0.00 0.00 177.39 178.59 1ajw h ALA 171 N 0.00 2.22 -2.51 1.96 0.00 -1.82 -3.41 119.26 115.70 1ajw h ALA 171 Ca 0.00 -0.02 -0.54 0.00 0.00 0.00 0.00 54.91 54.35 1ajw h ALA 171 Cb 0.00 0.04 0.05 0.00 0.00 0.00 0.00 17.79 17.88 1ajw h ALA 171 CO 0.00 -0.89 1.00 0.54 0.00 0.00 0.00 179.25 179.90 1ajw n ARG 172 N -3.45 2.64 -1.64 0.00 1.74 -1.26 -4.73 116.66 109.96 1ajw n ARG 172 Ca 0.10 0.95 0.00 0.00 -0.77 0.00 0.00 57.85 58.13 1ajw n ARG 172 Cb 0.82 -2.80 0.00 0.00 -1.02 0.00 0.00 32.46 29.46 1ajw n ARG 172 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ajw n GLY 173 N 3.95 -0.53 3.81 -0.13 0.00 -1.19 -4.90 105.19 106.21 1ajw n GLY 173 Ca 0.17 -1.69 -0.37 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.46 7.09 -0.26 1.61 1.04 -1.26 -1.07 113.70 120.38 1ajw s SER 174 Ca 0.00 1.38 -0.01 0.00 0.48 0.00 0.00 55.95 57.80 1ajw s SER 174 Cb 0.00 -2.40 0.08 0.00 0.10 0.00 0.00 66.02 63.80 1ajw s SER 174 CO 0.00 0.13 0.05 -0.31 0.98 0.00 0.00 173.24 174.09 1ajw s TYR 175 N -1.36 1.71 -0.10 5.02 1.51 -1.17 -4.81 117.35 118.16 1ajw s TYR 175 Ca 0.38 -1.52 -0.30 0.00 -1.01 0.00 0.00 57.07 54.63 1ajw s TYR 175 Cb -0.18 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.11 1ajw s TYR 175 CO 0.21 -0.78 1.49 1.21 -1.11 0.00 0.00 175.55 176.58 1ajw s ASN 176 N 1.62 6.78 0.07 2.29 2.47 -0.40 -1.00 114.94 126.78 1ajw s ASN 176 Ca 0.04 2.02 0.05 0.00 0.42 0.00 0.00 52.86 55.38 1ajw s ASN 176 Cb -0.18 -2.54 -0.04 0.00 -1.45 0.00 0.00 41.25 37.05 1ajw s ASN 176 CO -0.16 -0.85 -0.03 -0.63 -3.72 0.00 0.00 177.10 171.71 1ajw s ILE 177 N 3.78 3.86 -0.22 -5.21 1.01 0.10 -0.53 121.20 124.00 1ajw s ILE 177 Ca 0.66 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 60.31 1ajw s ILE 177 Cb -0.29 -2.80 0.01 0.00 0.01 0.00 0.00 42.46 39.39 1ajw s ILE 177 CO 0.23 0.18 -0.09 -0.54 0.00 0.00 0.00 174.94 174.73 1ajw s LYS 178 N -2.09 3.15 -0.21 2.79 1.02 0.23 -2.34 119.74 122.28 1ajw s LYS 178 Ca 0.23 -0.76 -0.04 0.00 0.02 0.00 0.00 55.97 55.42 1ajw s LYS 178 Cb -0.11 -2.89 -0.02 0.00 -0.52 0.00 0.00 37.83 34.29 1ajw s LYS 178 CO 0.15 -0.25 -0.03 -1.12 -0.92 0.00 0.00 175.35 173.19 1ajw s SER 179 N 1.39 4.51 -0.39 2.83 0.01 -1.18 0.11 113.70 120.98 1ajw s SER 179 Ca 0.04 -0.31 -0.05 0.00 1.31 0.00 0.00 55.95 56.95 1ajw s SER 179 Cb -0.14 -1.77 0.09 0.00 0.21 0.00 0.00 66.02 64.40 1ajw s SER 179 CO -0.06 0.02 0.19 -0.13 0.41 0.00 0.00 173.24 173.67 1ajw s ARG 180 N 1.22 2.31 -0.31 12.44 1.81 0.61 -2.47 118.95 134.56 1ajw s ARG 180 Ca 0.03 -1.59 -0.26 0.00 -1.72 0.00 0.00 55.73 52.19 1ajw s ARG 180 Cb -0.14 -3.58 0.01 0.00 -0.45 0.00 0.00 34.95 30.78 1ajw s ARG 180 CO -0.00 -0.95 0.93 0.12 -0.68 0.00 0.00 175.30 174.72 1ajw s PHE 181 N 1.27 3.18 0.00 -0.53 5.36 0.26 -3.10 117.98 124.42 1ajw s PHE 181 Ca 0.04 1.01 0.00 0.00 -0.96 0.00 0.00 56.93 57.02 1ajw s PHE 181 Cb -0.22 -3.45 0.00 0.00 -0.34 0.00 0.00 43.02 39.00 1ajw s PHE 181 CO -0.01 -0.67 0.00 -2.37 -1.46 0.00 0.00 175.22 170.71 1ajw n THR 182 N 5.70 0.00 -0.71 0.12 5.66 -1.17 -1.80 114.28 122.08 1ajw n THR 182 Ca 0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 1ajw n THR 182 Cb 0.48 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 1ajw n THR 182 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1ajw n ASP 183 N 0.00 1.59 -1.73 1.09 5.75 -1.26 -3.11 116.55 118.88 1ajw n ASP 183 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.67 1ajw n ASP 183 Cb 0.00 0.00 0.15 0.00 -1.03 0.00 0.00 41.12 40.24 1ajw n ASP 183 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1ajw n ASP 184 N 0.00 3.64 -2.82 -1.12 -0.08 0.14 -4.33 116.55 111.98 1ajw n ASP 184 Ca 0.00 -2.97 -0.18 0.00 -1.51 0.00 0.00 54.79 50.13 1ajw n ASP 184 Cb 0.00 -0.70 -0.01 0.00 2.34 0.00 0.00 41.12 42.75 1ajw n ASP 184 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1ajw n ASP 185 N -0.37 2.48 -0.64 1.67 -0.08 -1.26 -5.02 116.55 113.33 1ajw n ASP 185 Ca 0.35 -3.18 0.00 0.00 -1.51 0.00 0.00 54.79 50.45 1ajw n ASP 185 Cb 1.19 -0.55 0.00 0.00 2.34 0.00 0.00 41.12 44.11 1ajw n ASP 185 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1ajw n ARG 186 N -0.08 -0.10 -2.93 -0.67 0.00 -1.26 -4.79 116.66 106.82 1ajw n ARG 186 Ca 0.24 -0.05 -0.08 0.00 -0.00 0.00 0.00 57.85 57.95 1ajw n ARG 186 Cb 0.67 0.09 -0.03 0.00 0.00 0.00 0.00 32.46 33.19 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 -0.15 0.00 -3.79 5.15 5.66 -1.26 -5.11 114.28 114.78 1ajw n THR 187 Ca 0.00 -1.04 -0.34 0.00 -3.05 0.00 0.00 64.05 59.63 1ajw n THR 187 Cb 0.00 0.57 -0.11 0.00 -1.55 0.00 0.00 70.33 69.25 1ajw n THR 187 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1ajw s ASP 188 N -2.12 5.02 0.24 1.09 1.11 -1.26 -4.61 116.67 116.13 1ajw s ASP 188 Ca 0.17 -3.11 -0.07 0.00 0.18 0.00 0.00 52.55 49.72 1ajw s ASP 188 Cb 0.00 -1.78 0.23 0.00 1.07 0.00 0.00 42.92 42.44 1ajw s ASP 188 CO 0.12 -0.28 1.91 0.45 1.18 0.00 0.00 175.17 178.55 1ajw h HIS 189 N 6.59 1.19 -1.48 4.23 3.86 -1.72 -3.46 115.15 124.36 1ajw h HIS 189 Ca 0.00 0.02 0.10 0.00 -1.16 0.00 0.00 60.37 59.33 1ajw h HIS 189 Cb 0.90 -0.40 -0.24 0.00 1.06 0.00 0.00 27.41 28.73 1ajw h HIS 189 CO 0.66 0.76 0.60 -1.17 0.86 0.00 0.00 177.93 179.64 1ajw s LEU 190 N -10.09 -0.33 -0.27 2.43 2.96 -0.75 -4.84 118.68 107.80 1ajw s LEU 190 Ca -0.13 0.41 -0.22 0.00 -0.22 0.00 0.00 54.13 53.97 1ajw s LEU 190 Cb 0.17 1.74 0.07 0.00 0.50 0.00 0.00 46.19 48.67 1ajw s LEU 190 CO 0.81 -0.26 0.70 -0.94 -1.32 0.00 0.00 176.35 175.34 1ajw s SER 191 N -0.86 -0.80 0.00 3.68 1.04 -1.26 0.92 113.70 116.41 1ajw s SER 191 Ca 0.01 1.45 0.00 0.00 0.48 0.00 0.00 55.95 57.88 1ajw s SER 191 Cb -0.01 1.42 0.00 0.00 0.10 0.00 0.00 66.02 67.53 1ajw s SER 191 CO -0.01 -0.24 0.00 -2.67 0.98 0.00 0.00 173.24 171.29 1ajw n TRP 192 N 3.19 0.00 -3.64 5.02 2.14 -1.03 -5.00 117.44 118.12 1ajw n TRP 192 Ca -0.16 0.00 -0.08 0.00 2.07 0.00 0.00 57.50 59.33 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 1.26 0.71 0.03 -2.67 -1.05 -1.26 -3.12 118.70 112.59 1ajw s GLU 193 Ca 0.00 1.14 -0.06 0.00 -0.15 0.00 0.00 54.97 55.90 1ajw s GLU 193 Cb 0.00 0.18 -0.01 0.00 -0.44 0.00 0.00 34.13 33.87 1ajw s GLU 193 CO 0.00 -0.14 0.11 1.67 0.95 0.00 0.00 175.26 177.86 1ajw s TRP 194 N 1.38 0.15 0.23 4.83 1.48 -0.99 -3.75 118.94 122.27 1ajw s TRP 194 Ca -0.08 -0.38 -0.04 0.00 -1.06 0.00 0.00 56.10 54.54 1ajw s TRP 194 Cb -0.05 -0.11 -0.05 0.00 -1.16 0.00 0.00 33.47 32.10 1ajw s TRP 194 CO -0.16 -0.34 0.46 -0.80 -4.06 0.00 0.00 176.95 172.05 1ajw s ASN 195 N -1.89 6.44 -0.46 -2.66 0.01 -1.26 0.03 114.94 115.16 1ajw s ASN 195 Ca -0.08 0.59 0.03 0.00 -0.71 0.00 0.00 52.86 52.69 1ajw s ASN 195 Cb -0.03 -2.09 0.13 0.00 0.41 0.00 0.00 41.25 39.67 1ajw s ASN 195 CO -0.03 -0.09 0.24 -0.22 -1.51 0.00 0.00 177.10 175.50 1ajw s LEU 196 N -3.27 3.17 0.45 0.60 2.96 -0.17 -2.78 118.68 119.64 1ajw s LEU 196 Ca 0.42 -2.73 -0.24 0.00 -0.22 0.00 0.00 54.13 51.36 1ajw s LEU 196 Cb -0.11 -1.22 -0.08 0.00 0.50 0.00 0.00 46.19 45.29 1ajw s LEU 196 CO 0.28 -0.26 1.22 -0.89 -1.32 0.00 0.00 176.35 175.38 1ajw s THR 197 N 0.17 2.89 0.22 3.68 2.01 0.21 -3.03 115.64 121.80 1ajw s THR 197 Ca 0.17 0.71 0.11 0.00 0.31 0.00 0.00 61.69 62.99 1ajw s THR 197 Cb -0.25 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 1ajw s THR 197 CO 0.00 0.03 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.13 1ajw s ILE 198 N -1.43 2.23 0.00 1.82 -1.09 -0.24 -0.30 121.20 122.20 1ajw s ILE 198 Ca 0.62 -2.15 0.00 0.00 -2.23 0.00 0.00 60.65 56.88 1ajw s ILE 198 Cb -0.32 -2.12 0.00 0.00 -1.58 0.00 0.00 42.46 38.44 1ajw s ILE 198 CO 0.40 -0.30 0.00 1.17 -1.23 0.00 0.00 174.94 174.99 1ajw n LYS 199 N -0.09 0.00 0.00 2.79 4.81 0.30 -3.14 118.16 122.83 1ajw n LYS 199 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.34 1ajw n LYS 199 Cb 0.58 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.63 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 -0.22 -2.69 1.64 2.85 -1.26 0.11 118.16 118.59 1ajw n LYS 200 Ca 0.00 -0.24 -0.06 0.00 -1.05 0.00 0.00 58.31 56.97 1ajw n LYS 200 Cb 0.00 -0.72 0.12 0.00 -0.65 0.00 0.00 35.03 33.78 1ajw n LYS 200 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1ajw n GLU 201 N -0.04 1.24 0.33 -1.58 0.28 -1.26 -4.82 120.64 114.80 1ajw n GLU 201 Ca 0.00 -1.63 0.20 0.00 -0.16 0.00 0.00 57.16 55.56 1ajw n GLU 201 Cb 0.11 0.10 1.06 0.00 1.43 0.00 0.00 31.44 34.14 1ajw n GLU 201 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 177.13 177.08 1ajw h TRP 202 N 1.70 0.00 -0.95 -1.84 5.08 -1.90 -3.15 115.95 114.89 1ajw h TRP 202 Ca -0.33 0.00 -0.35 0.00 1.08 0.00 0.00 58.89 59.29 1ajw h TRP 202 Cb 1.30 0.00 -0.29 0.00 -3.00 0.00 0.00 29.16 27.17 1ajw h TRP 202 CO 0.07 0.00 -0.85 1.17 -1.28 0.00 0.00 178.44 177.55 1ajw n LYS 203 N -2.98 1.05 0.00 0.12 0.00 -1.26 -4.84 118.16 110.24 1ajw n LYS 203 Ca -0.03 -2.70 0.08 0.00 0.00 0.00 0.00 58.31 55.66 1ajw n LYS 203 Cb 0.19 -1.19 0.46 0.00 0.00 0.00 0.00 35.03 34.49 1ajw n LYS 203 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00