#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ajw h VAL 61 N 0.00 1.77 -6.33 0.00 2.07 -2.10 -3.48 116.25 108.18 1ajw h VAL 61 Ca 0.00 -2.33 -0.46 0.00 0.82 0.00 0.00 66.70 64.74 1ajw h VAL 61 Cb 0.00 3.34 0.06 0.00 -1.52 0.00 0.00 31.29 33.17 1ajw h VAL 61 CO 0.00 0.60 -0.94 -1.54 0.02 0.00 0.00 177.57 175.71 1ajw n SER 62 N -4.61 -4.33 0.00 0.57 3.41 -1.26 -3.78 113.62 103.62 1ajw n SER 62 Ca -0.10 -1.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.47 1ajw n SER 62 Cb 0.47 -3.19 0.00 0.00 -0.26 0.00 0.00 64.21 61.23 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 -4.30 0.00 -3.08 7.33 0.00 -1.26 -4.80 120.51 114.41 1ajw n ALA 63 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.18 1ajw n ALA 63 Cb 0.61 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.07 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 1.25 -7.30 -4.78 0.00 -0.08 -1.25 -4.96 116.55 99.43 1ajw n ASP 64 Ca 0.00 0.17 -0.30 0.00 -1.51 0.00 0.00 54.79 53.15 1ajw n ASP 64 Cb 0.00 -4.51 0.10 0.00 2.34 0.00 0.00 41.12 39.05 1ajw n ASP 64 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1ajw s PRO 65 N -2.85 2.05 -0.18 -0.67 0.04 -1.26 -5.00 135.00 127.13 1ajw s PRO 65 Ca 0.19 0.86 0.07 0.00 0.04 0.00 0.00 61.00 62.16 1ajw s PRO 65 Cb -0.04 -1.90 0.22 0.00 0.04 0.00 0.00 34.50 32.82 1ajw s PRO 65 CO 0.79 -1.70 1.08 -1.71 0.04 0.00 0.00 177.00 175.50 1ajw n ASN 66 N -3.52 -0.87 -4.64 6.66 4.05 -1.26 -5.11 115.26 110.57 1ajw n ASN 66 Ca 0.08 -1.68 -0.42 0.00 0.45 0.00 0.00 54.58 53.00 1ajw n ASN 66 Cb 0.55 0.39 -0.03 0.00 1.23 0.00 0.00 39.78 41.92 1ajw n ASN 66 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1ajw s VAL 67 N 0.07 3.09 0.00 3.44 -7.23 -1.26 -4.97 120.40 113.53 1ajw s VAL 67 Ca 0.05 0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.32 1ajw s VAL 67 Cb 0.24 -3.08 0.00 0.00 0.56 0.00 0.00 36.38 34.10 1ajw s VAL 67 CO -0.07 -0.03 0.00 -0.81 -0.31 0.00 0.00 175.10 173.88 1ajw n PRO 68 N 7.92 0.06 0.00 4.82 -0.04 -1.26 -4.97 135.00 141.53 1ajw n PRO 68 Ca 0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1ajw n PRO 68 Cb 0.43 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 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 -1.52 0.00 -3.85 3.54 5.15 -1.26 -4.44 115.26 112.89 1ajw n ASN 69 Ca 0.00 0.42 -0.28 0.00 -0.60 0.00 0.00 54.58 54.11 1ajw n ASN 69 Cb 0.00 -0.47 -0.16 0.00 -0.53 0.00 0.00 39.78 38.62 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 -0.93 1.02 0.03 3.44 1.01 -1.25 -3.19 120.40 120.53 1ajw s VAL 70 Ca 0.00 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1ajw s VAL 70 Cb 0.00 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 1ajw s VAL 70 CO 0.00 -0.04 -0.04 -0.69 0.00 0.00 0.00 175.10 174.33 1ajw s VAL 71 N 1.65 0.25 -0.46 2.92 1.01 -1.25 -4.54 120.40 119.98 1ajw s VAL 71 Ca -0.02 -0.92 -0.27 0.00 0.00 0.00 0.00 61.98 60.77 1ajw s VAL 71 Cb -0.17 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 1ajw s VAL 71 CO -0.07 -0.44 2.03 -0.69 0.00 0.00 0.00 175.10 175.93 1ajw s VAL 72 N -1.36 3.26 0.18 2.92 1.01 -1.26 -3.25 120.40 121.90 1ajw s VAL 72 Ca -0.13 0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 1ajw s VAL 72 Cb -0.10 -3.51 -0.07 0.00 0.00 0.00 0.00 36.38 32.70 1ajw s VAL 72 CO -0.01 -0.44 1.48 0.71 0.00 0.00 0.00 175.10 176.84 1ajw h THR 73 N 7.11 1.34 -2.38 3.92 1.35 0.45 -3.39 112.91 121.31 1ajw h THR 73 Ca -0.29 -1.91 0.17 0.00 -0.55 0.00 0.00 66.41 63.83 1ajw h THR 73 Cb 1.20 1.89 -0.06 0.00 -1.73 0.00 0.00 68.15 69.45 1ajw h THR 73 CO 1.12 0.59 0.52 -0.13 -0.25 0.00 0.00 175.52 177.38 1ajw s ARG 74 N -3.86 1.24 -0.07 4.72 0.52 -1.17 -3.15 118.95 117.17 1ajw s ARG 74 Ca -0.07 -0.73 -0.03 0.00 -0.52 0.00 0.00 55.73 54.39 1ajw s ARG 74 Cb 0.11 0.39 0.04 0.00 0.52 0.00 0.00 34.95 36.01 1ajw s ARG 74 CO 0.84 -0.57 0.13 -1.17 0.02 0.00 0.00 175.30 174.55 1ajw s LEU 75 N -3.10 0.35 0.37 2.53 0.20 -0.56 -1.14 118.68 117.34 1ajw s LEU 75 Ca 0.15 0.26 0.08 0.00 0.69 0.00 0.00 54.13 55.31 1ajw s LEU 75 Cb -0.02 0.22 -0.04 0.00 -0.43 0.00 0.00 46.19 45.93 1ajw s LEU 75 CO 0.03 -0.20 0.24 -0.89 -0.29 0.00 0.00 176.35 175.24 1ajw s THR 76 N 1.76 2.91 -0.44 3.68 2.01 -1.10 0.96 115.64 125.42 1ajw s THR 76 Ca -0.02 -1.54 0.05 0.00 0.31 0.00 0.00 61.69 60.49 1ajw s THR 76 Cb -0.12 -3.03 0.17 0.00 0.01 0.00 0.00 72.50 69.54 1ajw s THR 76 CO -0.05 -0.10 0.47 -0.76 -0.69 0.00 0.00 174.62 173.48 1ajw s LEU 77 N -3.96 0.36 0.78 4.42 1.43 -0.76 -2.93 118.68 118.02 1ajw s LEU 77 Ca 0.42 -2.51 -0.12 0.00 -1.03 0.00 0.00 54.13 50.89 1ajw s LEU 77 Cb -0.02 0.39 0.06 0.00 0.03 0.00 0.00 46.19 46.65 1ajw s LEU 77 CO 0.25 -0.14 1.11 -0.69 0.23 0.00 0.00 176.35 177.11 1ajw s VAL 78 N 0.44 2.92 0.00 -1.59 1.01 -1.10 -3.22 120.40 118.86 1ajw s VAL 78 Ca 0.31 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1ajw s VAL 78 Cb 0.01 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1ajw s VAL 78 CO -0.13 -0.39 0.00 0.00 0.00 0.00 0.00 175.10 174.57 1ajw n SER 80 N -0.59 3.99 -0.17 0.00 3.41 -1.26 -4.75 113.62 114.25 1ajw n SER 80 Ca 0.00 -0.01 0.08 0.00 -0.26 0.00 0.00 58.87 58.68 1ajw n SER 80 Cb 0.00 0.38 0.11 0.00 -0.26 0.00 0.00 64.21 64.44 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 -2.29 1.50 -2.29 6.66 -2.24 -1.26 -5.06 114.28 109.31 1ajw n THR 81 Ca -0.06 -1.82 -0.12 0.00 -2.27 0.00 0.00 64.05 59.78 1ajw n THR 81 Cb 0.60 -0.08 0.07 0.00 -2.10 0.00 0.00 70.33 68.82 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 -1.13 -0.03 0.06 6.98 0.00 -1.26 -4.46 120.51 120.67 1ajw n ALA 82 Ca 0.13 -0.96 -0.09 0.00 0.00 0.00 0.00 53.44 52.52 1ajw n ALA 82 Cb 0.66 0.13 -0.13 0.00 0.00 0.00 0.00 19.45 20.11 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 0.05 0.00 0.00 0.13 -1.97 -3.49 132.00 126.71 1ajw h PRO 83 Ca -0.17 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1ajw h PRO 83 Cb 0.61 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.76 1ajw h PRO 83 CO 0.17 0.99 0.00 0.41 -0.23 0.00 0.00 178.00 179.34 1ajw n GLY 84 N 1.40 0.72 3.55 1.56 0.00 -1.26 -5.07 105.19 106.10 1ajw n GLY 84 Ca -0.03 -1.08 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 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 0.05 1.61 0.04 -1.26 -4.74 135.00 131.43 1ajw s PRO 85 Ca 0.00 0.13 -0.30 0.00 0.04 0.00 0.00 61.00 60.87 1ajw s PRO 85 Cb 0.00 -4.63 -0.08 0.00 0.04 0.00 0.00 34.50 29.83 1ajw s PRO 85 CO 0.00 -2.83 1.67 -0.51 0.04 0.00 0.00 177.00 175.37 1ajw s LEU 86 N 8.76 4.36 -0.24 -3.56 1.43 -1.20 -4.52 118.68 123.72 1ajw s LEU 86 Ca 0.63 2.46 -0.09 0.00 -1.03 0.00 0.00 54.13 56.10 1ajw s LEU 86 Cb -0.09 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 1ajw s LEU 86 CO 0.12 -0.90 0.11 -1.61 0.23 0.00 0.00 176.35 174.29 1ajw s GLU 87 N 3.00 3.84 -0.28 1.70 2.02 -1.26 -1.83 118.70 125.89 1ajw s GLU 87 Ca 0.75 -0.39 -0.10 0.00 0.02 0.00 0.00 54.97 55.25 1ajw s GLU 87 Cb -0.39 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.41 1ajw s GLU 87 CO 0.32 -0.06 0.15 -0.51 0.02 0.00 0.00 175.26 175.19 1ajw s LEU 88 N 1.31 3.87 0.35 1.80 1.43 0.27 -4.90 118.68 122.81 1ajw s LEU 88 Ca 0.06 -0.17 -0.28 0.00 -1.03 0.00 0.00 54.13 52.71 1ajw s LEU 88 Cb -0.15 -2.04 -0.10 0.00 0.03 0.00 0.00 46.19 43.94 1ajw s LEU 88 CO 0.05 -0.07 1.28 -0.62 0.23 0.00 0.00 176.35 177.21 1ajw s ASP 89 N 1.69 6.68 -0.36 2.29 2.15 -1.26 -1.49 116.67 126.38 1ajw s ASP 89 Ca 0.06 2.61 0.14 0.00 0.43 0.00 0.00 52.55 55.80 1ajw s ASP 89 Cb -0.16 -2.64 0.38 0.00 -0.30 0.00 0.00 42.92 40.20 1ajw s ASP 89 CO 0.08 -0.59 0.81 0.18 -0.17 0.00 0.00 175.17 175.48 1ajw n LEU 90 N 0.61 0.97 0.06 -1.34 4.77 -1.19 -4.77 117.00 116.10 1ajw n LEU 90 Ca 0.01 -4.58 0.00 0.00 -0.03 0.00 0.00 56.01 51.41 1ajw n LEU 90 Cb 0.43 0.63 0.00 0.00 -2.33 0.00 0.00 43.42 42.15 1ajw n LEU 90 CO 0.57 2.06 -0.11 0.35 -1.33 0.00 0.00 177.39 178.93 1ajw n THR 91 N 0.17 0.44 0.03 -5.08 -2.24 -1.26 -4.32 114.28 102.03 1ajw n THR 91 Ca 0.20 0.15 0.00 0.00 -2.27 0.00 0.00 64.05 62.12 1ajw n THR 91 Cb 0.71 -1.11 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 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 2.54 -0.19 3.06 3.38 0.00 -1.26 -4.94 105.19 107.77 1ajw n GLY 92 Ca 0.00 0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1ajw n GLY 92 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ajw n ASP 93 N -2.69 2.65 0.03 1.61 5.75 -1.26 -4.46 116.55 118.17 1ajw n ASP 93 Ca 0.00 -2.69 0.06 0.00 -0.01 0.00 0.00 54.79 52.15 1ajw n ASP 93 Cb 0.00 -1.16 -0.09 0.00 -1.03 0.00 0.00 41.12 38.84 1ajw n ASP 93 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1ajw n LEU 94 N 7.33 0.50 0.26 -2.12 4.77 -1.26 -4.16 117.00 122.32 1ajw n LEU 94 Ca 0.50 0.21 0.18 0.00 -0.03 0.00 0.00 56.01 56.86 1ajw n LEU 94 Cb 0.40 0.06 0.86 0.00 -2.33 0.00 0.00 43.42 42.40 1ajw n LEU 94 CO 1.03 0.04 1.15 1.05 -1.33 0.00 0.00 177.39 179.32 1ajw h GLU 95 N 0.00 0.00 0.00 3.23 4.11 -1.98 0.11 114.58 120.05 1ajw h GLU 95 Ca -0.11 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.31 1ajw h GLU 95 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 1ajw h GLU 95 CO 0.02 0.00 -0.06 1.03 0.07 0.00 0.00 179.01 180.06 1ajw h SER 96 N 0.00 0.00 0.88 3.06 0.87 -1.96 -3.26 113.55 113.15 1ajw h SER 96 Ca 0.06 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.57 1ajw h SER 96 Cb 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1ajw h SER 96 CO -0.00 0.06 -0.48 -0.26 -0.53 0.00 0.00 176.83 175.62 1ajw h PHE 97 N 0.00 -1.26 0.00 2.24 -1.00 -1.06 -2.15 116.94 113.70 1ajw h PHE 97 Ca -0.00 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.76 1ajw h PHE 97 Cb 0.54 0.43 0.00 0.00 3.61 0.00 0.00 35.95 40.53 1ajw h PHE 97 CO 0.00 -0.74 0.00 0.36 -1.61 0.00 0.00 178.31 176.32 1ajw n LYS 98 N -5.54 0.12 0.09 1.51 2.85 -1.23 -1.73 118.16 114.23 1ajw n LYS 98 Ca -0.15 0.51 0.12 0.00 -1.05 0.00 0.00 58.31 57.74 1ajw n LYS 98 Cb 0.51 -1.81 0.19 0.00 -0.65 0.00 0.00 35.03 33.27 1ajw n LYS 98 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1ajw h LYS 99 N 0.00 0.00 -4.52 -1.58 3.64 -1.44 -3.47 116.57 109.19 1ajw h LYS 99 Ca 0.00 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.18 1ajw h LYS 99 Cb 0.14 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 31.81 1ajw h LYS 99 CO 0.00 0.00 -0.67 1.14 -2.27 0.00 0.00 179.45 177.65 1ajw s GLN 100 N -3.18 0.86 0.25 1.90 -2.07 -0.70 -5.10 119.66 111.61 1ajw s GLN 100 Ca 0.06 -1.37 0.02 0.00 -1.82 0.00 0.00 55.36 52.25 1ajw s GLN 100 Cb 0.12 -0.00 -0.05 0.00 -1.09 0.00 0.00 33.01 31.98 1ajw s GLN 100 CO 0.70 -0.12 0.04 -1.54 -1.32 0.00 0.00 175.29 173.05 1ajw s SER 101 N -3.04 1.59 -0.35 12.60 1.04 -1.26 -4.22 113.70 120.06 1ajw s SER 101 Ca 0.16 -1.30 -0.11 0.00 0.48 0.00 0.00 55.95 55.18 1ajw s SER 101 Cb 0.07 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.26 1ajw s SER 101 CO -0.03 -0.62 0.20 -0.36 0.98 0.00 0.00 173.24 173.42 1ajw s PHE 102 N -3.56 3.22 -0.31 5.02 0.40 -0.51 -4.78 117.98 117.47 1ajw s PHE 102 Ca 0.33 -0.65 -0.21 0.00 -0.60 0.00 0.00 56.93 55.79 1ajw s PHE 102 Cb 0.07 -2.43 -0.01 0.00 0.51 0.00 0.00 43.02 41.17 1ajw s PHE 102 CO 0.11 -0.52 0.69 0.08 0.70 0.00 0.00 175.22 176.28 1ajw s VAL 103 N 1.62 4.88 0.04 -0.44 1.01 -1.24 0.11 120.40 126.37 1ajw s VAL 103 Ca 0.04 0.98 0.06 0.00 0.00 0.00 0.00 61.98 63.06 1ajw s VAL 103 Cb -0.18 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 1ajw s VAL 103 CO 0.07 -0.18 -0.17 -0.76 0.00 0.00 0.00 175.10 174.06 1ajw s LEU 104 N 2.74 2.16 0.40 3.92 1.43 0.29 -4.86 118.68 124.75 1ajw s LEU 104 Ca 0.28 -0.47 -0.26 0.00 -1.03 0.00 0.00 54.13 52.64 1ajw s LEU 104 Cb -0.15 -0.77 -0.09 0.00 0.03 0.00 0.00 46.19 45.21 1ajw s LEU 104 CO 0.12 0.10 1.32 -0.75 0.23 0.00 0.00 176.35 177.37 1ajw s LYS 105 N -1.11 4.02 -0.25 1.70 2.20 -1.26 0.10 119.74 125.15 1ajw s LYS 105 Ca 0.04 2.21 -0.30 0.00 -0.36 0.00 0.00 55.97 57.56 1ajw s LYS 105 Cb -0.08 -2.81 -0.07 0.00 -1.51 0.00 0.00 37.83 33.35 1ajw s LYS 105 CO 0.01 -0.47 2.20 -0.85 -0.36 0.00 0.00 175.35 175.88 1ajw n GLU 106 N 0.23 1.73 -0.22 4.03 0.28 0.12 -2.62 120.64 124.18 1ajw n GLU 106 Ca 0.03 0.48 0.00 0.00 -0.16 0.00 0.00 57.16 57.51 1ajw n GLU 106 Cb 0.43 -2.99 0.00 0.00 1.43 0.00 0.00 31.44 30.31 1ajw n GLU 106 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ajw n GLY 107 N 5.93 1.02 3.77 -1.84 0.00 -1.04 -4.73 105.19 108.30 1ajw n GLY 107 Ca 0.33 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.09 5.40 -0.72 1.61 -7.23 -1.08 -4.69 120.40 111.61 1ajw s VAL 108 Ca 0.00 0.28 -0.22 0.00 -1.81 0.00 0.00 61.98 60.22 1ajw s VAL 108 Cb 0.00 -3.49 0.07 0.00 0.56 0.00 0.00 36.38 33.53 1ajw s VAL 108 CO 0.00 0.49 1.04 -1.61 -0.31 0.00 0.00 175.10 174.70 1ajw s GLU 109 N -0.05 3.21 0.02 4.82 2.02 -1.26 -1.86 118.70 125.59 1ajw s GLU 109 Ca 0.12 -0.93 0.04 0.00 0.02 0.00 0.00 54.97 54.22 1ajw s GLU 109 Cb -0.12 -4.37 -0.03 0.00 0.10 0.00 0.00 34.13 29.70 1ajw s GLU 109 CO 0.01 -1.86 -0.09 1.52 0.02 0.00 0.00 175.26 174.86 1ajw s TYR 110 N 4.04 2.81 0.10 1.61 -0.85 -1.16 -4.70 117.35 119.20 1ajw s TYR 110 Ca 0.26 -0.09 0.04 0.00 -0.52 0.00 0.00 57.07 56.76 1ajw s TYR 110 Cb -0.14 -1.57 -0.04 0.00 0.38 0.00 0.00 41.96 40.59 1ajw s TYR 110 CO 0.07 0.35 0.06 0.50 -1.52 0.00 0.00 175.55 175.01 1ajw s ARG 111 N -1.47 2.78 0.10 -3.49 3.52 -1.13 -0.01 118.95 119.25 1ajw s ARG 111 Ca 0.17 -0.77 0.10 0.00 -0.13 0.00 0.00 55.73 55.10 1ajw s ARG 111 Cb -0.11 -2.65 -0.04 0.00 -1.56 0.00 0.00 34.95 30.59 1ajw s ARG 111 CO 0.08 0.54 -0.27 0.42 -0.81 0.00 0.00 175.30 175.26 1ajw s ILE 112 N -1.43 2.25 -0.40 4.11 1.01 -1.21 -2.70 121.20 122.83 1ajw s ILE 112 Ca 0.29 -1.64 0.01 0.00 0.00 0.00 0.00 60.65 59.31 1ajw s ILE 112 Cb -0.12 -1.96 0.12 0.00 0.01 0.00 0.00 42.46 40.52 1ajw s ILE 112 CO 0.21 0.17 0.19 -0.75 0.00 0.00 0.00 174.94 174.76 1ajw s LYS 113 N -1.82 1.12 0.52 2.79 2.20 -1.15 -0.85 119.74 122.54 1ajw s LYS 113 Ca 0.13 -1.72 -0.20 0.00 -0.36 0.00 0.00 55.97 53.82 1ajw s LYS 113 Cb -0.10 -2.26 -0.07 0.00 -1.51 0.00 0.00 37.83 33.89 1ajw s LYS 113 CO 0.05 -1.10 1.07 0.42 -0.36 0.00 0.00 175.35 175.43 1ajw s ILE 114 N 0.75 3.55 0.05 5.43 -1.09 0.28 -2.70 121.20 127.46 1ajw s ILE 114 Ca 0.15 0.94 0.07 0.00 -2.23 0.00 0.00 60.65 59.59 1ajw s ILE 114 Cb -0.22 -3.38 -0.03 0.00 -1.58 0.00 0.00 42.46 37.25 1ajw s ILE 114 CO -0.07 -0.23 -0.21 -0.44 -1.23 0.00 0.00 174.94 172.77 1ajw s SER 115 N -1.96 2.45 -0.28 3.58 0.01 -0.29 -0.78 113.70 116.43 1ajw s SER 115 Ca 0.69 -0.53 -0.22 0.00 1.31 0.00 0.00 55.95 57.20 1ajw s SER 115 Cb -0.19 -0.20 0.12 0.00 0.21 0.00 0.00 66.02 65.96 1ajw s SER 115 CO 0.24 0.15 0.94 0.72 0.41 0.00 0.00 173.24 175.70 1ajw s PHE 116 N -0.82 -0.61 0.19 2.43 -0.71 -0.71 1.00 117.98 118.75 1ajw s PHE 116 Ca 0.07 1.37 -0.18 0.00 -1.04 0.00 0.00 56.93 57.15 1ajw s PHE 116 Cb -0.09 0.37 -0.08 0.00 -1.21 0.00 0.00 43.02 42.02 1ajw s PHE 116 CO 0.02 -0.29 0.66 0.50 -1.34 0.00 0.00 175.22 174.77 1ajw s ARG 117 N 0.65 4.18 -0.51 1.99 3.52 -1.20 -1.03 118.95 126.56 1ajw s ARG 117 Ca -0.01 0.76 0.04 0.00 -0.13 0.00 0.00 55.73 56.38 1ajw s ARG 117 Cb -0.05 -2.93 0.16 0.00 -1.56 0.00 0.00 34.95 30.57 1ajw s ARG 117 CO -0.09 0.44 0.35 0.08 -0.81 0.00 0.00 175.30 175.28 1ajw s VAL 118 N -1.46 1.40 -0.37 7.11 1.01 -1.21 -3.75 120.40 123.13 1ajw s VAL 118 Ca 0.40 -3.08 0.12 0.00 0.00 0.00 0.00 61.98 59.42 1ajw s VAL 118 Cb -0.17 -1.95 0.44 0.00 0.00 0.00 0.00 36.38 34.71 1ajw s VAL 118 CO 0.20 -1.06 1.05 -3.20 0.00 0.00 0.00 175.10 172.09 1ajw n ASN 119 N 2.83 3.21 0.07 3.32 2.85 -1.19 -3.07 115.26 123.27 1ajw n ASN 119 Ca 0.20 -3.21 0.00 0.00 -0.11 0.00 0.00 54.58 51.46 1ajw n ASN 119 Cb 0.40 -0.48 0.00 0.00 1.24 0.00 0.00 39.78 40.94 1ajw n ASN 119 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 1ajw n ARG 120 N -0.33 0.00 -4.28 1.20 3.00 -1.26 -4.89 116.66 110.09 1ajw n ARG 120 Ca 0.25 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.95 1ajw n ARG 120 Cb 0.76 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 33.11 1ajw n ARG 120 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1ajw s GLU 121 N -1.36 1.34 -0.12 -0.14 -6.30 -1.26 -4.78 118.70 106.08 1ajw s GLU 121 Ca 0.00 -1.72 -0.30 0.00 -2.50 0.00 0.00 54.97 50.45 1ajw s GLU 121 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 34.13 34.01 1ajw s GLU 121 CO 0.00 -0.32 1.08 0.42 0.02 0.00 0.00 175.26 176.46 1ajw s ILE 122 N -3.87 4.58 -0.83 -3.70 1.01 -1.26 -3.70 121.20 113.43 1ajw s ILE 122 Ca 0.38 1.88 0.01 0.00 0.00 0.00 0.00 60.65 62.92 1ajw s ILE 122 Cb 0.08 -4.21 0.20 0.00 0.01 0.00 0.00 42.46 38.54 1ajw s ILE 122 CO 0.13 -0.04 0.68 -0.69 0.00 0.00 0.00 174.94 175.03 1ajw s VAL 123 N 2.36 3.83 -0.42 2.92 1.01 -1.18 -5.00 120.40 123.92 1ajw s VAL 123 Ca 0.50 -4.05 -0.29 0.00 0.00 0.00 0.00 61.98 58.14 1ajw s VAL 123 Cb -0.20 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 32.80 1ajw s VAL 123 CO 0.17 -1.06 1.13 -0.94 0.00 0.00 0.00 175.10 174.40 1ajw s SER 124 N -0.67 6.72 0.00 3.32 1.04 -1.26 -3.12 113.70 119.73 1ajw s SER 124 Ca 0.27 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.37 1ajw s SER 124 Cb -0.06 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.51 1ajw s SER 124 CO -0.14 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.54 1ajw n GLY 125 N 4.55 0.97 3.73 7.32 0.00 -0.73 -4.49 105.19 116.54 1ajw n GLY 125 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1ajw n GLY 125 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ajw s MET 126 N 0.06 4.16 0.07 1.61 -1.94 0.22 -0.32 119.30 123.17 1ajw s MET 126 Ca 0.00 2.50 0.06 0.00 -1.71 0.00 0.00 55.69 56.54 1ajw s MET 126 Cb 0.00 -3.08 -0.03 0.00 2.01 0.00 0.00 34.83 33.73 1ajw s MET 126 CO 0.00 -0.63 -0.17 0.21 -0.01 0.00 0.00 175.02 174.42 1ajw s LYS 127 N 0.35 0.99 -0.43 2.03 2.20 0.33 -0.96 119.74 124.25 1ajw s LYS 127 Ca 0.67 -0.99 0.02 0.00 -0.36 0.00 0.00 55.97 55.32 1ajw s LYS 127 Cb -0.47 -1.10 0.15 0.00 -1.51 0.00 0.00 37.83 34.90 1ajw s LYS 127 CO 0.39 0.26 0.27 -0.47 -0.36 0.00 0.00 175.35 175.44 1ajw s TYR 128 N -1.12 1.55 0.77 4.03 5.04 -0.81 -2.37 117.35 124.44 1ajw s TYR 128 Ca 0.02 -2.23 -0.10 0.00 -2.44 0.00 0.00 57.07 52.32 1ajw s TYR 128 Cb -0.09 -1.47 0.07 0.00 0.35 0.00 0.00 41.96 40.81 1ajw s TYR 128 CO 0.03 -0.79 1.12 0.42 -1.34 0.00 0.00 175.55 174.99 1ajw s ILE 129 N 0.38 2.28 -0.30 3.14 1.01 -1.19 -2.71 121.20 123.82 1ajw s ILE 129 Ca 0.21 -0.01 -0.13 0.00 0.00 0.00 0.00 60.65 60.72 1ajw s ILE 129 Cb -0.17 -3.07 0.15 0.00 0.01 0.00 0.00 42.46 39.38 1ajw s ILE 129 CO -0.04 -0.08 0.86 -1.58 0.00 0.00 0.00 174.94 174.09 1ajw s GLN 130 N -5.46 0.40 -0.22 2.79 0.74 -0.94 -2.76 119.66 114.21 1ajw s GLN 130 Ca 0.61 1.01 -0.08 0.00 0.05 0.00 0.00 55.36 56.94 1ajw s GLN 130 Cb -0.11 0.60 -0.04 0.00 1.10 0.00 0.00 33.01 34.56 1ajw s GLN 130 CO 0.48 -0.14 0.10 -1.01 -0.55 0.00 0.00 175.29 174.17 1ajw s HIS 131 N 2.59 3.20 -1.38 1.67 3.76 0.29 -2.65 115.29 122.78 1ajw s HIS 131 Ca -0.04 -0.05 -0.11 0.00 -0.15 0.00 0.00 55.06 54.72 1ajw s HIS 131 Cb -0.08 -2.20 0.10 0.00 1.11 0.00 0.00 32.58 31.51 1ajw s HIS 131 CO -0.18 -0.06 2.14 2.41 -0.85 0.00 0.00 174.74 178.21 1ajw n THR 132 N 4.27 4.09 -1.61 1.30 -1.04 0.35 -1.43 114.28 120.21 1ajw n THR 132 Ca -0.16 -3.73 -0.34 0.00 -2.04 0.00 0.00 64.05 57.78 1ajw n THR 132 Cb 0.52 -2.45 0.07 0.00 -1.82 0.00 0.00 70.33 66.65 1ajw n THR 132 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1ajw s TYR 133 N 1.43 2.33 -0.47 -1.42 2.02 -0.61 -3.73 117.35 116.88 1ajw s TYR 133 Ca 0.46 1.58 0.03 0.00 -0.37 0.00 0.00 57.07 58.77 1ajw s TYR 133 Cb 0.13 -3.33 0.15 0.00 -0.40 0.00 0.00 41.96 38.50 1ajw s TYR 133 CO -0.04 -2.16 0.30 0.50 -1.57 0.00 0.00 175.55 172.58 1ajw s ARG 134 N -3.96 1.37 -1.04 -0.62 3.52 0.19 -1.38 118.95 117.03 1ajw s ARG 134 Ca 0.71 -2.21 -0.13 0.00 -0.13 0.00 0.00 55.73 53.97 1ajw s ARG 134 Cb -0.25 -2.27 -0.03 0.00 -1.56 0.00 0.00 34.95 30.84 1ajw s ARG 134 CO 0.43 -1.23 0.81 1.17 -0.81 0.00 0.00 175.30 175.67 1ajw n LYS 135 N 3.17 -1.55 -2.64 5.12 3.00 -1.26 -2.83 118.16 121.16 1ajw n LYS 135 Ca 0.15 0.74 -0.08 0.00 -0.00 0.00 0.00 58.31 59.11 1ajw n LYS 135 Cb 0.37 -4.73 0.02 0.00 0.00 0.00 0.00 35.03 30.69 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 -1.56 0.29 3.13 3.14 0.00 -1.26 -5.04 105.19 103.90 1ajw n GLY 136 Ca -0.09 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.86 0.05 -0.23 1.61 1.01 -1.13 -5.14 120.40 113.71 1ajw s VAL 137 Ca 0.14 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 1ajw s VAL 137 Cb -0.06 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 1ajw s VAL 137 CO 0.17 -0.24 0.03 -0.75 0.00 0.00 0.00 175.10 174.31 1ajw s LYS 138 N -0.92 3.58 0.00 2.72 2.36 -1.26 0.56 119.74 126.77 1ajw s LYS 138 Ca -0.10 -0.52 0.00 0.00 -2.55 0.00 0.00 55.97 52.80 1ajw s LYS 138 Cb -0.05 -3.19 0.00 0.00 -1.05 0.00 0.00 37.83 33.53 1ajw s LYS 138 CO 0.02 -0.15 0.00 0.44 1.55 0.00 0.00 175.35 177.21 1ajw n ILE 139 N 4.75 0.00 -3.50 5.43 -6.64 -1.24 -4.97 119.36 113.17 1ajw n ILE 139 Ca -0.17 0.00 -0.15 0.00 -1.77 0.00 0.00 62.75 60.66 1ajw n ILE 139 Cb 0.51 -0.39 -0.05 0.00 -1.44 0.00 0.00 39.64 38.28 1ajw n ILE 139 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 1ajw s ASP 140 N -2.30 -0.57 -0.29 7.28 2.15 -1.25 -5.01 116.67 116.66 1ajw s ASP 140 Ca 0.00 0.45 -0.21 0.00 0.43 0.00 0.00 52.55 53.22 1ajw s ASP 140 Cb 0.00 0.51 0.18 0.00 -0.30 0.00 0.00 42.92 43.31 1ajw s ASP 140 CO 0.00 -0.66 1.27 -1.59 -0.17 0.00 0.00 175.17 174.02 1ajw s LYS 141 N -1.92 0.17 0.21 4.34 -2.85 -1.26 0.13 119.74 118.56 1ajw s LYS 141 Ca -0.06 0.23 -0.07 0.00 -1.00 0.00 0.00 55.97 55.07 1ajw s LYS 141 Cb -0.00 0.06 -0.02 0.00 -2.06 0.00 0.00 37.83 35.81 1ajw s LYS 141 CO 0.02 -0.03 0.30 0.99 0.10 0.00 0.00 175.35 176.73 1ajw s THR 142 N 0.51 0.02 0.11 3.79 2.01 -1.08 -4.98 115.64 116.01 1ajw s THR 142 Ca 0.00 -1.64 0.05 0.00 0.31 0.00 0.00 61.69 60.42 1ajw s THR 142 Cb -0.04 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 1ajw s THR 142 CO -0.12 -0.08 0.02 -1.81 -0.69 0.00 0.00 174.62 171.93 1ajw s ASP 143 N -3.06 5.09 -0.11 3.53 1.11 -1.26 -2.21 116.67 119.76 1ajw s ASP 143 Ca 0.27 -0.18 0.03 0.00 0.18 0.00 0.00 52.55 52.86 1ajw s ASP 143 Cb 0.03 -1.23 0.00 0.00 1.07 0.00 0.00 42.92 42.80 1ajw s ASP 143 CO 0.08 0.15 -0.23 -0.31 1.18 0.00 0.00 175.17 176.04 1ajw s TYR 144 N -1.41 2.60 -0.47 4.23 1.51 -1.10 -4.92 117.35 117.78 1ajw s TYR 144 Ca 0.27 -1.13 -0.23 0.00 -1.01 0.00 0.00 57.07 54.96 1ajw s TYR 144 Cb -0.11 -1.75 0.03 0.00 -0.11 0.00 0.00 41.96 40.02 1ajw s TYR 144 CO 0.19 -0.48 0.83 1.41 -1.11 0.00 0.00 175.55 176.40 1ajw s MET 145 N 0.49 3.40 0.00 -0.62 1.75 -1.26 -1.92 119.30 121.13 1ajw s MET 145 Ca -0.15 -0.13 0.00 0.00 -1.25 0.00 0.00 55.69 54.16 1ajw s MET 145 Cb -0.17 -3.97 0.00 0.00 2.84 0.00 0.00 34.83 33.53 1ajw s MET 145 CO 0.05 -1.21 0.00 0.28 -0.65 0.00 0.00 175.02 173.49 1ajw n VAL 146 N 6.17 0.00 -3.72 10.11 0.31 -0.13 -5.02 118.33 126.05 1ajw n VAL 146 Ca 0.02 0.42 0.00 0.00 -0.01 0.00 0.00 64.34 64.78 1ajw n VAL 146 Cb 0.48 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 1ajw n VAL 146 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ajw n GLY 147 N 1.94 -0.98 3.26 2.92 0.00 -1.23 -4.94 105.19 106.16 1ajw n GLY 147 Ca 0.00 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 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 -4.00 2.95 0.19 1.61 1.04 -1.26 0.72 113.70 114.94 1ajw s SER 148 Ca 0.00 -0.49 0.01 0.00 0.48 0.00 0.00 55.95 55.95 1ajw s SER 148 Cb 0.00 -0.74 -0.00 0.00 0.10 0.00 0.00 66.02 65.37 1ajw s SER 148 CO 0.00 0.24 0.04 -1.22 0.98 0.00 0.00 173.24 173.28 1ajw n TYR 149 N 2.90 0.23 -4.13 5.02 4.01 -1.18 -4.91 117.16 119.10 1ajw n TYR 149 Ca -0.17 -1.06 -0.09 0.00 -0.16 0.00 0.00 57.90 56.42 1ajw n TYR 149 Cb 0.52 -0.06 -0.10 0.00 -0.31 0.00 0.00 39.34 39.39 1ajw n TYR 149 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1ajw s GLY 150 N -2.09 0.78 -0.83 2.72 0.00 -1.26 -3.12 107.32 103.53 1ajw s GLY 150 Ca 0.05 -1.36 -0.16 0.00 0.00 0.00 0.00 44.72 43.25 1ajw s GLY 150 CO 0.04 -1.35 1.99 -1.55 0.00 0.00 0.00 173.10 172.22 1ajw n PRO 151 N -0.01 1.72 0.00 2.90 -0.04 -1.24 -4.72 135.00 133.60 1ajw n PRO 151 Ca -0.09 -1.70 0.00 0.00 -0.04 0.00 0.00 63.50 61.67 1ajw n PRO 151 Cb 0.62 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 1ajw n PRO 151 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1ajw n ARG 152 N 5.94 0.00 0.00 0.54 3.00 -1.17 -4.70 116.66 120.27 1ajw n ARG 152 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.32 1ajw n ARG 152 Cb 0.30 -0.58 0.00 0.00 0.00 0.00 0.00 32.46 32.18 1ajw n ARG 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ajw n ALA 153 N -1.58 0.00 -2.44 5.13 0.00 -1.25 -4.94 120.51 115.43 1ajw n ALA 153 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1ajw n ALA 153 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1ajw n ALA 153 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ajw n GLU 154 N -0.37 0.63 -3.97 0.00 2.13 -1.26 -4.81 120.64 112.99 1ajw n GLU 154 Ca 0.00 -0.31 -0.34 0.00 0.66 0.00 0.00 57.16 57.16 1ajw n GLU 154 Cb 0.00 -0.06 -0.06 0.00 0.27 0.00 0.00 31.44 31.59 1ajw n GLU 154 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1ajw s GLU 155 N -2.60 3.33 0.17 5.31 2.12 -1.26 -3.35 118.70 122.41 1ajw s GLU 155 Ca 0.07 -0.32 0.06 0.00 0.36 0.00 0.00 54.97 55.14 1ajw s GLU 155 Cb -0.00 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.30 1ajw s GLU 155 CO 0.05 0.69 0.07 0.71 -0.54 0.00 0.00 175.26 176.24 1ajw s TYR 156 N -1.21 3.02 -0.04 5.30 2.02 -0.20 -4.94 117.35 121.31 1ajw s TYR 156 Ca 0.23 -0.07 0.03 0.00 -0.37 0.00 0.00 57.07 56.90 1ajw s TYR 156 Cb -0.12 -1.46 0.00 0.00 -0.40 0.00 0.00 41.96 39.98 1ajw s TYR 156 CO 0.13 0.52 -0.13 -1.21 -1.57 0.00 0.00 175.55 173.29 1ajw s GLU 157 N -3.01 1.42 -0.13 -0.62 2.02 -1.26 -1.73 118.70 115.38 1ajw s GLU 157 Ca 0.29 -0.47 -0.06 0.00 0.02 0.00 0.00 54.97 54.76 1ajw s GLU 157 Cb -0.10 -1.26 -0.04 0.00 0.10 0.00 0.00 34.13 32.83 1ajw s GLU 157 CO 0.21 0.18 0.07 0.12 0.02 0.00 0.00 175.26 175.86 1ajw s PHE 158 N 0.14 3.34 -0.20 1.61 5.36 0.04 -4.91 117.98 123.36 1ajw s PHE 158 Ca -0.04 0.26 0.02 0.00 -0.96 0.00 0.00 56.93 56.21 1ajw s PHE 158 Cb -0.10 -1.95 0.03 0.00 -0.34 0.00 0.00 43.02 40.66 1ajw s PHE 158 CO 0.01 0.44 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.54 1ajw s LEU 159 N -0.46 2.51 0.37 6.12 1.43 -1.26 0.10 118.68 127.49 1ajw s LEU 159 Ca 0.10 -0.89 -0.12 0.00 -1.03 0.00 0.00 54.13 52.20 1ajw s LEU 159 Cb -0.12 -1.45 -0.07 0.00 0.03 0.00 0.00 46.19 44.58 1ajw s LEU 159 CO 0.02 -0.08 0.74 0.42 0.23 0.00 0.00 176.35 177.68 1ajw s THR 160 N 1.26 4.77 0.88 5.49 -4.23 -0.03 -4.96 115.64 118.82 1ajw s THR 160 Ca 0.00 0.69 -0.11 0.00 -1.18 0.00 0.00 61.69 61.09 1ajw s THR 160 Cb -0.15 -3.69 0.12 0.00 1.34 0.00 0.00 72.50 70.12 1ajw s THR 160 CO -0.10 -0.39 1.10 -2.16 -0.54 0.00 0.00 174.62 172.53 1ajw s PRO 161 N -3.52 1.36 0.04 3.99 0.04 -1.26 -3.33 135.00 132.33 1ajw s PRO 161 Ca 0.52 1.10 -0.32 0.00 0.04 0.00 0.00 61.00 62.33 1ajw s PRO 161 Cb -0.10 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.52 1ajw s PRO 161 CO 0.26 -2.25 1.83 0.00 0.04 0.00 0.00 177.00 176.89 1ajw n MET 162 N -3.93 2.49 -3.79 4.56 0.00 -1.26 -4.56 117.12 110.64 1ajw n MET 162 Ca 0.08 0.91 -0.37 0.00 0.00 0.00 0.00 57.70 58.32 1ajw n MET 162 Cb 0.54 -2.78 -0.13 0.00 0.00 0.00 0.00 33.22 30.85 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 3.19 2.99 0.05 3.17 2.12 0.98 -4.77 118.70 126.43 1ajw s GLU 163 Ca 0.86 -0.92 -0.31 0.00 0.36 0.00 0.00 54.97 54.97 1ajw s GLU 163 Cb -0.58 -3.33 -0.07 0.00 0.26 0.00 0.00 34.13 30.41 1ajw s GLU 163 CO 0.43 -0.47 1.41 -1.83 -0.54 0.00 0.00 175.26 174.26 1ajw s GLU 164 N 1.46 4.30 1.08 4.30 -1.05 -1.26 -3.01 118.70 124.52 1ajw s GLU 164 Ca 0.02 2.02 -0.15 0.00 -0.15 0.00 0.00 54.97 56.71 1ajw s GLU 164 Cb -0.17 -3.45 0.23 0.00 -0.44 0.00 0.00 34.13 30.29 1ajw s GLU 164 CO 0.02 -0.52 1.10 0.00 0.95 0.00 0.00 175.26 176.80 1ajw s ALA 165 N 1.90 0.76 0.48 -0.84 0.00 -0.78 -4.87 121.76 118.41 1ajw s ALA 165 Ca 0.65 -0.59 -0.22 0.00 0.00 0.00 0.00 51.96 51.80 1ajw s ALA 165 Cb -0.34 -3.03 -0.07 0.00 0.00 0.00 0.00 23.12 19.68 1ajw s ALA 165 CO 0.28 -3.16 1.13 -1.25 0.00 0.00 0.00 175.76 172.77 1ajw s PRO 166 N -5.12 3.71 0.49 0.00 0.04 -1.26 -3.75 135.00 129.11 1ajw s PRO 166 Ca 0.67 1.67 0.04 0.00 0.04 0.00 0.00 61.00 63.43 1ajw s PRO 166 Cb -0.16 -2.30 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 1ajw s PRO 166 CO 0.57 -0.57 0.15 0.15 0.04 0.00 0.00 177.00 177.34 1ajw s LYS 167 N -2.86 2.19 0.00 4.56 1.02 -1.26 -2.49 119.74 120.90 1ajw s LYS 167 Ca 0.65 -2.14 0.00 0.00 0.02 0.00 0.00 55.97 54.50 1ajw s LYS 167 Cb -0.26 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.26 1ajw s LYS 167 CO 0.31 -0.34 0.00 0.41 -0.92 0.00 0.00 175.35 174.81 1ajw n GLY 168 N -1.36 2.40 0.26 -3.33 0.00 -1.26 -4.30 105.19 97.60 1ajw n GLY 168 Ca -0.09 -1.69 -0.08 0.00 0.00 0.00 0.00 46.02 44.16 1ajw n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ajw h MET 169 N 0.00 -0.21 -0.20 1.61 -0.00 -1.99 0.50 114.93 114.65 1ajw h MET 169 Ca 0.00 0.01 0.06 0.00 -0.00 0.00 0.00 59.70 59.77 1ajw h MET 169 Cb 0.00 0.05 -0.01 0.00 -0.00 0.00 0.00 31.60 31.64 1ajw h MET 169 CO 0.00 -0.14 0.17 1.25 -0.00 0.00 0.00 176.91 178.19 1ajw h LEU 170 N -0.21 0.00 -2.32 -0.10 6.46 -2.02 -0.75 115.31 116.37 1ajw h LEU 170 Ca 0.15 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.94 1ajw h LEU 170 Cb 0.44 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1ajw h LEU 170 CO -0.40 0.00 0.20 0.00 -0.62 0.00 0.00 178.44 177.63 1ajw h ALA 171 N 1.85 1.56 -2.47 1.25 0.00 -1.07 -3.41 119.26 116.96 1ajw h ALA 171 Ca 0.09 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.47 1ajw h ALA 171 Cb 0.43 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.25 1ajw h ALA 171 CO -0.00 -0.26 0.86 1.03 0.00 0.00 0.00 179.25 180.88 1ajw s ARG 172 N -4.42 4.26 0.00 0.00 0.52 -0.29 -4.66 118.95 114.36 1ajw s ARG 172 Ca -0.04 2.15 0.00 0.00 -0.52 0.00 0.00 55.73 57.32 1ajw s ARG 172 Cb 0.13 -3.45 0.00 0.00 0.52 0.00 0.00 34.95 32.16 1ajw s ARG 172 CO 0.46 -0.59 0.00 0.41 0.02 0.00 0.00 175.30 175.60 1ajw n GLY 173 N 3.72 0.20 3.78 -3.53 0.00 -1.19 -4.89 105.19 103.28 1ajw n GLY 173 Ca 0.14 -1.46 -0.38 0.00 0.00 0.00 0.00 46.02 44.32 1ajw n GLY 173 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ajw s SER 174 N 0.00 6.81 -0.17 1.61 1.04 -1.26 -1.03 113.70 120.70 1ajw s SER 174 Ca 0.00 0.97 -0.00 0.00 0.48 0.00 0.00 55.95 57.39 1ajw s SER 174 Cb 0.00 -2.29 0.04 0.00 0.10 0.00 0.00 66.02 63.87 1ajw s SER 174 CO 0.00 0.18 -0.05 -0.31 0.98 0.00 0.00 173.24 174.03 1ajw s TYR 175 N -0.37 1.80 0.58 5.02 1.51 -0.49 -4.46 117.35 120.94 1ajw s TYR 175 Ca 0.26 -1.17 -0.20 0.00 -1.01 0.00 0.00 57.07 54.95 1ajw s TYR 175 Cb -0.17 -1.35 -0.04 0.00 -0.11 0.00 0.00 41.96 40.29 1ajw s TYR 175 CO 0.13 -0.64 1.27 1.21 -1.11 0.00 0.00 175.55 176.42 1ajw s ASN 176 N 1.60 5.18 -0.32 2.29 3.84 -0.48 0.10 114.94 127.15 1ajw s ASN 176 Ca 0.00 2.56 0.02 0.00 0.21 0.00 0.00 52.86 55.66 1ajw s ASN 176 Cb -0.16 -2.62 0.09 0.00 -0.55 0.00 0.00 41.25 38.02 1ajw s ASN 176 CO -0.08 -1.62 0.04 -0.63 -2.79 0.00 0.00 177.10 172.03 1ajw s ILE 177 N -1.44 1.78 -0.55 -5.21 -1.09 0.13 -1.57 121.20 113.25 1ajw s ILE 177 Ca 0.75 -1.91 -0.21 0.00 -2.23 0.00 0.00 60.65 57.06 1ajw s ILE 177 Cb -0.35 -2.27 0.06 0.00 -1.58 0.00 0.00 42.46 38.32 1ajw s ILE 177 CO 0.40 -0.54 0.75 -0.75 -1.23 0.00 0.00 174.94 173.58 1ajw s LYS 178 N 1.17 3.16 -0.00 2.79 2.47 -0.52 -3.00 119.74 125.81 1ajw s LYS 178 Ca 0.08 -0.80 0.05 0.00 -1.56 0.00 0.00 55.97 53.73 1ajw s LYS 178 Cb -0.19 -4.13 -0.03 0.00 -1.46 0.00 0.00 37.83 32.02 1ajw s LYS 178 CO -0.13 -1.41 -0.13 -1.12 0.16 0.00 0.00 175.35 172.72 1ajw s SER 179 N 3.00 4.12 -0.41 1.43 0.01 -1.19 0.10 113.70 120.77 1ajw s SER 179 Ca 0.19 -0.26 0.03 0.00 1.31 0.00 0.00 55.95 57.22 1ajw s SER 179 Cb -0.18 -0.83 0.11 0.00 0.21 0.00 0.00 66.02 65.33 1ajw s SER 179 CO 0.12 0.30 0.15 -0.60 0.41 0.00 0.00 173.24 173.62 1ajw s ARG 180 N -1.17 1.48 -1.39 12.44 3.52 -1.11 -3.01 118.95 129.70 1ajw s ARG 180 Ca 0.14 -2.00 -0.15 0.00 -0.13 0.00 0.00 55.73 53.59 1ajw s ARG 180 Cb -0.11 -2.91 0.06 0.00 -1.56 0.00 0.00 34.95 30.44 1ajw s ARG 180 CO 0.04 -1.04 2.03 0.34 -0.81 0.00 0.00 175.30 175.87 1ajw n PHE 181 N 3.88 3.92 -3.71 5.12 7.35 -1.01 -3.14 117.46 129.87 1ajw n PHE 181 Ca 0.04 -2.93 0.00 0.00 -0.76 0.00 0.00 57.45 53.80 1ajw n PHE 181 Cb 0.38 -2.55 0.00 0.00 0.35 0.00 0.00 39.48 37.65 1ajw n PHE 181 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 1ajw n THR 182 N 5.45 0.00 -1.37 -2.13 5.66 -1.00 -3.47 114.28 117.42 1ajw n THR 182 Ca 0.50 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.50 1ajw n THR 182 Cb 0.41 -0.17 0.00 0.00 -1.55 0.00 0.00 70.33 69.02 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 -1.19 0.00 0.30 1.09 5.75 -1.26 0.12 116.55 121.37 1ajw n ASP 183 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.60 1ajw n ASP 183 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 1ajw n ASP 183 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1ajw h ASP 184 N 0.00 -1.38 0.00 -1.12 5.19 -0.89 -3.40 116.42 114.82 1ajw h ASP 184 Ca 0.00 0.11 -0.05 0.00 -0.62 0.00 0.00 57.03 56.47 1ajw h ASP 184 Cb 0.00 0.45 -0.05 0.00 0.18 0.00 0.00 39.33 39.91 1ajw h ASP 184 CO 0.00 -0.67 -0.11 -0.90 -3.12 0.00 0.00 179.24 174.43 1ajw n ASP 185 N -5.53 -0.38 0.09 6.45 5.68 -1.26 -4.99 116.55 116.61 1ajw n ASP 185 Ca -0.12 -0.78 -0.15 0.00 -0.50 0.00 0.00 54.79 53.24 1ajw n ASP 185 Cb 0.47 0.12 -0.09 0.00 -1.14 0.00 0.00 41.12 40.47 1ajw n ASP 185 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1ajw h ARG 186 N 0.00 0.33 0.00 0.11 2.47 -1.98 -3.49 114.38 111.82 1ajw h ARG 186 Ca -0.22 -0.45 0.00 0.00 -1.26 0.00 0.00 59.98 58.05 1ajw h ARG 186 Cb 0.85 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 29.32 1ajw h ARG 186 CO -0.11 1.16 0.00 -2.37 0.56 0.00 0.00 179.97 179.21 1ajw n THR 187 N -3.64 0.00 -3.92 2.04 5.66 -1.26 -5.12 114.28 108.04 1ajw n THR 187 Ca -0.08 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.58 1ajw n THR 187 Cb 0.93 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.57 1ajw n THR 187 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1ajw s ASP 188 N 1.63 4.86 -0.02 1.09 -4.77 -1.26 -4.47 116.67 113.73 1ajw s ASP 188 Ca 0.00 -1.31 -0.01 0.00 -3.30 0.00 0.00 52.55 47.93 1ajw s ASP 188 Cb 0.00 -1.70 -0.00 0.00 -1.09 0.00 0.00 42.92 40.13 1ajw s ASP 188 CO 0.00 -0.26 0.12 0.45 0.70 0.00 0.00 175.17 176.18 1ajw h HIS 189 N 7.97 -0.03 -4.13 2.11 3.86 -1.85 -3.49 115.15 119.60 1ajw h HIS 189 Ca -0.21 -0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 58.87 1ajw h HIS 189 Cb 1.06 0.01 -0.14 0.00 1.06 0.00 0.00 27.41 29.40 1ajw h HIS 189 CO 0.61 -0.02 -0.48 -1.17 0.86 0.00 0.00 177.93 177.73 1ajw s LEU 190 N -5.05 1.42 -0.29 2.43 1.98 -1.23 -4.88 118.68 113.07 1ajw s LEU 190 Ca -0.00 -1.00 -0.21 0.00 -2.89 0.00 0.00 54.13 50.02 1ajw s LEU 190 Cb 0.00 0.75 0.13 0.00 0.66 0.00 0.00 46.19 47.73 1ajw s LEU 190 CO 0.01 -0.80 1.02 -0.55 -1.89 0.00 0.00 176.35 174.14 1ajw s SER 191 N -2.99 -0.47 0.10 3.68 0.15 -1.26 -2.40 113.70 110.50 1ajw s SER 191 Ca 0.19 0.83 0.01 0.00 0.70 0.00 0.00 55.95 57.67 1ajw s SER 191 Cb 0.05 1.00 -0.00 0.00 -1.71 0.00 0.00 66.02 65.37 1ajw s SER 191 CO -0.01 -0.14 0.12 -2.67 1.20 0.00 0.00 173.24 171.75 1ajw n TRP 192 N 2.89 -0.54 -3.67 3.44 2.14 -1.16 -5.04 117.44 115.50 1ajw n TRP 192 Ca -0.15 -0.74 -0.09 0.00 2.07 0.00 0.00 57.50 58.59 1ajw n TRP 192 Cb 0.57 0.13 -0.09 0.00 -0.81 0.00 0.00 31.31 31.11 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 -2.30 0.43 0.02 -2.67 -1.05 -1.26 -3.16 118.70 108.72 1ajw s GLU 193 Ca 0.10 0.99 0.03 0.00 -0.15 0.00 0.00 54.97 55.93 1ajw s GLU 193 Cb 0.00 0.19 -0.02 0.00 -0.44 0.00 0.00 34.13 33.86 1ajw s GLU 193 CO 0.07 -0.19 -0.08 1.67 0.95 0.00 0.00 175.26 177.67 1ajw s TRP 194 N 1.96 0.74 0.36 4.83 1.48 -1.16 -4.20 118.94 122.94 1ajw s TRP 194 Ca -0.07 -0.31 -0.23 0.00 -1.06 0.00 0.00 56.10 54.43 1ajw s TRP 194 Cb -0.09 -0.45 -0.10 0.00 -1.16 0.00 0.00 33.47 31.66 1ajw s TRP 194 CO -0.14 -0.03 0.92 -0.80 -4.06 0.00 0.00 176.95 172.84 1ajw s ASN 195 N -0.93 7.14 -0.44 -2.66 -0.87 -1.26 0.22 114.94 116.14 1ajw s ASN 195 Ca -0.03 1.73 0.04 0.00 -1.57 0.00 0.00 52.86 53.03 1ajw s ASN 195 Cb -0.07 -2.54 0.12 0.00 -0.02 0.00 0.00 41.25 38.74 1ajw s ASN 195 CO 0.00 -0.18 0.17 -0.22 -2.57 0.00 0.00 177.10 174.30 1ajw s LEU 196 N -2.52 4.46 0.47 0.60 2.96 0.28 -1.42 118.68 123.51 1ajw s LEU 196 Ca 0.54 -2.63 -0.21 0.00 -0.22 0.00 0.00 54.13 51.61 1ajw s LEU 196 Cb -0.14 -1.62 -0.08 0.00 0.50 0.00 0.00 46.19 44.85 1ajw s LEU 196 CO 0.19 -0.30 1.08 -0.89 -1.32 0.00 0.00 176.35 175.11 1ajw s THR 197 N 0.24 3.55 -0.04 3.68 2.01 0.29 -1.39 115.64 123.98 1ajw s THR 197 Ca 0.14 1.04 0.05 0.00 0.31 0.00 0.00 61.69 63.24 1ajw s THR 197 Cb -0.23 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 1ajw s THR 197 CO -0.04 -0.13 -0.20 -0.63 -0.69 0.00 0.00 174.62 172.93 1ajw s ILE 198 N -1.80 1.61 0.00 1.82 -1.09 -0.20 -0.55 121.20 120.99 1ajw s ILE 198 Ca 0.66 -0.83 0.00 0.00 -2.23 0.00 0.00 60.65 58.25 1ajw s ILE 198 Cb -0.21 -1.37 0.00 0.00 -1.58 0.00 0.00 42.46 39.30 1ajw s ILE 198 CO 0.25 0.46 0.00 1.17 -1.23 0.00 0.00 174.94 175.59 1ajw n LYS 199 N 3.02 2.25 0.00 2.79 4.81 0.29 -3.15 118.16 128.16 1ajw n LYS 199 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 1ajw n LYS 199 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 1ajw n LYS 199 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1ajw n LYS 200 N 0.00 3.42 -2.99 1.64 3.00 -1.26 0.11 118.16 122.07 1ajw n LYS 200 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.15 1ajw n LYS 200 Cb 0.00 -0.95 -0.01 0.00 0.00 0.00 0.00 35.03 34.07 1ajw n LYS 200 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1ajw n GLU 201 N -1.87 1.23 0.20 1.64 2.13 -1.26 -4.72 120.64 118.00 1ajw n GLU 201 Ca 0.00 -3.46 0.14 0.00 0.66 0.00 0.00 57.16 54.50 1ajw n GLU 201 Cb 0.45 -1.62 0.73 0.00 0.27 0.00 0.00 31.44 31.27 1ajw n GLU 201 CO 0.00 0.00 0.00 0.11 -0.41 0.00 0.00 177.13 176.83 1ajw h TRP 202 N 2.99 0.00 -0.83 4.31 5.08 -1.91 -2.27 115.95 123.32 1ajw h TRP 202 Ca 0.05 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.52 1ajw h TRP 202 Cb 1.00 0.00 -0.25 0.00 -3.00 0.00 0.00 29.16 26.92 1ajw h TRP 202 CO 0.51 0.00 0.64 0.36 -1.28 0.00 0.00 178.44 178.67 1ajw n LYS 203 N -2.46 2.23 0.00 0.12 2.85 -1.26 -4.71 118.16 114.93 1ajw n LYS 203 Ca -0.02 -2.61 0.08 0.00 -1.05 0.00 0.00 58.31 54.71 1ajw n LYS 203 Cb 0.06 -2.03 0.47 0.00 -0.65 0.00 0.00 35.03 32.89 1ajw n LYS 203 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95