#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 2.89 -0.49 0.00 1.01 -1.26 -4.98 120.40 117.58 1ajw s VAL 61 Ca 0.00 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.19 1ajw s VAL 61 Cb 0.00 -3.27 0.54 0.00 0.00 0.00 0.00 36.38 33.65 1ajw s VAL 61 CO 0.00 -0.34 1.80 -1.20 0.00 0.00 0.00 175.10 175.37 1ajw n SER 62 N -3.05 5.13 0.00 3.32 7.64 -1.26 -4.34 113.62 121.06 1ajw n SER 62 Ca 0.07 -3.73 0.00 0.00 1.01 0.00 0.00 58.87 56.22 1ajw n SER 62 Cb 0.59 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 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 -1.01 1.55 -3.53 -0.43 0.00 -1.26 -5.04 120.51 110.79 1ajw n ALA 63 Ca 0.55 -0.59 -0.23 0.00 0.00 0.00 0.00 53.44 53.16 1ajw n ALA 63 Cb 1.10 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.59 1ajw n ALA 63 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ajw n ASP 64 N -0.18 -5.90 0.00 0.00 8.00 -1.26 -4.98 116.55 112.24 1ajw n ASP 64 Ca 0.00 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.70 1ajw n ASP 64 Cb 0.25 -3.75 0.00 0.00 -0.02 0.00 0.00 41.12 37.60 1ajw n ASP 64 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1ajw n PRO 65 N -3.43 0.00 -0.68 -0.24 -0.04 -1.26 -5.00 135.00 124.35 1ajw n PRO 65 Ca -0.10 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.45 1ajw n PRO 65 Cb 0.59 -0.44 -0.02 0.00 -0.04 0.00 0.00 33.50 33.59 1ajw n PRO 65 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ajw n ASN 66 N -0.25 -4.84 -3.30 3.54 4.13 -1.26 -4.63 115.26 108.65 1ajw n ASN 66 Ca 0.00 0.73 -0.25 0.00 1.68 0.00 0.00 54.58 56.74 1ajw n ASN 66 Cb 0.00 -2.20 -0.08 0.00 -1.54 0.00 0.00 39.78 35.96 1ajw n ASN 66 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1ajw n VAL 67 N -2.41 0.52 -1.30 2.41 3.14 -1.26 -5.11 118.33 114.32 1ajw n VAL 67 Ca 0.00 -4.48 -0.29 0.00 -2.96 0.00 0.00 64.34 56.61 1ajw n VAL 67 Cb 0.31 -2.01 0.18 0.00 -1.06 0.00 0.00 33.84 31.26 1ajw n VAL 67 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1ajw s PRO 68 N -1.65 0.16 -0.16 1.45 0.04 -1.26 -5.04 135.00 128.54 1ajw s PRO 68 Ca 0.37 0.22 -0.15 0.00 0.04 0.00 0.00 61.00 61.47 1ajw s PRO 68 Cb 0.15 -1.73 -0.05 0.00 0.04 0.00 0.00 34.50 32.91 1ajw s PRO 68 CO -0.08 -2.85 -0.30 -1.71 0.04 0.00 0.00 177.00 172.11 1ajw n ASN 69 N -4.20 1.79 -4.59 6.66 5.15 -1.26 -4.88 115.26 113.93 1ajw n ASN 69 Ca 0.08 0.37 -0.34 0.00 -0.60 0.00 0.00 54.58 54.10 1ajw n ASN 69 Cb 0.59 -0.75 -0.11 0.00 -0.53 0.00 0.00 39.78 38.97 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 -2.66 3.75 -0.08 3.44 1.01 -1.26 -3.11 120.40 121.49 1ajw s VAL 70 Ca -0.24 -0.47 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 1ajw s VAL 70 Cb 0.03 -2.54 0.03 0.00 0.00 0.00 0.00 36.38 33.90 1ajw s VAL 70 CO 0.36 0.60 0.33 -0.69 0.00 0.00 0.00 175.10 175.69 1ajw s VAL 71 N -0.82 0.02 -0.59 2.92 1.01 -1.23 -4.58 120.40 117.12 1ajw s VAL 71 Ca 0.13 -0.20 -0.26 0.00 0.00 0.00 0.00 61.98 61.64 1ajw s VAL 71 Cb -0.11 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 1ajw s VAL 71 CO 0.02 -0.11 1.94 -0.69 0.00 0.00 0.00 175.10 176.26 1ajw s VAL 72 N -0.44 3.30 0.06 2.92 1.01 -1.26 -3.29 120.40 122.71 1ajw s VAL 72 Ca -0.06 0.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.92 1ajw s VAL 72 Cb -0.04 -3.81 -0.12 0.00 0.00 0.00 0.00 36.38 32.42 1ajw s VAL 72 CO 0.02 -0.78 1.36 0.71 0.00 0.00 0.00 175.10 176.41 1ajw h THR 73 N 7.00 1.33 -3.06 3.92 1.35 -1.67 -3.38 112.91 118.41 1ajw h THR 73 Ca -0.26 -1.43 0.02 0.00 -0.55 0.00 0.00 66.41 64.19 1ajw h THR 73 Cb 1.18 1.80 -0.03 0.00 -1.73 0.00 0.00 68.15 69.36 1ajw h THR 73 CO 1.21 0.44 0.22 -0.13 -0.25 0.00 0.00 175.52 177.01 1ajw s ARG 74 N -4.25 1.97 0.14 4.72 0.52 -0.77 -3.11 118.95 118.16 1ajw s ARG 74 Ca -0.13 -1.21 -0.06 0.00 -0.52 0.00 0.00 55.73 53.81 1ajw s ARG 74 Cb 0.07 0.61 -0.02 0.00 0.52 0.00 0.00 34.95 36.12 1ajw s ARG 74 CO 0.79 -0.91 0.17 -1.17 0.02 0.00 0.00 175.30 174.21 1ajw s LEU 75 N -3.00 1.40 0.15 2.53 0.20 -0.99 -1.99 118.68 116.99 1ajw s LEU 75 Ca 0.14 -0.98 -0.13 0.00 0.69 0.00 0.00 54.13 53.85 1ajw s LEU 75 Cb -0.05 0.79 0.01 0.00 -0.43 0.00 0.00 46.19 46.51 1ajw s LEU 75 CO 0.09 -0.80 0.37 -0.89 -0.29 0.00 0.00 176.35 174.84 1ajw s THR 76 N -3.98 0.06 -0.40 3.68 2.01 -0.84 -2.24 115.64 113.93 1ajw s THR 76 Ca 0.18 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.25 1ajw s THR 76 Cb 0.05 -1.52 0.16 0.00 0.01 0.00 0.00 72.50 71.21 1ajw s THR 76 CO -0.01 -0.30 0.35 -0.76 -0.69 0.00 0.00 174.62 173.22 1ajw s LEU 77 N -2.88 0.76 0.37 4.42 1.43 -0.92 -2.40 118.68 119.45 1ajw s LEU 77 Ca 0.09 -2.47 -0.26 0.00 -1.03 0.00 0.00 54.13 50.47 1ajw s LEU 77 Cb 0.02 -0.02 -0.09 0.00 0.03 0.00 0.00 46.19 46.13 1ajw s LEU 77 CO -0.05 -0.21 1.11 -0.69 0.23 0.00 0.00 176.35 176.74 1ajw s VAL 78 N 0.62 3.42 0.00 -1.59 1.01 -0.72 -3.20 120.40 119.95 1ajw s VAL 78 Ca 0.26 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.45 1ajw s VAL 78 Cb -0.06 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1ajw s VAL 78 CO -0.10 0.13 0.00 0.00 0.00 0.00 0.00 175.10 175.12 1ajw n SER 80 N -0.89 0.00 -1.88 0.00 3.41 -1.26 -4.76 113.62 108.24 1ajw n SER 80 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1ajw n SER 80 Cb 0.00 -0.17 0.18 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 -2.16 2.61 -2.34 6.66 -2.24 -1.26 -4.94 114.28 110.61 1ajw n THR 81 Ca 0.00 -1.42 -0.16 0.00 -2.27 0.00 0.00 64.05 60.20 1ajw n THR 81 Cb 0.00 -0.52 0.09 0.00 -2.10 0.00 0.00 70.33 67.80 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 -0.50 -0.07 0.17 6.98 0.00 -1.26 -4.46 120.51 121.37 1ajw n ALA 82 Ca 0.41 -1.29 0.05 0.00 0.00 0.00 0.00 53.44 52.61 1ajw n ALA 82 Cb 1.33 0.17 0.19 0.00 0.00 0.00 0.00 19.45 21.14 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 -1.92 -3.49 132.00 126.71 1ajw h PRO 83 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1ajw h PRO 83 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1ajw h PRO 83 CO 0.23 0.41 0.00 0.41 -0.23 0.00 0.00 178.00 178.82 1ajw n GLY 84 N 0.75 -1.28 3.56 1.56 0.00 -1.26 -5.03 105.19 103.49 1ajw n GLY 84 Ca 0.01 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 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 2.70 -0.25 1.61 0.04 -1.26 -4.66 135.00 131.43 1ajw s PRO 85 Ca 0.00 -0.26 -0.28 0.00 0.04 0.00 0.00 61.00 60.49 1ajw s PRO 85 Cb 0.00 -4.99 -0.04 0.00 0.04 0.00 0.00 34.50 29.52 1ajw s PRO 85 CO 0.00 -3.13 1.94 -0.51 0.04 0.00 0.00 177.00 175.34 1ajw s LEU 86 N 9.26 3.60 0.26 -3.56 1.43 -1.19 -4.45 118.68 124.03 1ajw s LEU 86 Ca 0.66 1.66 0.04 0.00 -1.03 0.00 0.00 54.13 55.46 1ajw s LEU 86 Cb -0.07 -3.52 -0.03 0.00 0.03 0.00 0.00 46.19 42.60 1ajw s LEU 86 CO 0.01 -1.69 0.40 -1.61 0.23 0.00 0.00 176.35 173.69 1ajw s GLU 87 N 5.68 3.45 -0.06 1.70 2.02 -1.26 -2.17 118.70 128.06 1ajw s GLU 87 Ca 0.87 -0.67 0.01 0.00 0.02 0.00 0.00 54.97 55.20 1ajw s GLU 87 Cb -0.28 -2.85 0.02 0.00 0.10 0.00 0.00 34.13 31.12 1ajw s GLU 87 CO 0.34 0.38 -0.07 -0.51 0.02 0.00 0.00 175.26 175.42 1ajw s LEU 88 N -4.02 1.37 0.12 1.80 1.43 -0.95 -4.94 118.68 113.49 1ajw s LEU 88 Ca 0.35 -0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 52.95 1ajw s LEU 88 Cb -0.09 -0.61 -0.07 0.00 0.03 0.00 0.00 46.19 45.46 1ajw s LEU 88 CO 0.30 -0.04 1.12 -0.62 0.23 0.00 0.00 176.35 177.34 1ajw s ASP 89 N 0.98 7.22 -0.38 2.29 2.15 -1.26 -2.33 116.67 125.33 1ajw s ASP 89 Ca -0.10 2.02 0.12 0.00 0.43 0.00 0.00 52.55 55.03 1ajw s ASP 89 Cb -0.14 -2.59 0.43 0.00 -0.30 0.00 0.00 42.92 40.31 1ajw s ASP 89 CO 0.00 -0.30 0.98 0.18 -0.17 0.00 0.00 175.17 175.86 1ajw n LEU 90 N 3.00 2.65 0.03 -1.34 4.77 -1.18 -4.73 117.00 120.19 1ajw n LEU 90 Ca 0.05 -4.48 0.00 0.00 -0.03 0.00 0.00 56.01 51.55 1ajw n LEU 90 Cb 0.47 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1ajw n LEU 90 CO 0.54 1.92 0.00 0.35 -1.33 0.00 0.00 177.39 178.87 1ajw n THR 91 N -0.17 0.42 0.02 -5.08 -2.24 -1.26 -4.32 114.28 101.64 1ajw n THR 91 Ca 0.22 0.14 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 1ajw n THR 91 Cb 0.72 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 1ajw n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ajw n GLY 92 N 3.12 -0.03 3.21 3.38 0.00 -1.26 -4.86 105.19 108.75 1ajw n GLY 92 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.11 2.57 -0.05 1.61 9.92 -1.26 -4.47 116.55 121.76 1ajw n ASP 93 Ca 0.00 -2.68 -0.13 0.00 -0.53 0.00 0.00 54.79 51.45 1ajw n ASP 93 Cb 0.29 -1.21 -0.14 0.00 -0.64 0.00 0.00 41.12 39.42 1ajw n ASP 93 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1ajw n LEU 94 N 8.88 1.40 0.26 0.64 -0.00 -1.26 -4.12 117.00 122.80 1ajw n LEU 94 Ca 0.49 0.20 0.13 0.00 -0.00 0.00 0.00 56.01 56.83 1ajw n LEU 94 Cb 0.42 -0.22 0.81 0.00 -0.00 0.00 0.00 43.42 44.42 1ajw n LEU 94 CO 0.98 0.60 1.11 1.05 -0.00 0.00 0.00 177.39 181.14 1ajw h GLU 95 N 0.02 0.00 0.00 1.96 4.11 -1.98 -1.07 114.58 117.62 1ajw h GLU 95 Ca -0.42 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.01 1ajw h GLU 95 Cb 2.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.31 1ajw h GLU 95 CO 0.05 0.00 -0.01 1.03 0.07 0.00 0.00 179.01 180.15 1ajw h SER 96 N 0.00 0.00 -0.13 3.06 0.87 -1.94 -1.71 113.55 113.71 1ajw h SER 96 Ca 0.02 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1ajw h SER 96 Cb 0.12 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1ajw h SER 96 CO -0.00 0.01 0.08 -0.26 -0.53 0.00 0.00 176.83 176.13 1ajw h PHE 97 N 0.00 0.17 0.00 2.24 -1.00 -1.44 -1.23 116.94 115.68 1ajw h PHE 97 Ca -0.00 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.68 1ajw h PHE 97 Cb 0.02 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.51 1ajw h PHE 97 CO 0.00 0.11 -0.47 0.87 -1.61 0.00 0.00 178.31 177.21 1ajw h LYS 98 N 0.18 0.00 -0.71 1.51 1.57 -1.50 -3.10 116.57 114.53 1ajw h LYS 98 Ca 0.05 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.48 1ajw h LYS 98 Cb -0.01 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.10 1ajw h LYS 98 CO -0.01 0.47 0.33 1.17 -0.57 0.00 0.00 179.45 180.84 1ajw n LYS 99 N -3.54 2.29 -3.65 3.15 4.81 -0.50 -4.94 118.16 115.80 1ajw n LYS 99 Ca -0.00 -3.08 -0.14 0.00 -0.87 0.00 0.00 58.31 54.22 1ajw n LYS 99 Cb 0.58 -2.04 -0.08 0.00 0.02 0.00 0.00 35.03 33.51 1ajw n LYS 99 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1ajw s GLN 100 N -3.23 0.77 0.27 1.64 -0.21 -1.00 -5.06 119.66 112.84 1ajw s GLN 100 Ca 0.52 0.93 0.01 0.00 0.02 0.00 0.00 55.36 56.84 1ajw s GLN 100 Cb 0.44 0.37 -0.01 0.00 1.00 0.00 0.00 33.01 34.82 1ajw s GLN 100 CO 0.07 -0.09 0.05 -1.13 -2.12 0.00 0.00 175.29 172.07 1ajw n SER 101 N 2.75 1.83 -4.13 5.90 3.41 -1.26 -4.09 113.62 118.02 1ajw n SER 101 Ca -0.14 -2.33 -0.34 0.00 -0.26 0.00 0.00 58.87 55.80 1ajw n SER 101 Cb 0.55 0.46 -0.14 0.00 -0.26 0.00 0.00 64.21 64.82 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 -2.33 3.29 -0.50 7.33 0.40 0.23 -4.82 117.98 121.58 1ajw s PHE 102 Ca 0.07 -2.09 -0.28 0.00 -0.60 0.00 0.00 56.93 54.04 1ajw s PHE 102 Cb 0.00 -2.11 -0.00 0.00 0.51 0.00 0.00 43.02 41.42 1ajw s PHE 102 CO 0.05 -0.84 1.58 0.08 0.70 0.00 0.00 175.22 176.79 1ajw s VAL 103 N 1.18 3.65 0.23 -0.44 1.01 -1.25 0.11 120.40 124.89 1ajw s VAL 103 Ca -0.06 0.57 0.10 0.00 0.00 0.00 0.00 61.98 62.60 1ajw s VAL 103 Cb -0.20 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 1ajw s VAL 103 CO -0.03 -0.90 -0.19 -0.22 0.00 0.00 0.00 175.10 173.76 1ajw s LEU 104 N 6.75 2.54 0.51 3.92 0.20 0.28 -4.94 118.68 127.94 1ajw s LEU 104 Ca 0.62 -0.98 -0.05 0.00 0.69 0.00 0.00 54.13 54.41 1ajw s LEU 104 Cb -0.14 -0.96 -0.02 0.00 -0.43 0.00 0.00 46.19 44.64 1ajw s LEU 104 CO 0.27 -0.02 0.81 -0.75 -0.29 0.00 0.00 176.35 176.38 1ajw s LYS 105 N -3.34 3.35 0.00 1.98 2.20 -1.26 0.01 119.74 122.67 1ajw s LYS 105 Ca 0.25 0.11 0.00 0.00 -0.36 0.00 0.00 55.97 55.97 1ajw s LYS 105 Cb -0.04 -2.35 0.00 0.00 -1.51 0.00 0.00 37.83 33.92 1ajw s LYS 105 CO 0.11 -0.35 0.00 0.39 -0.36 0.00 0.00 175.35 175.14 1ajw n GLU 106 N -2.35 0.00 -2.96 4.03 1.02 -0.85 -3.49 120.64 116.04 1ajw n GLU 106 Ca 0.02 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.02 1ajw n GLU 106 Cb 0.56 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 32.00 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 -0.85 1.85 3.70 0.62 0.00 -1.26 -2.44 105.19 106.81 1ajw n GLY 107 Ca 0.00 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.77 3.96 -0.79 1.61 -7.23 -1.23 -3.90 120.40 112.05 1ajw s VAL 108 Ca 0.32 1.36 -0.25 0.00 -1.81 0.00 0.00 61.98 61.60 1ajw s VAL 108 Cb 0.28 -3.88 -0.02 0.00 0.56 0.00 0.00 36.38 33.32 1ajw s VAL 108 CO -0.10 0.05 1.80 -1.61 -0.31 0.00 0.00 175.10 174.93 1ajw s GLU 109 N 1.73 2.74 0.17 4.82 2.02 -1.26 -3.34 118.70 125.59 1ajw s GLU 109 Ca 0.60 -0.02 0.07 0.00 0.02 0.00 0.00 54.97 55.63 1ajw s GLU 109 Cb -0.29 -4.75 -0.04 0.00 0.10 0.00 0.00 34.13 29.15 1ajw s GLU 109 CO 0.26 -2.90 0.04 1.52 0.02 0.00 0.00 175.26 174.20 1ajw s TYR 110 N 8.80 2.92 -0.16 1.61 -0.85 -1.19 -4.56 117.35 123.92 1ajw s TYR 110 Ca 0.63 -0.11 -0.05 0.00 -0.52 0.00 0.00 57.07 57.03 1ajw s TYR 110 Cb -0.08 -1.41 -0.03 0.00 0.38 0.00 0.00 41.96 40.81 1ajw s TYR 110 CO 0.08 0.52 0.01 1.03 -1.52 0.00 0.00 175.55 175.67 1ajw s ARG 111 N -3.01 3.74 -0.01 -3.49 0.52 -0.93 -0.24 118.95 115.54 1ajw s ARG 111 Ca 0.28 -0.42 -0.10 0.00 -0.52 0.00 0.00 55.73 54.97 1ajw s ARG 111 Cb -0.09 -3.04 -0.05 0.00 0.52 0.00 0.00 34.95 32.28 1ajw s ARG 111 CO 0.20 0.31 0.31 0.42 0.02 0.00 0.00 175.30 176.56 1ajw s ILE 112 N 0.22 5.22 -0.34 1.52 1.01 -1.21 -1.75 121.20 125.86 1ajw s ILE 112 Ca 0.01 0.45 0.02 0.00 0.00 0.00 0.00 60.65 61.12 1ajw s ILE 112 Cb -0.13 -3.59 0.09 0.00 0.01 0.00 0.00 42.46 38.84 1ajw s ILE 112 CO 0.02 0.47 0.05 -0.54 0.00 0.00 0.00 174.94 174.94 1ajw s LYS 113 N -1.42 1.82 -0.12 2.79 1.02 -1.01 -1.89 119.74 120.94 1ajw s LYS 113 Ca 0.25 -1.71 -0.22 0.00 0.02 0.00 0.00 55.97 54.30 1ajw s LYS 113 Cb -0.14 -3.24 -0.03 0.00 -0.52 0.00 0.00 37.83 33.89 1ajw s LYS 113 CO 0.13 -0.88 0.65 0.42 -0.92 0.00 0.00 175.35 174.75 1ajw s ILE 114 N 1.03 5.06 -0.07 2.17 -1.09 -0.40 -1.98 121.20 125.91 1ajw s ILE 114 Ca 0.05 1.30 0.02 0.00 -2.23 0.00 0.00 60.65 59.79 1ajw s ILE 114 Cb -0.20 -3.98 -0.02 0.00 -1.58 0.00 0.00 42.46 36.67 1ajw s ILE 114 CO -0.06 0.22 -0.12 -0.44 -1.23 0.00 0.00 174.94 173.31 1ajw s SER 115 N 0.89 4.20 0.31 3.58 0.01 -0.84 -0.66 113.70 121.19 1ajw s SER 115 Ca 0.33 -0.17 -0.08 0.00 1.31 0.00 0.00 55.95 57.33 1ajw s SER 115 Cb -0.17 -1.09 0.01 0.00 0.21 0.00 0.00 66.02 64.98 1ajw s SER 115 CO 0.14 0.31 0.51 0.72 0.41 0.00 0.00 173.24 175.34 1ajw s PHE 116 N -0.52 0.65 0.10 2.43 -0.71 -1.17 -1.85 117.98 116.90 1ajw s PHE 116 Ca 0.07 -0.99 0.07 0.00 -1.04 0.00 0.00 56.93 55.04 1ajw s PHE 116 Cb -0.12 0.14 -0.03 0.00 -1.21 0.00 0.00 43.02 41.80 1ajw s PHE 116 CO 0.02 -1.13 -0.17 1.03 -1.34 0.00 0.00 175.22 173.62 1ajw s ARG 117 N -3.37 1.01 -0.19 1.99 1.81 -1.21 -3.20 118.95 115.79 1ajw s ARG 117 Ca 0.25 -1.11 -0.02 0.00 -1.72 0.00 0.00 55.73 53.14 1ajw s ARG 117 Cb -0.01 -1.12 0.06 0.00 -0.45 0.00 0.00 34.95 33.42 1ajw s ARG 117 CO 0.14 0.25 0.01 0.08 -0.68 0.00 0.00 175.30 175.10 1ajw s VAL 118 N -1.37 0.73 -0.37 3.52 1.01 -1.19 -3.53 120.40 119.21 1ajw s VAL 118 Ca 0.04 -0.62 0.11 0.00 0.00 0.00 0.00 61.98 61.51 1ajw s VAL 118 Cb -0.09 -1.14 0.44 0.00 0.00 0.00 0.00 36.38 35.59 1ajw s VAL 118 CO 0.04 -0.12 1.06 -0.46 0.00 0.00 0.00 175.10 175.61 1ajw n ASN 119 N 4.98 3.32 0.01 3.32 6.94 -1.18 -1.65 115.26 131.00 1ajw n ASN 119 Ca -0.10 -3.24 0.00 0.00 -0.02 0.00 0.00 54.58 51.23 1ajw n ASN 119 Cb 0.47 -0.48 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 -4.26 -3.83 0.00 -1.26 -4.72 116.66 102.23 1ajw n ARG 120 Ca 0.26 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.96 1ajw n ARG 120 Cb 0.76 0.00 -0.10 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 -1.03 1.39 -0.48 -0.14 2.02 -1.26 -4.81 118.70 114.39 1ajw s GLU 121 Ca 0.00 -1.76 -0.29 0.00 0.02 0.00 0.00 54.97 52.94 1ajw s GLU 121 Cb 0.00 0.09 0.03 0.00 0.10 0.00 0.00 34.13 34.35 1ajw s GLU 121 CO 0.00 -0.41 1.14 0.42 0.02 0.00 0.00 175.26 176.43 1ajw s ILE 122 N -3.88 4.19 -1.19 -1.63 1.01 -1.26 -3.64 121.20 114.80 1ajw s ILE 122 Ca 0.38 1.21 -0.17 0.00 0.00 0.00 0.00 60.65 62.07 1ajw s ILE 122 Cb 0.06 -4.61 0.11 0.00 0.01 0.00 0.00 42.46 38.03 1ajw s ILE 122 CO 0.15 -1.03 1.52 -0.69 0.00 0.00 0.00 174.94 174.89 1ajw s VAL 123 N 4.49 4.50 -1.32 2.92 1.01 -0.65 -4.86 120.40 126.48 1ajw s VAL 123 Ca 0.48 -2.01 -0.16 0.00 0.00 0.00 0.00 61.98 60.28 1ajw s VAL 123 Cb -0.07 -5.03 0.08 0.00 0.00 0.00 0.00 36.38 31.36 1ajw s VAL 123 CO 0.32 -1.81 1.82 -1.54 0.00 0.00 0.00 175.10 173.89 1ajw n SER 124 N 7.23 4.75 0.00 3.32 3.41 -1.26 -2.52 113.62 128.55 1ajw n SER 124 Ca 0.40 -2.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 1ajw n SER 124 Cb 0.46 -1.71 0.00 0.00 -0.26 0.00 0.00 64.21 62.70 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 4.92 0.00 3.74 5.00 0.00 -1.25 -4.81 105.19 112.79 1ajw n GLY 125 Ca 0.48 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.10 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 4.77 0.19 1.61 0.00 -1.06 -1.11 119.30 123.70 1ajw s MET 126 Ca 0.00 1.50 0.08 0.00 0.00 0.00 0.00 55.69 57.27 1ajw s MET 126 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 34.83 31.47 1ajw s MET 126 CO 0.00 0.36 -0.16 0.15 0.00 0.00 0.00 175.02 175.38 1ajw s LYS 127 N -0.69 1.30 -0.20 4.11 1.02 -0.26 0.52 119.74 125.55 1ajw s LYS 127 Ca 0.44 -1.51 -0.03 0.00 0.02 0.00 0.00 55.97 54.89 1ajw s LYS 127 Cb -0.25 -1.19 0.06 0.00 -0.52 0.00 0.00 37.83 35.93 1ajw s LYS 127 CO 0.32 0.21 0.03 -0.47 -0.92 0.00 0.00 175.35 174.52 1ajw s TYR 128 N -2.62 1.07 0.36 3.18 5.04 0.11 -2.87 117.35 121.62 1ajw s TYR 128 Ca 0.20 -0.89 0.08 0.00 -2.44 0.00 0.00 57.07 54.01 1ajw s TYR 128 Cb -0.03 -1.05 -0.03 0.00 0.35 0.00 0.00 41.96 41.21 1ajw s TYR 128 CO 0.07 -0.62 0.27 0.42 -1.34 0.00 0.00 175.55 174.35 1ajw s ILE 129 N 1.84 3.21 -0.22 3.14 1.09 -1.19 -0.08 121.20 128.99 1ajw s ILE 129 Ca -0.01 -1.44 -0.11 0.00 -1.10 0.00 0.00 60.65 57.98 1ajw s ILE 129 Cb -0.17 -3.10 0.08 0.00 -1.06 0.00 0.00 42.46 38.21 1ajw s ILE 129 CO -0.08 -0.13 0.52 -1.10 -0.10 0.00 0.00 174.94 174.04 1ajw s GLN 130 N -3.99 0.50 -0.26 2.79 -0.21 -0.14 -2.67 119.66 115.68 1ajw s GLN 130 Ca 0.42 1.01 -0.05 0.00 0.02 0.00 0.00 55.36 56.76 1ajw s GLN 130 Cb -0.04 0.14 0.00 0.00 1.00 0.00 0.00 33.01 34.11 1ajw s GLN 130 CO 0.26 -0.17 0.02 -1.01 -2.12 0.00 0.00 175.29 172.26 1ajw s HIS 131 N 1.76 3.07 -1.09 0.91 3.76 0.28 -0.92 115.29 123.05 1ajw s HIS 131 Ca -0.08 -0.99 -0.23 0.00 -0.15 0.00 0.00 55.06 53.61 1ajw s HIS 131 Cb -0.08 -2.17 -0.12 0.00 1.11 0.00 0.00 32.58 31.31 1ajw s HIS 131 CO -0.16 -0.56 1.94 2.41 -0.85 0.00 0.00 174.74 177.52 1ajw n THR 132 N 4.82 1.65 -2.49 1.30 -1.04 0.30 0.02 114.28 118.84 1ajw n THR 132 Ca -0.16 -1.68 -0.42 0.00 -2.04 0.00 0.00 64.05 59.75 1ajw n THR 132 Cb 0.49 -2.17 -0.03 0.00 -1.82 0.00 0.00 70.33 66.81 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 10.91 2.42 0.18 -1.42 1.51 0.30 -2.39 117.35 128.87 1ajw s TYR 133 Ca 0.69 0.40 0.11 0.00 -1.01 0.00 0.00 57.07 57.26 1ajw s TYR 133 Cb 0.01 -4.47 -0.04 0.00 -0.11 0.00 0.00 41.96 37.35 1ajw s TYR 133 CO 0.15 -1.82 -0.24 0.50 -1.11 0.00 0.00 175.55 173.03 1ajw s ARG 134 N 5.29 1.46 -1.40 -0.62 6.06 0.10 -1.47 118.95 128.38 1ajw s ARG 134 Ca 0.47 -1.48 -0.09 0.00 -2.50 0.00 0.00 55.73 52.13 1ajw s ARG 134 Cb -0.09 -1.78 0.06 0.00 0.06 0.00 0.00 34.95 33.20 1ajw s ARG 134 CO 0.24 0.39 0.61 1.63 -2.50 0.00 0.00 175.30 175.67 1ajw n LYS 135 N 0.36 -4.18 -1.83 5.12 4.76 -1.26 -0.15 118.16 120.98 1ajw n LYS 135 Ca -0.13 0.61 -0.18 0.00 -2.87 0.00 0.00 58.31 55.74 1ajw n LYS 135 Cb 0.56 -5.40 -0.05 0.00 -1.84 0.00 0.00 35.03 28.30 1ajw n LYS 135 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ajw n GLY 136 N -1.36 0.91 3.23 0.72 0.00 -1.26 -4.97 105.19 102.47 1ajw n GLY 136 Ca -0.03 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.74 0.06 0.15 1.61 -7.23 0.79 -5.14 120.40 107.89 1ajw s VAL 137 Ca 0.00 -0.46 -0.30 0.00 -1.81 0.00 0.00 61.98 59.41 1ajw s VAL 137 Cb 0.00 -0.60 -0.07 0.00 0.56 0.00 0.00 36.38 36.28 1ajw s VAL 137 CO 0.00 -0.25 0.95 -0.75 -0.31 0.00 0.00 175.10 174.74 1ajw s LYS 138 N -1.24 4.74 -0.01 4.82 2.20 -1.26 0.03 119.74 129.02 1ajw s LYS 138 Ca -0.13 1.46 0.01 0.00 -0.36 0.00 0.00 55.97 56.95 1ajw s LYS 138 Cb -0.05 -3.35 -0.02 0.00 -1.51 0.00 0.00 37.83 32.90 1ajw s LYS 138 CO 0.04 0.31 0.02 0.44 -0.36 0.00 0.00 175.35 175.80 1ajw n ILE 139 N 2.38 0.05 -3.64 5.43 -6.64 -1.00 -4.90 119.36 111.04 1ajw n ILE 139 Ca 0.01 -0.05 -0.05 0.00 -1.77 0.00 0.00 62.75 60.88 1ajw n ILE 139 Cb 0.49 -0.27 -0.06 0.00 -1.44 0.00 0.00 39.64 38.35 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 -2.71 -0.19 0.17 7.28 2.15 -1.26 -5.01 116.67 117.11 1ajw s ASP 140 Ca -0.01 0.32 0.00 0.00 0.43 0.00 0.00 52.55 53.30 1ajw s ASP 140 Cb 0.01 0.31 -0.04 0.00 -0.30 0.00 0.00 42.92 42.89 1ajw s ASP 140 CO 0.06 -0.10 0.06 -1.59 -0.17 0.00 0.00 175.17 173.43 1ajw s LYS 141 N -0.28 1.09 0.05 4.34 -2.85 -1.26 0.11 119.74 120.94 1ajw s LYS 141 Ca 0.05 -1.54 -0.07 0.00 -1.00 0.00 0.00 55.97 53.41 1ajw s LYS 141 Cb -0.04 0.03 -0.01 0.00 -2.06 0.00 0.00 37.83 35.76 1ajw s LYS 141 CO -0.10 -0.25 0.13 0.99 0.10 0.00 0.00 175.35 176.23 1ajw s THR 142 N -3.91 0.14 -0.06 3.79 2.01 -0.10 -4.96 115.64 112.55 1ajw s THR 142 Ca 0.28 -1.13 0.04 0.00 0.31 0.00 0.00 61.69 61.19 1ajw s THR 142 Cb 0.07 -1.07 0.00 0.00 0.01 0.00 0.00 72.50 71.52 1ajw s THR 142 CO 0.06 -0.62 -0.17 1.51 -0.69 0.00 0.00 174.62 174.71 1ajw s ASP 143 N -2.37 2.19 -0.14 3.53 1.47 -1.26 -0.96 116.67 119.12 1ajw s ASP 143 Ca -0.01 -0.37 0.01 0.00 1.18 0.00 0.00 52.55 53.36 1ajw s ASP 143 Cb 0.01 -0.81 0.02 0.00 -0.34 0.00 0.00 42.92 41.80 1ajw s ASP 143 CO -0.06 0.11 -0.17 -0.31 0.68 0.00 0.00 175.17 175.42 1ajw s TYR 144 N 0.30 2.33 0.01 2.11 2.02 0.88 -4.95 117.35 120.04 1ajw s TYR 144 Ca -0.10 -1.26 -0.30 0.00 -0.37 0.00 0.00 57.07 55.04 1ajw s TYR 144 Cb -0.14 -1.66 -0.07 0.00 -0.40 0.00 0.00 41.96 39.69 1ajw s TYR 144 CO 0.04 -0.65 1.70 -1.64 -1.57 0.00 0.00 175.55 173.43 1ajw s MET 145 N 1.24 4.18 -0.11 -0.62 -1.94 -1.26 -0.71 119.30 120.09 1ajw s MET 145 Ca 0.01 2.30 -0.10 0.00 -1.71 0.00 0.00 55.69 56.19 1ajw s MET 145 Cb -0.14 -3.85 -0.08 0.00 2.01 0.00 0.00 34.83 32.77 1ajw s MET 145 CO -0.08 -0.81 0.29 0.28 -0.01 0.00 0.00 175.02 174.68 1ajw h VAL 146 N 5.27 0.54 0.00 -6.03 2.07 -0.24 -3.47 116.25 114.40 1ajw h VAL 146 Ca -0.42 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 65.74 1ajw h VAL 146 Cb 1.20 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1ajw h VAL 146 CO 0.94 0.18 0.00 0.61 0.02 0.00 0.00 177.57 179.32 1ajw n GLY 147 N 1.61 2.28 3.85 2.17 0.00 -1.11 -4.93 105.19 109.06 1ajw n GLY 147 Ca -0.03 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.79 1ajw n GLY 147 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ajw s SER 148 N 0.00 6.78 0.11 1.61 1.04 -1.26 -2.57 113.70 119.40 1ajw s SER 148 Ca 0.00 1.33 -0.08 0.00 0.48 0.00 0.00 55.95 57.68 1ajw s SER 148 Cb 0.00 -2.39 -0.01 0.00 0.10 0.00 0.00 66.02 63.72 1ajw s SER 148 CO 0.00 -0.24 0.20 -0.31 0.98 0.00 0.00 173.24 173.87 1ajw s TYR 149 N -2.04 0.24 0.17 5.02 2.02 -1.05 -4.94 117.35 116.77 1ajw s TYR 149 Ca 0.55 -0.65 0.07 0.00 -0.37 0.00 0.00 57.07 56.67 1ajw s TYR 149 Cb -0.10 -0.08 -0.04 0.00 -0.40 0.00 0.00 41.96 41.34 1ajw s TYR 149 CO 0.18 -0.58 0.02 0.20 -1.57 0.00 0.00 175.55 173.80 1ajw s GLY 150 N -2.89 1.73 0.00 0.71 0.00 -1.26 -1.64 107.32 103.97 1ajw s GLY 150 Ca 0.08 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 43.46 1ajw s GLY 150 CO -0.08 -1.35 0.00 -1.55 0.00 0.00 0.00 173.10 170.11 1ajw n PRO 151 N -0.13 1.64 -2.45 2.90 -0.04 -1.24 -4.24 135.00 131.43 1ajw n PRO 151 Ca -0.09 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.31 1ajw n PRO 151 Cb 0.55 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.04 1ajw n PRO 151 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ajw n ARG 152 N 0.00 -2.10 -1.74 0.54 1.74 -0.88 -3.43 116.66 110.79 1ajw n ARG 152 Ca 0.00 0.29 -0.11 0.00 -0.77 0.00 0.00 57.85 57.26 1ajw n ARG 152 Cb 0.00 -3.58 -0.03 0.00 -1.02 0.00 0.00 32.46 27.83 1ajw n ARG 152 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ajw n ALA 153 N -2.08 -0.40 -2.54 7.54 0.00 -0.66 -4.87 120.51 117.51 1ajw n ALA 153 Ca -0.09 0.15 -0.42 0.00 0.00 0.00 0.00 53.44 53.08 1ajw n ALA 153 Cb 0.56 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 1ajw n ALA 153 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ajw s GLU 154 N -3.71 3.34 -0.37 0.00 2.12 -1.16 -4.75 118.70 114.17 1ajw s GLU 154 Ca 0.00 0.08 -0.15 0.00 0.36 0.00 0.00 54.97 55.26 1ajw s GLU 154 Cb 0.00 -4.10 0.00 0.00 0.26 0.00 0.00 34.13 30.29 1ajw s GLU 154 CO 0.00 -1.92 0.33 -1.83 -0.54 0.00 0.00 175.26 171.30 1ajw s GLU 155 N 5.38 3.30 0.35 4.30 -1.05 -1.26 -3.14 118.70 126.58 1ajw s GLU 155 Ca 0.41 -0.70 0.03 0.00 -0.15 0.00 0.00 54.97 54.56 1ajw s GLU 155 Cb -0.08 -3.88 0.06 0.00 -0.44 0.00 0.00 34.13 29.79 1ajw s GLU 155 CO 0.21 -0.63 0.49 0.66 0.95 0.00 0.00 175.26 176.94 1ajw n TYR 156 N 5.30 -2.84 -3.61 4.83 4.02 -1.20 -4.87 117.16 118.79 1ajw n TYR 156 Ca -0.10 -1.08 -0.23 0.00 -0.01 0.00 0.00 57.90 56.48 1ajw n TYR 156 Cb 0.48 -0.34 -0.16 0.00 -0.02 0.00 0.00 39.34 39.30 1ajw n TYR 156 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1ajw s GLU 157 N -3.63 0.05 0.56 -0.72 2.02 -1.26 -3.03 118.70 112.70 1ajw s GLU 157 Ca 0.35 0.09 -0.08 0.00 0.02 0.00 0.00 54.97 55.35 1ajw s GLU 157 Cb -0.02 -1.39 -0.03 0.00 0.10 0.00 0.00 34.13 32.78 1ajw s GLU 157 CO 0.22 -0.58 0.91 0.12 0.02 0.00 0.00 175.26 175.95 1ajw s PHE 158 N 2.18 3.56 -0.28 1.61 5.36 0.17 -4.85 117.98 125.73 1ajw s PHE 158 Ca 0.03 1.02 -0.03 0.00 -0.96 0.00 0.00 56.93 56.99 1ajw s PHE 158 Cb -0.15 -2.54 0.11 0.00 -0.34 0.00 0.00 43.02 40.10 1ajw s PHE 158 CO -0.08 -0.52 0.17 -0.51 -1.46 0.00 0.00 175.22 172.82 1ajw s LEU 159 N -4.97 0.30 0.53 6.12 1.02 -1.26 -1.27 118.68 119.15 1ajw s LEU 159 Ca 0.51 -1.08 -0.20 0.00 0.02 0.00 0.00 54.13 53.38 1ajw s LEU 159 Cb -0.11 -0.10 -0.06 0.00 0.02 0.00 0.00 46.19 45.95 1ajw s LEU 159 CO 0.49 -0.42 1.14 0.42 0.02 0.00 0.00 176.35 178.00 1ajw s THR 160 N 2.18 3.13 1.29 5.49 -4.23 -0.79 -4.90 115.64 117.81 1ajw s THR 160 Ca 0.09 0.73 -0.22 0.00 -1.18 0.00 0.00 61.69 61.11 1ajw s THR 160 Cb -0.15 -3.31 0.33 0.00 1.34 0.00 0.00 72.50 70.70 1ajw s THR 160 CO -0.34 -0.13 0.95 -0.81 -0.54 0.00 0.00 174.62 173.76 1ajw n PRO 161 N -1.16 -3.86 -1.62 3.99 -0.04 -1.26 -3.31 135.00 127.73 1ajw n PRO 161 Ca 0.11 -1.55 -0.40 0.00 -0.04 0.00 0.00 63.50 61.61 1ajw n PRO 161 Cb 0.50 -1.69 0.02 0.00 -0.04 0.00 0.00 33.50 32.29 1ajw n PRO 161 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ajw n MET 162 N -5.16 1.33 -3.50 0.54 0.00 -1.26 -4.46 117.12 104.61 1ajw n MET 162 Ca 0.14 0.48 -0.28 0.00 0.00 0.00 0.00 57.70 58.04 1ajw n MET 162 Cb 0.57 -2.11 -0.14 0.00 0.00 0.00 0.00 33.22 31.55 1ajw n MET 162 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1ajw s GLU 163 N -2.19 0.33 -0.04 3.17 2.02 0.67 -4.80 118.70 117.86 1ajw s GLU 163 Ca 0.65 -0.79 -0.30 0.00 0.02 0.00 0.00 54.97 54.56 1ajw s GLU 163 Cb -0.52 -1.17 -0.05 0.00 0.10 0.00 0.00 34.13 32.49 1ajw s GLU 163 CO 0.55 -1.09 1.54 -1.83 0.02 0.00 0.00 175.26 174.45 1ajw s GLU 164 N 1.75 4.21 1.22 1.61 -1.05 -1.25 -3.14 118.70 122.06 1ajw s GLU 164 Ca 0.12 2.08 -0.18 0.00 -0.15 0.00 0.00 54.97 56.84 1ajw s GLU 164 Cb -0.18 -3.82 0.25 0.00 -0.44 0.00 0.00 34.13 29.95 1ajw s GLU 164 CO -0.23 -0.75 0.56 0.00 0.95 0.00 0.00 175.26 175.78 1ajw n ALA 165 N 6.48 -3.14 -2.20 -0.84 0.00 -1.21 -4.78 120.51 114.81 1ajw n ALA 165 Ca 0.16 -1.43 -0.43 0.00 0.00 0.00 0.00 53.44 51.74 1ajw n ALA 165 Cb 0.43 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 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 -4.14 4.08 0.52 0.00 0.04 -1.02 -3.97 135.00 130.51 1ajw s PRO 166 Ca 0.54 1.81 -0.02 0.00 0.04 0.00 0.00 61.00 63.38 1ajw s PRO 166 Cb -0.12 -3.92 0.01 0.00 0.04 0.00 0.00 34.50 30.52 1ajw s PRO 166 CO 0.51 -0.93 0.78 0.15 0.04 0.00 0.00 177.00 177.55 1ajw s LYS 167 N 4.02 2.88 0.00 4.56 1.02 -1.16 -4.33 119.74 126.73 1ajw s LYS 167 Ca 0.65 -0.39 0.00 0.00 0.02 0.00 0.00 55.97 56.26 1ajw s LYS 167 Cb -0.26 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 34.61 1ajw s LYS 167 CO 0.24 -0.53 0.00 0.41 -0.92 0.00 0.00 175.35 174.55 1ajw n GLY 168 N -2.32 2.10 0.30 -3.33 0.00 -1.26 -4.21 105.19 96.47 1ajw n GLY 168 Ca 0.04 -1.63 -0.04 0.00 0.00 0.00 0.00 46.02 44.39 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 1.02 0.00 1.61 2.86 -1.98 -0.67 114.93 117.77 1ajw h MET 169 Ca 0.00 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1ajw h MET 169 Cb 0.00 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.43 1ajw h MET 169 CO 0.00 0.69 -0.05 1.25 1.06 0.00 0.00 176.91 179.86 1ajw h LEU 170 N 1.05 0.00 -2.83 1.22 7.12 -1.99 -2.00 115.31 117.88 1ajw h LEU 170 Ca 0.28 0.00 -0.10 0.00 0.13 0.00 0.00 57.88 58.19 1ajw h LEU 170 Cb -0.10 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 39.97 1ajw h LEU 170 CO -0.06 0.05 0.13 0.00 -0.13 0.00 0.00 178.44 178.43 1ajw n ALA 171 N -2.18 3.73 -2.04 1.25 0.00 -0.26 -4.92 120.51 116.08 1ajw n ALA 171 Ca -0.02 -1.42 -0.19 0.00 0.00 0.00 0.00 53.44 51.81 1ajw n ALA 171 Cb 0.20 -1.14 0.05 0.00 0.00 0.00 0.00 19.45 18.55 1ajw n ALA 171 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ajw s ARG 172 N -2.12 2.41 0.00 0.00 0.52 -0.75 -4.67 118.95 114.33 1ajw s ARG 172 Ca 0.35 -1.58 0.00 0.00 -0.52 0.00 0.00 55.73 53.99 1ajw s ARG 172 Cb 0.28 -2.65 0.00 0.00 0.52 0.00 0.00 34.95 33.10 1ajw s ARG 172 CO 0.09 -0.73 0.00 0.41 0.02 0.00 0.00 175.30 175.09 1ajw n GLY 173 N -2.15 -1.85 3.72 -3.53 0.00 -1.19 -4.87 105.19 95.33 1ajw n GLY 173 Ca 0.14 -2.15 -0.40 0.00 0.00 0.00 0.00 46.02 43.61 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 -2.40 7.05 -0.30 1.61 1.04 -1.26 -0.23 113.70 119.20 1ajw s SER 174 Ca 0.00 1.26 0.00 0.00 0.48 0.00 0.00 55.95 57.69 1ajw s SER 174 Cb 0.00 -2.43 0.06 0.00 0.10 0.00 0.00 66.02 63.75 1ajw s SER 174 CO 0.00 -0.09 -0.02 -0.31 0.98 0.00 0.00 173.24 173.80 1ajw s TYR 175 N 0.61 3.33 -0.12 5.02 1.51 -0.59 -4.78 117.35 122.33 1ajw s TYR 175 Ca 0.38 -2.14 -0.29 0.00 -1.01 0.00 0.00 57.07 54.00 1ajw s TYR 175 Cb -0.18 -2.20 -0.03 0.00 -0.11 0.00 0.00 41.96 39.45 1ajw s TYR 175 CO 0.19 -0.85 1.31 1.21 -1.11 0.00 0.00 175.55 176.31 1ajw s ASN 176 N 1.22 6.92 -0.15 2.29 2.47 -0.54 -0.28 114.94 126.86 1ajw s ASN 176 Ca -0.04 1.81 -0.03 0.00 0.42 0.00 0.00 52.86 55.02 1ajw s ASN 176 Cb -0.20 -2.54 -0.02 0.00 -1.45 0.00 0.00 41.25 37.03 1ajw s ASN 176 CO -0.03 -0.75 -0.05 -0.63 -3.72 0.00 0.00 177.10 171.91 1ajw s ILE 177 N 3.29 3.72 -0.45 -5.21 1.01 -0.27 0.11 121.20 123.39 1ajw s ILE 177 Ca 0.58 -0.42 -0.19 0.00 0.00 0.00 0.00 60.65 60.62 1ajw s ILE 177 Cb -0.24 -2.62 0.03 0.00 0.01 0.00 0.00 42.46 39.64 1ajw s ILE 177 CO 0.19 0.50 0.57 -0.75 0.00 0.00 0.00 174.94 175.44 1ajw s LYS 178 N 0.40 3.17 -0.09 2.79 2.20 0.10 -3.03 119.74 125.27 1ajw s LYS 178 Ca -0.05 -0.67 0.01 0.00 -0.36 0.00 0.00 55.97 54.90 1ajw s LYS 178 Cb -0.15 -4.00 -0.02 0.00 -1.51 0.00 0.00 37.83 32.15 1ajw s LYS 178 CO 0.03 -1.03 -0.12 -1.54 -0.36 0.00 0.00 175.35 172.34 1ajw s SER 179 N 2.16 4.18 -0.14 1.43 1.04 -1.19 0.10 113.70 121.28 1ajw s SER 179 Ca 0.17 -0.22 -0.00 0.00 0.48 0.00 0.00 55.95 56.38 1ajw s SER 179 Cb -0.17 -1.28 0.03 0.00 0.10 0.00 0.00 66.02 64.71 1ajw s SER 179 CO 0.15 0.26 -0.09 0.00 0.98 0.00 0.00 173.24 174.54 1ajw s ARG 180 N -0.22 1.73 -0.78 4.02 1.70 -1.09 -1.83 118.95 122.48 1ajw s ARG 180 Ca 0.01 -0.44 -0.19 0.00 -0.47 0.00 0.00 55.73 54.64 1ajw s ARG 180 Cb -0.13 -1.88 0.12 0.00 -0.57 0.00 0.00 34.95 32.49 1ajw s ARG 180 CO 0.03 -0.31 0.96 0.12 -1.08 0.00 0.00 175.30 175.01 1ajw s PHE 181 N 1.61 3.05 0.14 5.89 5.36 -0.03 -3.17 117.98 130.83 1ajw s PHE 181 Ca 0.03 -1.16 0.00 0.00 -0.96 0.00 0.00 56.93 54.85 1ajw s PHE 181 Cb -0.14 -4.18 0.00 0.00 -0.34 0.00 0.00 43.02 38.37 1ajw s PHE 181 CO -0.09 -1.43 0.03 -2.37 -1.46 0.00 0.00 175.22 169.90 1ajw n THR 182 N 5.46 0.00 -4.09 0.12 5.66 -1.14 -3.03 114.28 117.26 1ajw n THR 182 Ca 0.09 -0.61 -0.05 0.00 -3.05 0.00 0.00 64.05 60.43 1ajw n THR 182 Cb 0.46 -0.03 -0.02 0.00 -1.55 0.00 0.00 70.33 69.20 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 -1.36 0.64 -1.88 1.09 5.75 -1.25 -1.10 116.55 118.44 1ajw n ASP 183 Ca -0.04 -1.46 -0.10 0.00 -0.01 0.00 0.00 54.79 53.19 1ajw n ASP 183 Cb 0.17 0.26 0.22 0.00 -1.03 0.00 0.00 41.12 40.74 1ajw n ASP 183 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1ajw n ASP 184 N -2.19 4.14 0.00 -1.12 5.75 -0.27 -4.58 116.55 118.28 1ajw n ASP 184 Ca -0.00 -3.11 0.00 0.00 -0.01 0.00 0.00 54.79 51.66 1ajw n ASP 184 Cb 0.13 -0.73 0.00 0.00 -1.03 0.00 0.00 41.12 39.48 1ajw n ASP 184 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1ajw n ASP 185 N -0.32 0.00 0.00 -1.12 9.92 -1.26 -5.00 116.55 118.77 1ajw n ASP 185 Ca 0.39 0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.80 1ajw n ASP 185 Cb 1.31 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 41.60 1ajw n ASP 185 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1ajw n ARG 186 N -1.20 0.00 -3.63 -1.24 -4.01 -1.26 -5.17 116.66 100.15 1ajw n ARG 186 Ca 0.00 0.00 0.01 0.00 -1.04 0.00 0.00 57.85 56.82 1ajw n ARG 186 Cb 0.00 0.00 -0.01 0.00 -3.04 0.00 0.00 32.46 29.41 1ajw n ARG 186 CO 0.00 0.00 0.00 -0.08 -3.04 0.00 0.00 177.63 174.51 1ajw s THR 187 N 0.00 0.00 -0.29 8.89 -1.32 -1.26 -5.13 115.64 116.52 1ajw s THR 187 Ca 0.00 -0.26 -0.13 0.00 -1.21 0.00 0.00 61.69 60.08 1ajw s THR 187 Cb 0.00 -1.95 -0.03 0.00 -1.51 0.00 0.00 72.50 69.01 1ajw s THR 187 CO 0.00 0.00 0.29 -1.81 -2.21 0.00 0.00 174.62 170.89 1ajw s ASP 188 N -2.94 6.14 0.11 8.08 1.11 -1.26 -3.93 116.67 123.98 1ajw s ASP 188 Ca 0.14 0.01 -0.23 0.00 0.18 0.00 0.00 52.55 52.65 1ajw s ASP 188 Cb 0.04 -2.17 -0.09 0.00 1.07 0.00 0.00 42.92 41.77 1ajw s ASP 188 CO -0.03 -0.17 1.71 0.45 1.18 0.00 0.00 175.17 178.30 1ajw h HIS 189 N 8.33 -0.16 -1.59 4.23 3.86 -1.86 -3.47 115.15 124.50 1ajw h HIS 189 Ca -0.32 0.01 0.10 0.00 -1.16 0.00 0.00 60.37 58.99 1ajw h HIS 189 Cb 1.17 0.08 -0.22 0.00 1.06 0.00 0.00 27.41 29.49 1ajw h HIS 189 CO 0.74 -0.10 0.57 -1.17 0.86 0.00 0.00 177.93 178.83 1ajw s LEU 190 N -10.28 -0.34 0.11 2.43 2.96 -1.17 -4.95 118.68 107.43 1ajw s LEU 190 Ca -0.14 0.34 -0.09 0.00 -0.22 0.00 0.00 54.13 54.02 1ajw s LEU 190 Cb 0.08 1.82 0.00 0.00 0.50 0.00 0.00 46.19 48.59 1ajw s LEU 190 CO 0.67 -0.34 0.23 -0.94 -1.32 0.00 0.00 176.35 174.64 1ajw s SER 191 N -1.25 0.07 0.00 3.68 1.04 -1.26 -0.85 113.70 115.13 1ajw s SER 191 Ca -0.00 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.75 1ajw s SER 191 Cb -0.01 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1ajw s SER 191 CO 0.00 -0.78 0.00 -2.67 0.98 0.00 0.00 173.24 170.77 1ajw n TRP 192 N -0.11 0.00 -3.64 5.02 2.14 -0.76 -5.00 117.44 115.08 1ajw n TRP 192 Ca -0.13 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.37 1ajw n TRP 192 Cb 0.63 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 31.06 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 1.38 0.62 0.02 -2.67 -1.05 -1.26 -3.16 118.70 112.57 1ajw s GLU 193 Ca 0.00 1.02 0.01 0.00 -0.15 0.00 0.00 54.97 55.85 1ajw s GLU 193 Cb 0.00 0.15 -0.01 0.00 -0.44 0.00 0.00 34.13 33.83 1ajw s GLU 193 CO 0.00 -0.12 -0.03 1.67 0.95 0.00 0.00 175.26 177.73 1ajw s TRP 194 N 1.37 0.29 0.19 4.83 1.48 -1.17 -4.61 118.94 121.32 1ajw s TRP 194 Ca -0.08 -0.34 -0.14 0.00 -1.06 0.00 0.00 56.10 54.48 1ajw s TRP 194 Cb -0.05 -0.19 -0.07 0.00 -1.16 0.00 0.00 33.47 32.00 1ajw s TRP 194 CO -0.16 -0.10 0.58 -0.80 -4.06 0.00 0.00 176.95 172.41 1ajw s ASN 195 N -0.96 6.79 -0.43 -2.66 -0.87 -1.26 -1.12 114.94 114.44 1ajw s ASN 195 Ca -0.09 1.08 0.00 0.00 -1.57 0.00 0.00 52.86 52.29 1ajw s ASN 195 Cb -0.07 -2.29 0.12 0.00 -0.02 0.00 0.00 41.25 38.99 1ajw s ASN 195 CO -0.00 0.03 0.19 -0.22 -2.57 0.00 0.00 177.10 174.53 1ajw s LEU 196 N -2.26 4.97 -0.33 0.60 2.96 0.61 0.75 118.68 125.98 1ajw s LEU 196 Ca 0.42 -2.31 -0.29 0.00 -0.22 0.00 0.00 54.13 51.73 1ajw s LEU 196 Cb -0.14 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 1ajw s LEU 196 CO 0.20 -0.43 1.54 -0.89 -1.32 0.00 0.00 176.35 175.45 1ajw s THR 197 N 0.71 3.78 0.18 3.68 2.01 0.29 -1.54 115.64 124.76 1ajw s THR 197 Ca 0.11 0.83 -0.13 0.00 0.31 0.00 0.00 61.69 62.82 1ajw s THR 197 Cb -0.22 -3.94 -0.07 0.00 0.01 0.00 0.00 72.50 68.28 1ajw s THR 197 CO -0.05 -0.52 0.55 -0.63 -0.69 0.00 0.00 174.62 173.28 1ajw s ILE 198 N 5.58 4.88 0.00 1.82 -1.09 0.67 0.10 121.20 133.17 1ajw s ILE 198 Ca 0.68 0.69 0.00 0.00 -2.23 0.00 0.00 60.65 59.79 1ajw s ILE 198 Cb -0.19 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 1ajw s ILE 198 CO 0.31 0.12 0.00 1.17 -1.23 0.00 0.00 174.94 175.30 1ajw n LYS 199 N 0.43 0.35 -0.01 2.79 4.81 0.10 -3.16 118.16 123.47 1ajw n LYS 199 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1ajw n LYS 199 Cb 0.52 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.54 1ajw n LYS 199 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1ajw n LYS 200 N 0.00 1.51 -3.20 1.64 5.02 -1.26 -2.01 118.16 119.85 1ajw n LYS 200 Ca 0.00 -0.02 0.01 0.00 -2.02 0.00 0.00 58.31 56.27 1ajw n LYS 200 Cb 0.00 -1.11 -0.01 0.00 -0.02 0.00 0.00 35.03 33.89 1ajw n LYS 200 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1ajw s GLU 201 N -2.22 0.67 -0.01 1.97 2.12 -1.26 -4.69 118.70 115.28 1ajw s GLU 201 Ca -0.02 0.07 0.05 0.00 0.36 0.00 0.00 54.97 55.44 1ajw s GLU 201 Cb 0.02 0.09 0.17 0.00 0.26 0.00 0.00 34.13 34.67 1ajw s GLU 201 CO 0.18 -1.12 1.06 -2.67 -0.54 0.00 0.00 175.26 172.18 1ajw n TRP 202 N 4.89 0.31 -2.72 5.30 4.27 -1.26 -3.96 117.44 124.27 1ajw n TRP 202 Ca 0.08 -0.14 -0.01 0.00 -3.89 0.00 0.00 57.50 53.54 1ajw n TRP 202 Cb 0.55 -0.04 0.10 0.00 -1.36 0.00 0.00 31.31 30.56 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 0.07 1.48 0.00 -2.67 3.00 -1.26 -4.58 118.16 114.19 1ajw n LYS 203 Ca 0.06 -1.94 0.14 0.00 -0.00 0.00 0.00 58.31 56.57 1ajw n LYS 203 Cb 0.23 -0.22 0.83 0.00 0.00 0.00 0.00 35.03 35.87 1ajw n LYS 203 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93