#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 0.03 0.00 0.00 0.11 -1.26 -5.10 120.40 114.17 1ajw s VAL 61 Ca 0.00 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 1ajw s VAL 61 Cb 0.00 -0.05 0.00 0.00 -1.53 0.00 0.00 36.38 34.80 1ajw s VAL 61 CO 0.00 0.03 0.00 -0.24 -3.33 0.00 0.00 175.10 171.56 1ajw n SER 62 N 3.27 -1.82 -4.94 3.54 2.88 -1.26 -4.74 113.62 110.55 1ajw n SER 62 Ca -0.15 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.15 1ajw n SER 62 Cb 0.58 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.07 1ajw n SER 62 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ajw s ALA 63 N -1.65 3.58 0.46 -1.46 0.00 -1.26 -5.07 121.76 116.36 1ajw s ALA 63 Ca 0.00 -0.99 -0.21 0.00 0.00 0.00 0.00 51.96 50.77 1ajw s ALA 63 Cb 0.00 -2.32 -0.10 0.00 0.00 0.00 0.00 23.12 20.70 1ajw s ALA 63 CO 0.00 -0.69 1.00 -0.51 0.00 0.00 0.00 175.76 175.56 1ajw s ASP 64 N -4.32 6.61 0.00 0.00 1.01 -1.26 -5.04 116.67 113.67 1ajw s ASP 64 Ca 0.53 1.83 0.00 0.00 0.71 0.00 0.00 52.55 55.62 1ajw s ASP 64 Cb -0.10 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.28 1ajw s ASP 64 CO 0.41 -0.59 0.03 -0.81 0.21 0.00 0.00 175.17 174.42 1ajw n PRO 65 N -0.80 0.00 -2.38 8.23 -0.04 -1.26 -4.85 135.00 133.90 1ajw n PRO 65 Ca 0.08 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.41 1ajw n PRO 65 Cb 0.53 -0.29 -0.01 0.00 -0.04 0.00 0.00 33.50 33.69 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 -0.08 -4.15 -3.70 3.54 4.13 -1.26 -4.92 115.26 108.82 1ajw n ASN 66 Ca 0.00 0.17 -0.14 0.00 1.68 0.00 0.00 54.58 56.29 1ajw n ASN 66 Cb 0.00 -3.53 -0.08 0.00 -1.54 0.00 0.00 39.78 34.63 1ajw n ASN 66 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1ajw s VAL 67 N -2.65 0.02 0.85 2.41 1.01 -1.26 -5.16 120.40 115.63 1ajw s VAL 67 Ca 0.00 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.67 1ajw s VAL 67 Cb 0.00 -0.70 0.10 0.00 0.00 0.00 0.00 36.38 35.79 1ajw s VAL 67 CO 0.00 -0.11 1.10 -2.16 0.00 0.00 0.00 175.10 173.92 1ajw s PRO 68 N -0.69 1.59 -0.10 2.72 0.04 -1.26 -4.99 135.00 132.31 1ajw s PRO 68 Ca -0.08 1.06 0.16 0.00 0.04 0.00 0.00 61.00 62.18 1ajw s PRO 68 Cb -0.03 -1.83 -0.23 0.00 0.04 0.00 0.00 34.50 32.45 1ajw s PRO 68 CO 0.04 -2.08 0.19 0.27 0.04 0.00 0.00 177.00 175.47 1ajw n ASN 69 N -3.80 1.03 -3.99 6.66 6.94 -1.26 -4.92 115.26 115.92 1ajw n ASN 69 Ca 0.08 0.00 -0.29 0.00 -0.02 0.00 0.00 54.58 54.35 1ajw n ASN 69 Cb 0.54 1.28 -0.16 0.00 -2.36 0.00 0.00 39.78 39.07 1ajw n ASN 69 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1ajw s VAL 70 N -2.74 1.47 -0.04 3.53 1.01 -1.25 -3.00 120.40 119.38 1ajw s VAL 70 Ca -0.07 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 1ajw s VAL 70 Cb 0.07 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 35.04 1ajw s VAL 70 CO 0.69 0.40 0.14 -0.69 0.00 0.00 0.00 175.10 175.64 1ajw s VAL 71 N 1.52 0.02 -0.23 2.92 1.01 -1.24 -4.76 120.40 119.65 1ajw s VAL 71 Ca 0.04 -0.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.54 1ajw s VAL 71 Cb -0.13 -0.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.93 1ajw s VAL 71 CO -0.10 -0.11 2.15 -0.69 0.00 0.00 0.00 175.10 176.35 1ajw s VAL 72 N -0.33 3.08 0.05 2.92 1.01 -1.26 -3.16 120.40 122.71 1ajw s VAL 72 Ca -0.04 0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.87 1ajw s VAL 72 Cb -0.03 -3.11 -0.24 0.00 0.00 0.00 0.00 36.38 33.00 1ajw s VAL 72 CO 0.01 -0.07 1.15 0.71 0.00 0.00 0.00 175.10 176.90 1ajw h THR 73 N 7.05 1.32 -2.26 3.92 1.35 0.35 -3.37 112.91 121.27 1ajw h THR 73 Ca -0.40 -2.23 0.14 0.00 -0.55 0.00 0.00 66.41 63.37 1ajw h THR 73 Cb 1.23 2.49 -0.13 0.00 -1.73 0.00 0.00 68.15 70.01 1ajw h THR 73 CO 0.97 0.68 0.51 -0.60 -0.25 0.00 0.00 175.52 176.82 1ajw s ARG 74 N -3.23 0.93 -0.13 4.72 3.52 -1.19 -1.92 118.95 121.65 1ajw s ARG 74 Ca -0.11 -0.42 0.03 0.00 -0.13 0.00 0.00 55.73 55.10 1ajw s ARG 74 Cb 0.06 0.38 0.01 0.00 -1.56 0.00 0.00 34.95 33.83 1ajw s ARG 74 CO 0.89 -0.41 -0.20 -1.17 -0.81 0.00 0.00 175.30 173.60 1ajw s LEU 75 N -2.65 2.00 0.17 -0.88 0.20 -0.33 -0.92 118.68 116.28 1ajw s LEU 75 Ca 0.08 -0.55 0.07 0.00 0.69 0.00 0.00 54.13 54.42 1ajw s LEU 75 Cb -0.01 -1.34 -0.04 0.00 -0.43 0.00 0.00 46.19 44.37 1ajw s LEU 75 CO -0.05 0.08 0.02 -0.89 -0.29 0.00 0.00 176.35 175.22 1ajw s THR 76 N 0.78 3.85 -0.35 3.68 2.01 -0.35 -0.12 115.64 125.15 1ajw s THR 76 Ca -0.09 -1.37 -0.00 0.00 0.31 0.00 0.00 61.69 60.54 1ajw s THR 76 Cb -0.16 -2.94 0.13 0.00 0.01 0.00 0.00 72.50 69.54 1ajw s THR 76 CO -0.00 -0.11 0.20 -0.76 -0.69 0.00 0.00 174.62 173.25 1ajw s LEU 77 N -2.98 1.10 -0.06 4.42 1.43 -1.06 -2.26 118.68 119.26 1ajw s LEU 77 Ca 0.28 -2.05 -0.23 0.00 -1.03 0.00 0.00 54.13 51.10 1ajw s LEU 77 Cb -0.09 -0.46 -0.04 0.00 0.03 0.00 0.00 46.19 45.62 1ajw s LEU 77 CO 0.19 -0.33 0.67 -0.69 0.23 0.00 0.00 176.35 176.42 1ajw s VAL 78 N 1.20 5.03 0.00 -1.59 1.01 -1.17 -3.29 120.40 121.58 1ajw s VAL 78 Ca 0.16 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.52 1ajw s VAL 78 Cb -0.22 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1ajw s VAL 78 CO -0.06 0.29 0.21 0.00 0.00 0.00 0.00 175.10 175.53 1ajw n SER 80 N -0.19 -4.42 0.00 0.00 7.64 -1.26 -4.54 113.62 110.84 1ajw n SER 80 Ca 0.00 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.24 1ajw n SER 80 Cb 0.07 -3.83 0.00 0.00 -1.01 0.00 0.00 64.21 59.44 1ajw n SER 80 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ajw n THR 81 N -2.03 0.00 -0.26 0.44 -2.24 -1.26 -5.12 114.28 103.81 1ajw n THR 81 Ca -0.14 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.38 1ajw n THR 81 Cb 0.53 -0.26 0.24 0.00 -2.10 0.00 0.00 70.33 68.74 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 -2.08 -4.37 0.37 6.98 0.00 -1.26 -4.87 120.51 115.28 1ajw n ALA 82 Ca 0.00 -1.27 0.14 0.00 0.00 0.00 0.00 53.44 52.31 1ajw n ALA 82 Cb 0.00 -0.11 0.48 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.99 -3.48 132.00 126.66 1ajw h PRO 83 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1ajw h PRO 83 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1ajw h PRO 83 CO 0.20 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.38 1ajw n GLY 84 N 0.47 0.84 3.67 1.56 0.00 -1.26 -5.11 105.19 105.36 1ajw n GLY 84 Ca 0.03 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 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 4.26 -0.14 1.61 0.04 -1.26 -4.86 135.00 132.65 1ajw s PRO 85 Ca 0.00 1.84 -0.29 0.00 0.04 0.00 0.00 61.00 62.59 1ajw s PRO 85 Cb 0.00 -3.72 -0.04 0.00 0.04 0.00 0.00 34.50 30.78 1ajw s PRO 85 CO 0.00 -0.65 1.62 -0.51 0.04 0.00 0.00 177.00 177.49 1ajw s LEU 86 N 3.09 4.11 -0.37 -3.56 1.43 -1.21 -4.62 118.68 117.56 1ajw s LEU 86 Ca 0.61 1.92 -0.13 0.00 -1.03 0.00 0.00 54.13 55.50 1ajw s LEU 86 Cb -0.27 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.42 1ajw s LEU 86 CO 0.22 -1.07 0.25 -1.61 0.23 0.00 0.00 176.35 174.36 1ajw s GLU 87 N 4.31 3.21 -0.51 1.70 2.02 -1.24 -2.58 118.70 125.60 1ajw s GLU 87 Ca 0.72 -0.84 -0.15 0.00 0.02 0.00 0.00 54.97 54.71 1ajw s GLU 87 Cb -0.29 -3.84 0.11 0.00 0.10 0.00 0.00 34.13 30.22 1ajw s GLU 87 CO 0.28 -0.58 0.44 -1.17 0.02 0.00 0.00 175.26 174.25 1ajw s LEU 88 N 1.68 5.93 0.32 1.80 0.20 0.83 -4.84 118.68 124.59 1ajw s LEU 88 Ca 0.05 -1.66 -0.29 0.00 0.69 0.00 0.00 54.13 52.92 1ajw s LEU 88 Cb -0.18 -2.17 -0.11 0.00 -0.43 0.00 0.00 46.19 43.30 1ajw s LEU 88 CO 0.09 -0.77 1.43 -0.62 -0.29 0.00 0.00 176.35 176.20 1ajw s ASP 89 N 3.16 6.56 -0.38 3.68 -1.08 -1.26 -1.18 116.67 126.17 1ajw s ASP 89 Ca 0.04 2.83 0.13 0.00 -0.52 0.00 0.00 52.55 55.02 1ajw s ASP 89 Cb -0.28 -2.65 0.40 0.00 -1.46 0.00 0.00 42.92 38.94 1ajw s ASP 89 CO 0.04 -0.73 0.88 0.18 0.52 0.00 0.00 175.17 176.06 1ajw n LEU 90 N 1.29 1.86 0.00 -1.34 4.77 -0.81 -4.83 117.00 117.94 1ajw n LEU 90 Ca 0.03 -4.56 0.00 0.00 -0.03 0.00 0.00 56.01 51.45 1ajw n LEU 90 Cb 0.40 0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 1ajw n LEU 90 CO 0.61 1.99 -0.10 0.35 -1.33 0.00 0.00 177.39 178.91 1ajw n THR 91 N 0.00 0.00 0.00 -5.08 -2.24 -1.26 -4.50 114.28 101.20 1ajw n THR 91 Ca 0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1ajw n THR 91 Cb 0.70 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 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 1.88 0.89 3.55 3.38 0.00 -1.26 -4.92 105.19 108.72 1ajw n GLY 92 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 1.50 -0.03 1.61 8.00 -1.26 -4.67 116.55 121.69 1ajw n ASP 93 Ca 0.00 -1.18 -0.03 0.00 0.71 0.00 0.00 54.79 54.30 1ajw n ASP 93 Cb 0.00 -1.51 -0.13 0.00 -0.02 0.00 0.00 41.12 39.46 1ajw n ASP 93 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1ajw n LEU 94 N 16.62 0.39 -0.05 0.64 0.00 -1.26 -4.13 117.00 129.21 1ajw n LEU 94 Ca 0.48 0.18 0.16 0.00 0.00 0.00 0.00 56.01 56.82 1ajw n LEU 94 Cb 0.41 0.23 0.89 0.00 0.00 0.00 0.00 43.42 44.95 1ajw n LEU 94 CO 0.64 0.28 1.08 1.21 0.00 0.00 0.00 177.39 180.59 1ajw n GLU 95 N -2.74 1.06 -0.00 1.96 2.13 -1.26 -3.48 120.64 118.31 1ajw n GLU 95 Ca -0.18 -0.09 0.15 0.00 0.66 0.00 0.00 57.16 57.69 1ajw n GLU 95 Cb 0.93 -1.49 0.68 0.00 0.27 0.00 0.00 31.44 31.84 1ajw n GLU 95 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1ajw n SER 96 N -0.88 0.89 -0.04 4.31 2.88 -1.26 -3.76 113.62 115.77 1ajw n SER 96 Ca 0.23 -1.31 -0.08 0.00 -1.33 0.00 0.00 58.87 56.38 1ajw n SER 96 Cb 0.13 -0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.45 1ajw n SER 96 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1ajw n PHE 97 N -0.30 0.70 0.36 0.66 3.72 -1.23 -3.96 117.46 117.41 1ajw n PHE 97 Ca 0.21 0.25 0.09 0.00 -0.05 0.00 0.00 57.45 57.95 1ajw n PHE 97 Cb 0.25 -1.11 0.39 0.00 -0.94 0.00 0.00 39.48 38.07 1ajw n PHE 97 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1ajw n LYS 98 N -2.93 0.10 0.05 -1.08 2.85 -1.25 -2.24 118.16 113.66 1ajw n LYS 98 Ca -0.20 0.40 -0.01 0.00 -1.05 0.00 0.00 58.31 57.44 1ajw n LYS 98 Cb 1.05 -1.71 -0.07 0.00 -0.65 0.00 0.00 35.03 33.65 1ajw n LYS 98 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1ajw h LYS 99 N 0.00 0.00 0.00 -1.58 1.79 -1.76 -3.48 116.57 111.53 1ajw h LYS 99 Ca 0.00 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 1ajw h LYS 99 Cb 0.24 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.86 1ajw h LYS 99 CO 0.00 0.45 -0.10 0.00 -1.08 0.00 0.00 179.45 178.71 1ajw n GLN 100 N -3.05 0.69 -3.97 3.15 0.00 -0.95 -5.18 117.38 108.07 1ajw n GLN 100 Ca -0.07 -0.76 -0.09 0.00 0.00 0.00 0.00 57.00 56.09 1ajw n GLN 100 Cb 0.85 0.45 -0.05 0.00 0.00 0.00 0.00 30.24 31.50 1ajw n GLN 100 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1ajw s SER 101 N -1.54 -0.11 -0.27 2.61 1.04 -1.26 -4.47 113.70 109.69 1ajw s SER 101 Ca 0.05 -0.88 -0.14 0.00 0.48 0.00 0.00 55.95 55.46 1ajw s SER 101 Cb 0.00 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 1ajw s SER 101 CO 0.04 -1.15 0.33 -0.36 0.98 0.00 0.00 173.24 173.08 1ajw s PHE 102 N -4.00 3.24 -0.09 5.02 0.08 -1.17 -4.86 117.98 116.20 1ajw s PHE 102 Ca 0.21 0.33 -0.29 0.00 0.12 0.00 0.00 56.93 57.30 1ajw s PHE 102 Cb -0.01 -2.53 -0.06 0.00 -0.57 0.00 0.00 43.02 39.84 1ajw s PHE 102 CO 0.08 -0.22 1.95 0.08 -0.10 0.00 0.00 175.22 177.01 1ajw s VAL 103 N 2.00 3.19 0.36 -0.44 1.01 -1.26 -2.43 120.40 122.83 1ajw s VAL 103 Ca 0.13 0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.41 1ajw s VAL 103 Cb -0.16 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 1ajw s VAL 103 CO 0.10 -0.06 0.11 -0.76 0.00 0.00 0.00 175.10 174.49 1ajw s LEU 104 N 5.66 3.13 0.10 3.92 2.01 0.29 -4.94 118.68 128.85 1ajw s LEU 104 Ca 0.87 -0.93 -0.06 0.00 0.01 0.00 0.00 54.13 54.03 1ajw s LEU 104 Cb -0.36 -1.54 -0.05 0.00 0.01 0.00 0.00 46.19 44.25 1ajw s LEU 104 CO 0.36 -0.35 0.34 -0.54 1.01 0.00 0.00 176.35 177.18 1ajw s LYS 105 N -3.82 3.62 0.05 1.70 -0.14 -1.26 -1.33 119.74 118.55 1ajw s LYS 105 Ca 0.38 -0.08 0.00 0.00 -1.36 0.00 0.00 55.97 54.91 1ajw s LYS 105 Cb 0.00 -2.94 0.13 0.00 -1.68 0.00 0.00 37.83 33.34 1ajw s LYS 105 CO 0.22 0.53 0.27 0.39 -0.76 0.00 0.00 175.35 176.00 1ajw n GLU 106 N 0.46 -0.01 -1.42 1.68 1.02 -1.18 -3.44 120.64 117.74 1ajw n GLU 106 Ca -0.05 0.26 -0.01 0.00 -0.02 0.00 0.00 57.16 57.33 1ajw n GLU 106 Cb 0.52 -0.41 0.02 0.00 -0.02 0.00 0.00 31.44 31.55 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 -1.09 -0.13 3.74 0.62 0.00 -1.25 -0.50 105.19 106.58 1ajw n GLY 107 Ca 0.04 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 0.02 2.05 -0.90 1.61 -7.23 -1.22 -3.48 120.40 111.25 1ajw s VAL 108 Ca 0.02 0.03 -0.25 0.00 -1.81 0.00 0.00 61.98 59.97 1ajw s VAL 108 Cb 0.09 -3.01 0.04 0.00 0.56 0.00 0.00 36.38 34.05 1ajw s VAL 108 CO -0.02 -0.00 1.43 -0.70 -0.31 0.00 0.00 175.10 175.49 1ajw s GLU 109 N -3.16 3.36 0.12 4.82 2.12 -1.26 -3.39 118.70 121.30 1ajw s GLU 109 Ca 0.78 -0.70 0.06 0.00 0.36 0.00 0.00 54.97 55.47 1ajw s GLU 109 Cb -0.39 -4.88 -0.04 0.00 0.26 0.00 0.00 34.13 29.08 1ajw s GLU 109 CO 0.43 -2.27 -0.01 1.52 -0.54 0.00 0.00 175.26 174.40 1ajw s TYR 110 N 5.67 2.93 0.19 5.30 -0.85 -1.19 -4.68 117.35 124.73 1ajw s TYR 110 Ca 0.44 -0.07 0.05 0.00 -0.52 0.00 0.00 57.07 56.97 1ajw s TYR 110 Cb -0.04 -1.48 -0.04 0.00 0.38 0.00 0.00 41.96 40.78 1ajw s TYR 110 CO 0.01 0.48 0.17 1.03 -1.52 0.00 0.00 175.55 175.72 1ajw s ARG 111 N -2.49 2.95 -0.05 -3.49 0.52 -1.11 -1.42 118.95 113.86 1ajw s ARG 111 Ca 0.26 -0.90 0.05 0.00 -0.52 0.00 0.00 55.73 54.62 1ajw s ARG 111 Cb -0.11 -2.64 -0.01 0.00 0.52 0.00 0.00 34.95 32.71 1ajw s ARG 111 CO 0.18 0.46 -0.21 0.42 0.02 0.00 0.00 175.30 176.17 1ajw s ILE 112 N -1.86 1.74 -0.16 1.52 1.01 -1.22 -3.07 121.20 119.17 1ajw s ILE 112 Ca 0.32 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 60.07 1ajw s ILE 112 Cb -0.09 -1.48 0.02 0.00 0.01 0.00 0.00 42.46 40.92 1ajw s ILE 112 CO 0.24 0.49 -0.17 -0.54 0.00 0.00 0.00 174.94 174.96 1ajw s LYS 113 N -0.12 2.61 -0.13 2.79 1.02 -0.96 0.61 119.74 125.55 1ajw s LYS 113 Ca -0.02 -0.68 -0.11 0.00 0.02 0.00 0.00 55.97 55.18 1ajw s LYS 113 Cb -0.12 -2.30 -0.05 0.00 -0.52 0.00 0.00 37.83 34.84 1ajw s LYS 113 CO 0.02 -0.21 0.23 0.42 -0.92 0.00 0.00 175.35 174.90 1ajw s ILE 114 N 1.36 5.34 0.09 2.17 -1.09 -1.13 -1.21 121.20 126.74 1ajw s ILE 114 Ca 0.04 0.42 0.05 0.00 -2.23 0.00 0.00 60.65 58.93 1ajw s ILE 114 Cb -0.13 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.17 1ajw s ILE 114 CO -0.11 0.49 0.00 -0.94 -1.23 0.00 0.00 174.94 173.16 1ajw s SER 115 N -0.20 5.04 -0.27 3.58 1.04 -0.10 0.10 113.70 122.89 1ajw s SER 115 Ca 0.15 -0.18 -0.24 0.00 0.48 0.00 0.00 55.95 56.17 1ajw s SER 115 Cb -0.13 -1.21 0.09 0.00 0.10 0.00 0.00 66.02 64.87 1ajw s SER 115 CO 0.04 0.17 0.81 0.72 0.98 0.00 0.00 173.24 175.97 1ajw s PHE 116 N -1.33 -0.71 -0.07 5.02 -0.12 -1.19 0.95 117.98 120.52 1ajw s PHE 116 Ca 0.26 1.70 -0.15 0.00 -0.05 0.00 0.00 56.93 58.69 1ajw s PHE 116 Cb -0.12 0.32 -0.05 0.00 -0.63 0.00 0.00 43.02 42.55 1ajw s PHE 116 CO 0.19 -0.34 0.39 0.50 -0.05 0.00 0.00 175.22 175.90 1ajw s ARG 117 N 0.44 4.09 -0.31 1.99 3.52 -1.19 -1.67 118.95 125.82 1ajw s ARG 117 Ca 0.00 0.33 0.02 0.00 -0.13 0.00 0.00 55.73 55.95 1ajw s ARG 117 Cb -0.05 -3.32 0.09 0.00 -1.56 0.00 0.00 34.95 30.11 1ajw s ARG 117 CO -0.03 0.45 0.04 0.08 -0.81 0.00 0.00 175.30 175.04 1ajw s VAL 118 N -0.27 1.64 -0.32 7.11 1.01 -1.21 -3.62 120.40 124.75 1ajw s VAL 118 Ca 0.22 -1.79 0.13 0.00 0.00 0.00 0.00 61.98 60.54 1ajw s VAL 118 Cb -0.15 -2.16 0.46 0.00 0.00 0.00 0.00 36.38 34.54 1ajw s VAL 118 CO 0.10 -0.52 1.11 -0.46 0.00 0.00 0.00 175.10 175.33 1ajw n ASN 119 N 4.54 3.41 0.10 3.32 6.94 -1.16 -3.80 115.26 128.61 1ajw n ASN 119 Ca -0.01 -3.11 0.00 0.00 -0.02 0.00 0.00 54.58 51.43 1ajw n ASN 119 Cb 0.42 -0.44 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 -0.52 0.00 -4.30 -3.83 3.00 -1.26 -5.00 116.66 104.75 1ajw n ARG 120 Ca 0.27 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.96 1ajw n ARG 120 Cb 0.83 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 33.19 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 -1.42 1.28 0.35 -0.14 -1.05 -1.26 -4.87 118.70 111.59 1ajw s GLU 121 Ca 0.00 -1.65 -0.24 0.00 -0.15 0.00 0.00 54.97 52.93 1ajw s GLU 121 Cb 0.00 -0.43 -0.10 0.00 -0.44 0.00 0.00 34.13 33.16 1ajw s GLU 121 CO 0.00 -0.15 0.94 0.42 0.95 0.00 0.00 175.26 177.42 1ajw s ILE 122 N -3.56 4.28 -0.79 1.83 1.01 -1.26 -4.10 121.20 118.61 1ajw s ILE 122 Ca 0.29 1.71 0.02 0.00 0.00 0.00 0.00 60.65 62.67 1ajw s ILE 122 Cb 0.06 -3.89 0.23 0.00 0.01 0.00 0.00 42.46 38.88 1ajw s ILE 122 CO 0.08 0.01 0.80 0.52 0.00 0.00 0.00 174.94 176.36 1ajw n VAL 123 N 0.23 2.79 -1.81 2.92 0.31 0.31 -4.96 118.33 118.12 1ajw n VAL 123 Ca 0.03 -5.22 -0.20 0.00 -0.01 0.00 0.00 64.34 58.94 1ajw n VAL 123 Cb 0.51 -2.19 -0.08 0.00 -0.91 0.00 0.00 33.84 31.17 1ajw n VAL 123 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1ajw s SER 124 N -1.55 4.32 0.00 4.52 1.04 -1.26 -2.67 113.70 118.10 1ajw s SER 124 Ca 0.32 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1ajw s SER 124 Cb 0.04 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1ajw s SER 124 CO -0.06 -3.68 0.00 0.61 0.98 0.00 0.00 173.24 171.09 1ajw n GLY 125 N 6.40 0.22 3.72 7.32 0.00 -1.03 -4.53 105.19 117.29 1ajw n GLY 125 Ca 0.43 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 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 4.50 0.15 1.61 1.75 -0.35 0.11 119.30 127.07 1ajw s MET 126 Ca 0.00 1.71 0.05 0.00 -1.25 0.00 0.00 55.69 56.20 1ajw s MET 126 Cb 0.00 -3.34 -0.04 0.00 2.84 0.00 0.00 34.83 34.29 1ajw s MET 126 CO 0.00 -0.13 -0.11 0.21 -0.65 0.00 0.00 175.02 174.34 1ajw s LYS 127 N 0.58 1.10 -0.04 4.11 2.20 0.58 -1.10 119.74 127.17 1ajw s LYS 127 Ca 0.55 -1.45 -0.00 0.00 -0.36 0.00 0.00 55.97 54.70 1ajw s LYS 127 Cb -0.28 -0.72 0.03 0.00 -1.51 0.00 0.00 37.83 35.35 1ajw s LYS 127 CO 0.31 0.10 0.01 -0.47 -0.36 0.00 0.00 175.35 174.94 1ajw s TYR 128 N -3.18 0.29 0.36 4.03 5.04 -0.93 -2.61 117.35 120.36 1ajw s TYR 128 Ca 0.17 0.04 0.08 0.00 -2.44 0.00 0.00 57.07 54.92 1ajw s TYR 128 Cb 0.01 -0.46 -0.06 0.00 0.35 0.00 0.00 41.96 41.80 1ajw s TYR 128 CO 0.02 -0.17 0.05 0.42 -1.34 0.00 0.00 175.55 174.53 1ajw s ILE 129 N 1.38 2.48 -0.30 3.14 1.01 -1.19 0.11 121.20 127.84 1ajw s ILE 129 Ca -0.05 -1.92 -0.10 0.00 0.00 0.00 0.00 60.65 58.59 1ajw s ILE 129 Cb -0.13 -2.87 0.18 0.00 0.01 0.00 0.00 42.46 39.65 1ajw s ILE 129 CO -0.03 -0.13 0.90 -1.58 0.00 0.00 0.00 174.94 174.10 1ajw s GLN 130 N -3.76 0.33 -0.43 2.79 0.74 -1.16 -2.84 119.66 115.34 1ajw s GLN 130 Ca 0.36 0.61 -0.16 0.00 0.05 0.00 0.00 55.36 56.22 1ajw s GLN 130 Cb 0.02 0.35 0.03 0.00 1.10 0.00 0.00 33.01 34.50 1ajw s GLN 130 CO 0.20 -0.32 0.38 -1.01 -0.55 0.00 0.00 175.29 173.99 1ajw s HIS 131 N 2.86 3.20 -1.13 1.67 3.76 0.28 -3.47 115.29 122.46 1ajw s HIS 131 Ca 0.05 -0.54 -0.23 0.00 -0.15 0.00 0.00 55.06 54.20 1ajw s HIS 131 Cb -0.11 -2.82 -0.12 0.00 1.11 0.00 0.00 32.58 30.64 1ajw s HIS 131 CO -0.15 -0.68 1.95 2.41 -0.85 0.00 0.00 174.74 177.42 1ajw n THR 132 N 5.30 1.68 -2.15 1.30 -1.04 0.28 -0.97 114.28 118.68 1ajw n THR 132 Ca -0.09 -1.73 -0.42 0.00 -2.04 0.00 0.00 64.05 59.77 1ajw n THR 132 Cb 0.47 -2.16 -0.03 0.00 -1.82 0.00 0.00 70.33 66.79 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 11.23 2.70 -0.07 -1.42 1.51 0.29 -2.50 117.35 129.09 1ajw s TYR 133 Ca 0.69 0.67 0.03 0.00 -1.01 0.00 0.00 57.07 57.45 1ajw s TYR 133 Cb 0.00 -3.74 0.01 0.00 -0.11 0.00 0.00 41.96 38.12 1ajw s TYR 133 CO 0.14 -2.83 -0.15 0.50 -1.11 0.00 0.00 175.55 172.11 1ajw s ARG 134 N 2.60 1.94 -1.19 -0.62 3.52 0.28 -1.41 118.95 124.07 1ajw s ARG 134 Ca 0.66 -0.51 0.00 0.00 -0.13 0.00 0.00 55.73 55.76 1ajw s ARG 134 Cb -0.33 -1.57 0.00 0.00 -1.56 0.00 0.00 34.95 31.49 1ajw s ARG 134 CO 0.28 0.07 0.00 1.63 -0.81 0.00 0.00 175.30 176.47 1ajw n LYS 135 N 3.70 -2.03 0.00 5.12 4.76 -1.26 -0.15 118.16 128.30 1ajw n LYS 135 Ca -0.22 0.67 0.00 0.00 -2.87 0.00 0.00 58.31 55.89 1ajw n LYS 135 Cb 0.52 -5.23 0.00 0.00 -1.84 0.00 0.00 35.03 28.48 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 -0.75 3.04 3.83 0.72 0.00 -1.26 -5.03 105.19 105.74 1ajw n GLY 136 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1ajw n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ajw s VAL 137 N -2.10 4.72 0.04 1.61 0.11 0.79 -5.07 120.40 120.50 1ajw s VAL 137 Ca 0.00 -0.85 -0.24 0.00 -2.93 0.00 0.00 61.98 57.95 1ajw s VAL 137 Cb 0.00 -3.36 -0.05 0.00 -1.53 0.00 0.00 36.38 31.44 1ajw s VAL 137 CO 0.00 -0.01 0.75 -0.54 -3.33 0.00 0.00 175.10 171.97 1ajw s LYS 138 N -2.84 4.47 -0.00 1.54 3.01 -1.26 0.10 119.74 124.76 1ajw s LYS 138 Ca 0.31 1.02 0.04 0.00 -1.01 0.00 0.00 55.97 56.34 1ajw s LYS 138 Cb -0.11 -3.36 -0.06 0.00 -1.01 0.00 0.00 37.83 33.29 1ajw s LYS 138 CO 0.24 0.29 0.08 0.44 0.51 0.00 0.00 175.35 176.91 1ajw n ILE 139 N 2.81 0.00 -3.35 2.17 -5.35 -1.04 -4.89 119.36 109.72 1ajw n ILE 139 Ca -0.03 -0.10 0.02 0.00 -0.27 0.00 0.00 62.75 62.38 1ajw n ILE 139 Cb 0.50 0.44 -0.03 0.00 -1.74 0.00 0.00 39.64 38.81 1ajw n ILE 139 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1ajw s ASP 140 N -2.39 -0.86 -0.08 7.28 -1.08 -1.25 -4.99 116.67 113.30 1ajw s ASP 140 Ca -0.01 0.88 -0.03 0.00 -0.52 0.00 0.00 52.55 52.87 1ajw s ASP 140 Cb 0.02 1.86 0.05 0.00 -1.46 0.00 0.00 42.92 43.39 1ajw s ASP 140 CO 0.15 -0.16 0.16 -1.59 0.52 0.00 0.00 175.17 174.25 1ajw s LYS 141 N 2.74 0.04 0.20 4.34 -2.85 -1.26 0.98 119.74 123.94 1ajw s LYS 141 Ca 0.02 0.55 -0.05 0.00 -1.00 0.00 0.00 55.97 55.49 1ajw s LYS 141 Cb -0.10 -0.26 -0.03 0.00 -2.06 0.00 0.00 37.83 35.38 1ajw s LYS 141 CO -0.17 -0.29 0.23 0.99 0.10 0.00 0.00 175.35 176.20 1ajw s THR 142 N 2.17 0.01 0.20 3.79 2.01 -1.23 -4.96 115.64 117.63 1ajw s THR 142 Ca 0.02 -1.79 0.05 0.00 0.31 0.00 0.00 61.69 60.27 1ajw s THR 142 Cb -0.12 -2.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 1ajw s THR 142 CO -0.06 -0.06 0.26 -1.81 -0.69 0.00 0.00 174.62 172.26 1ajw s ASP 143 N -3.10 5.99 -0.30 3.53 1.11 -1.26 -2.97 116.67 119.66 1ajw s ASP 143 Ca 0.32 -0.01 0.03 0.00 0.18 0.00 0.00 52.55 53.06 1ajw s ASP 143 Cb 0.05 -1.69 0.09 0.00 1.07 0.00 0.00 42.92 42.43 1ajw s ASP 143 CO 0.10 -0.00 0.02 -0.31 1.18 0.00 0.00 175.17 176.15 1ajw s TYR 144 N -1.90 3.12 -0.03 4.23 1.51 0.30 -4.91 117.35 119.67 1ajw s TYR 144 Ca 0.33 -2.49 -0.30 0.00 -1.01 0.00 0.00 57.07 53.61 1ajw s TYR 144 Cb -0.10 -2.35 -0.06 0.00 -0.11 0.00 0.00 41.96 39.34 1ajw s TYR 144 CO 0.27 -0.90 1.71 1.41 -1.11 0.00 0.00 175.55 176.93 1ajw s MET 145 N 1.13 4.18 -0.01 -0.62 1.75 -1.26 -2.18 119.30 122.29 1ajw s MET 145 Ca 0.05 2.27 -0.01 0.00 -1.25 0.00 0.00 55.69 56.76 1ajw s MET 145 Cb -0.19 -3.99 -0.00 0.00 2.84 0.00 0.00 34.83 33.49 1ajw s MET 145 CO -0.10 -0.86 -0.01 0.28 -0.65 0.00 0.00 175.02 173.68 1ajw n VAL 146 N 5.44 0.06 -3.37 10.11 0.31 -0.26 -5.01 118.33 125.62 1ajw n VAL 146 Ca 0.18 0.49 0.00 0.00 -0.01 0.00 0.00 64.34 64.99 1ajw n VAL 146 Cb 0.42 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 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 1.57 -0.44 3.68 2.92 0.00 -1.24 -4.97 105.19 106.72 1ajw n GLY 147 Ca -0.00 -1.26 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 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 6.48 -0.07 1.61 1.04 -1.26 -1.21 113.70 116.29 1ajw s SER 148 Ca 0.00 0.57 0.02 0.00 0.48 0.00 0.00 55.95 57.02 1ajw s SER 148 Cb 0.00 -2.24 -0.02 0.00 0.10 0.00 0.00 66.02 63.85 1ajw s SER 148 CO 0.00 -0.07 -0.13 -0.31 0.98 0.00 0.00 173.24 173.72 1ajw s TYR 149 N 1.21 2.77 0.14 5.02 1.51 -1.09 -4.92 117.35 121.98 1ajw s TYR 149 Ca 0.20 -0.23 0.11 0.00 -1.01 0.00 0.00 57.07 56.14 1ajw s TYR 149 Cb -0.15 -1.69 -0.04 0.00 -0.11 0.00 0.00 41.96 39.97 1ajw s TYR 149 CO 0.08 0.12 -0.26 0.20 -1.11 0.00 0.00 175.55 174.58 1ajw s GLY 150 N -0.50 1.60 -0.30 0.71 0.00 -1.26 0.11 107.32 107.69 1ajw s GLY 150 Ca 0.07 -1.49 -0.29 0.00 0.00 0.00 0.00 44.72 43.01 1ajw s GLY 150 CO 0.02 -1.48 1.38 2.56 0.00 0.00 0.00 173.10 175.58 1ajw s PRO 151 N -2.15 3.85 -0.11 2.90 0.04 -1.26 -4.87 135.00 133.40 1ajw s PRO 151 Ca 0.15 1.29 -0.12 0.00 0.04 0.00 0.00 61.00 62.37 1ajw s PRO 151 Cb -0.10 -3.93 -0.05 0.00 0.04 0.00 0.00 34.50 30.47 1ajw s PRO 151 CO 0.07 -1.21 -0.24 -2.13 0.04 0.00 0.00 177.00 173.53 1ajw n ARG 152 N 7.47 0.36 0.00 4.56 3.00 -1.25 -4.92 116.66 125.89 1ajw n ARG 152 Ca 0.16 0.15 0.00 0.00 -0.00 0.00 0.00 57.85 58.15 1ajw n ARG 152 Cb 0.46 -1.13 0.00 0.00 0.00 0.00 0.00 32.46 31.79 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 -4.09 0.00 -3.00 5.13 0.00 -1.26 -5.09 120.51 112.20 1ajw n ALA 153 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1ajw n ALA 153 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.85 2.02 -3.46 0.00 4.07 -1.26 -4.93 120.64 116.24 1ajw n GLU 154 Ca 0.00 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.91 1ajw n GLU 154 Cb 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.37 1ajw n GLU 154 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1ajw s GLU 155 N 1.56 2.96 0.00 5.31 -1.05 -1.26 -3.30 118.70 122.92 1ajw s GLU 155 Ca 0.00 -1.14 0.00 0.00 -0.15 0.00 0.00 54.97 53.68 1ajw s GLU 155 Cb 0.00 -2.72 0.00 0.00 -0.44 0.00 0.00 34.13 30.97 1ajw s GLU 155 CO 0.00 -0.01 0.00 0.66 0.95 0.00 0.00 175.26 176.86 1ajw n TYR 156 N -1.62 -0.39 -3.44 4.83 4.01 -0.67 -4.93 117.16 114.96 1ajw n TYR 156 Ca 0.01 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.62 1ajw n TYR 156 Cb 0.59 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.51 1ajw n TYR 156 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1ajw s GLU 157 N -0.65 0.27 0.89 -0.72 2.02 -1.26 -3.19 118.70 116.07 1ajw s GLU 157 Ca 0.00 0.43 -0.12 0.00 0.02 0.00 0.00 54.97 55.30 1ajw s GLU 157 Cb 0.00 -0.73 0.13 0.00 0.10 0.00 0.00 34.13 33.63 1ajw s GLU 157 CO 0.00 -0.61 1.09 0.12 0.02 0.00 0.00 175.26 175.88 1ajw s PHE 158 N 2.45 2.38 -0.22 1.61 5.36 0.28 -4.83 117.98 125.02 1ajw s PHE 158 Ca 0.09 1.19 -0.04 0.00 -0.96 0.00 0.00 56.93 57.22 1ajw s PHE 158 Cb -0.15 -3.18 0.10 0.00 -0.34 0.00 0.00 43.02 39.45 1ajw s PHE 158 CO -0.14 -2.36 0.25 -1.17 -1.46 0.00 0.00 175.22 170.34 1ajw s LEU 159 N -6.17 -0.18 0.21 6.12 0.20 -1.26 -2.84 118.68 114.77 1ajw s LEU 159 Ca 0.63 -0.22 -0.16 0.00 0.69 0.00 0.00 54.13 55.07 1ajw s LEU 159 Cb -0.17 0.48 -0.08 0.00 -0.43 0.00 0.00 46.19 45.99 1ajw s LEU 159 CO 0.56 -0.33 0.66 0.42 -0.29 0.00 0.00 176.35 177.37 1ajw s THR 160 N 2.36 4.71 0.19 3.68 -4.23 0.20 -4.96 115.64 117.59 1ajw s THR 160 Ca 0.08 1.02 -0.03 0.00 -1.18 0.00 0.00 61.69 61.58 1ajw s THR 160 Cb -0.16 -3.76 0.05 0.00 1.34 0.00 0.00 72.50 69.97 1ajw s THR 160 CO -0.14 0.14 0.14 -0.81 -0.54 0.00 0.00 174.62 173.40 1ajw n PRO 161 N 0.51 -1.80 -0.92 3.99 -0.04 -1.26 -3.39 135.00 132.09 1ajw n PRO 161 Ca -0.02 -0.23 -0.33 0.00 -0.04 0.00 0.00 63.50 62.87 1ajw n PRO 161 Cb 0.52 -0.25 0.12 0.00 -0.04 0.00 0.00 33.50 33.84 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 -2.23 -0.12 -3.19 0.54 0.00 -1.26 -4.39 117.12 106.47 1ajw n MET 162 Ca 0.02 0.02 0.02 0.00 0.00 0.00 0.00 57.70 57.76 1ajw n MET 162 Cb 0.08 -1.99 -0.01 0.00 0.00 0.00 0.00 33.22 31.31 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 -3.63 0.73 0.20 3.17 2.12 -0.51 -4.91 118.70 115.87 1ajw s GLU 163 Ca 0.62 0.02 -0.30 0.00 0.36 0.00 0.00 54.97 55.66 1ajw s GLU 163 Cb -0.25 0.15 -0.09 0.00 0.26 0.00 0.00 34.13 34.19 1ajw s GLU 163 CO 0.62 -1.14 1.41 -1.83 -0.54 0.00 0.00 175.26 173.78 1ajw s GLU 164 N 2.18 4.30 0.73 4.30 4.04 -1.26 -3.14 118.70 129.86 1ajw s GLU 164 Ca 0.14 2.20 -0.11 0.00 0.04 0.00 0.00 54.97 57.24 1ajw s GLU 164 Cb -0.06 -3.17 0.04 0.00 0.02 0.00 0.00 34.13 30.96 1ajw s GLU 164 CO -0.14 -0.40 1.10 0.00 -1.84 0.00 0.00 175.26 173.99 1ajw s ALA 165 N 0.41 2.86 -0.18 -0.84 0.00 -1.22 -4.94 121.76 117.85 1ajw s ALA 165 Ca 0.61 -0.52 -0.29 0.00 0.00 0.00 0.00 51.96 51.76 1ajw s ALA 165 Cb -0.40 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1ajw s ALA 165 CO 0.37 -1.31 1.46 -1.25 0.00 0.00 0.00 175.76 175.04 1ajw s PRO 166 N -5.40 4.02 0.45 0.00 0.04 -1.23 -3.96 135.00 128.93 1ajw s PRO 166 Ca 0.59 1.70 0.07 0.00 0.04 0.00 0.00 61.00 63.40 1ajw s PRO 166 Cb -0.11 -3.92 -0.01 0.00 0.04 0.00 0.00 34.50 30.51 1ajw s PRO 166 CO 0.50 -1.00 0.38 -1.59 0.04 0.00 0.00 177.00 175.33 1ajw s LYS 167 N 4.11 2.42 0.00 4.56 -2.85 0.35 -4.50 119.74 123.83 1ajw s LYS 167 Ca 0.64 -1.69 0.00 0.00 -1.00 0.00 0.00 55.97 53.92 1ajw s LYS 167 Cb -0.24 -2.28 0.00 0.00 -2.06 0.00 0.00 37.83 33.25 1ajw s LYS 167 CO 0.24 -0.31 0.00 0.41 0.10 0.00 0.00 175.35 175.78 1ajw n GLY 168 N -1.59 3.74 0.29 0.59 0.00 -1.26 -4.36 105.19 102.59 1ajw n GLY 168 Ca 0.02 -1.70 0.12 0.00 0.00 0.00 0.00 46.02 44.47 1ajw n GLY 168 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1ajw h MET 169 N 0.00 0.00 0.00 1.61 4.05 -1.99 -1.89 114.93 116.71 1ajw h MET 169 Ca 0.00 0.00 -0.28 0.00 -0.28 0.00 0.00 59.70 59.14 1ajw h MET 169 Cb 0.00 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 30.75 1ajw h MET 169 CO 0.00 0.00 -1.87 1.28 0.23 0.00 0.00 176.91 176.55 1ajw n LEU 170 N -4.19 0.58 0.31 3.39 7.99 -1.26 -4.07 117.00 119.75 1ajw n LEU 170 Ca -0.02 0.27 0.19 0.00 -0.01 0.00 0.00 56.01 56.45 1ajw n LEU 170 Cb 0.15 0.24 1.04 0.00 -0.11 0.00 0.00 43.42 44.74 1ajw n LEU 170 CO 0.31 0.36 1.16 0.00 -1.51 0.00 0.00 177.39 177.71 1ajw h ALA 171 N 1.12 1.28 -2.88 -1.18 0.00 -1.54 -3.42 119.26 112.64 1ajw h ALA 171 Ca -0.33 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.05 1ajw h ALA 171 Cb 1.96 0.00 0.09 0.00 0.00 0.00 0.00 17.79 19.84 1ajw h ALA 171 CO 0.06 -0.09 0.77 1.03 0.00 0.00 0.00 179.25 181.01 1ajw s ARG 172 N -4.32 4.18 0.00 0.00 0.52 -1.18 -4.75 118.95 113.40 1ajw s ARG 172 Ca -0.05 2.47 0.00 0.00 -0.52 0.00 0.00 55.73 57.63 1ajw s ARG 172 Cb 0.13 -3.01 0.00 0.00 0.52 0.00 0.00 34.95 32.59 1ajw s ARG 172 CO 0.44 -0.47 0.00 0.41 0.02 0.00 0.00 175.30 175.70 1ajw n GLY 173 N 1.03 1.24 3.73 -3.53 0.00 -1.19 -4.91 105.19 101.57 1ajw n GLY 173 Ca 0.03 -1.76 -0.39 0.00 0.00 0.00 0.00 46.02 43.90 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 6.91 -0.33 1.61 1.04 -1.26 -1.18 113.70 120.49 1ajw s SER 174 Ca 0.00 1.09 -0.04 0.00 0.48 0.00 0.00 55.95 57.48 1ajw s SER 174 Cb 0.00 -2.37 0.06 0.00 0.10 0.00 0.00 66.02 63.81 1ajw s SER 174 CO 0.00 -0.02 0.07 -0.31 0.98 0.00 0.00 173.24 173.96 1ajw s TYR 175 N 0.44 3.31 0.29 5.02 1.51 0.13 -4.78 117.35 123.27 1ajw s TYR 175 Ca 0.33 -1.80 -0.29 0.00 -1.01 0.00 0.00 57.07 54.30 1ajw s TYR 175 Cb -0.17 -2.33 -0.10 0.00 -0.11 0.00 0.00 41.96 39.24 1ajw s TYR 175 CO 0.16 -0.80 1.35 1.21 -1.11 0.00 0.00 175.55 176.35 1ajw s ASN 176 N 1.40 6.74 -0.03 2.29 3.84 -0.50 -0.58 114.94 128.10 1ajw s ASN 176 Ca -0.02 2.66 0.04 0.00 0.21 0.00 0.00 52.86 55.74 1ajw s ASN 176 Cb -0.20 -2.64 -0.00 0.00 -0.55 0.00 0.00 41.25 37.86 1ajw s ASN 176 CO -0.00 -0.59 -0.14 -0.63 -2.79 0.00 0.00 177.10 172.95 1ajw s ILE 177 N -0.67 1.15 -0.40 -5.21 1.01 0.53 0.11 121.20 117.72 1ajw s ILE 177 Ca 0.53 -0.57 -0.08 0.00 0.00 0.00 0.00 60.65 60.54 1ajw s ILE 177 Cb -0.40 -1.00 0.08 0.00 0.01 0.00 0.00 42.46 41.15 1ajw s ILE 177 CO 0.49 0.34 0.22 -0.75 0.00 0.00 0.00 174.94 175.23 1ajw s LYS 178 N 0.08 2.51 -0.17 2.79 2.20 -0.14 -2.10 119.74 124.91 1ajw s LYS 178 Ca -0.03 -1.47 -0.06 0.00 -0.36 0.00 0.00 55.97 54.06 1ajw s LYS 178 Cb -0.10 -3.68 -0.03 0.00 -1.51 0.00 0.00 37.83 32.51 1ajw s LYS 178 CO 0.01 -0.92 0.01 -1.54 -0.36 0.00 0.00 175.35 172.56 1ajw s SER 179 N 1.95 5.20 -0.44 1.43 1.04 -1.18 0.98 113.70 122.67 1ajw s SER 179 Ca 0.03 -0.04 0.02 0.00 0.48 0.00 0.00 55.95 56.44 1ajw s SER 179 Cb -0.22 -1.87 0.13 0.00 0.10 0.00 0.00 66.02 64.15 1ajw s SER 179 CO 0.01 0.16 0.22 -0.60 0.98 0.00 0.00 173.24 174.01 1ajw s ARG 180 N 0.44 1.44 -0.58 4.02 3.52 -1.13 -2.00 118.95 124.66 1ajw s ARG 180 Ca -0.00 -2.08 -0.27 0.00 -0.13 0.00 0.00 55.73 53.24 1ajw s ARG 180 Cb -0.13 -2.64 0.01 0.00 -1.56 0.00 0.00 34.95 30.62 1ajw s ARG 180 CO 0.02 -1.11 1.52 0.12 -0.81 0.00 0.00 175.30 175.03 1ajw s PHE 181 N 0.33 2.12 0.33 5.12 2.19 -0.43 -3.16 117.98 124.48 1ajw s PHE 181 Ca 0.16 0.48 0.08 0.00 0.33 0.00 0.00 56.93 57.98 1ajw s PHE 181 Cb -0.24 -4.34 -0.06 0.00 -1.31 0.00 0.00 43.02 37.07 1ajw s PHE 181 CO -0.03 -2.13 -0.06 0.95 1.83 0.00 0.00 175.22 175.79 1ajw s THR 182 N 6.72 1.95 0.34 0.12 -4.23 -1.07 -2.50 115.64 116.97 1ajw s THR 182 Ca 0.55 -2.14 0.09 0.00 -1.18 0.00 0.00 61.69 59.01 1ajw s THR 182 Cb -0.12 -2.63 -0.05 0.00 1.34 0.00 0.00 72.50 71.04 1ajw s THR 182 CO 0.23 -0.20 0.02 1.51 -0.54 0.00 0.00 174.62 175.64 1ajw s ASP 183 N -3.56 4.22 -0.95 3.99 -4.77 -1.25 -0.30 116.67 114.05 1ajw s ASP 183 Ca 0.32 -0.96 -0.06 0.00 -3.30 0.00 0.00 52.55 48.55 1ajw s ASP 183 Cb 0.04 -0.56 -0.01 0.00 -1.09 0.00 0.00 42.92 41.30 1ajw s ASP 183 CO 0.15 -0.23 2.84 -0.67 0.70 0.00 0.00 175.17 177.96 1ajw n ASP 184 N -0.96 7.35 0.00 2.11 2.03 0.29 -4.41 116.55 122.96 1ajw n ASP 184 Ca -0.04 -2.91 0.00 0.00 0.52 0.00 0.00 54.79 52.36 1ajw n ASP 184 Cb 0.62 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 1ajw n ASP 184 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1ajw n ASP 185 N 2.09 0.00 -0.40 1.67 2.03 -1.26 -4.84 116.55 115.84 1ajw n ASP 185 Ca 0.60 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.90 1ajw n ASP 185 Cb 0.44 -0.03 -0.01 0.00 -0.72 0.00 0.00 41.12 40.79 1ajw n ASP 185 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ajw n ARG 186 N -1.77 0.00 -2.25 -0.67 5.12 -1.26 -5.17 116.66 110.66 1ajw n ARG 186 Ca 0.00 -0.16 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 1ajw n ARG 186 Cb 0.00 0.16 0.00 0.00 -1.16 0.00 0.00 32.46 31.47 1ajw n ARG 186 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 1ajw n THR 187 N 0.00 0.00 -3.96 0.55 5.66 -1.26 -5.14 114.28 110.13 1ajw n THR 187 Ca -0.04 -0.09 -0.34 0.00 -3.05 0.00 0.00 64.05 60.52 1ajw n THR 187 Cb 0.31 0.17 -0.14 0.00 -1.55 0.00 0.00 70.33 69.12 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 -1.70 4.05 0.12 1.09 1.11 -1.26 -3.80 116.67 116.28 1ajw s ASP 188 Ca 0.07 -0.57 -0.21 0.00 0.18 0.00 0.00 52.55 52.03 1ajw s ASP 188 Cb -0.00 -1.66 -0.06 0.00 1.07 0.00 0.00 42.92 42.27 1ajw s ASP 188 CO 0.01 -0.04 1.71 0.45 1.18 0.00 0.00 175.17 178.47 1ajw h HIS 189 N 8.05 -0.08 -1.81 4.23 3.86 -1.81 -3.46 115.15 124.14 1ajw h HIS 189 Ca -0.40 0.01 0.09 0.00 -1.16 0.00 0.00 60.37 58.91 1ajw h HIS 189 Cb 1.14 0.06 -0.20 0.00 1.06 0.00 0.00 27.41 29.47 1ajw h HIS 189 CO 0.56 -0.06 0.53 -1.17 0.86 0.00 0.00 177.93 178.64 1ajw s LEU 190 N -10.35 -0.37 -0.18 2.43 2.96 -1.04 -4.86 118.68 107.27 1ajw s LEU 190 Ca -0.13 0.26 -0.18 0.00 -0.22 0.00 0.00 54.13 53.86 1ajw s LEU 190 Cb 0.09 1.92 0.05 0.00 0.50 0.00 0.00 46.19 48.75 1ajw s LEU 190 CO 0.68 -0.44 0.51 -0.44 -1.32 0.00 0.00 176.35 175.34 1ajw s SER 191 N -1.61 -0.52 0.00 3.68 0.01 -1.26 -1.32 113.70 112.68 1ajw s SER 191 Ca 0.01 0.97 0.00 0.00 1.31 0.00 0.00 55.95 58.24 1ajw s SER 191 Cb -0.01 0.99 0.00 0.00 0.21 0.00 0.00 66.02 67.21 1ajw s SER 191 CO -0.02 -0.21 0.00 -2.67 0.41 0.00 0.00 173.24 170.75 1ajw n TRP 192 N 2.64 0.00 -3.65 2.43 2.14 -0.85 -5.01 117.44 115.14 1ajw n TRP 192 Ca -0.14 0.00 -0.08 0.00 2.07 0.00 0.00 57.50 59.35 1ajw n TRP 192 Cb 0.56 0.00 -0.08 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 1.54 0.62 0.02 -2.67 4.04 -1.26 -3.11 118.70 117.87 1ajw s GLU 193 Ca 0.00 1.12 0.01 0.00 0.04 0.00 0.00 54.97 56.14 1ajw s GLU 193 Cb 0.00 0.13 -0.02 0.00 0.02 0.00 0.00 34.13 34.26 1ajw s GLU 193 CO 0.00 -0.16 -0.05 1.67 -1.84 0.00 0.00 175.26 174.89 1ajw s TRP 194 N 1.64 0.41 0.27 4.83 1.48 -0.89 -4.44 118.94 122.24 1ajw s TRP 194 Ca -0.10 -0.37 0.01 0.00 -1.06 0.00 0.00 56.10 54.59 1ajw s TRP 194 Cb -0.06 -0.26 -0.04 0.00 -1.16 0.00 0.00 33.47 31.95 1ajw s TRP 194 CO -0.18 -0.09 0.44 -0.80 -4.06 0.00 0.00 176.95 172.26 1ajw s ASN 195 N -1.07 6.33 -0.21 -2.66 -0.87 -1.26 -0.35 114.94 114.85 1ajw s ASN 195 Ca -0.08 0.33 0.00 0.00 -1.57 0.00 0.00 52.86 51.53 1ajw s ASN 195 Cb -0.07 -1.98 0.05 0.00 -0.02 0.00 0.00 41.25 39.24 1ajw s ASN 195 CO -0.00 -0.14 -0.05 -0.22 -2.57 0.00 0.00 177.10 174.11 1ajw s LEU 196 N -3.87 2.22 -0.30 0.60 2.96 0.25 -3.05 118.68 117.49 1ajw s LEU 196 Ca 0.38 -1.01 -0.19 0.00 -0.22 0.00 0.00 54.13 53.09 1ajw s LEU 196 Cb -0.10 -1.08 -0.01 0.00 0.50 0.00 0.00 46.19 45.50 1ajw s LEU 196 CO 0.32 -0.22 0.57 -0.89 -1.32 0.00 0.00 176.35 174.81 1ajw s THR 197 N 1.48 4.99 0.06 3.68 2.01 -1.02 0.19 115.64 127.03 1ajw s THR 197 Ca -0.04 0.77 -0.18 0.00 0.31 0.00 0.00 61.69 62.55 1ajw s THR 197 Cb -0.18 -3.94 -0.06 0.00 0.01 0.00 0.00 72.50 68.32 1ajw s THR 197 CO -0.07 -0.09 0.54 -0.63 -0.69 0.00 0.00 174.62 173.68 1ajw s ILE 198 N 2.48 4.80 0.00 1.82 -1.09 -0.32 0.10 121.20 128.99 1ajw s ILE 198 Ca 0.23 1.15 0.00 0.00 -2.23 0.00 0.00 60.65 59.80 1ajw s ILE 198 Cb -0.15 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 36.86 1ajw s ILE 198 CO 0.11 0.56 0.00 1.17 -1.23 0.00 0.00 174.94 175.55 1ajw n LYS 199 N 1.76 1.09 -0.05 2.79 4.81 -0.44 -3.15 118.16 124.97 1ajw n LYS 199 Ca -0.11 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.29 1ajw n LYS 199 Cb 0.51 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.55 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 0.33 -3.44 1.64 3.00 -1.26 -3.13 118.16 115.30 1ajw n LYS 200 Ca 0.00 0.33 -0.07 0.00 -0.00 0.00 0.00 58.31 58.57 1ajw n LYS 200 Cb 0.00 -1.31 -0.07 0.00 0.00 0.00 0.00 35.03 33.65 1ajw n LYS 200 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1ajw s GLU 201 N -2.04 0.38 0.00 1.64 2.02 -1.26 -4.57 118.70 114.87 1ajw s GLU 201 Ca -0.14 0.81 0.09 0.00 0.02 0.00 0.00 54.97 55.75 1ajw s GLU 201 Cb 0.02 -0.00 0.55 0.00 0.10 0.00 0.00 34.13 34.79 1ajw s GLU 201 CO 0.21 -0.49 1.35 -2.67 0.02 0.00 0.00 175.26 173.68 1ajw n TRP 202 N 5.39 0.00 -2.51 1.61 2.14 -1.26 -4.05 117.44 118.76 1ajw n TRP 202 Ca -0.05 -0.00 -0.01 0.00 2.07 0.00 0.00 57.50 59.50 1ajw n TRP 202 Cb 0.50 0.00 0.06 0.00 -0.81 0.00 0.00 31.31 31.06 1ajw n TRP 202 CO 0.00 0.00 0.00 1.17 2.07 0.00 0.00 177.69 180.93 1ajw n LYS 203 N -0.64 0.67 0.00 -2.67 3.00 -1.26 -4.75 118.16 112.51 1ajw n LYS 203 Ca 0.07 -0.65 0.00 0.00 -0.00 0.00 0.00 58.31 57.73 1ajw n LYS 203 Cb 0.03 0.26 0.00 0.00 0.00 0.00 0.00 35.03 35.33 1ajw n LYS 203 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93