#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1g s SER 2 N 0.00 -0.27 -0.30 1.61 0.01 -1.26 -5.16 113.70 108.33 1x1g s SER 2 Ca 0.00 0.10 -0.18 0.00 1.31 0.00 0.00 55.95 57.18 1x1g s SER 2 Cb 0.00 0.26 0.17 0.00 0.21 0.00 0.00 66.02 66.67 1x1g s SER 2 CO 0.00 -0.39 1.25 -0.55 0.41 0.00 0.00 173.24 173.96 1x1g s SER 3 N -1.94 -0.05 0.00 2.44 0.15 -1.26 -5.09 113.70 107.95 1x1g s SER 3 Ca 0.05 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1x1g s SER 3 Cb -0.01 1.04 0.00 0.00 -1.71 0.00 0.00 66.02 65.34 1x1g s SER 3 CO -0.05 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1x1g n GLY 4 N 5.42 0.16 2.62 9.45 0.00 -1.26 -5.13 105.19 116.45 1x1g n GLY 4 Ca -0.09 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 1x1g n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x1g n SER 5 N 0.00 -2.33 -3.47 1.61 3.41 -1.26 -5.10 113.62 106.48 1x1g n SER 5 Ca 0.00 -2.74 0.01 0.00 -0.26 0.00 0.00 58.87 55.88 1x1g n SER 5 Cb 0.00 0.91 -0.05 0.00 -0.26 0.00 0.00 64.21 64.81 1x1g n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x1g s SER 6 N 0.42 -0.39 0.00 4.04 0.15 -1.26 -5.15 113.70 111.50 1x1g s SER 6 Ca 0.31 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.53 1x1g s SER 6 Cb 0.03 1.34 0.00 0.00 -1.71 0.00 0.00 66.02 65.68 1x1g s SER 6 CO -0.11 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1x1g n GLY 7 N 4.27 2.67 1.15 9.45 0.00 -1.26 -5.11 105.19 116.37 1x1g n GLY 7 Ca -0.12 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1x1g n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x1g n SER 8 N 0.00 -1.53 -3.19 1.61 2.88 -1.26 -5.08 113.62 107.05 1x1g n SER 8 Ca 0.00 0.48 0.01 0.00 -1.33 0.00 0.00 58.87 58.03 1x1g n SER 8 Cb 0.00 1.66 -0.01 0.00 -0.75 0.00 0.00 64.21 65.11 1x1g n SER 8 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1x1g s LEU 9 N -5.81 -1.50 -0.43 2.46 2.96 -1.26 -5.05 118.68 110.05 1x1g s LEU 9 Ca 0.00 -0.31 0.08 0.00 -0.22 0.00 0.00 54.13 53.68 1x1g s LEU 9 Cb 0.00 1.91 0.29 0.00 0.50 0.00 0.00 46.19 48.89 1x1g s LEU 9 CO 0.00 -0.25 0.85 -0.24 -1.32 0.00 0.00 176.35 175.39 1x1g n SER 10 N 4.96 -1.25 -2.85 3.68 2.88 -1.26 -5.13 113.62 114.65 1x1g n SER 10 Ca 0.07 -3.23 -0.15 0.00 -1.33 0.00 0.00 58.87 54.23 1x1g n SER 10 Cb 0.55 0.80 -0.05 0.00 -0.75 0.00 0.00 64.21 64.76 1x1g n SER 10 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1x1g n THR 11 N 0.90 0.00 0.00 2.46 5.66 -1.26 -5.07 114.28 116.96 1x1g n THR 11 Ca 0.14 -1.57 0.00 0.00 -3.05 0.00 0.00 64.05 59.57 1x1g n THR 11 Cb 0.64 0.64 0.00 0.00 -1.55 0.00 0.00 70.33 70.05 1x1g n THR 11 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1x1g n VAL 12 N -0.54 0.00 -0.24 1.08 3.14 -1.26 -4.84 118.33 115.67 1x1g n VAL 12 Ca -0.01 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.32 1x1g n VAL 12 Cb 0.40 -0.06 0.09 0.00 -1.06 0.00 0.00 33.84 33.22 1x1g n VAL 12 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1x1g h GLU 13 N 0.00 1.09 -0.14 1.45 3.07 -1.97 -0.55 114.58 117.53 1x1g h GLU 13 Ca 0.00 -0.22 0.00 0.00 -0.50 0.00 0.00 59.36 58.64 1x1g h GLU 13 Cb 0.00 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 27.75 1x1g h GLU 13 CO 0.00 0.92 0.00 1.28 -1.40 0.00 0.00 179.01 179.81 1x1g n LEU 14 N -4.26 1.00 -2.56 1.33 4.77 -1.26 -3.95 117.00 112.07 1x1g n LEU 14 Ca 0.06 -0.46 -0.35 0.00 -0.03 0.00 0.00 56.01 55.23 1x1g n LEU 14 Cb 0.22 -0.09 0.05 0.00 -2.33 0.00 0.00 43.42 41.26 1x1g n LEU 14 CO 0.41 0.23 1.49 -1.54 -1.33 0.00 0.00 177.39 176.65 1x1g n SER 15 N -0.05 7.48 -4.50 -1.43 3.41 -0.21 -4.94 113.62 113.37 1x1g n SER 15 Ca 0.11 -3.72 -0.25 0.00 -0.26 0.00 0.00 58.87 54.74 1x1g n SER 15 Cb 0.19 -1.04 -0.10 0.00 -0.26 0.00 0.00 64.21 63.00 1x1g n SER 15 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x1g s GLY 16 N -1.24 1.76 -0.07 5.00 0.00 -1.25 -4.06 107.32 107.45 1x1g s GLY 16 Ca 0.57 -1.67 -0.30 0.00 0.00 0.00 0.00 44.72 43.32 1x1g s GLY 16 CO -0.19 -1.72 1.49 -1.59 0.00 0.00 0.00 173.10 171.09 1x1g s THR 17 N -2.01 3.80 0.02 0.90 2.01 0.31 -4.43 115.64 116.25 1x1g s THR 17 Ca 0.26 1.02 -0.32 0.00 0.31 0.00 0.00 61.69 62.96 1x1g s THR 17 Cb -0.07 -3.66 -0.11 0.00 0.01 0.00 0.00 72.50 68.67 1x1g s THR 17 CO 0.14 -0.07 1.87 0.52 -0.69 0.00 0.00 174.62 176.39 1x1g n VAL 18 N 5.28 0.54 -0.04 3.82 0.31 -1.26 0.45 118.33 127.44 1x1g n VAL 18 Ca 0.15 -0.10 -0.02 0.00 -0.01 0.00 0.00 64.34 64.37 1x1g n VAL 18 Cb 0.43 -2.03 -0.08 0.00 -0.91 0.00 0.00 33.84 31.25 1x1g n VAL 18 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1x1g n VAL 19 N 5.01 0.49 -3.65 2.52 0.24 0.16 -4.89 118.33 118.21 1x1g n VAL 19 Ca 0.20 -0.37 -0.14 0.00 -2.04 0.00 0.00 64.34 61.99 1x1g n VAL 19 Cb 0.35 -0.45 -0.08 0.00 -1.47 0.00 0.00 33.84 32.18 1x1g n VAL 19 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1x1g s LYS 20 N -2.38 0.76 -0.01 7.34 2.47 -1.07 -5.01 119.74 121.84 1x1g s LYS 20 Ca -0.05 0.75 -0.07 0.00 -1.56 0.00 0.00 55.97 55.04 1x1g s LYS 20 Cb 0.04 0.37 0.00 0.00 -1.46 0.00 0.00 37.83 36.78 1x1g s LYS 20 CO 0.42 -0.12 0.15 -0.65 0.16 0.00 0.00 175.35 175.31 1x1g s GLN 21 N 0.09 0.44 0.00 4.03 -0.21 -1.26 0.20 119.66 122.95 1x1g s GLN 21 Ca -0.02 -0.28 0.00 0.00 0.02 0.00 0.00 55.36 55.09 1x1g s GLN 21 Cb -0.04 0.19 0.00 0.00 1.00 0.00 0.00 33.01 34.16 1x1g s GLN 21 CO 0.02 -0.10 0.00 0.41 -2.12 0.00 0.00 175.29 173.50 1x1g n GLY 22 N 1.72 -0.93 3.17 3.09 0.00 -0.81 -5.01 105.19 106.41 1x1g n GLY 22 Ca -0.21 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 1x1g n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x1g s TYR 23 N -3.00 2.80 0.38 1.61 1.51 -1.26 -0.21 117.35 119.18 1x1g s TYR 23 Ca 0.00 -1.43 0.08 0.00 -1.01 0.00 0.00 57.07 54.71 1x1g s TYR 23 Cb 0.00 -1.93 -0.06 0.00 -0.11 0.00 0.00 41.96 39.86 1x1g s TYR 23 CO 0.00 -0.71 0.09 -0.51 -1.11 0.00 0.00 175.55 173.31 1x1g s LEU 24 N 1.21 3.04 -0.30 -1.29 1.43 0.24 -4.03 118.68 118.99 1x1g s LEU 24 Ca 0.03 -1.07 -0.05 0.00 -1.03 0.00 0.00 54.13 52.01 1x1g s LEU 24 Cb -0.14 -1.35 0.03 0.00 0.03 0.00 0.00 46.19 44.76 1x1g s LEU 24 CO -0.09 -0.40 0.04 0.00 0.23 0.00 0.00 176.35 176.13 1x1g s ALA 25 N -2.57 2.93 -0.53 4.21 0.00 -1.07 0.18 121.76 124.91 1x1g s ALA 25 Ca 0.38 -1.59 -0.15 0.00 0.00 0.00 0.00 51.96 50.59 1x1g s ALA 25 Cb 0.03 -2.04 0.13 0.00 0.00 0.00 0.00 23.12 21.23 1x1g s ALA 25 CO 0.21 -1.08 0.48 0.21 0.00 0.00 0.00 175.76 175.58 1x1g s LYS 26 N 1.39 2.94 0.69 0.00 2.20 -0.62 -1.16 119.74 125.18 1x1g s LYS 26 Ca -0.01 -1.69 -0.16 0.00 -0.36 0.00 0.00 55.97 53.76 1x1g s LYS 26 Cb -0.18 -4.26 0.01 0.00 -1.51 0.00 0.00 37.83 31.90 1x1g s LYS 26 CO 0.00 -1.30 1.18 -1.14 -0.36 0.00 0.00 175.35 173.74 1x1g s GLN 27 N 1.58 2.46 -0.00 4.03 -0.44 -1.23 -4.10 119.66 121.96 1x1g s GLN 27 Ca 0.03 1.68 -0.00 0.00 -2.50 0.00 0.00 55.36 54.57 1x1g s GLN 27 Cb -0.29 -1.88 0.00 0.00 -1.64 0.00 0.00 33.01 29.20 1x1g s GLN 27 CO 0.03 -1.57 0.01 0.41 0.50 0.00 0.00 175.29 174.67 1x1g n GLY 28 N 0.20 -2.99 0.96 2.59 0.00 -1.26 -4.85 105.19 99.84 1x1g n GLY 28 Ca 0.13 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1x1g n GLY 28 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1x1g n HIS 29 N 0.06 -1.58 0.01 1.61 -0.00 -1.26 -5.05 115.22 109.01 1x1g n HIS 29 Ca -0.01 0.13 0.00 0.00 -0.00 0.00 0.00 57.72 57.84 1x1g n HIS 29 Cb 0.02 0.57 0.00 0.00 -0.00 0.00 0.00 29.99 30.58 1x1g n HIS 29 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1x1g n LYS 30 N -2.18 0.00 -0.65 1.57 3.00 -1.26 -5.14 118.16 113.50 1x1g n LYS 30 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.00 1x1g n LYS 30 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 35.03 35.21 1x1g n LYS 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1x1g n ARG 31 N -2.53 -1.29 0.00 1.64 0.63 -1.26 -4.97 116.66 108.88 1x1g n ARG 31 Ca 0.00 -0.34 0.00 0.00 -0.92 0.00 0.00 57.85 56.59 1x1g n ARG 31 Cb 0.00 -1.99 0.00 0.00 0.45 0.00 0.00 32.46 30.92 1x1g n ARG 31 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1x1g n LYS 32 N -3.13 0.00 0.00 -0.14 4.81 -1.26 -4.87 118.16 113.57 1x1g n LYS 32 Ca 0.05 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 1x1g n LYS 32 Cb 0.56 -1.23 0.00 0.00 0.02 0.00 0.00 35.03 34.38 1x1g n LYS 32 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1x1g n ASN 33 N -1.98 0.00 -4.83 3.14 4.13 -1.26 -4.87 115.26 109.59 1x1g n ASN 33 Ca 0.00 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 55.94 1x1g n ASN 33 Cb 0.00 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.25 1x1g n ASN 33 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1x1g s TRP 34 N 0.00 3.27 -0.12 3.10 0.52 -1.26 -4.69 118.94 119.75 1x1g s TRP 34 Ca 0.00 1.44 0.02 0.00 0.02 0.00 0.00 56.10 57.58 1x1g s TRP 34 Cb 0.00 -2.87 0.01 0.00 -1.15 0.00 0.00 33.47 29.46 1x1g s TRP 34 CO 0.00 -0.85 -0.20 0.15 0.02 0.00 0.00 176.95 176.07 1x1g s LYS 35 N -4.48 2.73 0.25 4.98 -0.14 -1.26 -5.00 119.74 116.83 1x1g s LYS 35 Ca 0.59 -0.75 -0.30 0.00 -1.36 0.00 0.00 55.97 54.16 1x1g s LYS 35 Cb -0.13 -2.21 -0.09 0.00 -1.68 0.00 0.00 37.83 33.72 1x1g s LYS 35 CO 0.42 0.00 1.12 0.08 -0.76 0.00 0.00 175.35 176.21 1x1g s VAL 36 N 0.79 3.54 0.03 3.17 1.01 -1.26 -1.58 120.40 126.09 1x1g s VAL 36 Ca -0.09 1.47 -0.10 0.00 0.00 0.00 0.00 61.98 63.26 1x1g s VAL 36 Cb -0.16 -3.94 0.01 0.00 0.00 0.00 0.00 36.38 32.29 1x1g s VAL 36 CO 0.00 0.32 0.20 -0.13 0.00 0.00 0.00 175.10 175.49 1x1g s ARG 37 N -1.08 0.66 -0.66 2.72 0.52 0.49 -4.71 118.95 116.90 1x1g s ARG 37 Ca 0.47 -0.54 -0.26 0.00 -0.52 0.00 0.00 55.73 54.87 1x1g s ARG 37 Cb -0.32 0.28 0.04 0.00 0.52 0.00 0.00 34.95 35.46 1x1g s ARG 37 CO 0.40 -0.19 1.18 0.50 0.02 0.00 0.00 175.30 177.21 1x1g s ARG 38 N -2.23 3.29 -0.12 3.54 3.52 -0.39 0.81 118.95 127.37 1x1g s ARG 38 Ca -0.08 -0.17 -0.12 0.00 -0.13 0.00 0.00 55.73 55.24 1x1g s ARG 38 Cb -0.03 -4.12 -0.05 0.00 -1.56 0.00 0.00 34.95 29.20 1x1g s ARG 38 CO -0.02 -1.89 0.27 -0.06 -0.81 0.00 0.00 175.30 172.79 1x1g s PHE 39 N 5.09 3.55 -0.01 5.12 0.40 0.71 -0.08 117.98 132.76 1x1g s PHE 39 Ca 0.35 0.64 0.06 0.00 -0.60 0.00 0.00 56.93 57.39 1x1g s PHE 39 Cb -0.09 -2.23 -0.03 0.00 0.51 0.00 0.00 43.02 41.18 1x1g s PHE 39 CO 0.18 0.44 -0.19 0.54 0.70 0.00 0.00 175.22 176.89 1x1g s VAL 40 N -0.21 2.65 -0.20 -0.44 0.11 0.28 -1.93 120.40 120.67 1x1g s VAL 40 Ca 0.17 -0.99 -0.01 0.00 -2.93 0.00 0.00 61.98 58.22 1x1g s VAL 40 Cb -0.13 -2.03 0.01 0.00 -1.53 0.00 0.00 36.38 32.69 1x1g s VAL 40 CO 0.05 0.51 -0.12 -0.22 -3.33 0.00 0.00 175.10 171.99 1x1g s LEU 41 N -0.91 2.51 0.09 2.54 0.20 0.53 -2.24 118.68 121.40 1x1g s LEU 41 Ca 0.12 -0.52 0.08 0.00 0.69 0.00 0.00 54.13 54.50 1x1g s LEU 41 Cb -0.10 -1.61 -0.03 0.00 -0.43 0.00 0.00 46.19 44.02 1x1g s LEU 41 CO 0.01 -0.01 -0.21 -0.13 -0.29 0.00 0.00 176.35 175.73 1x1g s ARG 42 N 1.35 1.15 0.08 1.98 0.52 -0.65 0.39 118.95 123.77 1x1g s ARG 42 Ca 0.05 -1.12 0.07 0.00 -0.52 0.00 0.00 55.73 54.21 1x1g s ARG 42 Cb -0.14 -1.38 -0.03 0.00 0.52 0.00 0.00 34.95 33.92 1x1g s ARG 42 CO -0.08 0.33 -0.19 -1.59 0.02 0.00 0.00 175.30 173.79 1x1g s LYS 43 N -1.79 1.13 -0.52 3.54 -2.85 0.17 -1.96 119.74 117.46 1x1g s LYS 43 Ca 0.06 -1.03 -0.24 0.00 -1.00 0.00 0.00 55.97 53.76 1x1g s LYS 43 Cb -0.10 -1.30 0.03 0.00 -2.06 0.00 0.00 37.83 34.41 1x1g s LYS 43 CO 0.04 0.31 0.64 -3.47 0.10 0.00 0.00 175.35 172.97 1x1g n ASP 44 N 1.39 -6.34 -4.79 0.03 2.03 -1.26 0.12 116.55 107.74 1x1g n ASP 44 Ca -0.19 -0.06 -0.29 0.00 0.52 0.00 0.00 54.79 54.77 1x1g n ASP 44 Cb 0.54 -3.08 0.13 0.00 -0.72 0.00 0.00 41.12 37.99 1x1g n ASP 44 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1x1g s PRO 45 N -2.90 1.21 -0.80 -0.67 0.04 -1.26 -3.79 135.00 126.85 1x1g s PRO 45 Ca 0.26 0.32 -0.17 0.00 0.04 0.00 0.00 61.00 61.45 1x1g s PRO 45 Cb -0.04 -1.85 0.16 0.00 0.04 0.00 0.00 34.50 32.81 1x1g s PRO 45 CO 0.84 -2.15 0.87 0.00 0.04 0.00 0.00 177.00 176.59 1x1g s ALA 46 N -3.27 3.66 0.04 8.56 0.00 -1.26 -4.58 121.76 124.91 1x1g s ALA 46 Ca 0.64 -2.83 -0.00 0.00 0.00 0.00 0.00 51.96 49.76 1x1g s ALA 46 Cb -0.15 -3.70 -0.03 0.00 0.00 0.00 0.00 23.12 19.24 1x1g s ALA 46 CO 0.53 -2.53 -0.04 -0.06 0.00 0.00 0.00 175.76 173.67 1x1g s PHE 47 N 1.70 0.46 -0.16 0.00 0.08 -0.83 -3.60 117.98 115.64 1x1g s PHE 47 Ca 0.21 -0.82 -0.02 0.00 0.12 0.00 0.00 56.93 56.43 1x1g s PHE 47 Cb -0.12 -0.33 0.05 0.00 -0.57 0.00 0.00 43.02 42.05 1x1g s PHE 47 CO -0.05 -0.27 -0.00 -1.17 -0.10 0.00 0.00 175.22 173.63 1x1g s LEU 48 N -2.30 1.24 0.24 -0.37 2.96 -1.23 -1.64 118.68 117.58 1x1g s LEU 48 Ca -0.02 -0.63 0.10 0.00 -0.22 0.00 0.00 54.13 53.36 1x1g s LEU 48 Cb -0.00 -0.68 -0.05 0.00 0.50 0.00 0.00 46.19 45.96 1x1g s LEU 48 CO -0.06 -0.24 -0.11 -1.00 -1.32 0.00 0.00 176.35 173.62 1x1g s HIS 49 N 1.80 2.51 -0.03 5.38 3.76 -0.95 -3.00 115.29 124.75 1x1g s HIS 49 Ca 0.01 -0.27 -0.04 0.00 -0.15 0.00 0.00 55.06 54.60 1x1g s HIS 49 Cb -0.16 -1.14 0.01 0.00 1.11 0.00 0.00 32.58 32.40 1x1g s HIS 49 CO -0.07 0.62 0.10 1.52 -0.85 0.00 0.00 174.74 176.06 1x1g s TYR 50 N -2.18 -0.06 0.32 1.40 1.13 -1.26 0.99 117.35 117.69 1x1g s TYR 50 Ca 0.28 0.16 0.09 0.00 -1.41 0.00 0.00 57.07 56.20 1x1g s TYR 50 Cb -0.07 0.01 -0.05 0.00 -1.10 0.00 0.00 41.96 40.75 1x1g s TYR 50 CO 0.16 -0.11 -0.02 0.71 -2.51 0.00 0.00 175.55 173.78 1x1g s TYR 51 N -0.30 2.53 -0.16 -3.49 1.51 0.89 0.21 117.35 118.54 1x1g s TYR 51 Ca -0.04 -0.40 -0.19 0.00 -1.01 0.00 0.00 57.07 55.43 1x1g s TYR 51 Cb -0.03 -1.39 -0.04 0.00 -0.11 0.00 0.00 41.96 40.40 1x1g s TYR 51 CO 0.00 0.53 0.52 0.16 -1.11 0.00 0.00 175.55 175.65 1x1g s ASP 52 N -3.68 6.64 0.03 2.29 1.47 -1.26 -1.27 116.67 120.89 1x1g s ASP 52 Ca 0.34 0.77 -0.18 0.00 1.18 0.00 0.00 52.55 54.65 1x1g s ASP 52 Cb -0.01 -2.30 -0.21 0.00 -0.34 0.00 0.00 42.92 40.06 1x1g s ASP 52 CO 0.19 -0.11 1.16 1.55 0.68 0.00 0.00 175.17 178.64 1x1g h PRO 53 N 7.12 0.48 0.00 2.11 0.13 -1.95 -3.16 132.00 136.72 1x1g h PRO 53 Ca -0.37 -0.46 -0.01 0.00 -0.87 0.00 0.00 66.00 64.29 1x1g h PRO 53 Cb 1.17 0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1x1g h PRO 53 CO 0.75 1.10 -0.04 1.03 -0.23 0.00 0.00 178.00 180.61 1x1g h SER 54 N 0.03 0.00 -1.68 1.44 0.87 -1.93 -3.42 113.55 108.86 1x1g h SER 54 Ca -0.06 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 60.03 1x1g h SER 54 Cb 1.28 0.00 0.05 0.00 -0.44 0.00 0.00 62.40 63.30 1x1g h SER 54 CO 0.12 0.04 -0.02 -0.54 -0.53 0.00 0.00 176.83 175.90 1x1g s LYS 55 N -4.89 2.13 -0.29 2.24 -0.14 -1.19 -5.11 119.74 112.49 1x1g s LYS 55 Ca -0.05 -1.25 0.02 0.00 -1.36 0.00 0.00 55.97 53.33 1x1g s LYS 55 Cb 0.16 -2.50 0.16 0.00 -1.68 0.00 0.00 37.83 33.97 1x1g s LYS 55 CO 0.65 -1.02 0.40 -1.21 -0.76 0.00 0.00 175.35 173.41 1x1g s GLU 56 N -4.85 0.41 -0.17 1.68 2.02 -1.26 -4.84 118.70 111.70 1x1g s GLU 56 Ca 0.62 0.14 -0.27 0.00 0.02 0.00 0.00 54.97 55.48 1x1g s GLU 56 Cb -0.07 -0.33 0.07 0.00 0.10 0.00 0.00 34.13 33.91 1x1g s GLU 56 CO 0.40 -1.02 0.68 -2.00 0.02 0.00 0.00 175.26 173.35 1x1g s GLU 57 N 2.54 0.91 -0.94 1.61 2.12 -1.26 -5.04 118.70 118.64 1x1g s GLU 57 Ca 0.10 0.64 -0.06 0.00 0.36 0.00 0.00 54.97 56.00 1x1g s GLU 57 Cb -0.13 0.44 -0.05 0.00 0.26 0.00 0.00 34.13 34.65 1x1g s GLU 57 CO -0.30 -0.20 2.13 0.09 -0.54 0.00 0.00 175.26 176.45 1x1g n ASN 58 N 1.91 5.03 -3.64 -1.70 3.02 -1.26 -4.67 115.26 113.96 1x1g n ASN 58 Ca -0.16 -2.34 -0.08 0.00 -0.03 0.00 0.00 54.58 51.97 1x1g n ASN 58 Cb 0.56 -1.11 -0.07 0.00 -0.61 0.00 0.00 39.78 38.55 1x1g n ASN 58 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1x1g s ARG 59 N 3.39 0.41 0.72 3.52 3.00 -1.26 -5.17 118.95 123.57 1x1g s ARG 59 Ca 0.41 0.47 -0.11 0.00 -1.00 0.00 0.00 55.73 55.49 1x1g s ARG 59 Cb 0.10 0.20 0.03 0.00 0.00 0.00 0.00 34.95 35.28 1x1g s ARG 59 CO -0.03 -0.05 1.07 -1.25 0.00 0.00 0.00 175.30 175.03 1x1g s PRO 60 N 0.12 2.69 0.11 5.12 0.04 -1.26 -4.74 135.00 137.08 1x1g s PRO 60 Ca 0.04 0.87 0.27 0.00 0.04 0.00 0.00 61.00 62.21 1x1g s PRO 60 Cb -0.05 -1.97 1.01 0.00 0.04 0.00 0.00 34.50 33.53 1x1g s PRO 60 CO -0.08 -1.25 1.83 0.28 0.04 0.00 0.00 177.00 177.82 1x1g n VAL 61 N -3.22 0.35 0.00 -0.36 0.31 0.13 -4.94 118.33 110.61 1x1g n VAL 61 Ca 0.07 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1x1g n VAL 61 Cb 0.54 -0.59 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 1x1g n VAL 61 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x1g n GLY 62 N 1.27 -0.94 0.00 2.92 0.00 -1.20 -5.05 105.19 102.20 1x1g n GLY 62 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1x1g n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1g n GLY 63 N 0.00 3.86 3.58 -0.02 0.00 -1.26 -4.17 105.19 107.17 1x1g n GLY 63 Ca 0.00 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 1x1g n GLY 63 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x1g s PHE 64 N 0.00 2.53 0.62 1.61 -0.71 -1.16 -4.99 117.98 115.88 1x1g s PHE 64 Ca 0.00 -0.28 -0.14 0.00 -1.04 0.00 0.00 56.93 55.47 1x1g s PHE 64 Cb 0.00 -1.14 -0.03 0.00 -1.21 0.00 0.00 43.02 40.65 1x1g s PHE 64 CO 0.00 0.65 1.05 -1.54 -1.34 0.00 0.00 175.22 174.04 1x1g s SER 65 N -3.62 5.76 -0.07 1.98 1.04 -1.26 -3.57 113.70 113.96 1x1g s SER 65 Ca 0.31 1.70 -0.01 0.00 0.48 0.00 0.00 55.95 58.43 1x1g s SER 65 Cb -0.05 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 1x1g s SER 65 CO 0.18 -1.18 -0.07 0.18 0.98 0.00 0.00 173.24 173.33 1x1g n LEU 66 N -2.41 2.40 -4.42 2.42 4.77 -1.24 -4.85 117.00 113.68 1x1g n LEU 66 Ca 0.08 -0.01 -0.49 0.00 -0.03 0.00 0.00 56.01 55.57 1x1g n LEU 66 Cb 0.53 -0.24 -0.10 0.00 -2.33 0.00 0.00 43.42 41.28 1x1g n LEU 66 CO 0.51 0.51 1.94 -1.14 -1.33 0.00 0.00 177.39 177.87 1x1g n ARG 67 N -2.86 0.43 -1.03 3.23 3.00 -1.25 0.15 116.66 118.33 1x1g n ARG 67 Ca -0.13 0.08 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 1x1g n ARG 67 Cb 0.63 -2.01 0.00 0.00 0.00 0.00 0.00 32.46 31.08 1x1g n ARG 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1x1g n GLY 68 N 6.75 1.16 3.40 5.14 0.00 -1.26 -4.90 105.19 115.47 1x1g n GLY 68 Ca 0.52 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 1x1g n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x1g n SER 69 N 0.97 3.05 -3.83 1.61 7.64 0.40 -2.45 113.62 121.01 1x1g n SER 69 Ca 0.00 -2.93 -0.10 0.00 1.01 0.00 0.00 58.87 56.85 1x1g n SER 69 Cb 0.25 0.19 -0.08 0.00 -1.01 0.00 0.00 64.21 63.57 1x1g n SER 69 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1x1g s LEU 70 N 0.00 1.31 0.02 -3.43 2.96 0.51 -4.80 118.68 115.25 1x1g s LEU 70 Ca 0.10 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 1x1g s LEU 70 Cb -0.01 1.06 -0.01 0.00 0.50 0.00 0.00 46.19 47.72 1x1g s LEU 70 CO 0.07 -0.64 -0.04 0.54 -1.32 0.00 0.00 176.35 174.96 1x1g s VAL 71 N -3.11 0.27 0.14 1.68 0.11 -1.26 0.16 120.40 118.39 1x1g s VAL 71 Ca -0.01 -0.57 -0.10 0.00 -2.93 0.00 0.00 61.98 58.37 1x1g s VAL 71 Cb 0.01 -0.31 -0.00 0.00 -1.53 0.00 0.00 36.38 34.55 1x1g s VAL 71 CO -0.07 -0.20 0.28 -0.44 -3.33 0.00 0.00 175.10 171.34 1x1g s SER 72 N -0.82 0.02 0.33 3.54 0.01 0.24 -4.93 113.70 112.08 1x1g s SER 72 Ca -0.06 -0.75 0.03 0.00 1.31 0.00 0.00 55.95 56.48 1x1g s SER 72 Cb -0.06 0.42 -0.02 0.00 0.21 0.00 0.00 66.02 66.57 1x1g s SER 72 CO -0.00 -0.86 0.49 0.00 0.41 0.00 0.00 173.24 173.28 1x1g s ALA 73 N -3.92 3.90 -0.15 1.44 0.00 -1.26 0.84 121.76 122.61 1x1g s ALA 73 Ca 0.13 -1.16 -0.06 0.00 0.00 0.00 0.00 51.96 50.86 1x1g s ALA 73 Cb 0.03 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 1x1g s ALA 73 CO -0.04 0.00 0.05 -0.51 0.00 0.00 0.00 175.76 175.27 1x1g s LEU 74 N -4.21 3.82 1.06 0.00 1.43 -1.10 -4.75 118.68 114.92 1x1g s LEU 74 Ca 0.40 0.14 -0.18 0.00 -1.03 0.00 0.00 54.13 53.47 1x1g s LEU 74 Cb -0.09 -1.94 0.05 0.00 0.03 0.00 0.00 46.19 44.24 1x1g s LEU 74 CO 0.33 0.26 -0.04 -0.62 0.23 0.00 0.00 176.35 176.50 1x1g n GLU 75 N 2.98 -1.04 -4.08 1.70 1.02 -1.26 -4.64 120.64 115.33 1x1g n GLU 75 Ca -0.18 -0.28 -0.29 0.00 -0.02 0.00 0.00 57.16 56.39 1x1g n GLU 75 Cb 0.53 -1.66 -0.07 0.00 -0.02 0.00 0.00 31.44 30.23 1x1g n GLU 75 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1x1g s ASP 76 N -1.79 5.41 -0.17 1.62 1.11 -1.26 -4.85 116.67 116.75 1x1g s ASP 76 Ca 0.54 -0.08 -0.05 0.00 0.18 0.00 0.00 52.55 53.14 1x1g s ASP 76 Cb -0.13 -1.41 0.02 0.00 1.07 0.00 0.00 42.92 42.47 1x1g s ASP 76 CO 0.67 0.15 0.11 -3.20 1.18 0.00 0.00 175.17 174.08 1x1g n ASN 77 N 0.29 -3.00 0.00 0.27 5.15 -1.26 -5.04 115.26 111.67 1x1g n ASN 77 Ca -0.09 0.99 0.00 0.00 -0.60 0.00 0.00 54.58 54.88 1x1g n ASN 77 Cb 0.52 -4.07 0.00 0.00 -0.53 0.00 0.00 39.78 35.70 1x1g n ASN 77 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x1g n GLY 78 N 0.93 2.74 3.27 8.20 0.00 -1.26 -5.11 105.19 113.96 1x1g n GLY 78 Ca -0.18 -1.89 -0.29 0.00 0.00 0.00 0.00 46.02 43.65 1x1g n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x1g s VAL 79 N -1.87 1.86 1.07 1.61 0.11 -1.26 -4.63 120.40 117.28 1x1g s VAL 79 Ca 0.00 -1.02 -0.17 0.00 -2.93 0.00 0.00 61.98 57.86 1x1g s VAL 79 Cb 0.00 -1.54 0.23 0.00 -1.53 0.00 0.00 36.38 33.54 1x1g s VAL 79 CO 0.00 0.51 1.21 -2.16 -3.33 0.00 0.00 175.10 171.33 1x1g s PRO 80 N -0.59 -0.17 -0.51 1.54 0.04 -1.26 -4.81 135.00 129.24 1x1g s PRO 80 Ca 0.09 -0.20 -0.40 0.00 0.04 0.00 0.00 61.00 60.53 1x1g s PRO 80 Cb -0.09 -1.73 -0.18 0.00 0.04 0.00 0.00 34.50 32.54 1x1g s PRO 80 CO -0.01 -2.99 2.05 2.41 0.04 0.00 0.00 177.00 178.50 1x1g n THR 81 N -4.22 0.00 0.00 1.26 -1.04 -1.26 -3.86 114.28 105.16 1x1g n THR 81 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 1x1g n THR 81 Cb 0.59 -0.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.64 1x1g n THR 81 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1x1g n GLY 82 N 6.91 0.22 2.97 3.41 0.00 -1.26 -4.83 105.19 112.61 1x1g n GLY 82 Ca 0.52 0.59 -0.10 0.00 0.00 0.00 0.00 46.02 47.04 1x1g n GLY 82 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1x1g n VAL 83 N 0.00 -2.21 -1.45 1.61 0.31 -1.25 -4.58 118.33 110.76 1x1g n VAL 83 Ca 0.00 0.34 -0.56 0.00 -0.01 0.00 0.00 64.34 64.11 1x1g n VAL 83 Cb 0.00 -2.77 -0.07 0.00 -0.91 0.00 0.00 33.84 30.10 1x1g n VAL 83 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1x1g n LYS 84 N 0.82 0.00 0.00 5.55 4.76 -1.26 -4.28 118.16 123.75 1x1g n LYS 84 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 1x1g n LYS 84 Cb 0.49 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 1x1g n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x1g n GLY 85 N 1.58 1.05 2.65 0.72 0.00 -1.26 -4.82 105.19 105.11 1x1g n GLY 85 Ca 0.19 -1.56 -0.04 0.00 0.00 0.00 0.00 46.02 44.61 1x1g n GLY 85 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x1g n ASN 86 N 0.28 -1.07 -4.80 1.61 0.23 -1.26 -4.93 115.26 105.31 1x1g n ASN 86 Ca 0.00 -1.52 -0.30 0.00 -0.53 0.00 0.00 54.58 52.23 1x1g n ASN 86 Cb 0.00 0.55 0.08 0.00 -2.08 0.00 0.00 39.78 38.33 1x1g n ASN 86 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1x1g s VAL 87 N 0.08 3.37 -0.04 3.53 -7.23 -1.26 -4.92 120.40 113.92 1x1g s VAL 87 Ca 0.25 0.44 0.02 0.00 -1.81 0.00 0.00 61.98 60.88 1x1g s VAL 87 Cb 0.20 -3.17 0.05 0.00 0.56 0.00 0.00 36.38 34.02 1x1g s VAL 87 CO -0.06 -0.58 0.53 0.00 -0.31 0.00 0.00 175.10 174.68 1x1g n GLN 88 N -3.36 0.18 -3.53 4.82 10.64 -1.26 -4.72 117.38 120.15 1x1g n GLN 88 Ca 0.07 -0.24 -0.40 0.00 -1.83 0.00 0.00 57.00 54.60 1x1g n GLN 88 Cb 0.55 0.25 -0.05 0.00 -0.86 0.00 0.00 30.24 30.14 1x1g n GLN 88 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 1x1g s GLY 89 N -0.23 2.98 -0.97 2.61 0.00 -1.26 -4.79 107.32 105.66 1x1g s GLY 89 Ca 0.01 -3.69 -0.15 0.00 0.00 0.00 0.00 44.72 40.90 1x1g s GLY 89 CO -0.02 1.23 0.62 1.16 0.00 0.00 0.00 173.10 176.09 1x1g n ASN 90 N 2.82 -4.39 -4.76 1.64 0.23 -1.26 -4.55 115.26 105.00 1x1g n ASN 90 Ca 0.19 -1.10 -0.21 0.00 -0.53 0.00 0.00 54.58 52.92 1x1g n ASN 90 Cb 0.39 -1.55 0.09 0.00 -2.08 0.00 0.00 39.78 36.63 1x1g n ASN 90 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1x1g n LEU 91 N -3.62 0.00 -3.55 -4.53 4.77 -1.26 -3.82 117.00 104.99 1x1g n LEU 91 Ca -0.23 -2.32 -0.07 0.00 -0.03 0.00 0.00 56.01 53.36 1x1g n LEU 91 Cb 0.63 -0.54 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1x1g n LEU 91 CO 0.67 -0.85 0.83 0.72 -1.33 0.00 0.00 177.39 177.43 1x1g s PHE 92 N -2.86 -0.26 0.33 -1.77 -0.12 -0.88 -2.69 117.98 109.73 1x1g s PHE 92 Ca 0.64 0.20 0.08 0.00 -0.05 0.00 0.00 56.93 57.80 1x1g s PHE 92 Cb -0.04 0.52 -0.06 0.00 -0.63 0.00 0.00 43.02 42.80 1x1g s PHE 92 CO 0.41 -0.38 -0.08 -1.59 -0.05 0.00 0.00 175.22 173.54 1x1g s LYS 93 N -2.61 1.73 -0.26 1.99 0.00 0.25 -0.54 119.74 120.30 1x1g s LYS 93 Ca 0.06 -1.90 -0.00 0.00 0.00 0.00 0.00 55.97 54.13 1x1g s LYS 93 Cb -0.01 -1.50 0.08 0.00 0.00 0.00 0.00 37.83 36.39 1x1g s LYS 93 CO -0.06 0.09 0.03 0.08 0.00 0.00 0.00 175.35 175.49 1x1g s VAL 94 N -2.76 1.12 -0.56 1.79 1.01 0.11 -0.59 120.40 120.52 1x1g s VAL 94 Ca 0.32 -1.24 -0.21 0.00 0.00 0.00 0.00 61.98 60.84 1x1g s VAL 94 Cb 0.03 -1.65 0.06 0.00 0.00 0.00 0.00 36.38 34.82 1x1g s VAL 94 CO 0.15 -0.39 0.80 -0.63 0.00 0.00 0.00 175.10 175.04 1x1g s ILE 95 N 1.54 4.60 0.49 2.22 1.01 0.42 -0.53 121.20 130.95 1x1g s ILE 95 Ca 0.03 -0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.36 1x1g s ILE 95 Cb -0.18 -4.47 0.11 0.00 0.01 0.00 0.00 42.46 37.94 1x1g s ILE 95 CO -0.14 -1.05 0.63 0.35 0.00 0.00 0.00 174.94 174.72 1x1g n THR 96 N 5.87 0.00 0.47 2.92 -2.24 -1.26 0.19 114.28 120.23 1x1g n THR 96 Ca -0.03 -0.44 0.06 0.00 -2.27 0.00 0.00 64.05 61.36 1x1g n THR 96 Cb 0.46 -1.68 0.27 0.00 -2.10 0.00 0.00 70.33 67.28 1x1g n THR 96 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1x1g n LYS 97 N -2.46 0.05 -0.19 -0.78 2.85 -1.02 -0.56 118.16 116.05 1x1g n LYS 97 Ca 0.08 0.26 0.12 0.00 -1.05 0.00 0.00 58.31 57.71 1x1g n LYS 97 Cb 0.28 -1.50 0.22 0.00 -0.65 0.00 0.00 35.03 33.37 1x1g n LYS 97 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1x1g n ASP 98 N -1.44 3.49 -4.20 -5.58 9.92 -1.26 -4.94 116.55 112.54 1x1g n ASP 98 Ca 0.04 -1.99 -0.35 0.00 -0.53 0.00 0.00 54.79 51.95 1x1g n ASP 98 Cb 0.13 -0.25 -0.02 0.00 -0.64 0.00 0.00 41.12 40.33 1x1g n ASP 98 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1x1g n ASP 99 N 1.50 -3.22 -0.03 -2.24 2.03 0.28 -4.84 116.55 110.03 1x1g n ASP 99 Ca 0.19 -1.00 -0.15 0.00 0.52 0.00 0.00 54.79 54.36 1x1g n ASP 99 Cb 0.61 -2.83 -0.11 0.00 -0.72 0.00 0.00 41.12 38.07 1x1g n ASP 99 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1x1g h THR 100 N -1.55 1.54 -3.19 5.18 2.02 -1.86 -3.47 112.91 111.57 1x1g h THR 100 Ca -0.59 -1.88 0.00 0.00 0.77 0.00 0.00 66.41 64.70 1x1g h THR 100 Cb 1.38 2.71 -0.00 0.00 -1.74 0.00 0.00 68.15 70.50 1x1g h THR 100 CO 0.77 0.51 -0.11 1.41 0.37 0.00 0.00 175.52 178.47 1x1g n HIS 101 N -4.53 -0.39 -3.55 3.16 -0.00 -1.20 -4.99 115.22 103.72 1x1g n HIS 101 Ca -0.09 0.19 -0.39 0.00 -0.00 0.00 0.00 57.72 57.42 1x1g n HIS 101 Cb 0.48 -1.73 -0.11 0.00 -0.00 0.00 0.00 29.99 28.63 1x1g n HIS 101 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1x1g s TYR 102 N -0.13 3.22 0.02 4.41 2.02 0.31 -4.79 117.35 122.42 1x1g s TYR 102 Ca -0.01 -0.04 -0.29 0.00 -0.37 0.00 0.00 57.07 56.36 1x1g s TYR 102 Cb 0.00 -2.44 -0.04 0.00 -0.40 0.00 0.00 41.96 39.08 1x1g s TYR 102 CO 0.07 -0.27 0.94 0.71 -1.57 0.00 0.00 175.55 175.43 1x1g s TYR 103 N 1.76 3.69 0.08 2.71 1.51 -1.26 0.04 117.35 125.87 1x1g s TYR 103 Ca 0.07 1.68 -0.02 0.00 -1.01 0.00 0.00 57.07 57.78 1x1g s TYR 103 Cb -0.17 -3.06 -0.03 0.00 -0.11 0.00 0.00 41.96 38.58 1x1g s TYR 103 CO 0.11 0.06 0.03 0.42 -1.11 0.00 0.00 175.55 175.06 1x1g s ILE 104 N 0.71 0.18 0.12 2.71 1.01 0.30 -3.50 121.20 122.73 1x1g s ILE 104 Ca 0.49 -1.74 0.08 0.00 0.00 0.00 0.00 60.65 59.48 1x1g s ILE 104 Cb -0.21 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 1x1g s ILE 104 CO 0.27 -0.80 -0.20 -1.58 0.00 0.00 0.00 174.94 172.64 1x1g s GLN 105 N -3.95 1.17 0.10 2.79 0.74 -0.31 -2.07 119.66 118.14 1x1g s GLN 105 Ca 0.11 -1.25 0.04 0.00 0.05 0.00 0.00 55.36 54.31 1x1g s GLN 105 Cb 0.07 -1.36 -0.04 0.00 1.10 0.00 0.00 33.01 32.79 1x1g s GLN 105 CO -0.07 0.30 0.08 0.00 -0.55 0.00 0.00 175.29 175.05 1x1g s ALA 106 N -1.49 3.53 0.04 1.58 0.00 -1.25 -2.60 121.76 121.57 1x1g s ALA 106 Ca 0.10 -1.06 -0.25 0.00 0.00 0.00 0.00 51.96 50.74 1x1g s ALA 106 Cb -0.08 -1.39 -0.17 0.00 0.00 0.00 0.00 23.12 21.48 1x1g s ALA 106 CO 0.05 0.70 1.48 0.77 0.00 0.00 0.00 175.76 178.76 1x1g h SER 107 N 3.15 -0.11 -3.14 0.00 0.02 -1.91 -3.45 113.55 108.11 1x1g h SER 107 Ca -0.47 -0.19 -0.48 0.00 -0.84 0.00 0.00 61.79 59.81 1x1g h SER 107 Cb 1.17 0.03 -0.15 0.00 0.14 0.00 0.00 62.40 63.59 1x1g h SER 107 CO 0.65 0.13 -0.74 -0.44 -1.14 0.00 0.00 176.83 175.28 1x1g s SER 108 N -5.29 2.71 0.17 3.07 0.01 -1.26 -5.01 113.70 108.10 1x1g s SER 108 Ca -0.14 -1.00 -0.25 0.00 1.31 0.00 0.00 55.95 55.87 1x1g s SER 108 Cb 0.04 -0.16 0.05 0.00 0.21 0.00 0.00 66.02 66.16 1x1g s SER 108 CO 0.64 -0.13 1.57 0.50 0.41 0.00 0.00 173.24 176.24 1x1g h LYS 109 N 2.63 -0.21 0.06 12.44 3.64 -1.92 0.59 116.57 133.80 1x1g h LYS 109 Ca -0.39 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.02 1x1g h LYS 109 Cb 1.22 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.06 1x1g h LYS 109 CO 0.60 -0.14 -0.17 0.00 -2.27 0.00 0.00 179.45 177.47 1x1g h ALA 110 N 0.67 -0.25 -0.91 5.00 0.00 -1.98 -1.60 119.26 120.18 1x1g h ALA 110 Ca 0.19 -0.01 0.34 0.00 0.00 0.00 0.00 54.91 55.42 1x1g h ALA 110 Cb 0.56 0.29 -0.17 0.00 0.00 0.00 0.00 17.79 18.47 1x1g h ALA 110 CO -0.69 -0.68 0.33 -1.91 0.00 0.00 0.00 179.25 176.30 1x1g n GLU 111 N -5.30 -0.06 0.00 0.00 4.07 0.09 -0.55 120.64 118.89 1x1g n GLU 111 Ca -0.06 1.29 0.00 0.00 -0.06 0.00 0.00 57.16 58.33 1x1g n GLU 111 Cb 0.22 -2.22 0.00 0.00 -0.06 0.00 0.00 31.44 29.37 1x1g n GLU 111 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 1x1g n ARG 112 N -5.15 0.00 -0.31 5.31 0.63 -0.53 0.48 116.66 117.10 1x1g n ARG 112 Ca 0.30 0.61 0.15 0.00 -0.92 0.00 0.00 57.85 57.99 1x1g n ARG 112 Cb 1.01 -1.46 0.33 0.00 0.45 0.00 0.00 32.46 32.79 1x1g n ARG 112 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1x1g h ALA 113 N -1.72 1.47 0.08 5.13 0.00 -0.96 1.07 119.26 124.32 1x1g h ALA 113 Ca 0.00 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1x1g h ALA 113 Cb 0.00 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1x1g h ALA 113 CO 0.00 -0.41 -0.22 0.93 0.00 0.00 0.00 179.25 179.55 1x1g h GLU 114 N 0.34 -0.38 -0.54 0.00 5.08 -0.33 1.51 114.58 120.25 1x1g h GLU 114 Ca 0.58 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.93 1x1g h GLU 114 Cb 1.17 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1x1g h GLU 114 CO -0.58 -0.25 0.18 -1.49 -1.00 0.00 0.00 179.01 175.87 1x1g h TRP 115 N -0.40 0.85 0.00 4.33 4.06 0.31 -0.21 115.95 124.89 1x1g h TRP 115 Ca 0.04 -0.08 0.00 0.00 2.06 0.00 0.00 58.89 60.91 1x1g h TRP 115 Cb 0.44 -0.25 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 1x1g h TRP 115 CO -0.23 0.72 0.00 -0.89 -3.56 0.00 0.00 178.44 174.48 1x1g n ILE 116 N -4.48 0.00 -0.35 1.49 5.41 0.34 -1.04 119.36 120.73 1x1g n ILE 116 Ca 0.02 1.13 0.33 0.00 1.00 0.00 0.00 62.75 65.23 1x1g n ILE 116 Cb 0.19 -2.12 0.58 0.00 -0.71 0.00 0.00 39.64 37.57 1x1g n ILE 116 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1x1g n GLU 117 N -0.93 -0.05 0.09 0.38 2.13 0.51 -0.13 120.64 122.64 1x1g n GLU 117 Ca 0.00 1.23 -0.04 0.00 0.66 0.00 0.00 57.16 59.00 1x1g n GLU 117 Cb 0.00 -2.28 -0.02 0.00 0.27 0.00 0.00 31.44 29.41 1x1g n GLU 117 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1x1g h ALA 118 N 1.69 -0.98 -0.93 4.31 0.00 -0.84 -2.22 119.26 120.30 1x1g h ALA 118 Ca 0.79 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.74 1x1g h ALA 118 Cb 2.29 0.21 -0.11 0.00 0.00 0.00 0.00 17.79 20.18 1x1g h ALA 118 CO -0.60 -0.97 -0.57 0.82 0.00 0.00 0.00 179.25 177.94 1x1g h ILE 119 N -0.26 0.00 -0.93 0.00 2.04 0.12 1.48 117.51 119.96 1x1g h ILE 119 Ca -0.02 0.00 0.37 0.00 1.00 0.00 0.00 64.86 66.20 1x1g h ILE 119 Cb 0.21 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.12 1x1g h ILE 119 CO 0.02 0.00 0.41 0.29 0.00 0.00 0.00 178.15 178.87 1x1g n LYS 120 N -5.19 -0.06 0.47 2.37 4.01 -0.70 0.11 118.16 119.18 1x1g n LYS 120 Ca 0.02 1.31 -0.20 0.00 -0.51 0.00 0.00 58.31 58.93 1x1g n LYS 120 Cb 0.26 -2.30 -0.10 0.00 -0.51 0.00 0.00 35.03 32.38 1x1g n LYS 120 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 1x1g h LYS 121 N 0.00 -1.17 -0.33 1.97 1.57 0.27 0.72 116.57 119.59 1x1g h LYS 121 Ca 0.75 0.08 0.05 0.00 -1.87 0.00 0.00 60.65 59.66 1x1g h LYS 121 Cb 1.92 0.27 -0.08 0.00 0.08 0.00 0.00 32.23 34.42 1x1g h LYS 121 CO -0.75 -0.78 -0.52 -0.07 -0.57 0.00 0.00 179.45 176.76 1x1g h LEU 122 N -1.22 -1.71 -0.20 2.94 -0.00 0.13 -1.14 115.31 114.11 1x1g h LEU 122 Ca -0.12 0.23 0.06 0.00 -0.00 0.00 0.00 57.88 58.04 1x1g h LEU 122 Cb 0.95 0.70 -0.06 0.00 -0.00 0.00 0.00 40.66 42.25 1x1g h LEU 122 CO 0.17 -0.42 -0.21 0.71 -0.00 0.00 0.00 178.44 178.70 1x1g h THR 123 N -0.43 0.46 0.00 0.22 1.35 -0.95 -3.44 112.91 110.12 1x1g h THR 123 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 1x1g h THR 123 Cb 0.62 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 1x1g h THR 123 CO -0.55 0.00 0.00 -0.24 -0.25 0.00 0.00 175.52 174.48 1x1g n SER 124 N -5.35 0.00 -1.67 5.36 2.88 0.21 -4.43 113.62 110.62 1x1g n SER 124 Ca -0.01 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1x1g n SER 124 Cb 0.27 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.73 1x1g n SER 124 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1g n GLY 125 N 0.00 -4.29 2.64 0.46 0.00 0.11 -4.49 105.19 99.61 1x1g n GLY 125 Ca 0.00 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1x1g n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x1g n PRO 126 N 0.89 2.56 0.00 1.61 -0.04 -1.26 -4.69 135.00 134.07 1x1g n PRO 126 Ca -0.01 -1.93 0.00 0.00 -0.04 0.00 0.00 63.50 61.53 1x1g n PRO 126 Cb 0.01 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 30.70 1x1g n PRO 126 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x1g n SER 127 N 4.95 0.00 -2.92 3.54 2.88 -1.26 -5.09 113.62 115.72 1x1g n SER 127 Ca 0.56 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 58.10 1x1g n SER 127 Cb 0.25 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1x1g n SER 127 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x1g n SER 128 N 0.00 -6.88 0.00 -3.46 2.88 -1.26 -5.05 113.62 99.84 1x1g n SER 128 Ca 0.00 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 1x1g n SER 128 Cb 0.00 -3.64 0.00 0.00 -0.75 0.00 0.00 64.21 59.82 1x1g n SER 128 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42