#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 5.42 0.29 1.61 0.15 -1.26 -4.75 113.70 115.16 1x1g s SER 2 Ca 0.00 -2.76 0.00 0.00 0.70 0.00 0.00 55.95 53.89 1x1g s SER 2 Cb 0.00 -1.90 0.00 0.00 -1.71 0.00 0.00 66.02 62.41 1x1g s SER 2 CO 0.00 -0.41 0.00 -1.20 1.20 0.00 0.00 173.24 172.83 1x1g n SER 3 N 3.65 -0.18 0.00 5.45 7.64 -1.26 -5.13 113.62 123.79 1x1g n SER 3 Ca 0.07 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.44 1x1g n SER 3 Cb 0.39 0.41 0.00 0.00 -1.01 0.00 0.00 64.21 64.00 1x1g n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x1g n GLY 4 N 1.50 1.52 1.47 0.23 0.00 -1.26 -5.07 105.19 103.59 1x1g n GLY 4 Ca 0.00 -1.27 0.19 0.00 0.00 0.00 0.00 46.02 44.94 1x1g n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x1g n SER 5 N 0.00 -8.67 -2.82 1.61 7.64 -1.26 -4.97 113.62 105.15 1x1g n SER 5 Ca 0.00 1.14 -0.03 0.00 1.01 0.00 0.00 58.87 60.99 1x1g n SER 5 Cb 0.00 -4.83 -0.02 0.00 -1.01 0.00 0.00 64.21 58.34 1x1g n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x1g n SER 6 N -4.37 -4.01 0.00 6.43 3.41 -1.26 -4.90 113.62 108.93 1x1g n SER 6 Ca -0.05 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.72 1x1g n SER 6 Cb 0.69 -3.74 0.00 0.00 -0.26 0.00 0.00 64.21 60.90 1x1g n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x1g n GLY 7 N 1.88 0.76 1.47 5.00 0.00 -1.26 -5.08 105.19 107.96 1x1g n GLY 7 Ca -0.21 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1x1g n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x1g n SER 8 N 0.00 0.00 -2.33 1.61 3.41 -1.26 -5.14 113.62 109.91 1x1g n SER 8 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 1x1g n SER 8 Cb 0.00 0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 1x1g n SER 8 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1x1g n LEU 9 N -2.24 -6.12 -3.79 1.04 4.32 -1.26 -5.09 117.00 103.87 1x1g n LEU 9 Ca 0.00 2.46 -0.03 0.00 -0.02 0.00 0.00 56.01 58.42 1x1g n LEU 9 Cb 0.00 -3.09 -0.00 0.00 -1.62 0.00 0.00 43.42 38.71 1x1g n LEU 9 CO 0.00 -3.07 0.75 -0.44 -1.22 0.00 0.00 177.39 173.41 1x1g s SER 10 N -0.57 -0.11 0.57 -1.43 0.01 -1.26 -5.16 113.70 105.75 1x1g s SER 10 Ca -0.10 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1x1g s SER 10 Cb 0.01 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.74 1x1g s SER 10 CO 0.26 -0.95 0.00 0.41 0.41 0.00 0.00 173.24 173.36 1x1g n THR 11 N -0.54 -0.55 0.03 1.44 -1.04 -1.26 -4.75 114.28 107.60 1x1g n THR 11 Ca -0.05 0.76 0.00 0.00 -2.04 0.00 0.00 64.05 62.72 1x1g n THR 11 Cb 0.60 -1.24 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 1x1g n THR 11 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1x1g n VAL 12 N -4.32 0.05 0.01 12.58 3.14 -1.26 -4.59 118.33 123.95 1x1g n VAL 12 Ca -0.07 0.02 -0.11 0.00 -2.96 0.00 0.00 64.34 61.22 1x1g n VAL 12 Cb 0.68 -0.70 -0.06 0.00 -1.06 0.00 0.00 33.84 32.70 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 0.06 -0.02 1.45 3.07 -1.96 -0.46 114.58 116.72 1x1g h GLU 13 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1x1g h GLU 13 Cb 0.15 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1x1g h GLU 13 CO 0.00 0.04 0.00 1.28 -1.40 0.00 0.00 179.01 178.93 1x1g n LEU 14 N -5.07 0.42 -1.62 1.33 4.77 -1.26 -3.36 117.00 112.20 1x1g n LEU 14 Ca -0.05 -0.16 -0.06 0.00 -0.03 0.00 0.00 56.01 55.71 1x1g n LEU 14 Cb 0.04 -0.01 0.19 0.00 -2.33 0.00 0.00 43.42 41.31 1x1g n LEU 14 CO 0.32 0.08 0.85 -0.24 -1.33 0.00 0.00 177.39 177.07 1x1g n SER 15 N -0.59 3.82 -4.96 -1.43 2.88 -0.18 -4.91 113.62 108.24 1x1g n SER 15 Ca 0.19 -2.84 -0.22 0.00 -1.33 0.00 0.00 58.87 54.66 1x1g n SER 15 Cb 0.16 -0.68 -0.02 0.00 -0.75 0.00 0.00 64.21 62.92 1x1g n SER 15 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x1g s GLY 16 N -0.51 1.29 -0.02 0.46 0.00 -1.21 -4.41 107.32 102.91 1x1g s GLY 16 Ca 0.37 -1.15 -0.30 0.00 0.00 0.00 0.00 44.72 43.64 1x1g s GLY 16 CO 0.09 -1.15 1.16 -1.59 0.00 0.00 0.00 173.10 171.61 1x1g s THR 17 N -2.01 4.31 0.05 0.90 2.01 0.34 -4.44 115.64 116.79 1x1g s THR 17 Ca 0.35 1.64 -0.30 0.00 0.31 0.00 0.00 61.69 63.69 1x1g s THR 17 Cb -0.09 -4.05 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 1x1g s THR 17 CO 0.30 0.04 1.80 -0.69 -0.69 0.00 0.00 174.62 175.38 1x1g s VAL 18 N 1.79 2.98 -0.09 3.82 1.01 -1.26 0.96 120.40 129.62 1x1g s VAL 18 Ca 0.56 0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.86 1x1g s VAL 18 Cb -0.25 -3.17 -0.10 0.00 0.00 0.00 0.00 36.38 32.86 1x1g s VAL 18 CO 0.24 -0.01 0.01 1.33 0.00 0.00 0.00 175.10 176.67 1x1g n VAL 19 N 5.10 0.57 -3.71 2.92 0.24 0.80 -4.91 118.33 119.35 1x1g n VAL 19 Ca 0.18 -0.33 -0.14 0.00 -2.04 0.00 0.00 64.34 62.01 1x1g n VAL 19 Cb 0.40 -0.79 -0.09 0.00 -1.47 0.00 0.00 33.84 31.89 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 -2.20 0.62 0.23 7.34 2.47 -1.13 -5.01 119.74 122.06 1x1g s LYS 20 Ca -0.06 0.38 -0.18 0.00 -1.56 0.00 0.00 55.97 54.55 1x1g s LYS 20 Cb 0.03 0.29 0.02 0.00 -1.46 0.00 0.00 37.83 36.71 1x1g s LYS 20 CO 0.33 -0.12 0.58 1.14 0.16 0.00 0.00 175.35 177.43 1x1g s GLN 21 N -0.31 1.54 0.00 4.03 1.03 -1.26 0.27 119.66 124.96 1x1g s GLN 21 Ca -0.05 -0.97 0.00 0.00 0.04 0.00 0.00 55.36 54.39 1x1g s GLN 21 Cb -0.03 0.54 0.00 0.00 0.03 0.00 0.00 33.01 33.55 1x1g s GLN 21 CO 0.03 -0.67 0.00 0.41 -2.54 0.00 0.00 175.29 172.52 1x1g n GLY 22 N -0.39 0.12 2.99 2.60 0.00 -0.95 -5.00 105.19 104.57 1x1g n GLY 22 Ca -0.07 -1.27 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.64 2.39 0.39 1.61 2.02 -1.26 -1.79 117.35 117.07 1x1g s TYR 23 Ca 0.00 -1.57 0.08 0.00 -0.37 0.00 0.00 57.07 55.21 1x1g s TYR 23 Cb 0.00 -1.63 -0.03 0.00 -0.40 0.00 0.00 41.96 39.90 1x1g s TYR 23 CO 0.00 -0.74 0.32 -0.51 -1.57 0.00 0.00 175.55 173.05 1x1g s LEU 24 N 1.40 3.43 -0.25 -1.29 1.43 0.12 -4.07 118.68 119.45 1x1g s LEU 24 Ca -0.01 -0.69 -0.02 0.00 -1.03 0.00 0.00 54.13 52.38 1x1g s LEU 24 Cb -0.16 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 44.04 1x1g s LEU 24 CO -0.08 -0.53 -0.05 0.00 0.23 0.00 0.00 176.35 175.91 1x1g s ALA 25 N -2.43 2.72 0.38 4.21 0.00 -1.02 0.16 121.76 125.78 1x1g s ALA 25 Ca 0.45 -1.46 -0.12 0.00 0.00 0.00 0.00 51.96 50.83 1x1g s ALA 25 Cb -0.03 -1.71 -0.07 0.00 0.00 0.00 0.00 23.12 21.30 1x1g s ALA 25 CO 0.27 -0.81 0.76 0.15 0.00 0.00 0.00 175.76 176.13 1x1g s LYS 26 N 1.33 3.85 -0.69 0.00 -0.14 -0.25 -1.32 119.74 122.53 1x1g s LYS 26 Ca 0.00 0.54 -0.01 0.00 -1.36 0.00 0.00 55.97 55.15 1x1g s LYS 26 Cb -0.17 -2.40 0.17 0.00 -1.68 0.00 0.00 37.83 33.76 1x1g s LYS 26 CO -0.04 0.02 0.50 -1.14 -0.76 0.00 0.00 175.35 173.94 1x1g s GLN 27 N -3.56 2.65 0.00 1.68 0.74 -1.15 -2.12 119.66 117.90 1x1g s GLN 27 Ca 0.52 -2.82 0.00 0.00 0.05 0.00 0.00 55.36 53.11 1x1g s GLN 27 Cb -0.10 -3.70 0.00 0.00 1.10 0.00 0.00 33.01 30.31 1x1g s GLN 27 CO 0.27 -1.20 0.00 0.41 -0.55 0.00 0.00 175.29 174.22 1x1g n GLY 28 N 2.98 -0.95 3.65 2.59 0.00 -1.26 -4.84 105.19 107.35 1x1g n GLY 28 Ca 0.12 0.32 0.02 0.00 0.00 0.00 0.00 46.02 46.48 1x1g n GLY 28 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1x1g s HIS 29 N 0.00 -0.10 0.26 1.61 2.46 -1.26 -5.08 115.29 113.18 1x1g s HIS 29 Ca 0.00 0.19 0.00 0.00 0.47 0.00 0.00 55.06 55.72 1x1g s HIS 29 Cb 0.00 0.07 0.00 0.00 -0.13 0.00 0.00 32.58 32.52 1x1g s HIS 29 CO 0.00 -0.05 0.00 1.17 -2.47 0.00 0.00 174.74 173.39 1x1g n LYS 30 N 3.07 -3.14 -2.53 2.88 4.81 -1.26 -4.67 118.16 117.31 1x1g n LYS 30 Ca -0.17 2.29 -0.41 0.00 -0.87 0.00 0.00 58.31 59.15 1x1g n LYS 30 Cb 0.56 -2.53 -0.02 0.00 0.02 0.00 0.00 35.03 33.06 1x1g n LYS 30 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1x1g s ARG 31 N -3.25 3.61 0.00 1.64 3.52 -1.26 -4.13 118.95 119.08 1x1g s ARG 31 Ca 0.00 -1.28 0.00 0.00 -0.13 0.00 0.00 55.73 54.32 1x1g s ARG 31 Cb 0.00 -5.38 0.00 0.00 -1.56 0.00 0.00 34.95 28.01 1x1g s ARG 31 CO 0.00 -2.31 0.00 1.17 -0.81 0.00 0.00 175.30 173.35 1x1g n LYS 32 N 8.77 0.00 0.00 5.12 3.00 -1.26 -5.17 118.16 128.62 1x1g n LYS 32 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.68 1x1g n LYS 32 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.53 1x1g n LYS 32 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1x1g n ASN 33 N -1.18 0.00 -4.56 3.14 3.02 -1.26 -5.16 115.26 109.26 1x1g n ASN 33 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.27 1x1g n ASN 33 Cb 0.00 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 39.38 1x1g n ASN 33 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1x1g s TRP 34 N -1.60 1.71 -0.04 3.10 0.52 -1.26 -4.64 118.94 116.73 1x1g s TRP 34 Ca 0.00 1.01 -0.01 0.00 0.02 0.00 0.00 56.10 57.12 1x1g s TRP 34 Cb 0.00 -3.20 0.03 0.00 -1.15 0.00 0.00 33.47 29.15 1x1g s TRP 34 CO 0.00 -3.40 0.03 0.15 0.02 0.00 0.00 176.95 173.75 1x1g s LYS 35 N -4.79 0.13 -0.22 4.98 -0.14 -0.90 -4.98 119.74 113.82 1x1g s LYS 35 Ca 0.67 0.22 -0.29 0.00 -1.36 0.00 0.00 55.97 55.21 1x1g s LYS 35 Cb -0.21 -0.52 -0.01 0.00 -1.68 0.00 0.00 37.83 35.41 1x1g s LYS 35 CO 0.60 -0.24 1.34 0.08 -0.76 0.00 0.00 175.35 176.37 1x1g s VAL 36 N 1.62 4.11 0.21 3.17 1.01 -1.26 -1.09 120.40 128.17 1x1g s VAL 36 Ca -0.02 1.30 0.10 0.00 0.00 0.00 0.00 61.98 63.36 1x1g s VAL 36 Cb -0.13 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 1x1g s VAL 36 CO -0.03 -0.29 -0.19 -0.60 0.00 0.00 0.00 175.10 173.99 1x1g s ARG 37 N 3.95 1.46 -0.38 2.72 3.52 0.44 -4.56 118.95 126.09 1x1g s ARG 37 Ca 0.58 -1.58 -0.20 0.00 -0.13 0.00 0.00 55.73 54.40 1x1g s ARG 37 Cb -0.21 -1.52 0.01 0.00 -1.56 0.00 0.00 34.95 31.68 1x1g s ARG 37 CO 0.21 0.29 0.62 0.50 -0.81 0.00 0.00 175.30 176.11 1x1g s ARG 38 N -3.18 3.53 0.06 5.12 3.52 -0.35 0.13 118.95 127.78 1x1g s ARG 38 Ca 0.23 -0.13 0.03 0.00 -0.13 0.00 0.00 55.73 55.73 1x1g s ARG 38 Cb -0.05 -3.86 -0.04 0.00 -1.56 0.00 0.00 34.95 29.45 1x1g s ARG 38 CO 0.10 -0.81 0.03 -0.06 -0.81 0.00 0.00 175.30 173.74 1x1g s PHE 39 N 2.69 3.08 -0.02 5.12 0.40 -0.74 0.16 117.98 128.67 1x1g s PHE 39 Ca 0.23 0.04 0.02 0.00 -0.60 0.00 0.00 56.93 56.62 1x1g s PHE 39 Cb -0.15 -1.60 0.00 0.00 0.51 0.00 0.00 43.02 41.79 1x1g s PHE 39 CO 0.16 0.49 -0.09 0.54 0.70 0.00 0.00 175.22 177.02 1x1g s VAL 40 N -1.27 0.75 -0.19 -0.44 0.11 0.51 -2.24 120.40 117.63 1x1g s VAL 40 Ca 0.25 -0.35 -0.04 0.00 -2.93 0.00 0.00 61.98 58.92 1x1g s VAL 40 Cb -0.12 -0.66 -0.02 0.00 -1.53 0.00 0.00 36.38 34.05 1x1g s VAL 40 CO 0.17 0.23 -0.04 -0.22 -3.33 0.00 0.00 175.10 171.92 1x1g s LEU 41 N 0.17 3.04 0.32 2.54 0.20 0.76 -1.37 118.68 124.33 1x1g s LEU 41 Ca -0.03 -0.28 0.10 0.00 0.69 0.00 0.00 54.13 54.61 1x1g s LEU 41 Cb -0.08 -1.75 -0.05 0.00 -0.43 0.00 0.00 46.19 43.87 1x1g s LEU 41 CO 0.00 0.06 -0.06 -0.13 -0.29 0.00 0.00 176.35 175.93 1x1g s ARG 42 N 1.01 1.97 -0.01 1.98 0.52 -0.11 -0.14 118.95 124.16 1x1g s ARG 42 Ca 0.01 -1.75 -0.01 0.00 -0.52 0.00 0.00 55.73 53.46 1x1g s ARG 42 Cb -0.15 -1.88 0.00 0.00 0.52 0.00 0.00 34.95 33.45 1x1g s ARG 42 CO 0.01 0.21 0.03 -1.59 0.02 0.00 0.00 175.30 173.98 1x1g s LYS 43 N -3.64 0.05 -0.52 3.54 -2.85 0.27 -3.01 119.74 113.57 1x1g s LYS 43 Ca 0.33 0.03 -0.22 0.00 -1.00 0.00 0.00 55.97 55.11 1x1g s LYS 43 Cb -0.02 0.02 0.03 0.00 -2.06 0.00 0.00 37.83 35.81 1x1g s LYS 43 CO 0.18 -0.01 0.64 -3.47 0.10 0.00 0.00 175.35 172.79 1x1g n ASP 44 N 3.03 -6.57 -4.65 0.03 2.03 -1.26 0.13 116.55 109.29 1x1g n ASP 44 Ca -0.12 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.90 1x1g n ASP 44 Cb 0.60 -3.42 0.15 0.00 -0.72 0.00 0.00 41.12 37.72 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 -2.88 0.90 -0.59 -0.67 0.04 -1.26 -3.90 135.00 126.64 1x1g s PRO 45 Ca 0.25 0.19 -0.17 0.00 0.04 0.00 0.00 61.00 61.31 1x1g s PRO 45 Cb -0.04 -1.82 0.12 0.00 0.04 0.00 0.00 34.50 32.80 1x1g s PRO 45 CO 0.83 -2.34 0.62 0.00 0.04 0.00 0.00 177.00 176.15 1x1g s ALA 46 N -3.31 3.56 0.07 8.56 0.00 -1.26 -4.55 121.76 124.82 1x1g s ALA 46 Ca 0.65 -2.45 -0.03 0.00 0.00 0.00 0.00 51.96 50.14 1x1g s ALA 46 Cb -0.13 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 1x1g s ALA 46 CO 0.53 -2.21 0.04 -0.06 0.00 0.00 0.00 175.76 174.07 1x1g s PHE 47 N 2.05 0.45 -0.15 0.00 0.40 -1.17 -2.99 117.98 116.56 1x1g s PHE 47 Ca 0.08 -0.95 -0.02 0.00 -0.60 0.00 0.00 56.93 55.44 1x1g s PHE 47 Cb -0.26 -0.31 0.05 0.00 0.51 0.00 0.00 43.02 43.01 1x1g s PHE 47 CO 0.04 -0.44 0.01 -1.17 0.70 0.00 0.00 175.22 174.35 1x1g s LEU 48 N -2.92 1.13 0.35 -0.37 2.96 -0.80 -0.94 118.68 118.10 1x1g s LEU 48 Ca 0.08 -0.59 0.09 0.00 -0.22 0.00 0.00 54.13 53.49 1x1g s LEU 48 Cb 0.07 -0.63 -0.06 0.00 0.50 0.00 0.00 46.19 46.07 1x1g s LEU 48 CO -0.09 -0.25 -0.06 -1.00 -1.32 0.00 0.00 176.35 173.63 1x1g s HIS 49 N 1.83 2.45 0.17 5.38 3.76 -0.47 -0.78 115.29 127.63 1x1g s HIS 49 Ca 0.01 -0.51 -0.15 0.00 -0.15 0.00 0.00 55.06 54.27 1x1g s HIS 49 Cb -0.15 -1.45 0.02 0.00 1.11 0.00 0.00 32.58 32.10 1x1g s HIS 49 CO -0.07 0.54 0.43 1.52 -0.85 0.00 0.00 174.74 176.31 1x1g s TYR 50 N -2.60 0.02 -0.00 1.40 1.13 -1.26 0.19 117.35 116.24 1x1g s TYR 50 Ca 0.33 -0.37 0.00 0.00 -1.41 0.00 0.00 57.07 55.62 1x1g s TYR 50 Cb 0.03 0.24 0.00 0.00 -1.10 0.00 0.00 41.96 41.13 1x1g s TYR 50 CO 0.17 -0.82 -0.00 0.71 -2.51 0.00 0.00 175.55 173.10 1x1g s TYR 51 N -3.89 0.05 -0.04 -3.49 1.51 0.43 0.47 117.35 112.39 1x1g s TYR 51 Ca 0.11 0.00 -0.30 0.00 -1.01 0.00 0.00 57.07 55.87 1x1g s TYR 51 Cb 0.01 -0.05 -0.04 0.00 -0.11 0.00 0.00 41.96 41.77 1x1g s TYR 51 CO -0.03 -0.01 1.23 0.34 -1.11 0.00 0.00 175.55 175.97 1x1g s ASP 52 N 0.08 7.02 0.09 2.29 2.15 -1.26 -1.22 116.67 125.82 1x1g s ASP 52 Ca -0.01 1.87 -0.13 0.00 0.43 0.00 0.00 52.55 54.71 1x1g s ASP 52 Cb -0.01 -2.56 -0.19 0.00 -0.30 0.00 0.00 42.92 39.85 1x1g s ASP 52 CO -0.00 -0.60 1.24 1.55 -0.17 0.00 0.00 175.17 177.19 1x1g h PRO 53 N 7.50 0.72 -0.83 4.34 0.13 -1.95 -3.24 132.00 138.67 1x1g h PRO 53 Ca -0.35 -0.70 0.21 0.00 -0.87 0.00 0.00 66.00 64.28 1x1g h PRO 53 Cb 1.17 0.18 -0.13 0.00 0.13 0.00 0.00 31.00 32.34 1x1g h PRO 53 CO 0.88 1.29 0.20 0.77 -0.23 0.00 0.00 178.00 180.91 1x1g h SER 54 N 0.44 -0.03 -3.89 1.44 0.02 -1.91 -3.40 113.55 106.21 1x1g h SER 54 Ca -0.10 0.18 -0.44 0.00 -0.84 0.00 0.00 61.79 60.59 1x1g h SER 54 Cb 1.59 0.25 0.18 0.00 0.14 0.00 0.00 62.40 64.56 1x1g h SER 54 CO 0.19 -0.12 0.40 -0.54 -1.14 0.00 0.00 176.83 175.62 1x1g s LYS 55 N -5.98 0.27 -0.53 3.45 -0.14 -1.22 -5.04 119.74 110.54 1x1g s LYS 55 Ca -0.12 -0.46 0.06 0.00 -1.36 0.00 0.00 55.97 54.08 1x1g s LYS 55 Cb 0.24 -1.81 0.21 0.00 -1.68 0.00 0.00 37.83 34.79 1x1g s LYS 55 CO 0.77 -2.66 0.52 0.39 -0.76 0.00 0.00 175.35 173.61 1x1g n GLU 56 N -3.92 1.30 -4.27 1.68 -0.58 -1.26 -4.97 120.64 108.61 1x1g n GLU 56 Ca 0.16 -3.88 -0.16 0.00 -0.42 0.00 0.00 57.16 52.87 1x1g n GLU 56 Cb 0.59 -1.85 -0.10 0.00 -0.57 0.00 0.00 31.44 29.52 1x1g n GLU 56 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1x1g s GLU 57 N -1.25 1.42 -0.22 3.49 2.12 -1.26 -5.08 118.70 117.92 1x1g s GLU 57 Ca 0.33 -1.78 -0.05 0.00 0.36 0.00 0.00 54.97 53.83 1x1g s GLU 57 Cb 0.08 0.10 -0.12 0.00 0.26 0.00 0.00 34.13 34.45 1x1g s GLU 57 CO -0.12 -0.43 -0.24 0.09 -0.54 0.00 0.00 175.26 174.01 1x1g n ASN 58 N -0.67 1.98 -4.68 -1.70 4.13 -1.26 -4.99 115.26 108.06 1x1g n ASN 58 Ca 0.02 0.08 -0.37 0.00 1.68 0.00 0.00 54.58 55.99 1x1g n ASN 58 Cb 0.65 -0.51 0.06 0.00 -1.54 0.00 0.00 39.78 38.44 1x1g n ASN 58 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1x1g n ARG 59 N -3.58 1.06 -1.55 3.52 1.74 -1.26 -4.98 116.66 111.60 1x1g n ARG 59 Ca -0.42 0.41 -0.30 0.00 -0.77 0.00 0.00 57.85 56.77 1x1g n ARG 59 Cb 0.87 -2.37 0.08 0.00 -1.02 0.00 0.00 32.46 30.02 1x1g n ARG 59 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1x1g s PRO 60 N -3.06 2.22 0.29 5.56 0.04 -1.26 -4.81 135.00 133.99 1x1g s PRO 60 Ca 0.79 0.69 0.07 0.00 0.04 0.00 0.00 61.00 62.59 1x1g s PRO 60 Cb -0.40 -1.93 0.45 0.00 0.04 0.00 0.00 34.50 32.66 1x1g s PRO 60 CO 0.44 -1.54 1.69 0.28 0.04 0.00 0.00 177.00 177.91 1x1g h VAL 61 N -1.03 1.32 0.00 -0.36 2.07 -0.34 -3.45 116.25 114.46 1x1g h VAL 61 Ca -0.46 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 65.48 1x1g h VAL 61 Cb 1.26 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 1x1g h VAL 61 CO 0.59 0.47 0.00 0.61 0.02 0.00 0.00 177.57 179.25 1x1g n GLY 62 N -0.14 -0.65 3.51 2.17 0.00 -1.26 -5.09 105.19 103.74 1x1g n GLY 62 Ca -0.02 0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.66 3.20 -0.02 0.00 -1.26 -4.88 105.19 100.58 1x1g n GLY 63 Ca 0.00 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.46 1.06 0.75 1.61 -0.71 0.04 -4.94 117.98 113.33 1x1g s PHE 64 Ca 0.68 -0.82 -0.11 0.00 -1.04 0.00 0.00 56.93 55.64 1x1g s PHE 64 Cb -0.25 -0.57 0.04 0.00 -1.21 0.00 0.00 43.02 41.03 1x1g s PHE 64 CO 0.64 -0.04 1.09 -1.54 -1.34 0.00 0.00 175.22 174.03 1x1g s SER 65 N -3.03 4.72 -0.07 1.98 1.04 -1.26 -1.91 113.70 115.17 1x1g s SER 65 Ca 0.13 1.80 0.03 0.00 0.48 0.00 0.00 55.95 58.39 1x1g s SER 65 Cb 0.03 -2.52 -0.06 0.00 0.10 0.00 0.00 66.02 63.57 1x1g s SER 65 CO -0.02 -1.89 -0.02 0.18 0.98 0.00 0.00 173.24 172.47 1x1g n LEU 66 N -3.35 1.39 -0.14 2.42 4.77 -1.16 -4.60 117.00 116.33 1x1g n LEU 66 Ca 0.09 -0.02 -0.04 0.00 -0.03 0.00 0.00 56.01 56.01 1x1g n LEU 66 Cb 0.53 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 1x1g n LEU 66 CO 0.53 0.37 0.39 0.54 -1.33 0.00 0.00 177.39 177.89 1x1g n ARG 67 N -2.45 -0.14 -1.79 3.23 5.12 -1.25 0.30 116.66 119.67 1x1g n ARG 67 Ca -0.11 0.95 -0.34 0.00 -1.93 0.00 0.00 57.85 56.41 1x1g n ARG 67 Cb 0.67 -1.41 -0.01 0.00 -1.16 0.00 0.00 32.46 30.55 1x1g n ARG 67 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x1g n GLY 68 N -1.08 5.03 3.51 -0.13 0.00 -1.26 -4.38 105.19 106.89 1x1g n GLY 68 Ca 0.01 -2.19 -0.26 0.00 0.00 0.00 0.00 46.02 43.57 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 0.29 1.20 -3.59 1.61 7.64 0.15 -0.93 113.62 119.99 1x1g n SER 69 Ca 0.52 -3.28 -0.14 0.00 1.01 0.00 0.00 58.87 56.98 1x1g n SER 69 Cb 0.38 1.10 -0.06 0.00 -1.01 0.00 0.00 64.21 64.62 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 -0.03 0.00 -3.43 1.98 0.33 -4.60 118.68 112.93 1x1g s LEU 70 Ca 0.22 0.20 0.00 0.00 -2.89 0.00 0.00 54.13 51.66 1x1g s LEU 70 Cb 0.01 2.08 -0.00 0.00 0.66 0.00 0.00 46.19 48.94 1x1g s LEU 70 CO 0.16 -0.69 -0.01 0.54 -1.89 0.00 0.00 176.35 174.45 1x1g s VAL 71 N -2.29 0.08 0.21 1.68 0.11 -1.26 0.18 120.40 119.10 1x1g s VAL 71 Ca -0.06 -0.07 -0.02 0.00 -2.93 0.00 0.00 61.98 58.89 1x1g s VAL 71 Cb -0.01 -0.08 -0.04 0.00 -1.53 0.00 0.00 36.38 34.72 1x1g s VAL 71 CO -0.01 0.00 0.17 -0.94 -3.33 0.00 0.00 175.10 170.99 1x1g s SER 72 N -0.08 0.14 -0.09 3.54 1.04 0.45 -4.93 113.70 113.78 1x1g s SER 72 Ca -0.00 -1.35 0.01 0.00 0.48 0.00 0.00 55.95 55.09 1x1g s SER 72 Cb -0.01 0.40 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 1x1g s SER 72 CO -0.00 -0.87 -0.12 0.00 0.98 0.00 0.00 173.24 173.23 1x1g s ALA 73 N -4.14 2.73 -0.63 5.32 0.00 -1.26 0.11 121.76 123.89 1x1g s ALA 73 Ca 0.37 -0.92 -0.28 0.00 0.00 0.00 0.00 51.96 51.14 1x1g s ALA 73 Cb 0.06 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 22.06 1x1g s ALA 73 CO 0.12 0.42 1.29 -0.51 0.00 0.00 0.00 175.76 177.08 1x1g s LEU 74 N -0.27 3.33 -0.26 0.00 1.43 -1.02 -4.92 118.68 116.97 1x1g s LEU 74 Ca 0.02 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1x1g s LEU 74 Cb -0.13 -2.91 0.07 0.00 0.03 0.00 0.00 46.19 43.25 1x1g s LEU 74 CO 0.03 -1.68 -0.06 -1.83 0.23 0.00 0.00 176.35 173.04 1x1g s GLU 75 N 5.41 1.85 -0.24 1.70 -1.05 -1.26 -4.28 118.70 120.82 1x1g s GLU 75 Ca 0.43 -1.29 -0.37 0.00 -0.15 0.00 0.00 54.97 53.59 1x1g s GLU 75 Cb -0.08 -2.80 0.16 0.00 -0.44 0.00 0.00 34.13 30.97 1x1g s GLU 75 CO 0.22 -0.65 1.39 0.34 0.95 0.00 0.00 175.26 177.51 1x1g s ASP 76 N 1.19 -0.01 -0.85 0.83 2.15 -1.26 -5.07 116.67 113.66 1x1g s ASP 76 Ca -0.04 -0.00 -0.22 0.00 0.43 0.00 0.00 52.55 52.71 1x1g s ASP 76 Cb -0.19 0.01 -0.21 0.00 -0.30 0.00 0.00 42.92 42.23 1x1g s ASP 76 CO -0.07 -0.02 2.41 0.59 -0.17 0.00 0.00 175.17 177.91 1x1g n ASN 77 N -0.12 0.52 0.00 -0.34 3.02 -1.26 -4.47 115.26 112.61 1x1g n ASN 77 Ca 0.02 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 54.00 1x1g n ASN 77 Cb 0.58 -1.11 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 1x1g n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x1g n GLY 78 N 6.17 0.47 3.58 7.41 0.00 -1.26 -4.61 105.19 116.96 1x1g n GLY 78 Ca 0.56 0.44 -0.60 0.00 0.00 0.00 0.00 46.02 46.42 1x1g n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1x1g n VAL 79 N 0.00 0.02 0.00 1.61 0.31 -1.26 -4.74 118.33 114.27 1x1g n VAL 79 Ca 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1x1g n VAL 79 Cb 0.00 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.62 1x1g n VAL 79 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1x1g n PRO 80 N 2.46 0.00 0.00 5.55 -0.04 -1.26 -4.76 135.00 136.95 1x1g n PRO 80 Ca 0.23 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 1x1g n PRO 80 Cb 0.07 -0.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 1x1g n PRO 80 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1x1g n THR 81 N -0.85 0.00 -3.37 0.52 -1.04 -1.26 -4.94 114.28 103.33 1x1g n THR 81 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 1x1g n THR 81 Cb 0.00 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 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 0.13 4.60 3.06 3.41 0.00 -1.26 -5.05 105.19 110.08 1x1g n GLY 82 Ca 0.00 -2.62 -0.08 0.00 0.00 0.00 0.00 46.02 43.32 1x1g n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x1g s VAL 83 N -2.39 0.16 0.00 1.61 1.01 -1.26 -5.11 120.40 114.42 1x1g s VAL 83 Ca 0.40 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1x1g s VAL 83 Cb 0.16 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.61 1x1g s VAL 83 CO -0.03 -0.73 0.00 0.29 0.00 0.00 0.00 175.10 174.63 1x1g n LYS 84 N 0.79 0.00 0.00 2.72 4.01 -1.26 -4.82 118.16 119.60 1x1g n LYS 84 Ca -0.19 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.61 1x1g n LYS 84 Cb 0.58 -0.40 0.00 0.00 -0.51 0.00 0.00 35.03 34.70 1x1g n LYS 84 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1x1g n GLY 85 N 0.00 0.85 0.80 0.72 0.00 -1.26 -4.97 105.19 101.33 1x1g n GLY 85 Ca 0.00 -0.34 0.07 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 3.50 0.00 1.61 0.23 -1.26 -4.39 115.26 114.95 1x1g n ASN 86 Ca 0.00 -3.12 0.00 0.00 -0.53 0.00 0.00 54.58 50.93 1x1g n ASN 86 Cb 0.00 -0.54 0.00 0.00 -2.08 0.00 0.00 39.78 37.16 1x1g n ASN 86 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1x1g n VAL 87 N -0.72 0.00 0.00 3.53 0.31 -1.26 -4.53 118.33 115.65 1x1g n VAL 87 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1x1g n VAL 87 Cb 0.87 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.80 1x1g n VAL 87 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x1g n GLN 88 N 0.00 0.00 -3.98 5.55 1.13 -1.26 -5.15 117.38 113.67 1x1g n GLN 88 Ca 0.00 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 54.90 1x1g n GLN 88 Cb 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 30.24 30.20 1x1g n GLN 88 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1x1g s GLY 89 N 0.00 0.20 0.00 1.08 0.00 -1.26 -4.99 107.32 102.35 1x1g s GLY 89 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.76 1x1g s GLY 89 CO 0.00 0.30 0.00 0.70 0.00 0.00 0.00 173.10 174.10 1x1g n ASN 90 N 3.65 0.00 -1.01 1.64 3.02 -1.26 -4.90 115.26 116.40 1x1g n ASN 90 Ca -0.21 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.46 1x1g n ASN 90 Cb 0.54 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.68 1x1g n ASN 90 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1x1g n LEU 91 N 0.00 0.00 -3.49 3.41 4.77 -1.26 -3.03 117.00 117.39 1x1g n LEU 91 Ca 0.00 0.95 -0.15 0.00 -0.03 0.00 0.00 56.01 56.78 1x1g n LEU 91 Cb 0.00 -2.66 -0.04 0.00 -2.33 0.00 0.00 43.42 38.39 1x1g n LEU 91 CO 0.00 -1.94 0.47 0.72 -1.33 0.00 0.00 177.39 175.32 1x1g s PHE 92 N -1.56 -0.57 0.33 -1.77 -0.71 -1.09 -2.44 117.98 110.17 1x1g s PHE 92 Ca 0.00 0.75 0.10 0.00 -1.04 0.00 0.00 56.93 56.74 1x1g s PHE 92 Cb 0.00 0.47 -0.06 0.00 -1.21 0.00 0.00 43.02 42.22 1x1g s PHE 92 CO 0.00 -0.66 -0.10 -1.59 -1.34 0.00 0.00 175.22 171.53 1x1g s LYS 93 N -2.18 1.85 -0.32 1.99 -2.85 0.12 -0.73 119.74 117.62 1x1g s LYS 93 Ca -0.05 -1.85 0.02 0.00 -1.00 0.00 0.00 55.97 53.09 1x1g s LYS 93 Cb -0.00 -1.77 0.10 0.00 -2.06 0.00 0.00 37.83 34.09 1x1g s LYS 93 CO 0.00 0.19 0.05 0.08 0.10 0.00 0.00 175.35 175.78 1x1g s VAL 94 N -2.56 1.75 -0.68 1.79 1.01 -0.05 -0.41 120.40 121.25 1x1g s VAL 94 Ca 0.32 -1.93 -0.24 0.00 0.00 0.00 0.00 61.98 60.14 1x1g s VAL 94 Cb -0.00 -2.27 0.06 0.00 0.00 0.00 0.00 36.38 34.17 1x1g s VAL 94 CO 0.17 -0.57 1.05 -0.63 0.00 0.00 0.00 175.10 175.12 1x1g s ILE 95 N 1.18 4.16 0.64 2.22 1.01 0.47 -1.15 121.20 129.74 1x1g s ILE 95 Ca 0.09 -0.16 -0.11 0.00 0.00 0.00 0.00 60.65 60.47 1x1g s ILE 95 Cb -0.18 -4.75 0.15 0.00 0.01 0.00 0.00 42.46 37.69 1x1g s ILE 95 CO -0.14 -1.57 0.74 0.35 0.00 0.00 0.00 174.94 174.33 1x1g n THR 96 N 6.05 0.00 0.24 2.92 -2.24 -1.26 0.12 114.28 120.12 1x1g n THR 96 Ca -0.02 -0.47 0.11 0.00 -2.27 0.00 0.00 64.05 61.40 1x1g n THR 96 Cb 0.46 -1.49 0.71 0.00 -2.10 0.00 0.00 70.33 67.92 1x1g n THR 96 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1x1g h LYS 97 N 0.00 0.00 -0.38 -0.78 3.64 -1.38 0.64 116.57 118.30 1x1g h LYS 97 Ca -0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1x1g h LYS 97 Cb 0.73 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1x1g h LYS 97 CO 0.17 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 177.10 1x1g n ASP 98 N -4.34 1.78 -4.44 4.20 9.92 -1.26 -4.88 116.55 117.52 1x1g n ASP 98 Ca -0.02 -2.06 -0.38 0.00 -0.53 0.00 0.00 54.79 51.81 1x1g n ASP 98 Cb 0.14 -0.26 -0.09 0.00 -0.64 0.00 0.00 41.12 40.28 1x1g n ASP 98 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1x1g n ASP 99 N 0.34 -0.64 -0.05 -2.24 8.00 0.22 -4.80 116.55 117.39 1x1g n ASP 99 Ca 0.10 -1.26 -0.14 0.00 0.71 0.00 0.00 54.79 54.21 1x1g n ASP 99 Cb 0.31 -1.62 -0.08 0.00 -0.02 0.00 0.00 41.12 39.71 1x1g n ASP 99 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1x1g h THR 100 N -1.28 1.37 -3.18 -3.53 2.02 -1.84 -3.46 112.91 103.01 1x1g h THR 100 Ca -0.63 -1.43 0.00 0.00 0.77 0.00 0.00 66.41 65.13 1x1g h THR 100 Cb 1.39 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 69.80 1x1g h THR 100 CO 0.81 0.42 -0.08 1.41 0.37 0.00 0.00 175.52 178.45 1x1g n HIS 101 N -4.51 -0.33 -3.39 3.16 -0.00 -1.18 -4.98 115.22 103.97 1x1g n HIS 101 Ca -0.07 0.15 -0.44 0.00 -0.00 0.00 0.00 57.72 57.36 1x1g n HIS 101 Cb 0.40 -1.71 -0.08 0.00 -0.00 0.00 0.00 29.99 28.60 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 -0.22 3.23 0.04 4.41 2.02 -0.30 -4.78 117.35 121.75 1x1g s TYR 102 Ca 0.00 -0.78 -0.30 0.00 -0.37 0.00 0.00 57.07 55.62 1x1g s TYR 102 Cb -0.00 -3.01 -0.05 0.00 -0.40 0.00 0.00 41.96 38.50 1x1g s TYR 102 CO 0.07 -0.74 1.22 0.71 -1.57 0.00 0.00 175.55 175.24 1x1g s TYR 103 N 1.73 3.34 0.14 2.71 1.51 -1.26 -0.87 117.35 124.65 1x1g s TYR 103 Ca 0.05 1.23 0.00 0.00 -1.01 0.00 0.00 57.07 57.35 1x1g s TYR 103 Cb -0.22 -3.45 -0.04 0.00 -0.11 0.00 0.00 41.96 38.13 1x1g s TYR 103 CO 0.08 -1.43 0.01 0.42 -1.11 0.00 0.00 175.55 173.53 1x1g s ILE 104 N 1.36 0.42 0.10 2.71 1.01 0.09 -2.93 121.20 123.96 1x1g s ILE 104 Ca 0.59 -1.93 0.10 0.00 0.00 0.00 0.00 60.65 59.40 1x1g s ILE 104 Cb -0.29 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 1x1g s ILE 104 CO 0.28 -0.56 -0.25 -1.58 0.00 0.00 0.00 174.94 172.83 1x1g s GLN 105 N -3.96 1.40 0.05 2.79 0.74 -0.44 -2.65 119.66 117.59 1x1g s GLN 105 Ca 0.21 -1.22 -0.00 0.00 0.05 0.00 0.00 55.36 54.40 1x1g s GLN 105 Cb 0.07 -1.74 -0.04 0.00 1.10 0.00 0.00 33.01 32.39 1x1g s GLN 105 CO 0.01 0.42 0.19 0.00 -0.55 0.00 0.00 175.29 175.36 1x1g s ALA 106 N -1.01 3.94 0.16 1.58 0.00 -1.26 -2.43 121.76 122.74 1x1g s ALA 106 Ca 0.11 -0.85 -0.16 0.00 0.00 0.00 0.00 51.96 51.06 1x1g s ALA 106 Cb -0.10 -1.79 0.07 0.00 0.00 0.00 0.00 23.12 21.30 1x1g s ALA 106 CO 0.04 0.80 1.73 0.77 0.00 0.00 0.00 175.76 179.10 1x1g h SER 107 N 3.25 -0.01 -4.69 0.00 0.02 -1.90 -3.44 113.55 106.77 1x1g h SER 107 Ca -0.46 0.06 -0.24 0.00 -0.84 0.00 0.00 61.79 60.31 1x1g h SER 107 Cb 1.17 0.09 -0.18 0.00 0.14 0.00 0.00 62.40 63.61 1x1g h SER 107 CO 0.73 0.03 -0.71 -0.55 -1.14 0.00 0.00 176.83 175.19 1x1g s SER 108 N -5.30 0.99 0.35 3.07 0.15 -1.26 -4.99 113.70 106.71 1x1g s SER 108 Ca -0.13 -0.79 0.15 0.00 0.70 0.00 0.00 55.95 55.87 1x1g s SER 108 Cb 0.13 0.07 1.15 0.00 -1.71 0.00 0.00 66.02 65.65 1x1g s SER 108 CO 0.71 -0.35 1.58 0.11 1.20 0.00 0.00 173.24 176.49 1x1g h LYS 109 N 3.69 0.02 0.53 5.44 1.57 -1.97 0.58 116.57 126.43 1x1g h LYS 109 Ca -0.35 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.40 1x1g h LYS 109 Cb 1.18 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.49 1x1g h LYS 109 CO 0.53 0.01 -0.26 0.00 -0.57 0.00 0.00 179.45 179.17 1x1g h ALA 110 N 1.99 -0.72 -0.98 3.86 0.00 -1.97 -2.91 119.26 118.53 1x1g h ALA 110 Ca 0.77 -0.20 0.41 0.00 0.00 0.00 0.00 54.91 55.89 1x1g h ALA 110 Cb 1.90 0.28 -0.17 0.00 0.00 0.00 0.00 17.79 19.80 1x1g h ALA 110 CO -0.81 -0.76 0.54 -1.91 0.00 0.00 0.00 179.25 176.31 1x1g n GLU 111 N -5.30 -0.06 0.00 0.00 4.07 0.19 -0.83 120.64 118.72 1x1g n GLU 111 Ca -0.11 1.31 0.00 0.00 -0.06 0.00 0.00 57.16 58.30 1x1g n GLU 111 Cb 0.32 -2.37 0.00 0.00 -0.06 0.00 0.00 31.44 29.33 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 -5.13 0.00 -0.33 5.31 0.63 -0.41 0.11 116.66 116.84 1x1g n ARG 112 Ca 0.37 0.53 0.03 0.00 -0.92 0.00 0.00 57.85 57.85 1x1g n ARG 112 Cb 1.25 -1.47 0.10 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 -1.90 0.51 0.56 5.13 0.00 -0.91 1.32 119.26 123.96 1x1g h ALA 113 Ca 0.00 0.34 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1x1g h ALA 113 Cb 0.00 0.75 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1x1g h ALA 113 CO 0.00 -0.44 -0.43 0.93 0.00 0.00 0.00 179.25 179.31 1x1g h GLU 114 N -0.01 -0.93 -0.97 0.00 4.39 -0.99 1.66 114.58 117.74 1x1g h GLU 114 Ca 0.42 0.06 0.17 0.00 0.34 0.00 0.00 59.36 60.35 1x1g h GLU 114 Cb 0.65 0.21 -0.10 0.00 -0.10 0.00 0.00 28.75 29.41 1x1g h GLU 114 CO -0.94 -0.62 0.57 -1.49 -1.16 0.00 0.00 179.01 175.37 1x1g h TRP 115 N -0.96 1.01 0.00 4.33 4.06 0.37 1.12 115.95 125.88 1x1g h TRP 115 Ca -0.06 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.92 1x1g h TRP 115 Cb 0.81 -0.30 0.00 0.00 -1.00 0.00 0.00 29.16 28.67 1x1g h TRP 115 CO -0.17 0.25 0.00 -0.89 -3.56 0.00 0.00 178.44 174.07 1x1g n ILE 116 N -4.77 0.00 -0.30 1.49 5.41 0.42 -1.62 119.36 119.99 1x1g n ILE 116 Ca 0.21 0.64 0.22 0.00 1.00 0.00 0.00 62.75 64.82 1x1g n ILE 116 Cb 0.51 -1.28 0.41 0.00 -0.71 0.00 0.00 39.64 38.57 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 -0.74 -0.06 0.00 0.38 2.13 0.56 -0.28 120.64 122.62 1x1g n GLU 117 Ca 0.00 1.31 -0.00 0.00 0.66 0.00 0.00 57.16 59.12 1x1g n GLU 117 Cb 0.00 -2.21 -0.00 0.00 0.27 0.00 0.00 31.44 29.50 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 1.82 -0.75 -0.78 4.31 0.00 0.13 0.24 119.26 124.21 1x1g h ALA 118 Ca 0.67 -0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.75 1x1g h ALA 118 Cb 1.61 0.25 -0.14 0.00 0.00 0.00 0.00 17.79 19.51 1x1g h ALA 118 CO -0.77 -0.75 -0.10 0.82 0.00 0.00 0.00 179.25 178.45 1x1g h ILE 119 N -0.00 0.26 -0.69 0.00 2.04 0.19 0.55 117.51 119.86 1x1g h ILE 119 Ca -0.00 -0.01 0.14 0.00 1.00 0.00 0.00 64.86 65.99 1x1g h ILE 119 Cb 0.00 0.21 -0.13 0.00 -0.74 0.00 0.00 36.82 36.17 1x1g h ILE 119 CO -0.00 0.01 -0.11 0.11 0.00 0.00 0.00 178.15 178.15 1x1g h LYS 120 N 0.04 0.03 -0.41 2.37 1.57 -0.31 0.54 116.57 120.40 1x1g h LYS 120 Ca 0.41 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.23 1x1g h LYS 120 Cb 0.68 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.91 1x1g h LYS 120 CO -0.75 0.02 -0.54 0.87 -0.57 0.00 0.00 179.45 178.48 1x1g h LYS 121 N 0.03 -0.36 -0.16 3.15 1.57 0.22 -0.79 116.57 120.23 1x1g h LYS 121 Ca 0.34 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.20 1x1g h LYS 121 Cb 0.55 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.87 1x1g h LYS 121 CO -0.67 -0.24 -0.33 -0.07 -0.57 0.00 0.00 179.45 177.57 1x1g h LEU 122 N -0.37 -1.02-10.31 2.94 -0.00 -0.83 -3.42 115.31 102.29 1x1g h LEU 122 Ca 0.07 0.15 -0.44 0.00 -0.00 0.00 0.00 57.88 57.67 1x1g h LEU 122 Cb 0.57 0.44 0.18 0.00 -0.00 0.00 0.00 40.66 41.85 1x1g h LEU 122 CO -0.58 -0.36 0.13 0.42 -0.00 0.00 0.00 178.44 178.05 1x1g s THR 123 N -5.99 1.91 0.00 0.22 -4.23 -0.01 -4.68 115.64 102.85 1x1g s THR 123 Ca -0.15 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.27 1x1g s THR 123 Cb 0.11 -2.39 -0.05 0.00 1.34 0.00 0.00 72.50 71.51 1x1g s THR 123 CO 0.66 0.00 0.79 -1.28 -0.54 0.00 0.00 174.62 174.25 1x1g h SER 124 N -2.25 -0.26 -3.96 3.99 0.87 -1.76 -3.46 113.55 106.72 1x1g h SER 124 Ca -0.55 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.05 1x1g h SER 124 Cb 1.33 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.35 1x1g h SER 124 CO 0.52 -0.13 -0.05 0.61 -0.53 0.00 0.00 176.83 177.25 1x1g n GLY 125 N -0.15 -1.82 0.16 5.77 0.00 -1.26 -4.67 105.19 103.22 1x1g n GLY 125 Ca -0.04 -1.49 -0.17 0.00 0.00 0.00 0.00 46.02 44.32 1x1g n GLY 125 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x1g h PRO 126 N -0.09 0.48 -5.47 1.61 0.13 -1.96 -3.49 132.00 123.20 1x1g h PRO 126 Ca -0.00 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1x1g h PRO 126 Cb 0.08 0.12 -0.06 0.00 0.13 0.00 0.00 31.00 31.28 1x1g h PRO 126 CO 0.00 1.11 -1.04 0.43 -0.23 0.00 0.00 178.00 178.27 1x1g n SER 127 N -4.19 -4.57 -4.32 1.44 7.64 -1.26 -4.96 113.62 103.40 1x1g n SER 127 Ca -0.10 1.17 -0.36 0.00 1.01 0.00 0.00 58.87 60.59 1x1g n SER 127 Cb 0.67 -3.99 -0.13 0.00 -1.01 0.00 0.00 64.21 59.74 1x1g n SER 127 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x1g s SER 128 N -0.79 4.70 0.00 6.43 1.04 -1.26 -5.29 113.70 118.53 1x1g s SER 128 Ca -0.12 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.75 1x1g s SER 128 Cb 0.01 -1.80 0.00 0.00 0.10 0.00 0.00 66.02 64.33 1x1g s SER 128 CO 0.52 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.25