#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1g n SER 2 N 0.00 -6.49 -4.77 1.61 3.41 -1.26 -4.83 113.62 101.29 1x1g n SER 2 Ca 0.00 0.02 -0.41 0.00 -0.26 0.00 0.00 58.87 58.22 1x1g n SER 2 Cb 0.00 -3.28 -0.00 0.00 -0.26 0.00 0.00 64.21 60.67 1x1g n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x1g n SER 3 N -0.59 3.73 -2.53 4.04 2.88 -1.26 -3.57 113.62 116.33 1x1g n SER 3 Ca -0.03 1.21 -0.04 0.00 -1.33 0.00 0.00 58.87 58.69 1x1g n SER 3 Cb 0.59 -1.61 0.02 0.00 -0.75 0.00 0.00 64.21 62.46 1x1g n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1g n GLY 4 N 0.73 -0.68 3.55 0.46 0.00 -1.26 -5.04 105.19 102.95 1x1g n GLY 4 Ca 0.03 0.24 -0.09 0.00 0.00 0.00 0.00 46.02 46.19 1x1g n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x1g s SER 5 N -2.88 -0.13 -0.44 1.61 0.01 -1.23 -5.12 113.70 105.51 1x1g s SER 5 Ca 0.12 -0.77 0.04 0.00 1.31 0.00 0.00 55.95 56.65 1x1g s SER 5 Cb -0.02 0.57 0.12 0.00 0.21 0.00 0.00 66.02 66.90 1x1g s SER 5 CO 0.47 -1.10 0.17 -0.44 0.41 0.00 0.00 173.24 172.75 1x1g s SER 6 N -2.96 4.51 0.32 2.44 0.01 -1.26 -4.99 113.70 111.77 1x1g s SER 6 Ca 0.17 -2.64 0.00 0.00 1.31 0.00 0.00 55.95 54.79 1x1g s SER 6 Cb -0.01 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.59 1x1g s SER 6 CO 0.04 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.01 1x1g n GLY 7 N 3.61 1.25 3.30 3.44 0.00 -1.26 -4.93 105.19 110.61 1x1g n GLY 7 Ca 0.05 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.13 1x1g n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x1g s SER 8 N -4.00 0.11 -0.28 1.61 0.01 -1.26 -5.05 113.70 104.84 1x1g s SER 8 Ca 0.00 -1.05 -0.21 0.00 1.31 0.00 0.00 55.95 56.00 1x1g s SER 8 Cb 0.00 0.41 0.12 0.00 0.21 0.00 0.00 66.02 66.76 1x1g s SER 8 CO 0.00 -0.88 0.94 -0.76 0.41 0.00 0.00 173.24 172.95 1x1g s LEU 9 N -3.03 -0.56 0.39 2.44 1.43 -1.26 -5.18 118.68 112.91 1x1g s LEU 9 Ca 0.23 0.99 0.06 0.00 -1.03 0.00 0.00 54.13 54.39 1x1g s LEU 9 Cb 0.04 1.96 0.00 0.00 0.03 0.00 0.00 46.19 48.23 1x1g s LEU 9 CO 0.04 -0.16 0.54 -0.44 0.23 0.00 0.00 176.35 176.55 1x1g s SER 10 N 0.77 5.82 0.17 2.29 0.01 -1.26 -5.12 113.70 116.38 1x1g s SER 10 Ca -0.03 -0.21 0.07 0.00 1.31 0.00 0.00 55.95 57.09 1x1g s SER 10 Cb -0.05 -1.05 -0.04 0.00 0.21 0.00 0.00 66.02 65.09 1x1g s SER 10 CO -0.10 -0.61 0.03 -0.89 0.41 0.00 0.00 173.24 172.09 1x1g s THR 11 N -2.30 3.91 0.20 1.44 2.01 -1.26 -5.02 115.64 114.61 1x1g s THR 11 Ca 0.49 -1.33 0.00 0.00 0.31 0.00 0.00 61.69 61.17 1x1g s THR 11 Cb -0.10 -2.97 0.00 0.00 0.01 0.00 0.00 72.50 69.45 1x1g s THR 11 CO 0.33 -0.10 0.00 0.55 -0.69 0.00 0.00 174.62 174.71 1x1g n VAL 12 N -0.14 0.02 -0.06 3.82 3.14 -1.26 -4.64 118.33 119.20 1x1g n VAL 12 Ca -0.09 0.01 -0.08 0.00 -2.96 0.00 0.00 64.34 61.21 1x1g n VAL 12 Cb 0.55 -0.36 -0.01 0.00 -1.06 0.00 0.00 33.84 32.96 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 0.15 -0.04 1.45 5.08 -1.98 0.14 114.58 119.38 1x1g h GLU 13 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1x1g h GLU 13 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1x1g h GLU 13 CO 0.00 0.10 0.00 1.28 -1.00 0.00 0.00 179.01 179.39 1x1g n LEU 14 N -5.08 0.42 -3.83 1.33 7.99 -1.26 -4.21 117.00 112.36 1x1g n LEU 14 Ca -0.01 -0.17 -0.39 0.00 -0.01 0.00 0.00 56.01 55.42 1x1g n LEU 14 Cb 0.11 -0.02 -0.01 0.00 -0.11 0.00 0.00 43.42 43.38 1x1g n LEU 14 CO 0.27 0.09 0.92 -1.20 -1.51 0.00 0.00 177.39 175.96 1x1g n SER 15 N -0.52 5.91 -4.03 -1.43 7.64 0.50 -4.98 113.62 116.70 1x1g n SER 15 Ca 0.15 -3.45 -0.08 0.00 1.01 0.00 0.00 58.87 56.51 1x1g n SER 15 Cb 0.14 -1.12 -0.10 0.00 -1.01 0.00 0.00 64.21 62.12 1x1g n SER 15 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x1g s GLY 16 N -1.96 0.36 -0.18 0.23 0.00 -1.26 -4.02 107.32 100.50 1x1g s GLY 16 Ca 0.34 -0.97 -0.29 0.00 0.00 0.00 0.00 44.72 43.79 1x1g s GLY 16 CO 0.06 -1.09 1.68 -1.59 0.00 0.00 0.00 173.10 172.17 1x1g s THR 17 N -3.37 3.59 -0.02 0.90 2.01 0.40 -4.52 115.64 114.63 1x1g s THR 17 Ca 0.02 0.68 -0.35 0.00 0.31 0.00 0.00 61.69 62.34 1x1g s THR 17 Cb 0.04 -3.58 -0.13 0.00 0.01 0.00 0.00 72.50 68.84 1x1g s THR 17 CO -0.08 -0.21 1.71 0.52 -0.69 0.00 0.00 174.62 175.86 1x1g n VAL 18 N 6.28 0.30 -0.05 3.82 0.31 -1.26 0.33 118.33 128.06 1x1g n VAL 18 Ca 0.19 -0.05 -0.05 0.00 -0.01 0.00 0.00 64.34 64.42 1x1g n VAL 18 Cb 0.45 -1.56 -0.08 0.00 -0.91 0.00 0.00 33.84 31.74 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 4.23 0.69 -3.67 2.52 0.24 -0.80 -4.85 118.33 116.68 1x1g n VAL 19 Ca 0.21 -0.42 -0.14 0.00 -2.04 0.00 0.00 64.34 61.95 1x1g n VAL 19 Cb 0.26 -0.74 -0.08 0.00 -1.47 0.00 0.00 33.84 31.80 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 -2.24 0.71 -0.00 7.34 2.47 -1.23 -5.01 119.74 121.77 1x1g s LYS 20 Ca -0.06 0.50 -0.10 0.00 -1.56 0.00 0.00 55.97 54.75 1x1g s LYS 20 Cb 0.03 0.34 0.01 0.00 -1.46 0.00 0.00 37.83 36.75 1x1g s LYS 20 CO 0.40 -0.14 0.21 -0.65 0.16 0.00 0.00 175.35 175.33 1x1g s GLN 21 N -0.25 0.56 0.00 4.03 -0.21 -1.26 0.18 119.66 122.70 1x1g s GLN 21 Ca -0.04 -0.31 0.00 0.00 0.02 0.00 0.00 55.36 55.03 1x1g s GLN 21 Cb -0.03 0.24 0.00 0.00 1.00 0.00 0.00 33.01 34.22 1x1g s GLN 21 CO 0.03 -0.14 0.00 0.41 -2.12 0.00 0.00 175.29 173.47 1x1g n GLY 22 N 1.39 -2.05 3.30 3.09 0.00 -0.79 -5.01 105.19 105.12 1x1g n GLY 22 Ca -0.22 -1.27 -0.35 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.57 2.94 0.38 1.61 1.51 -1.26 -0.16 117.35 119.79 1x1g s TYR 23 Ca 0.00 -0.96 0.08 0.00 -1.01 0.00 0.00 57.07 55.18 1x1g s TYR 23 Cb 0.00 -2.08 -0.06 0.00 -0.11 0.00 0.00 41.96 39.72 1x1g s TYR 23 CO 0.00 -0.54 0.09 -0.51 -1.11 0.00 0.00 175.55 173.48 1x1g s LEU 24 N 1.39 3.04 -0.35 -1.29 1.43 0.22 -4.46 118.68 118.67 1x1g s LEU 24 Ca 0.05 -1.06 -0.03 0.00 -1.03 0.00 0.00 54.13 52.06 1x1g s LEU 24 Cb -0.14 -1.35 0.07 0.00 0.03 0.00 0.00 46.19 44.80 1x1g s LEU 24 CO -0.04 -0.39 0.09 0.00 0.23 0.00 0.00 176.35 176.25 1x1g s ALA 25 N -2.57 2.98 -0.04 4.21 0.00 -1.24 0.20 121.76 125.30 1x1g s ALA 25 Ca 0.38 -2.09 -0.25 0.00 0.00 0.00 0.00 51.96 49.99 1x1g s ALA 25 Cb 0.03 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 1x1g s ALA 25 CO 0.21 -1.50 0.75 0.21 0.00 0.00 0.00 175.76 175.42 1x1g s LYS 26 N 1.21 4.46 -0.35 0.00 2.20 -1.07 -2.57 119.74 123.62 1x1g s LYS 26 Ca 0.01 0.99 -0.18 0.00 -0.36 0.00 0.00 55.97 56.43 1x1g s LYS 26 Cb -0.21 -3.44 -0.01 0.00 -1.51 0.00 0.00 37.83 32.67 1x1g s LYS 26 CO -0.02 0.08 0.48 -1.14 -0.36 0.00 0.00 175.35 174.39 1x1g s GLN 27 N 0.70 3.61 0.00 4.03 -0.44 -1.09 -3.00 119.66 123.47 1x1g s GLN 27 Ca 0.40 -0.21 0.00 0.00 -2.50 0.00 0.00 55.36 53.05 1x1g s GLN 27 Cb -0.19 -3.81 0.00 0.00 -1.64 0.00 0.00 33.01 27.38 1x1g s GLN 27 CO 0.20 -0.62 0.00 0.41 0.50 0.00 0.00 175.29 175.78 1x1g n GLY 28 N 4.82 3.67 3.12 2.59 0.00 -1.21 -4.72 105.19 113.45 1x1g n GLY 28 Ca -0.06 -1.78 -0.23 0.00 0.00 0.00 0.00 46.02 43.95 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 3.17 1.33 0.39 1.61 2.46 -1.26 -4.87 115.29 118.12 1x1g s HIS 29 Ca 0.00 -0.26 0.00 0.00 0.47 0.00 0.00 55.06 55.27 1x1g s HIS 29 Cb 0.00 -0.86 0.00 0.00 -0.13 0.00 0.00 32.58 31.59 1x1g s HIS 29 CO 0.00 -0.03 0.00 1.63 -2.47 0.00 0.00 174.74 173.87 1x1g n LYS 30 N 2.73 -2.97 0.00 2.88 5.02 -1.26 -4.68 118.16 119.88 1x1g n LYS 30 Ca -0.14 2.07 0.00 0.00 -2.02 0.00 0.00 58.31 58.21 1x1g n LYS 30 Cb 0.55 -3.60 0.00 0.00 -0.02 0.00 0.00 35.03 31.96 1x1g n LYS 30 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1x1g n ARG 31 N -4.23 0.00 -3.71 1.97 1.74 -1.26 -4.56 116.66 106.61 1x1g n ARG 31 Ca -0.01 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.93 1x1g n ARG 31 Cb 0.67 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 32.03 1x1g n ARG 31 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1x1g s LYS 32 N 0.00 0.67 0.01 5.56 -0.14 -1.26 -5.06 119.74 119.51 1x1g s LYS 32 Ca 0.00 0.23 -0.25 0.00 -1.36 0.00 0.00 55.97 54.59 1x1g s LYS 32 Cb 0.00 0.31 -0.19 0.00 -1.68 0.00 0.00 37.83 36.27 1x1g s LYS 32 CO 0.00 -0.15 1.38 -2.95 -0.76 0.00 0.00 175.35 172.87 1x1g h ASN 33 N 4.41 0.02 -3.50 2.83 7.08 -1.89 -3.39 115.58 121.14 1x1g h ASN 33 Ca -0.28 -0.37 -0.38 0.00 -3.08 0.00 0.00 56.30 52.19 1x1g h ASN 33 Cb 1.17 -0.01 -0.34 0.00 -2.08 0.00 0.00 38.32 37.07 1x1g h ASN 33 CO 0.32 0.39 -0.76 0.26 -2.08 0.00 0.00 177.43 175.56 1x1g s TRP 34 N -4.70 0.56 -0.10 4.14 0.52 -1.26 -3.36 118.94 114.74 1x1g s TRP 34 Ca -0.15 -0.12 0.00 0.00 0.02 0.00 0.00 56.10 55.85 1x1g s TRP 34 Cb 0.03 -0.54 0.02 0.00 -1.15 0.00 0.00 33.47 31.83 1x1g s TRP 34 CO 0.68 -0.15 -0.08 0.15 0.02 0.00 0.00 176.95 177.57 1x1g s LYS 35 N 0.88 1.42 0.32 4.98 -0.14 -1.16 -4.99 119.74 121.05 1x1g s LYS 35 Ca -0.11 -0.24 -0.29 0.00 -1.36 0.00 0.00 55.97 53.97 1x1g s LYS 35 Cb -0.14 -1.44 -0.11 0.00 -1.68 0.00 0.00 37.83 34.46 1x1g s LYS 35 CO -0.00 -0.20 1.56 0.08 -0.76 0.00 0.00 175.35 176.02 1x1g s VAL 36 N 1.49 2.07 -0.02 3.17 1.01 -1.26 -2.61 120.40 124.25 1x1g s VAL 36 Ca 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 1x1g s VAL 36 Cb -0.13 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.22 1x1g s VAL 36 CO -0.05 0.01 0.20 -0.13 0.00 0.00 0.00 175.10 175.13 1x1g s ARG 37 N -1.01 0.48 -0.66 2.72 0.52 0.54 -4.66 118.95 116.88 1x1g s ARG 37 Ca 0.60 -0.17 -0.27 0.00 -0.52 0.00 0.00 55.73 55.37 1x1g s ARG 37 Cb -0.47 0.21 0.03 0.00 0.52 0.00 0.00 34.95 35.24 1x1g s ARG 37 CO 0.53 -0.11 1.21 0.50 0.02 0.00 0.00 175.30 177.44 1x1g s ARG 38 N -1.00 3.33 -0.15 3.54 3.52 0.04 0.72 118.95 128.95 1x1g s ARG 38 Ca -0.11 -0.07 -0.13 0.00 -0.13 0.00 0.00 55.73 55.30 1x1g s ARG 38 Cb -0.06 -4.11 -0.05 0.00 -1.56 0.00 0.00 34.95 29.18 1x1g s ARG 38 CO 0.02 -1.90 0.26 -0.06 -0.81 0.00 0.00 175.30 172.81 1x1g s PHE 39 N 5.23 3.48 0.02 5.12 0.40 0.77 0.29 117.98 133.29 1x1g s PHE 39 Ca 0.37 0.58 0.07 0.00 -0.60 0.00 0.00 56.93 57.35 1x1g s PHE 39 Cb -0.08 -2.28 -0.03 0.00 0.51 0.00 0.00 43.02 41.14 1x1g s PHE 39 CO 0.19 0.32 -0.20 0.54 0.70 0.00 0.00 175.22 176.77 1x1g s VAL 40 N 0.21 2.59 0.04 -0.44 0.11 0.35 -1.89 120.40 121.37 1x1g s VAL 40 Ca 0.16 -1.14 0.08 0.00 -2.93 0.00 0.00 61.98 58.15 1x1g s VAL 40 Cb -0.13 -2.03 -0.03 0.00 -1.53 0.00 0.00 36.38 32.66 1x1g s VAL 40 CO 0.04 0.43 -0.21 -0.22 -3.33 0.00 0.00 175.10 171.80 1x1g s LEU 41 N -1.14 2.43 0.12 2.54 0.20 0.47 -1.76 118.68 121.54 1x1g s LEU 41 Ca 0.13 -0.48 -0.01 0.00 0.69 0.00 0.00 54.13 54.46 1x1g s LEU 41 Cb -0.10 -1.43 -0.04 0.00 -0.43 0.00 0.00 46.19 44.19 1x1g s LEU 41 CO 0.03 0.26 0.04 -0.13 -0.29 0.00 0.00 176.35 176.26 1x1g s ARG 42 N -1.33 0.89 -0.01 1.98 0.52 -0.58 -1.91 118.95 118.51 1x1g s ARG 42 Ca 0.13 -1.41 -0.02 0.00 -0.52 0.00 0.00 55.73 53.92 1x1g s ARG 42 Cb -0.10 0.21 -0.00 0.00 0.52 0.00 0.00 34.95 35.58 1x1g s ARG 42 CO 0.04 -0.23 0.04 -1.59 0.02 0.00 0.00 175.30 173.58 1x1g s LYS 43 N -4.02 0.15 -0.47 3.54 -2.85 0.15 -3.13 119.74 113.11 1x1g s LYS 43 Ca 0.21 -0.13 -0.33 0.00 -1.00 0.00 0.00 55.97 54.72 1x1g s LYS 43 Cb 0.07 0.06 0.05 0.00 -2.06 0.00 0.00 37.83 35.96 1x1g s LYS 43 CO 0.00 -0.03 0.65 -3.47 0.10 0.00 0.00 175.35 172.61 1x1g n ASP 44 N 2.58 -5.86 -4.79 0.03 2.03 -1.26 -0.46 116.55 108.82 1x1g n ASP 44 Ca -0.16 -0.10 -0.29 0.00 0.52 0.00 0.00 54.79 54.77 1x1g n ASP 44 Cb 0.58 -2.26 0.13 0.00 -0.72 0.00 0.00 41.12 38.85 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 -2.62 1.18 -0.44 -0.67 0.04 -1.26 -3.88 135.00 127.35 1x1g s PRO 45 Ca 0.34 0.31 -0.17 0.00 0.04 0.00 0.00 61.00 61.52 1x1g s PRO 45 Cb -0.04 -1.84 0.04 0.00 0.04 0.00 0.00 34.50 32.69 1x1g s PRO 45 CO 0.86 -2.17 0.42 0.00 0.04 0.00 0.00 177.00 176.14 1x1g s ALA 46 N -3.27 3.46 0.21 8.56 0.00 -1.26 -4.62 121.76 124.84 1x1g s ALA 46 Ca 0.64 -1.71 -0.11 0.00 0.00 0.00 0.00 51.96 50.77 1x1g s ALA 46 Cb -0.15 -3.05 -0.00 0.00 0.00 0.00 0.00 23.12 19.91 1x1g s ALA 46 CO 0.53 -1.64 0.40 -0.06 0.00 0.00 0.00 175.76 174.99 1x1g s PHE 47 N 1.98 0.38 -0.20 0.00 0.40 -1.18 -3.54 117.98 115.81 1x1g s PHE 47 Ca 0.09 -0.73 -0.04 0.00 -0.60 0.00 0.00 56.93 55.65 1x1g s PHE 47 Cb -0.19 0.08 0.10 0.00 0.51 0.00 0.00 43.02 43.52 1x1g s PHE 47 CO 0.11 -0.87 0.32 -1.17 0.70 0.00 0.00 175.22 174.31 1x1g s LEU 48 N -3.00 -0.43 0.26 -0.37 2.96 -1.23 -1.52 118.68 115.36 1x1g s LEU 48 Ca 0.21 0.31 0.11 0.00 -0.22 0.00 0.00 54.13 54.54 1x1g s LEU 48 Cb 0.01 0.88 -0.05 0.00 0.50 0.00 0.00 46.19 47.53 1x1g s LEU 48 CO 0.05 -0.28 -0.19 -1.00 -1.32 0.00 0.00 176.35 173.60 1x1g s HIS 49 N 2.47 2.20 -0.02 5.38 3.76 -0.72 -2.36 115.29 126.00 1x1g s HIS 49 Ca 0.07 -0.37 -0.04 0.00 -0.15 0.00 0.00 55.06 54.57 1x1g s HIS 49 Cb -0.14 -0.97 0.00 0.00 1.11 0.00 0.00 32.58 32.58 1x1g s HIS 49 CO -0.13 0.65 0.09 1.52 -0.85 0.00 0.00 174.74 176.02 1x1g s TYR 50 N -2.52 -0.04 0.22 1.40 -0.85 -1.26 0.13 117.35 114.43 1x1g s TYR 50 Ca 0.28 0.11 0.11 0.00 -0.52 0.00 0.00 57.07 57.05 1x1g s TYR 50 Cb -0.05 -0.00 -0.05 0.00 0.38 0.00 0.00 41.96 42.25 1x1g s TYR 50 CO 0.13 -0.11 -0.17 0.71 -1.52 0.00 0.00 175.55 174.59 1x1g s TYR 51 N -0.36 2.42 -0.19 -3.49 1.51 0.15 -0.21 117.35 117.17 1x1g s TYR 51 Ca -0.04 -0.31 -0.24 0.00 -1.01 0.00 0.00 57.07 55.47 1x1g s TYR 51 Cb -0.03 -1.14 -0.02 0.00 -0.11 0.00 0.00 41.96 40.66 1x1g s TYR 51 CO 0.00 0.57 0.78 0.34 -1.11 0.00 0.00 175.55 176.13 1x1g s ASP 52 N -3.01 6.87 0.00 2.29 -1.08 -1.26 -0.78 116.67 119.69 1x1g s ASP 52 Ca 0.25 1.07 0.23 0.00 -0.52 0.00 0.00 52.55 53.58 1x1g s ASP 52 Cb -0.07 -2.42 1.39 0.00 -1.46 0.00 0.00 42.92 40.35 1x1g s ASP 52 CO 0.13 -0.39 1.77 -0.81 0.52 0.00 0.00 175.17 176.39 1x1g n PRO 53 N 5.31 0.75 -0.11 4.34 -0.04 -1.26 -3.29 135.00 140.70 1x1g n PRO 53 Ca 0.03 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.26 1x1g n PRO 53 Cb 0.49 -1.48 -0.08 0.00 -0.04 0.00 0.00 33.50 32.39 1x1g n PRO 53 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x1g n SER 54 N -0.98 1.63 -3.59 3.54 7.64 -1.26 -5.01 113.62 115.58 1x1g n SER 54 Ca 0.17 0.28 -0.30 0.00 1.01 0.00 0.00 58.87 60.03 1x1g n SER 54 Cb 0.08 -0.67 0.26 0.00 -1.01 0.00 0.00 64.21 62.86 1x1g n SER 54 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1x1g s LYS 55 N -2.46 -1.72 -0.28 1.43 -0.14 -1.21 -5.06 119.74 110.31 1x1g s LYS 55 Ca -0.31 -0.17 -0.00 0.00 -1.36 0.00 0.00 55.97 54.13 1x1g s LYS 55 Cb 0.11 -1.55 0.14 0.00 -1.68 0.00 0.00 37.83 34.85 1x1g s LYS 55 CO 0.40 -4.02 0.32 -1.21 -0.76 0.00 0.00 175.35 170.08 1x1g s GLU 56 N -5.47 0.33 0.06 1.68 2.02 -1.26 -4.88 118.70 111.18 1x1g s GLU 56 Ca 0.72 0.02 -0.18 0.00 0.02 0.00 0.00 54.97 55.55 1x1g s GLU 56 Cb -0.08 -0.61 0.04 0.00 0.10 0.00 0.00 34.13 33.58 1x1g s GLU 56 CO 0.56 -0.96 0.42 -2.00 0.02 0.00 0.00 175.26 173.30 1x1g s GLU 57 N 2.42 0.95 -1.37 1.61 2.12 -1.26 -5.06 118.70 118.11 1x1g s GLU 57 Ca 0.10 -0.41 -0.09 0.00 0.36 0.00 0.00 54.97 54.92 1x1g s GLU 57 Cb -0.14 0.42 0.10 0.00 0.26 0.00 0.00 34.13 34.77 1x1g s GLU 57 CO -0.29 -0.34 2.22 0.09 -0.54 0.00 0.00 175.26 176.40 1x1g n ASN 58 N 0.38 6.13 0.00 -1.70 3.02 -1.26 -4.83 115.26 117.00 1x1g n ASN 58 Ca -0.18 -3.00 0.00 0.00 -0.03 0.00 0.00 54.58 51.37 1x1g n ASN 58 Cb 0.60 -1.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 1x1g n ASN 58 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1x1g n ARG 59 N 3.65 0.00 -1.54 3.52 1.74 -1.26 -5.15 116.66 117.62 1x1g n ARG 59 Ca 0.53 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 57.32 1x1g n ARG 59 Cb 0.32 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 31.87 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 -2.00 1.59 0.04 5.56 0.04 -1.26 -4.88 135.00 134.09 1x1g s PRO 60 Ca 0.00 0.46 0.08 0.00 0.04 0.00 0.00 61.00 61.57 1x1g s PRO 60 Cb 0.00 -1.88 -0.23 0.00 0.04 0.00 0.00 34.50 32.44 1x1g s PRO 60 CO 0.00 -1.93 0.99 0.28 0.04 0.00 0.00 177.00 176.38 1x1g h VAL 61 N -1.31 1.31 0.00 -0.36 2.07 -0.94 -3.48 116.25 113.54 1x1g h VAL 61 Ca -0.49 -3.07 0.00 0.00 0.82 0.00 0.00 66.70 63.97 1x1g h VAL 61 Cb 1.30 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.75 1x1g h VAL 61 CO 0.61 0.77 0.00 0.61 0.02 0.00 0.00 177.57 179.58 1x1g n GLY 62 N 1.47 2.39 0.00 2.17 0.00 -1.22 -5.06 105.19 104.94 1x1g n GLY 62 Ca -0.09 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 1.80 3.34 -0.02 0.00 -1.26 -4.62 105.19 104.43 1x1g n GLY 63 Ca 0.00 -1.37 -0.27 0.00 0.00 0.00 0.00 46.02 44.38 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 2.09 0.09 1.61 -0.71 -0.99 -4.96 117.98 115.10 1x1g s PHE 64 Ca 0.00 -0.40 -0.30 0.00 -1.04 0.00 0.00 56.93 55.19 1x1g s PHE 64 Cb 0.00 -1.14 -0.06 0.00 -1.21 0.00 0.00 43.02 40.61 1x1g s PHE 64 CO 0.00 0.27 1.17 -1.54 -1.34 0.00 0.00 175.22 173.78 1x1g s SER 65 N -1.93 7.12 0.05 1.98 1.04 -1.26 -3.48 113.70 117.22 1x1g s SER 65 Ca 0.11 2.03 -0.19 0.00 0.48 0.00 0.00 55.95 58.39 1x1g s SER 65 Cb -0.10 -2.58 -0.14 0.00 0.10 0.00 0.00 66.02 63.29 1x1g s SER 65 CO 0.05 -0.41 1.31 -0.07 0.98 0.00 0.00 173.24 175.10 1x1g h LEU 66 N 6.39 0.53 -8.01 2.42 3.38 -1.92 -3.42 115.31 114.67 1x1g h LEU 66 Ca -0.42 -0.54 -0.44 0.00 0.09 0.00 0.00 57.88 56.57 1x1g h LEU 66 Cb 1.21 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.71 1x1g h LEU 66 CO 0.79 0.97 1.86 0.54 0.09 0.00 0.00 178.44 182.69 1x1g n ARG 67 N -4.39 0.01 -0.46 1.13 5.12 -1.26 0.18 116.66 116.99 1x1g n ARG 67 Ca -0.06 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 1x1g n ARG 67 Cb 0.46 -1.33 0.00 0.00 -1.16 0.00 0.00 32.46 30.43 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 6.10 1.11 3.41 -0.13 0.00 -1.26 -4.97 105.19 109.45 1x1g n GLY 68 Ca 0.66 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 46.25 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 0.30 2.76 -3.56 1.61 7.64 0.48 -1.66 113.62 121.19 1x1g n SER 69 Ca 0.00 -3.12 -0.13 0.00 1.01 0.00 0.00 58.87 56.63 1x1g n SER 69 Cb 0.10 0.52 -0.04 0.00 -1.01 0.00 0.00 64.21 63.77 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 -0.02 -3.43 1.98 0.22 -4.90 118.68 112.50 1x1g s LEU 70 Ca 0.05 0.01 -0.03 0.00 -2.89 0.00 0.00 54.13 51.27 1x1g s LEU 70 Cb 0.00 2.13 0.00 0.00 0.66 0.00 0.00 46.19 48.99 1x1g s LEU 70 CO 0.04 -0.80 0.07 0.54 -1.89 0.00 0.00 176.35 174.31 1x1g s VAL 71 N -3.05 0.02 0.15 1.68 0.11 -1.26 0.19 120.40 118.23 1x1g s VAL 71 Ca -0.02 -0.13 -0.10 0.00 -2.93 0.00 0.00 61.98 58.80 1x1g s VAL 71 Cb -0.00 -0.15 0.00 0.00 -1.53 0.00 0.00 36.38 34.70 1x1g s VAL 71 CO -0.07 -0.07 0.30 -0.44 -3.33 0.00 0.00 175.10 171.49 1x1g s SER 72 N -0.19 0.01 0.21 3.54 0.01 0.20 -4.94 113.70 112.54 1x1g s SER 72 Ca -0.02 -0.73 -0.02 0.00 1.31 0.00 0.00 55.95 56.48 1x1g s SER 72 Cb -0.02 0.43 -0.05 0.00 0.21 0.00 0.00 66.02 66.60 1x1g s SER 72 CO 0.00 -0.87 0.42 0.00 0.41 0.00 0.00 173.24 173.20 1x1g s ALA 73 N -3.92 3.79 0.55 1.44 0.00 -1.26 0.48 121.76 122.84 1x1g s ALA 73 Ca 0.12 -0.74 0.05 0.00 0.00 0.00 0.00 51.96 51.40 1x1g s ALA 73 Cb 0.03 -2.07 0.06 0.00 0.00 0.00 0.00 23.12 21.14 1x1g s ALA 73 CO -0.04 0.44 0.77 -0.51 0.00 0.00 0.00 175.76 176.42 1x1g s LEU 74 N -3.25 3.27 0.33 0.00 1.43 -0.36 -4.85 118.68 115.25 1x1g s LEU 74 Ca 0.40 -0.46 -0.28 0.00 -1.03 0.00 0.00 54.13 52.75 1x1g s LEU 74 Cb -0.11 -2.24 -0.10 0.00 0.03 0.00 0.00 46.19 43.77 1x1g s LEU 74 CO 0.28 -1.24 1.20 -1.61 0.23 0.00 0.00 176.35 175.22 1x1g s GLU 75 N -4.69 4.40 -0.80 1.70 2.02 -1.26 -4.70 118.70 115.37 1x1g s GLU 75 Ca 0.60 1.99 -0.05 0.00 0.02 0.00 0.00 54.97 57.54 1x1g s GLU 75 Cb -0.08 -3.03 0.20 0.00 0.10 0.00 0.00 34.13 31.32 1x1g s GLU 75 CO 0.38 -0.07 0.67 0.34 0.02 0.00 0.00 175.26 176.61 1x1g s ASP 76 N -0.76 5.92 0.00 -0.19 2.15 -1.26 -4.18 116.67 118.35 1x1g s ASP 76 Ca 0.49 -3.24 0.00 0.00 0.43 0.00 0.00 52.55 50.23 1x1g s ASP 76 Cb -0.35 -1.96 0.00 0.00 -0.30 0.00 0.00 42.92 40.31 1x1g s ASP 76 CO 0.46 -0.32 0.00 -3.20 -0.17 0.00 0.00 175.17 171.94 1x1g n ASN 77 N 3.03 0.00 -3.00 -0.34 2.85 -1.26 -4.99 115.26 111.55 1x1g n ASN 77 Ca 0.15 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.62 1x1g n ASN 77 Cb 0.39 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.40 1x1g n ASN 77 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x1g n GLY 78 N 0.00 -1.57 1.61 8.20 0.00 -1.26 -4.74 105.19 107.43 1x1g n GLY 78 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1x1g n GLY 78 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1x1g n VAL 79 N 1.48 -5.36 0.00 1.61 3.14 -1.19 -4.94 118.33 113.07 1x1g n VAL 79 Ca -0.05 2.42 0.00 0.00 -2.96 0.00 0.00 64.34 63.75 1x1g n VAL 79 Cb 0.30 -3.33 0.00 0.00 -1.06 0.00 0.00 33.84 29.75 1x1g n VAL 79 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1x1g n PRO 80 N -0.80 0.00 0.00 1.45 -0.04 -1.26 -4.85 135.00 129.50 1x1g n PRO 80 Ca 0.00 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1x1g n PRO 80 Cb 0.00 -0.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 1x1g n PRO 80 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1x1g n THR 81 N -0.56 0.00 -0.76 0.52 -2.24 -1.26 -4.71 114.28 105.27 1x1g n THR 81 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 1x1g n THR 81 Cb 0.00 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.26 1x1g n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x1g n GLY 82 N 4.13 3.79 3.46 3.38 0.00 -1.26 -4.84 105.19 113.85 1x1g n GLY 82 Ca 0.00 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.88 4.28 0.18 1.61 1.01 -1.26 -4.99 120.40 119.35 1x1g s VAL 83 Ca 0.26 -0.33 -0.31 0.00 0.00 0.00 0.00 61.98 61.60 1x1g s VAL 83 Cb 0.20 -4.71 -0.16 0.00 0.00 0.00 0.00 36.38 31.71 1x1g s VAL 83 CO -0.00 -1.50 0.89 2.29 0.00 0.00 0.00 175.10 176.78 1x1g n LYS 84 N 7.84 0.63 0.00 2.72 -0.00 -1.26 -4.28 118.16 123.81 1x1g n LYS 84 Ca -0.02 0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.51 1x1g n LYS 84 Cb 0.46 -1.52 0.00 0.00 -0.00 0.00 0.00 35.03 33.97 1x1g n LYS 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x1g n GLY 85 N 1.77 0.49 1.08 2.58 0.00 -1.26 -4.83 105.19 105.03 1x1g n GLY 85 Ca 0.16 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1x1g n GLY 85 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x1g n ASN 86 N 0.00 0.00 -0.85 1.61 4.13 -1.26 -5.00 115.26 113.89 1x1g n ASN 86 Ca 0.00 0.00 0.10 0.00 1.68 0.00 0.00 54.58 56.36 1x1g n ASN 86 Cb 0.00 0.19 -0.03 0.00 -1.54 0.00 0.00 39.78 38.40 1x1g n ASN 86 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1x1g n VAL 87 N -2.04 0.00 -0.16 2.41 3.14 -1.26 -3.15 118.33 117.27 1x1g n VAL 87 Ca 0.00 0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.50 1x1g n VAL 87 Cb 0.00 -0.37 0.00 0.00 -1.06 0.00 0.00 33.84 32.41 1x1g n VAL 87 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1x1g n GLN 88 N -2.77 0.73 -2.58 1.45 6.02 -1.26 -4.48 117.38 114.50 1x1g n GLN 88 Ca -0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.84 1x1g n GLN 88 Cb 0.59 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.87 1x1g n GLN 88 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1x1g n GLY 89 N 4.07 3.26 2.46 1.08 0.00 -1.26 -4.23 105.19 110.56 1x1g n GLY 89 Ca 0.00 -1.80 -0.03 0.00 0.00 0.00 0.00 46.02 44.19 1x1g n GLY 89 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x1g n ASN 90 N -0.31 -1.06 -3.37 1.61 6.94 -1.26 -4.32 115.26 113.48 1x1g n ASN 90 Ca 0.20 -1.68 -0.11 0.00 -0.02 0.00 0.00 54.58 52.97 1x1g n ASN 90 Cb 0.78 0.81 0.01 0.00 -2.36 0.00 0.00 39.78 39.02 1x1g n ASN 90 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1x1g n LEU 91 N -0.51 0.00 -4.10 -4.53 4.32 -1.26 -4.81 117.00 106.10 1x1g n LEU 91 Ca -0.19 -1.30 -0.14 0.00 -0.02 0.00 0.00 56.01 54.36 1x1g n LEU 91 Cb 0.66 -0.09 -0.05 0.00 -1.62 0.00 0.00 43.42 42.33 1x1g n LEU 91 CO -0.09 -0.48 0.10 0.72 -1.22 0.00 0.00 177.39 176.42 1x1g s PHE 92 N -1.07 1.06 0.13 -1.77 -0.12 -1.16 -1.22 117.98 113.82 1x1g s PHE 92 Ca 0.20 -1.27 -0.04 0.00 -0.05 0.00 0.00 56.93 55.76 1x1g s PHE 92 Cb -0.02 -0.13 -0.03 0.00 -0.63 0.00 0.00 43.02 42.22 1x1g s PHE 92 CO 0.13 -1.08 0.13 -1.59 -0.05 0.00 0.00 175.22 172.76 1x1g s LYS 93 N -3.23 0.95 -0.18 1.99 0.00 0.18 -1.48 119.74 117.97 1x1g s LYS 93 Ca 0.31 -1.27 0.01 0.00 0.00 0.00 0.00 55.97 55.02 1x1g s LYS 93 Cb 0.00 0.29 0.03 0.00 0.00 0.00 0.00 37.83 38.15 1x1g s LYS 93 CO 0.19 -0.29 -0.16 0.08 0.00 0.00 0.00 175.35 175.17 1x1g s VAL 94 N -3.98 1.86 -0.53 1.79 1.01 0.15 -0.63 120.40 120.08 1x1g s VAL 94 Ca 0.17 -0.93 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 1x1g s VAL 94 Cb 0.06 -1.76 0.12 0.00 0.00 0.00 0.00 36.38 34.79 1x1g s VAL 94 CO -0.02 0.40 0.48 -0.63 0.00 0.00 0.00 175.10 175.33 1x1g s ILE 95 N 1.35 5.21 0.00 2.22 1.01 0.50 0.13 121.20 131.62 1x1g s ILE 95 Ca 0.03 -1.40 0.00 0.00 0.00 0.00 0.00 60.65 59.28 1x1g s ILE 95 Cb -0.14 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.03 1x1g s ILE 95 CO -0.11 -0.81 0.00 0.35 0.00 0.00 0.00 174.94 174.37 1x1g n THR 96 N 5.24 0.00 0.74 2.92 -2.24 -1.26 0.70 114.28 120.38 1x1g n THR 96 Ca -0.14 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.75 1x1g n THR 96 Cb 0.41 -1.35 0.45 0.00 -2.10 0.00 0.00 70.33 67.74 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 -1.15 0.01 -0.53 -0.78 2.85 -0.67 -1.83 118.16 116.07 1x1g n LYS 97 Ca 0.00 0.14 0.10 0.00 -1.05 0.00 0.00 58.31 57.49 1x1g n LYS 97 Cb 0.00 -1.50 0.33 0.00 -0.65 0.00 0.00 35.03 33.21 1x1g n LYS 97 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1x1g n ASP 98 N -1.49 4.44 -4.35 -5.58 -0.08 -1.26 -4.93 116.55 103.30 1x1g n ASP 98 Ca 0.05 -2.36 -0.37 0.00 -1.51 0.00 0.00 54.79 50.60 1x1g n ASP 98 Cb 0.24 -0.53 -0.06 0.00 2.34 0.00 0.00 41.12 43.11 1x1g n ASP 98 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1x1g n ASP 99 N 1.09 -1.54 0.01 1.67 8.00 -0.76 -4.83 116.55 120.20 1x1g n ASP 99 Ca 0.24 -1.16 -0.12 0.00 0.71 0.00 0.00 54.79 54.46 1x1g n ASP 99 Cb 0.81 -2.08 -0.09 0.00 -0.02 0.00 0.00 41.12 39.73 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 -1.34 1.14 -3.04 -3.53 2.02 -1.85 -3.47 112.91 102.84 1x1g h THR 100 Ca -0.61 -1.36 0.00 0.00 0.77 0.00 0.00 66.41 65.21 1x1g h THR 100 Cb 1.39 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.74 1x1g h THR 100 CO 0.80 0.31 -0.01 1.41 0.37 0.00 0.00 175.52 178.39 1x1g n HIS 101 N -4.84 -0.06 -3.05 3.16 8.25 -1.05 -4.98 115.22 112.65 1x1g n HIS 101 Ca -0.08 0.02 -0.42 0.00 -0.26 0.00 0.00 57.72 56.98 1x1g n HIS 101 Cb 0.29 -1.54 -0.06 0.00 1.12 0.00 0.00 29.99 29.80 1x1g n HIS 101 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1x1g s TYR 102 N -0.66 3.09 -0.25 4.41 2.02 0.35 -4.74 117.35 121.57 1x1g s TYR 102 Ca 0.00 0.25 -0.29 0.00 -0.37 0.00 0.00 57.07 56.66 1x1g s TYR 102 Cb -0.00 -3.36 0.01 0.00 -0.40 0.00 0.00 41.96 38.21 1x1g s TYR 102 CO 0.01 -0.79 1.09 0.71 -1.57 0.00 0.00 175.55 175.01 1x1g s TYR 103 N 2.94 3.19 0.25 2.71 1.51 -1.26 0.34 117.35 127.02 1x1g s TYR 103 Ca 0.27 1.30 0.08 0.00 -1.01 0.00 0.00 57.07 57.70 1x1g s TYR 103 Cb -0.14 -3.45 -0.05 0.00 -0.11 0.00 0.00 41.96 38.22 1x1g s TYR 103 CO 0.18 -0.79 -0.11 0.42 -1.11 0.00 0.00 175.55 174.14 1x1g s ILE 104 N 3.42 1.80 0.20 2.71 1.01 -0.55 -2.68 121.20 127.12 1x1g s ILE 104 Ca 0.47 -2.20 0.11 0.00 0.00 0.00 0.00 60.65 59.03 1x1g s ILE 104 Cb -0.15 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 1x1g s ILE 104 CO 0.11 -0.43 -0.23 -1.58 0.00 0.00 0.00 174.94 172.80 1x1g s GLN 105 N -3.66 1.53 0.17 2.79 0.74 -1.06 -2.97 119.66 117.19 1x1g s GLN 105 Ca 0.27 -1.56 0.07 0.00 0.05 0.00 0.00 55.36 54.19 1x1g s GLN 105 Cb 0.01 -1.82 -0.04 0.00 1.10 0.00 0.00 33.01 32.26 1x1g s GLN 105 CO 0.10 0.39 -0.02 0.00 -0.55 0.00 0.00 175.29 175.21 1x1g s ALA 106 N -1.80 3.16 0.01 1.58 0.00 -1.26 -3.71 121.76 119.73 1x1g s ALA 106 Ca 0.22 -1.36 -0.25 0.00 0.00 0.00 0.00 51.96 50.57 1x1g s ALA 106 Cb -0.07 -0.97 -0.18 0.00 0.00 0.00 0.00 23.12 21.90 1x1g s ALA 106 CO 0.10 0.50 1.30 1.03 0.00 0.00 0.00 175.76 178.70 1x1g h SER 107 N 2.83 -0.17 -3.86 0.00 0.87 -1.89 -3.47 113.55 107.86 1x1g h SER 107 Ca -0.47 -0.27 -0.40 0.00 -1.23 0.00 0.00 61.79 59.41 1x1g h SER 107 Cb 1.20 0.04 -0.14 0.00 -0.44 0.00 0.00 62.40 63.06 1x1g h SER 107 CO 0.57 0.20 -0.63 -0.55 -0.53 0.00 0.00 176.83 175.90 1x1g s SER 108 N -5.34 1.81 0.16 6.23 0.15 -1.26 -5.01 113.70 110.45 1x1g s SER 108 Ca -0.15 -1.32 -0.25 0.00 0.70 0.00 0.00 55.95 54.93 1x1g s SER 108 Cb 0.02 0.03 0.03 0.00 -1.71 0.00 0.00 66.02 64.39 1x1g s SER 108 CO 0.61 -0.61 1.59 0.50 1.20 0.00 0.00 173.24 176.52 1x1g h LYS 109 N 2.32 -0.28 0.11 5.44 3.64 -1.95 0.39 116.57 126.25 1x1g h LYS 109 Ca -0.39 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.03 1x1g h LYS 109 Cb 1.24 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 33.08 1x1g h LYS 109 CO 0.65 -0.19 -0.29 0.00 -2.27 0.00 0.00 179.45 177.35 1x1g h ALA 110 N 0.59 -0.48 -1.14 5.00 0.00 -2.00 -0.55 119.26 120.69 1x1g h ALA 110 Ca 0.16 -0.04 0.38 0.00 0.00 0.00 0.00 54.91 55.40 1x1g h ALA 110 Cb 0.56 0.47 -0.14 0.00 0.00 0.00 0.00 17.79 18.69 1x1g h ALA 110 CO -0.55 -0.82 0.69 1.49 0.00 0.00 0.00 179.25 180.06 1x1g h GLU 111 N -0.50 0.18 0.00 0.00 4.57 -1.59 0.22 114.58 117.46 1x1g h GLU 111 Ca 0.03 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1x1g h GLU 111 Cb 0.53 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1x1g h GLU 111 CO -0.17 0.12 0.00 -2.13 -1.18 0.00 0.00 179.01 175.65 1x1g n ARG 112 N -4.88 0.00 -0.21 1.92 0.00 -0.00 -0.03 116.66 113.46 1x1g n ARG 112 Ca 0.34 0.43 0.00 0.00 -0.00 0.00 0.00 57.85 58.63 1x1g n ARG 112 Cb 1.20 -1.35 0.09 0.00 0.00 0.00 0.00 32.46 32.40 1x1g n ARG 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x1g h ALA 113 N -1.88 0.53 -0.07 5.13 0.00 -1.17 0.29 119.26 122.10 1x1g h ALA 113 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1x1g h ALA 113 Cb 0.00 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1x1g h ALA 113 CO 0.00 -0.41 -0.14 0.93 0.00 0.00 0.00 179.25 179.62 1x1g h GLU 114 N 0.06 -0.12 -0.75 0.00 5.08 -0.51 1.87 114.58 120.20 1x1g h GLU 114 Ca 0.32 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.85 1x1g h GLU 114 Cb 0.51 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.67 1x1g h GLU 114 CO -0.58 -0.08 0.19 -1.49 -1.00 0.00 0.00 179.01 176.05 1x1g h TRP 115 N -0.13 0.31 0.00 4.33 4.06 0.22 0.73 115.95 125.47 1x1g h TRP 115 Ca 0.01 0.04 0.00 0.00 2.06 0.00 0.00 58.89 61.01 1x1g h TRP 115 Cb 0.17 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.31 1x1g h TRP 115 CO -0.55 -0.08 0.00 -0.89 -3.56 0.00 0.00 178.44 173.36 1x1g n ILE 116 N -5.14 0.00 -0.32 1.49 5.41 0.97 -1.32 119.36 120.45 1x1g n ILE 116 Ca 0.15 1.08 0.15 0.00 1.00 0.00 0.00 62.75 65.13 1x1g n ILE 116 Cb 0.47 -2.02 0.29 0.00 -0.71 0.00 0.00 39.64 37.67 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 -0.81 -0.07 -0.11 0.38 0.00 0.62 0.13 120.64 120.78 1x1g n GLU 117 Ca 0.00 1.36 -0.07 0.00 0.00 0.00 0.00 57.16 58.45 1x1g n GLU 117 Cb 0.00 -2.19 -0.01 0.00 0.00 0.00 0.00 31.44 29.24 1x1g n GLU 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x1g h ALA 118 N 1.83 -0.17 0.03 4.31 0.00 0.62 0.97 119.26 126.86 1x1g h ALA 118 Ca 0.58 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.62 1x1g h ALA 118 Cb 1.23 0.68 -0.04 0.00 0.00 0.00 0.00 17.79 19.66 1x1g h ALA 118 CO -0.85 -0.72 -0.28 0.82 0.00 0.00 0.00 179.25 178.22 1x1g h ILE 119 N -0.25 0.37 -0.33 0.00 2.04 0.24 -1.83 117.51 117.75 1x1g h ILE 119 Ca 0.17 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.10 1x1g h ILE 119 Cb 0.53 0.37 -0.07 0.00 -0.74 0.00 0.00 36.82 36.91 1x1g h ILE 119 CO -0.53 0.00 -0.16 0.11 0.00 0.00 0.00 178.15 177.57 1x1g h LYS 120 N -0.45 -0.11 -0.94 2.37 6.56 -0.32 -1.02 116.57 122.67 1x1g h LYS 120 Ca 0.06 0.01 0.09 0.00 -1.06 0.00 0.00 60.65 59.74 1x1g h LYS 120 Cb 0.52 0.02 -0.11 0.00 -0.57 0.00 0.00 32.23 32.09 1x1g h LYS 120 CO -0.23 -0.07 -0.57 0.87 -2.06 0.00 0.00 179.45 177.39 1x1g h LYS 121 N -0.11 -0.02 -0.06 3.15 1.57 0.17 0.21 116.57 121.48 1x1g h LYS 121 Ca 0.17 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.99 1x1g h LYS 121 Cb 0.37 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.63 1x1g h LYS 121 CO -0.40 -0.01 -0.33 -0.07 -0.57 0.00 0.00 179.45 178.06 1x1g h LEU 122 N -0.02 -1.01 -7.35 2.94 -0.00 -0.72 -3.21 115.31 105.94 1x1g h LEU 122 Ca 0.15 0.14 -0.43 0.00 -0.00 0.00 0.00 57.88 57.74 1x1g h LEU 122 Cb 0.41 0.41 0.02 0.00 -0.00 0.00 0.00 40.66 41.51 1x1g h LEU 122 CO -0.90 -0.38 1.37 0.35 -0.00 0.00 0.00 178.44 178.89 1x1g n THR 123 N -5.41 1.33 0.01 0.22 -2.24 0.73 -2.78 114.28 106.13 1x1g n THR 123 Ca -0.04 -1.28 0.00 0.00 -2.27 0.00 0.00 64.05 60.46 1x1g n THR 123 Cb 0.33 -2.17 0.00 0.00 -2.10 0.00 0.00 70.33 66.39 1x1g n THR 123 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1x1g n SER 124 N 12.12 -0.14 -1.70 3.42 2.88 -1.21 -4.84 113.62 124.14 1x1g n SER 124 Ca 0.46 0.47 -0.00 0.00 -1.33 0.00 0.00 58.87 58.46 1x1g n SER 124 Cb 0.44 0.56 0.00 0.00 -0.75 0.00 0.00 64.21 64.46 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 -1.02 -0.55 0.13 0.46 0.00 -1.12 -5.02 105.19 98.07 1x1g n GLY 125 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 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 0.14 -0.20 -3.09 1.61 0.13 -1.90 -3.48 132.00 125.21 1x1g h PRO 126 Ca 0.00 0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 65.05 1x1g h PRO 126 Cb 0.69 0.05 -0.18 0.00 0.13 0.00 0.00 31.00 31.69 1x1g h PRO 126 CO 0.04 0.15 -0.19 -1.12 -0.23 0.00 0.00 178.00 176.65 1x1g s SER 127 N -5.47 -0.22 -0.17 1.44 0.01 -1.26 -5.03 113.70 103.00 1x1g s SER 127 Ca -0.10 -0.02 -0.01 0.00 1.31 0.00 0.00 55.95 57.13 1x1g s SER 127 Cb 0.00 0.37 0.01 0.00 0.21 0.00 0.00 66.02 66.61 1x1g s SER 127 CO 0.35 -0.59 0.03 -1.20 0.41 0.00 0.00 173.24 172.24 1x1g n SER 128 N 0.76 -6.71 0.00 2.44 7.64 -1.26 -5.09 113.62 111.40 1x1g n SER 128 Ca -0.19 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.74 1x1g n SER 128 Cb 0.58 -3.82 0.00 0.00 -1.01 0.00 0.00 64.21 59.96 1x1g n SER 128 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64