#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 0.00 0.00 1.61 3.41 -1.26 -4.72 113.62 112.67 1x1g n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1x1g n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 3.17 0.00 0.00 4.04 2.88 -1.26 -4.64 113.62 117.82 1x1g n SER 3 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1x1g n SER 3 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 3.18 3.55 0.46 0.00 -1.26 -5.17 105.19 105.95 1x1g n GLY 4 Ca 0.00 -1.30 -0.09 0.00 0.00 0.00 0.00 46.02 44.63 1x1g n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x1g s SER 5 N 0.00 -0.11 0.06 1.61 0.15 -1.26 -5.18 113.70 108.97 1x1g s SER 5 Ca 0.00 -0.84 -0.26 0.00 0.70 0.00 0.00 55.95 55.55 1x1g s SER 5 Cb 0.00 0.57 0.08 0.00 -1.71 0.00 0.00 66.02 64.96 1x1g s SER 5 CO 0.00 -1.10 0.73 -0.55 1.20 0.00 0.00 173.24 173.52 1x1g s SER 6 N -2.98 -0.50 -0.38 5.45 0.15 -1.26 -5.14 113.70 109.04 1x1g s SER 6 Ca 0.19 0.11 0.06 0.00 0.70 0.00 0.00 55.95 57.01 1x1g s SER 6 Cb -0.00 0.50 0.18 0.00 -1.71 0.00 0.00 66.02 64.99 1x1g s SER 6 CO 0.06 -0.77 0.67 -0.83 1.20 0.00 0.00 173.24 173.57 1x1g s GLY 7 N -2.37 -1.29 0.62 9.45 0.00 -1.26 -5.16 107.32 107.32 1x1g s GLY 7 Ca 0.01 0.53 -0.11 0.00 0.00 0.00 0.00 44.72 45.14 1x1g s GLY 7 CO -0.08 3.74 1.03 -0.56 0.00 0.00 0.00 173.10 177.23 1x1g s SER 8 N 2.08 6.13 -0.59 1.64 0.01 -1.26 -5.03 113.70 116.69 1x1g s SER 8 Ca 0.15 1.47 -0.02 0.00 1.31 0.00 0.00 55.95 58.86 1x1g s SER 8 Cb -0.04 -2.48 0.15 0.00 0.21 0.00 0.00 66.02 63.86 1x1g s SER 8 CO -0.12 -0.93 0.39 -0.22 0.41 0.00 0.00 173.24 172.77 1x1g s LEU 9 N -5.13 5.10 -0.68 2.44 2.96 -1.26 -4.83 118.68 117.29 1x1g s LEU 9 Ca 0.56 -2.81 -0.13 0.00 -0.22 0.00 0.00 54.13 51.53 1x1g s LEU 9 Cb -0.11 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.78 1x1g s LEU 9 CO 0.52 -0.36 0.63 -1.20 -1.32 0.00 0.00 176.35 174.62 1x1g n SER 10 N 3.52 -5.48 -0.87 3.68 7.64 -1.26 -4.61 113.62 116.24 1x1g n SER 10 Ca 0.07 -0.56 0.11 0.00 1.01 0.00 0.00 58.87 59.50 1x1g n SER 10 Cb 0.37 -2.19 -0.05 0.00 -1.01 0.00 0.00 64.21 61.34 1x1g n SER 10 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1x1g n THR 11 N -1.67 -0.23 0.00 0.44 -1.04 -1.26 -4.90 114.28 105.61 1x1g n THR 11 Ca -0.20 0.41 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1x1g n THR 11 Cb 0.66 -0.70 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 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 -3.53 0.00 -0.32 12.58 3.14 -1.26 -4.78 118.33 124.17 1x1g n VAL 12 Ca -0.04 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.30 1x1g n VAL 12 Cb 0.41 0.00 0.08 0.00 -1.06 0.00 0.00 33.84 33.27 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 1.17 -0.08 1.45 5.08 -1.96 0.72 114.58 120.96 1x1g h GLU 13 Ca 0.00 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1x1g h GLU 13 Cb 0.00 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.01 1x1g h GLU 13 CO 0.00 0.83 0.00 1.28 -1.00 0.00 0.00 179.01 180.12 1x1g n LEU 14 N -4.41 0.73 -3.54 1.33 4.77 -1.26 -4.14 117.00 110.48 1x1g n LEU 14 Ca 0.09 -0.31 -0.37 0.00 -0.03 0.00 0.00 56.01 55.39 1x1g n LEU 14 Cb 0.07 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1x1g n LEU 14 CO 0.38 0.15 0.98 -0.24 -1.33 0.00 0.00 177.39 177.34 1x1g n SER 15 N -0.29 6.26 -4.32 -1.43 2.88 0.25 -4.99 113.62 111.98 1x1g n SER 15 Ca 0.14 -3.62 -0.17 0.00 -1.33 0.00 0.00 58.87 53.90 1x1g n SER 15 Cb 0.18 -1.01 -0.10 0.00 -0.75 0.00 0.00 64.21 62.52 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 -2.00 1.72 -0.14 0.46 0.00 -1.26 -3.64 107.32 102.47 1x1g s GLY 16 Ca 0.40 -1.86 -0.29 0.00 0.00 0.00 0.00 44.72 42.96 1x1g s GLY 16 CO -0.08 -1.60 1.06 -1.59 0.00 0.00 0.00 173.10 170.89 1x1g s THR 17 N -3.72 4.64 0.11 0.90 2.01 0.48 -4.53 115.64 115.52 1x1g s THR 17 Ca 0.37 1.94 -0.31 0.00 0.31 0.00 0.00 61.69 64.00 1x1g s THR 17 Cb 0.08 -4.25 -0.10 0.00 0.01 0.00 0.00 72.50 68.24 1x1g s THR 17 CO 0.13 -0.06 1.87 -0.69 -0.69 0.00 0.00 174.62 175.18 1x1g s VAL 18 N 2.50 2.60 -0.07 3.82 1.01 -1.26 0.19 120.40 129.19 1x1g s VAL 18 Ca 0.49 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.57 1x1g s VAL 18 Cb -0.18 -3.01 -0.13 0.00 0.00 0.00 0.00 36.38 33.06 1x1g s VAL 18 CO 0.15 -0.00 0.10 1.33 0.00 0.00 0.00 175.10 176.68 1x1g n VAL 19 N 4.91 0.43 -3.64 2.92 0.24 0.46 -4.87 118.33 118.79 1x1g n VAL 19 Ca 0.18 -0.35 -0.14 0.00 -2.04 0.00 0.00 64.34 61.99 1x1g n VAL 19 Cb 0.39 -0.39 -0.07 0.00 -1.47 0.00 0.00 33.84 32.29 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 -2.40 0.81 -0.04 7.34 2.47 -1.13 -5.00 119.74 121.78 1x1g s LYS 20 Ca -0.04 0.87 -0.09 0.00 -1.56 0.00 0.00 55.97 55.14 1x1g s LYS 20 Cb 0.04 0.39 0.02 0.00 -1.46 0.00 0.00 37.83 36.82 1x1g s LYS 20 CO 0.41 -0.11 0.22 -0.65 0.16 0.00 0.00 175.35 175.37 1x1g s GLN 21 N 0.21 0.42 0.00 4.03 -0.21 -1.26 0.19 119.66 123.04 1x1g s GLN 21 Ca -0.01 -0.01 0.00 0.00 0.02 0.00 0.00 55.36 55.36 1x1g s GLN 21 Cb -0.04 0.19 0.00 0.00 1.00 0.00 0.00 33.01 34.15 1x1g s GLN 21 CO 0.02 -0.09 0.00 0.41 -2.12 0.00 0.00 175.29 173.51 1x1g n GLY 22 N 2.13 -1.11 3.25 3.09 0.00 -0.96 -5.02 105.19 106.57 1x1g n GLY 22 Ca -0.18 -1.12 -0.34 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 2.87 0.37 1.61 1.51 -1.26 -1.14 117.35 118.31 1x1g s TYR 23 Ca 0.00 -1.15 0.08 0.00 -1.01 0.00 0.00 57.07 54.99 1x1g s TYR 23 Cb 0.00 -2.00 -0.06 0.00 -0.11 0.00 0.00 41.96 39.79 1x1g s TYR 23 CO 0.00 -0.60 0.04 -0.51 -1.11 0.00 0.00 175.55 173.37 1x1g s LEU 24 N 1.26 2.96 -0.18 -1.29 1.43 0.15 -4.41 118.68 118.60 1x1g s LEU 24 Ca 0.03 -1.12 -0.02 0.00 -1.03 0.00 0.00 54.13 51.99 1x1g s LEU 24 Cb -0.14 -1.23 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 1x1g s LEU 24 CO -0.05 -0.35 -0.09 0.00 0.23 0.00 0.00 176.35 176.09 1x1g s ALA 25 N -2.59 2.72 -0.14 4.21 0.00 -1.17 0.19 121.76 124.98 1x1g s ALA 25 Ca 0.36 -1.03 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 1x1g s ALA 25 Cb 0.03 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 1x1g s ALA 25 CO 0.19 -0.10 -0.05 0.21 0.00 0.00 0.00 175.76 176.02 1x1g s LYS 26 N 0.91 3.51 -0.12 0.00 2.20 -0.61 -0.91 119.74 124.72 1x1g s LYS 26 Ca -0.02 -0.53 -0.27 0.00 -0.36 0.00 0.00 55.97 54.80 1x1g s LYS 26 Cb -0.15 -2.85 -0.02 0.00 -1.51 0.00 0.00 37.83 33.30 1x1g s LYS 26 CO 0.00 0.32 0.89 -1.14 -0.36 0.00 0.00 175.35 175.05 1x1g s GLN 27 N 0.15 4.38 0.00 4.03 0.74 -1.13 -2.90 119.66 124.93 1x1g s GLN 27 Ca -0.02 1.16 0.00 0.00 0.05 0.00 0.00 55.36 56.55 1x1g s GLN 27 Cb -0.14 -3.54 0.00 0.00 1.10 0.00 0.00 33.01 30.43 1x1g s GLN 27 CO 0.03 -0.25 0.00 0.41 -0.55 0.00 0.00 175.29 174.93 1x1g n GLY 28 N 3.24 3.01 0.00 2.59 0.00 -1.26 -4.85 105.19 107.93 1x1g n GLY 28 Ca 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 0.00 -0.52 1.61 -0.00 -1.26 -4.84 115.22 110.22 1x1g n HIS 29 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1x1g n HIS 29 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1x1g n HIS 29 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1x1g n LYS 30 N 0.00 -1.44 -0.34 1.57 4.81 -1.26 -4.96 118.16 116.55 1x1g n LYS 30 Ca 0.00 1.09 -0.20 0.00 -0.87 0.00 0.00 58.31 58.33 1x1g n LYS 30 Cb 0.00 -1.28 0.20 0.00 0.02 0.00 0.00 35.03 33.97 1x1g n LYS 30 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1x1g n ARG 31 N -1.34 -2.84 -0.89 1.64 5.12 -1.26 -4.83 116.66 112.26 1x1g n ARG 31 Ca 0.00 -0.97 0.11 0.00 -1.93 0.00 0.00 57.85 55.06 1x1g n ARG 31 Cb 0.06 -1.52 -0.05 0.00 -1.16 0.00 0.00 32.46 29.79 1x1g n ARG 31 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1x1g n LYS 32 N -3.23 -2.00 0.00 5.56 4.01 -1.26 -4.91 118.16 116.32 1x1g n LYS 32 Ca 0.09 1.57 0.00 0.00 -0.51 0.00 0.00 58.31 59.46 1x1g n LYS 32 Cb 0.40 -2.36 0.00 0.00 -0.51 0.00 0.00 35.03 32.56 1x1g n LYS 32 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1x1g n ASN 33 N -3.55 -0.39 -3.16 4.39 3.02 -1.26 -4.37 115.26 109.95 1x1g n ASN 33 Ca -0.04 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.31 1x1g n ASN 33 Cb 0.42 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.78 1x1g n ASN 33 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1x1g n TRP 34 N -1.36 -3.14 -5.03 3.10 7.02 -1.26 -4.78 117.44 111.98 1x1g n TRP 34 Ca 0.00 -0.51 -0.30 0.00 -1.02 0.00 0.00 57.50 55.66 1x1g n TRP 34 Cb 0.00 -0.84 -0.17 0.00 -2.42 0.00 0.00 31.31 27.88 1x1g n TRP 34 CO 0.00 0.00 0.00 -1.59 -2.02 0.00 0.00 177.69 174.08 1x1g s LYS 35 N -4.29 2.70 -0.29 -0.99 -2.85 -1.14 -4.97 119.74 107.90 1x1g s LYS 35 Ca 0.43 -0.76 -0.29 0.00 -1.00 0.00 0.00 55.97 54.35 1x1g s LYS 35 Cb -0.08 -2.08 0.00 0.00 -2.06 0.00 0.00 37.83 33.62 1x1g s LYS 35 CO 0.36 0.13 1.23 0.08 0.10 0.00 0.00 175.35 177.26 1x1g s VAL 36 N 0.45 4.25 0.10 1.79 1.01 -1.26 -1.57 120.40 125.16 1x1g s VAL 36 Ca -0.17 1.43 0.09 0.00 0.00 0.00 0.00 61.98 63.33 1x1g s VAL 36 Cb -0.17 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 1x1g s VAL 36 CO 0.07 -0.45 -0.24 -0.13 0.00 0.00 0.00 175.10 174.35 1x1g s ARG 37 N 3.97 1.36 -0.62 2.72 0.52 0.50 -4.59 118.95 122.80 1x1g s ARG 37 Ca 0.53 -1.19 -0.26 0.00 -0.52 0.00 0.00 55.73 54.28 1x1g s ARG 37 Cb -0.16 -1.68 0.04 0.00 0.52 0.00 0.00 34.95 33.67 1x1g s ARG 37 CO 0.20 0.40 1.14 0.50 0.02 0.00 0.00 175.30 177.57 1x1g s ARG 38 N -1.77 3.35 -0.08 3.54 3.52 -0.11 0.35 118.95 127.75 1x1g s ARG 38 Ca 0.10 -0.09 -0.11 0.00 -0.13 0.00 0.00 55.73 55.50 1x1g s ARG 38 Cb -0.10 -4.09 -0.05 0.00 -1.56 0.00 0.00 34.95 29.16 1x1g s ARG 38 CO 0.04 -1.77 0.26 -0.06 -0.81 0.00 0.00 175.30 172.96 1x1g s PHE 39 N 4.86 3.64 -0.02 5.12 0.40 -0.30 0.40 117.98 132.08 1x1g s PHE 39 Ca 0.36 0.72 0.06 0.00 -0.60 0.00 0.00 56.93 57.48 1x1g s PHE 39 Cb -0.10 -2.12 -0.01 0.00 0.51 0.00 0.00 43.02 41.30 1x1g s PHE 39 CO 0.20 0.65 -0.20 0.54 0.70 0.00 0.00 175.22 177.10 1x1g s VAL 40 N -0.89 1.60 -0.10 -0.44 0.11 0.23 -2.26 120.40 118.66 1x1g s VAL 40 Ca 0.19 -0.86 0.02 0.00 -2.93 0.00 0.00 61.98 58.40 1x1g s VAL 40 Cb -0.14 -1.34 -0.01 0.00 -1.53 0.00 0.00 36.38 33.36 1x1g s VAL 40 CO 0.08 0.45 -0.16 -0.22 -3.33 0.00 0.00 175.10 171.92 1x1g s LEU 41 N -0.39 2.56 0.25 2.54 0.20 0.51 -2.07 118.68 122.28 1x1g s LEU 41 Ca 0.06 -0.36 0.03 0.00 0.69 0.00 0.00 54.13 54.55 1x1g s LEU 41 Cb -0.09 -1.55 -0.05 0.00 -0.43 0.00 0.00 46.19 44.08 1x1g s LEU 41 CO -0.00 0.21 0.03 -0.13 -0.29 0.00 0.00 176.35 176.17 1x1g s ARG 42 N 0.08 1.39 -0.02 1.98 0.52 -0.88 -0.40 118.95 121.62 1x1g s ARG 42 Ca -0.07 -1.73 -0.03 0.00 -0.52 0.00 0.00 55.73 53.38 1x1g s ARG 42 Cb -0.15 -0.54 0.01 0.00 0.52 0.00 0.00 34.95 34.78 1x1g s ARG 42 CO 0.05 -0.17 0.07 -1.59 0.02 0.00 0.00 175.30 173.69 1x1g s LYS 43 N -3.92 0.13 -0.53 3.54 -2.85 0.49 -3.29 119.74 113.31 1x1g s LYS 43 Ca 0.32 0.03 -0.19 0.00 -1.00 0.00 0.00 55.97 55.13 1x1g s LYS 43 Cb 0.07 0.06 0.03 0.00 -2.06 0.00 0.00 37.83 35.92 1x1g s LYS 43 CO 0.11 -0.02 0.64 -3.47 0.10 0.00 0.00 175.35 172.71 1x1g n ASP 44 N 2.86 -6.78 -4.79 0.03 2.03 -1.26 0.18 116.55 108.82 1x1g n ASP 44 Ca -0.14 0.04 -0.29 0.00 0.52 0.00 0.00 54.79 54.93 1x1g n ASP 44 Cb 0.59 -3.75 0.13 0.00 -0.72 0.00 0.00 41.12 37.38 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 -0.54 -0.67 0.04 -1.24 -3.78 135.00 127.11 1x1g s PRO 45 Ca 0.22 0.32 -0.17 0.00 0.04 0.00 0.00 61.00 61.41 1x1g s PRO 45 Cb -0.04 -1.85 0.12 0.00 0.04 0.00 0.00 34.50 32.77 1x1g s PRO 45 CO 0.82 -2.15 0.53 0.00 0.04 0.00 0.00 177.00 176.24 1x1g s ALA 46 N -3.27 3.59 0.19 8.56 0.00 -1.26 -4.57 121.76 124.99 1x1g s ALA 46 Ca 0.64 -2.43 -0.06 0.00 0.00 0.00 0.00 51.96 50.11 1x1g s ALA 46 Cb -0.15 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 1x1g s ALA 46 CO 0.53 -2.06 0.23 -0.06 0.00 0.00 0.00 175.76 174.41 1x1g s PHE 47 N 1.84 0.72 -0.12 0.00 0.08 -1.21 -3.62 117.98 115.66 1x1g s PHE 47 Ca 0.05 -1.04 -0.04 0.00 0.12 0.00 0.00 56.93 56.03 1x1g s PHE 47 Cb -0.28 -0.24 0.05 0.00 -0.57 0.00 0.00 43.02 41.98 1x1g s PHE 47 CO 0.04 -0.72 0.12 -1.17 -0.10 0.00 0.00 175.22 173.39 1x1g s LEU 48 N -3.05 0.14 0.22 -0.37 2.96 -1.21 -2.07 118.68 115.29 1x1g s LEU 48 Ca 0.26 -0.19 0.11 0.00 -0.22 0.00 0.00 54.13 54.10 1x1g s LEU 48 Cb 0.04 -0.02 -0.05 0.00 0.50 0.00 0.00 46.19 46.67 1x1g s LEU 48 CO 0.06 -0.30 -0.17 -1.00 -1.32 0.00 0.00 176.35 173.62 1x1g s HIS 49 N 2.21 2.43 -0.01 5.38 3.76 -0.88 -2.73 115.29 125.44 1x1g s HIS 49 Ca 0.04 -0.30 -0.01 0.00 -0.15 0.00 0.00 55.06 54.63 1x1g s HIS 49 Cb -0.14 -1.14 0.00 0.00 1.11 0.00 0.00 32.58 32.41 1x1g s HIS 49 CO -0.07 0.58 0.04 1.52 -0.85 0.00 0.00 174.74 175.95 1x1g s TYR 50 N -1.99 -0.02 0.24 1.40 -0.85 -1.26 0.75 117.35 115.62 1x1g s TYR 50 Ca 0.26 0.06 0.09 0.00 -0.52 0.00 0.00 57.07 56.95 1x1g s TYR 50 Cb -0.07 -0.00 -0.04 0.00 0.38 0.00 0.00 41.96 42.23 1x1g s TYR 50 CO 0.14 -0.04 -0.02 0.71 -1.52 0.00 0.00 175.55 174.82 1x1g s TYR 51 N -0.11 2.71 -0.24 -3.49 1.51 0.16 0.45 117.35 118.34 1x1g s TYR 51 Ca -0.01 -0.21 -0.13 0.00 -1.01 0.00 0.00 57.07 55.71 1x1g s TYR 51 Cb -0.01 -1.23 -0.04 0.00 -0.11 0.00 0.00 41.96 40.56 1x1g s TYR 51 CO 0.00 0.59 0.26 0.16 -1.11 0.00 0.00 175.55 175.45 1x1g s ASP 52 N -3.43 6.22 0.03 2.29 1.47 -1.26 -0.94 116.67 121.05 1x1g s ASP 52 Ca 0.30 0.24 -0.18 0.00 1.18 0.00 0.00 52.55 54.09 1x1g s ASP 52 Cb -0.07 -2.16 -0.21 0.00 -0.34 0.00 0.00 42.92 40.14 1x1g s ASP 52 CO 0.19 -0.02 1.16 1.55 0.68 0.00 0.00 175.17 178.73 1x1g h PRO 53 N 7.66 0.50 -1.00 2.11 0.13 -1.97 -3.22 132.00 136.21 1x1g h PRO 53 Ca -0.36 -0.48 0.29 0.00 -0.87 0.00 0.00 66.00 64.57 1x1g h PRO 53 Cb 1.17 0.12 -0.14 0.00 0.13 0.00 0.00 31.00 32.28 1x1g h PRO 53 CO 0.66 1.12 0.58 1.03 -0.23 0.00 0.00 178.00 181.16 1x1g h SER 54 N 0.06 0.58 -3.42 1.44 0.87 -1.93 -3.40 113.55 107.75 1x1g h SER 54 Ca -0.07 0.17 -0.09 0.00 -1.23 0.00 0.00 61.79 60.58 1x1g h SER 54 Cb 1.31 0.09 0.02 0.00 -0.44 0.00 0.00 62.40 63.38 1x1g h SER 54 CO 0.13 -0.03 0.03 0.29 -0.53 0.00 0.00 176.83 176.71 1x1g n LYS 55 N -4.98 0.35 -3.36 2.24 4.76 -1.22 -5.10 118.16 110.84 1x1g n LYS 55 Ca 0.30 -0.49 -0.14 0.00 -2.87 0.00 0.00 58.31 55.11 1x1g n LYS 55 Cb 0.88 -0.15 -0.08 0.00 -1.84 0.00 0.00 35.03 33.84 1x1g n LYS 55 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1x1g s GLU 56 N -3.01 0.35 0.17 1.97 4.04 -1.26 -4.95 118.70 116.01 1x1g s GLU 56 Ca 0.13 0.00 -0.16 0.00 0.04 0.00 0.00 54.97 54.98 1x1g s GLU 56 Cb -0.01 -0.53 0.02 0.00 0.02 0.00 0.00 34.13 33.64 1x1g s GLU 56 CO 0.09 -1.00 0.45 -2.00 -1.84 0.00 0.00 175.26 170.95 1x1g s GLU 57 N 2.44 1.25 -0.21 -4.83 2.12 -1.26 -5.02 118.70 113.19 1x1g s GLU 57 Ca 0.10 -0.87 0.08 0.00 0.36 0.00 0.00 54.97 54.64 1x1g s GLU 57 Cb -0.13 0.48 0.57 0.00 0.26 0.00 0.00 34.13 35.31 1x1g s GLU 57 CO -0.31 -0.51 1.46 0.09 -0.54 0.00 0.00 175.26 175.46 1x1g n ASN 58 N -0.29 4.22 -4.13 -1.70 3.02 -1.26 -4.88 115.26 110.25 1x1g n ASN 58 Ca -0.11 -2.78 -0.14 0.00 -0.03 0.00 0.00 54.58 51.51 1x1g n ASN 58 Cb 0.63 -0.66 -0.11 0.00 -0.61 0.00 0.00 39.78 39.03 1x1g n ASN 58 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1x1g s ARG 59 N -2.29 0.70 0.92 3.52 1.81 -1.26 -5.16 118.95 117.19 1x1g s ARG 59 Ca 0.40 -0.95 -0.13 0.00 -1.72 0.00 0.00 55.73 53.33 1x1g s ARG 59 Cb 0.31 -0.47 0.14 0.00 -0.45 0.00 0.00 34.95 34.48 1x1g s ARG 59 CO 0.11 0.08 1.14 -1.25 -0.68 0.00 0.00 175.30 174.70 1x1g s PRO 60 N -2.12 1.05 0.27 3.54 0.04 -1.26 -4.73 135.00 131.80 1x1g s PRO 60 Ca -0.02 0.26 0.22 0.00 0.04 0.00 0.00 61.00 61.50 1x1g s PRO 60 Cb -0.07 -1.83 0.09 0.00 0.04 0.00 0.00 34.50 32.73 1x1g s PRO 60 CO 0.00 -2.25 1.20 0.28 0.04 0.00 0.00 177.00 176.27 1x1g h VAL 61 N -1.54 0.02 0.00 -0.36 2.07 -0.32 -3.47 116.25 112.65 1x1g h VAL 61 Ca -0.50 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 65.98 1x1g h VAL 61 Cb 1.33 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1x1g h VAL 61 CO 0.60 0.01 0.00 0.61 0.02 0.00 0.00 177.57 178.82 1x1g n GLY 62 N 1.16 1.90 0.00 2.17 0.00 -1.19 -5.06 105.19 104.18 1x1g n GLY 62 Ca 0.01 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 3.62 3.59 -0.02 0.00 -1.26 -4.29 105.19 106.83 1x1g n GLY 63 Ca 0.00 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 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 2.50 0.58 1.61 -0.71 -1.10 -4.99 117.98 115.87 1x1g s PHE 64 Ca 0.00 -0.39 -0.16 0.00 -1.04 0.00 0.00 56.93 55.33 1x1g s PHE 64 Cb 0.00 -1.34 -0.04 0.00 -1.21 0.00 0.00 43.02 40.43 1x1g s PHE 64 CO 0.00 0.56 1.07 -1.54 -1.34 0.00 0.00 175.22 173.96 1x1g s SER 65 N -3.66 5.77 -0.15 1.98 1.04 -1.26 -3.34 113.70 114.08 1x1g s SER 65 Ca 0.33 1.87 -0.01 0.00 0.48 0.00 0.00 55.95 58.62 1x1g s SER 65 Cb -0.02 -2.54 -0.09 0.00 0.10 0.00 0.00 66.02 63.47 1x1g s SER 65 CO 0.18 -1.17 -0.15 0.18 0.98 0.00 0.00 173.24 173.26 1x1g n LEU 66 N -1.89 2.54 -0.32 2.42 4.77 -1.24 -4.30 117.00 118.98 1x1g n LEU 66 Ca 0.09 -0.01 0.31 0.00 -0.03 0.00 0.00 56.01 56.37 1x1g n LEU 66 Cb 0.53 -0.50 0.67 0.00 -2.33 0.00 0.00 43.42 41.79 1x1g n LEU 66 CO 0.46 0.65 1.28 0.08 -1.33 0.00 0.00 177.39 178.53 1x1g h ARG 67 N -0.13 0.12 -1.53 3.23 -0.00 -1.75 0.13 114.38 114.46 1x1g h ARG 67 Ca -0.34 -0.01 -0.61 0.00 -0.00 0.00 0.00 59.98 59.02 1x1g h ARG 67 Cb 1.47 -0.03 -0.40 0.00 -0.00 0.00 0.00 29.97 31.01 1x1g h ARG 67 CO -0.10 0.08 -0.52 0.41 -0.00 0.00 0.00 179.97 179.85 1x1g n GLY 68 N -1.67 5.98 1.62 0.08 0.00 -1.26 -4.63 105.19 105.30 1x1g n GLY 68 Ca 0.25 -2.73 -0.08 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.50 -0.56 -3.96 1.61 7.64 0.47 -1.17 113.62 117.15 1x1g n SER 69 Ca 0.41 -1.97 -0.09 0.00 1.01 0.00 0.00 58.87 58.23 1x1g n SER 69 Cb 0.63 1.10 -0.05 0.00 -1.01 0.00 0.00 64.21 64.88 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 0.26 -0.01 -3.43 0.20 0.52 -4.75 118.68 111.46 1x1g s LEU 70 Ca 0.16 -0.85 -0.11 0.00 0.69 0.00 0.00 54.13 54.01 1x1g s LEU 70 Cb 0.00 1.89 0.01 0.00 -0.43 0.00 0.00 46.19 47.66 1x1g s LEU 70 CO 0.11 -1.15 0.24 0.54 -0.29 0.00 0.00 176.35 175.81 1x1g s VAL 71 N -3.99 0.06 0.23 1.68 0.11 -1.26 -1.27 120.40 115.96 1x1g s VAL 71 Ca 0.20 -0.52 -0.22 0.00 -2.93 0.00 0.00 61.98 58.51 1x1g s VAL 71 Cb -0.01 -0.52 0.04 0.00 -1.53 0.00 0.00 36.38 34.35 1x1g s VAL 71 CO 0.07 -0.28 0.71 -0.44 -3.33 0.00 0.00 175.10 171.83 1x1g s SER 72 N -1.22 -0.34 0.39 3.54 0.01 0.32 -4.92 113.70 111.48 1x1g s SER 72 Ca -0.13 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.71 1x1g s SER 72 Cb -0.06 0.67 -0.02 0.00 0.21 0.00 0.00 66.02 66.82 1x1g s SER 72 CO 0.03 -1.20 0.61 0.00 0.41 0.00 0.00 173.24 173.08 1x1g s ALA 73 N -3.82 3.71 0.00 1.44 0.00 -1.26 0.10 121.76 121.94 1x1g s ALA 73 Ca 0.08 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1x1g s ALA 73 Cb -0.04 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.94 1x1g s ALA 73 CO 0.01 -0.17 0.00 1.28 0.00 0.00 0.00 175.76 176.88 1x1g n LEU 74 N -1.92 0.00 -3.26 0.00 4.77 -1.04 -4.64 117.00 110.90 1x1g n LEU 74 Ca -0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 1x1g n LEU 74 Cb 0.57 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.67 1x1g n LEU 74 CO 0.48 0.00 -0.42 -1.84 -1.33 0.00 0.00 177.39 174.29 1x1g n GLU 75 N -0.55 -1.00 0.00 3.23 0.28 -0.89 -4.94 120.64 116.77 1x1g n GLU 75 Ca 0.00 1.10 0.00 0.00 -0.16 0.00 0.00 57.16 58.10 1x1g n GLU 75 Cb 0.00 -1.63 0.00 0.00 1.43 0.00 0.00 31.44 31.24 1x1g n GLU 75 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1x1g n ASP 76 N 0.76 2.82 0.00 -1.84 5.75 -1.26 -5.08 116.55 117.70 1x1g n ASP 76 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 1x1g n ASP 76 Cb 0.53 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 1x1g n ASP 76 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1x1g n ASN 77 N -2.55 0.00 0.00 -1.12 4.13 -1.26 -5.13 115.26 109.33 1x1g n ASN 77 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1x1g n ASN 77 Cb 0.46 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.70 1x1g n ASN 77 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1x1g n GLY 78 N 0.00 4.47 3.64 7.41 0.00 -1.26 -4.80 105.19 114.65 1x1g n GLY 78 Ca 0.00 -0.55 -0.62 0.00 0.00 0.00 0.00 46.02 44.85 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 0.04 0.00 1.61 0.31 -1.26 -4.80 118.33 114.23 1x1g n VAL 79 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1x1g n VAL 79 Cb 0.00 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 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 3.10 0.00 -3.63 5.55 -0.04 -1.26 -4.96 135.00 133.76 1x1g n PRO 80 Ca 0.25 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.55 1x1g n PRO 80 Cb 0.04 -0.52 -0.14 0.00 -0.04 0.00 0.00 33.50 32.84 1x1g n PRO 80 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1x1g s THR 81 N -0.20 -0.34 -0.70 0.52 2.01 -1.26 -4.96 115.64 110.72 1x1g s THR 81 Ca 0.00 0.24 -0.07 0.00 0.31 0.00 0.00 61.69 62.17 1x1g s THR 81 Cb 0.00 -0.43 0.01 0.00 0.01 0.00 0.00 72.50 72.10 1x1g s THR 81 CO 0.00 0.07 0.57 0.61 -0.69 0.00 0.00 174.62 175.18 1x1g n GLY 82 N 5.33 -0.95 3.09 4.40 0.00 -1.26 -4.95 105.19 110.86 1x1g n GLY 82 Ca -0.05 0.67 -0.30 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.61 1.67 0.00 1.61 1.01 -1.26 -5.06 120.40 115.76 1x1g s VAL 83 Ca 0.07 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1x1g s VAL 83 Cb -0.01 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.87 1x1g s VAL 83 CO 0.83 0.47 0.71 0.29 0.00 0.00 0.00 175.10 177.41 1x1g n LYS 84 N 4.12 0.00 0.00 2.72 4.76 -1.26 -4.59 118.16 123.91 1x1g n LYS 84 Ca -0.19 0.56 0.00 0.00 -2.87 0.00 0.00 58.31 55.81 1x1g n LYS 84 Cb 0.51 -1.21 0.00 0.00 -1.84 0.00 0.00 35.03 32.49 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 -0.91 -3.21 2.70 0.72 0.00 -1.26 -5.00 105.19 98.23 1x1g n GLY 85 Ca 0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 46.02 45.21 1x1g n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x1g s ASN 86 N -1.93 -0.49 1.23 1.61 4.22 -1.26 -4.93 114.94 113.38 1x1g s ASN 86 Ca 0.00 -0.56 -0.18 0.00 -2.14 0.00 0.00 52.86 49.97 1x1g s ASN 86 Cb 0.00 0.65 0.29 0.00 1.28 0.00 0.00 41.25 43.47 1x1g s ASN 86 CO 0.00 -0.02 1.06 0.68 -2.04 0.00 0.00 177.10 176.78 1x1g s VAL 87 N 1.04 1.60 0.00 3.54 -7.23 -1.26 -4.80 120.40 113.29 1x1g s VAL 87 Ca 0.24 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.41 1x1g s VAL 87 Cb 0.10 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.69 1x1g s VAL 87 CO -0.10 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.69 1x1g n GLN 88 N -4.91 0.00 -0.93 4.82 -0.00 -1.26 -4.09 117.38 111.01 1x1g n GLN 88 Ca 0.11 0.00 -0.37 0.00 -0.00 0.00 0.00 57.00 56.74 1x1g n GLN 88 Cb 0.59 -0.03 0.06 0.00 -0.00 0.00 0.00 30.24 30.86 1x1g n GLN 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1x1g n GLY 89 N -1.25 -3.09 0.33 2.61 0.00 -1.26 -4.65 105.19 97.88 1x1g n GLY 89 Ca 0.00 -0.35 0.18 0.00 0.00 0.00 0.00 46.02 45.85 1x1g n GLY 89 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1x1g h ASN 90 N -1.22 -0.11 -1.01 1.61 2.35 -1.97 -3.38 115.58 111.85 1x1g h ASN 90 Ca -0.43 0.24 0.10 0.00 -0.55 0.00 0.00 56.30 55.67 1x1g h ASN 90 Cb 1.38 0.35 -0.03 0.00 0.05 0.00 0.00 38.32 40.07 1x1g h ASN 90 CO 0.25 -0.30 -0.14 0.18 -1.65 0.00 0.00 177.43 175.77 1x1g n LEU 91 N -5.34 0.00 -3.63 1.61 4.77 -1.26 -2.10 117.00 111.06 1x1g n LEU 91 Ca 0.26 0.41 -0.06 0.00 -0.03 0.00 0.00 56.01 56.59 1x1g n LEU 91 Cb 0.85 -1.34 -0.06 0.00 -2.33 0.00 0.00 43.42 40.55 1x1g n LEU 91 CO -0.00 -0.99 0.97 0.72 -1.33 0.00 0.00 177.39 176.75 1x1g s PHE 92 N -0.95 -0.23 0.37 -1.77 -0.12 -0.84 -3.39 117.98 111.06 1x1g s PHE 92 Ca 0.00 0.47 0.08 0.00 -0.05 0.00 0.00 56.93 57.43 1x1g s PHE 92 Cb 0.00 0.45 -0.02 0.00 -0.63 0.00 0.00 43.02 42.82 1x1g s PHE 92 CO 0.00 -0.16 0.32 -1.59 -0.05 0.00 0.00 175.22 173.74 1x1g s LYS 93 N -0.50 2.63 -0.23 1.99 0.00 0.29 -0.64 119.74 123.28 1x1g s LYS 93 Ca 0.04 -1.40 -0.03 0.00 0.00 0.00 0.00 55.97 54.58 1x1g s LYS 93 Cb -0.03 -2.42 0.08 0.00 0.00 0.00 0.00 37.83 35.45 1x1g s LYS 93 CO -0.07 -0.02 0.07 0.08 0.00 0.00 0.00 175.35 175.41 1x1g s VAL 94 N -2.38 0.41 -0.48 1.79 1.01 0.26 -0.52 120.40 120.49 1x1g s VAL 94 Ca 0.44 -0.71 -0.25 0.00 0.00 0.00 0.00 61.98 61.45 1x1g s VAL 94 Cb -0.05 -1.09 0.03 0.00 0.00 0.00 0.00 36.38 35.27 1x1g s VAL 94 CO 0.27 -0.41 0.93 -0.63 0.00 0.00 0.00 175.10 175.27 1x1g s ILE 95 N 1.89 4.45 0.80 2.22 1.01 -0.40 0.46 121.20 131.63 1x1g s ILE 95 Ca 0.03 0.68 -0.06 0.00 0.00 0.00 0.00 60.65 61.30 1x1g s ILE 95 Cb -0.17 -4.46 0.15 0.00 0.01 0.00 0.00 42.46 37.99 1x1g s ILE 95 CO -0.17 -0.89 1.10 0.42 0.00 0.00 0.00 174.94 175.40 1x1g s THR 96 N 3.82 2.10 0.60 2.92 -4.23 -1.26 0.20 115.64 119.78 1x1g s THR 96 Ca 0.36 -0.38 0.30 0.00 -1.18 0.00 0.00 61.69 60.80 1x1g s THR 96 Cb -0.10 -2.72 0.36 0.00 1.34 0.00 0.00 72.50 71.38 1x1g s THR 96 CO 0.25 0.00 2.20 0.50 -0.54 0.00 0.00 174.62 177.03 1x1g h LYS 97 N -0.90 0.00 -0.14 3.99 3.64 -1.50 0.90 116.57 122.56 1x1g h LYS 97 Ca -0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1x1g h LYS 97 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1x1g h LYS 97 CO 0.41 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 177.34 1x1g n ASP 98 N -3.75 0.91 -4.27 4.20 8.00 -1.26 -4.88 116.55 115.50 1x1g n ASP 98 Ca -0.01 -1.80 -0.36 0.00 0.71 0.00 0.00 54.79 53.33 1x1g n ASP 98 Cb 0.18 -0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.15 1x1g n ASP 98 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1x1g n ASP 99 N -0.09 -2.15 -0.06 -2.24 8.00 0.31 -4.83 116.55 115.49 1x1g n ASP 99 Ca 0.10 -1.09 -0.17 0.00 0.71 0.00 0.00 54.79 54.35 1x1g n ASP 99 Cb 0.17 -2.43 -0.13 0.00 -0.02 0.00 0.00 41.12 38.72 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 -1.44 1.55 -3.10 -3.53 2.02 -1.87 -3.47 112.91 103.08 1x1g h THR 100 Ca -0.61 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 64.24 1x1g h THR 100 Cb 1.39 3.10 -0.00 0.00 -1.74 0.00 0.00 68.15 70.90 1x1g h THR 100 CO 0.78 0.57 -0.05 1.41 0.37 0.00 0.00 175.52 178.59 1x1g n HIS 101 N -4.48 -0.19 -3.39 3.16 8.25 -1.17 -4.96 115.22 112.43 1x1g n HIS 101 Ca -0.16 0.09 -0.38 0.00 -0.26 0.00 0.00 57.72 57.02 1x1g n HIS 101 Cb 0.58 -1.62 -0.07 0.00 1.12 0.00 0.00 29.99 30.00 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 -0.06 3.41 -0.14 4.41 2.02 0.17 -4.72 117.35 122.44 1x1g s TYR 102 Ca -0.00 0.66 -0.20 0.00 -0.37 0.00 0.00 57.07 57.16 1x1g s TYR 102 Cb 0.00 -2.51 -0.03 0.00 -0.40 0.00 0.00 41.96 39.02 1x1g s TYR 102 CO 0.04 0.05 0.58 0.71 -1.57 0.00 0.00 175.55 175.36 1x1g s TYR 103 N 1.08 3.47 0.13 2.71 1.51 -1.26 0.92 117.35 125.90 1x1g s TYR 103 Ca 0.20 0.97 0.02 0.00 -1.01 0.00 0.00 57.07 57.25 1x1g s TYR 103 Cb -0.15 -2.69 -0.04 0.00 -0.11 0.00 0.00 41.96 38.97 1x1g s TYR 103 CO 0.08 0.02 -0.05 0.42 -1.11 0.00 0.00 175.55 174.91 1x1g s ILE 104 N 1.13 0.79 0.15 2.71 1.01 0.19 -2.85 121.20 124.33 1x1g s ILE 104 Ca 0.29 -1.97 0.11 0.00 0.00 0.00 0.00 60.65 59.08 1x1g s ILE 104 Cb -0.16 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 1x1g s ILE 104 CO 0.12 -0.74 -0.25 -1.58 0.00 0.00 0.00 174.94 172.49 1x1g s GLN 105 N -3.84 1.48 0.14 2.79 2.00 -0.09 -1.98 119.66 120.17 1x1g s GLN 105 Ca 0.16 -1.40 0.05 0.00 -2.00 0.00 0.00 55.36 52.16 1x1g s GLN 105 Cb 0.05 -1.90 -0.04 0.00 0.80 0.00 0.00 33.01 31.92 1x1g s GLN 105 CO -0.01 0.43 0.11 0.00 -0.50 0.00 0.00 175.29 175.32 1x1g s ALA 106 N -1.31 3.54 0.13 1.58 0.00 -1.26 -3.05 121.76 121.39 1x1g s ALA 106 Ca 0.17 -1.17 -0.16 0.00 0.00 0.00 0.00 51.96 50.80 1x1g s ALA 106 Cb -0.09 -1.36 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 1x1g s ALA 106 CO 0.08 0.57 1.64 0.77 0.00 0.00 0.00 175.76 178.82 1x1g h SER 107 N 2.67 0.57 -4.25 0.00 0.02 -1.90 -3.46 113.55 107.20 1x1g h SER 107 Ca -0.47 -0.21 -0.34 0.00 -0.84 0.00 0.00 61.79 59.92 1x1g h SER 107 Cb 1.19 -0.15 -0.14 0.00 0.14 0.00 0.00 62.40 63.44 1x1g h SER 107 CO 0.63 0.63 -0.64 -0.44 -1.14 0.00 0.00 176.83 175.87 1x1g s SER 108 N -5.93 1.45 0.58 3.07 0.01 -1.26 -4.98 113.70 106.63 1x1g s SER 108 Ca -0.13 -1.26 0.28 0.00 1.31 0.00 0.00 55.95 56.15 1x1g s SER 108 Cb 0.10 0.09 1.60 0.00 0.21 0.00 0.00 66.02 68.02 1x1g s SER 108 CO 0.76 -0.60 2.07 0.11 0.41 0.00 0.00 173.24 175.99 1x1g h LYS 109 N 2.51 0.00 0.00 12.44 6.56 -2.01 -1.67 116.57 134.39 1x1g h LYS 109 Ca -0.38 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.14 1x1g h LYS 109 Cb 1.22 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.87 1x1g h LYS 109 CO 0.63 0.00 -0.44 0.00 -2.06 0.00 0.00 179.45 177.58 1x1g h ALA 110 N 1.73 0.08 -0.99 3.86 0.00 -1.97 -3.30 119.26 118.66 1x1g h ALA 110 Ca 0.11 -0.63 0.40 0.00 0.00 0.00 0.00 54.91 54.79 1x1g h ALA 110 Cb 0.61 0.28 -0.18 0.00 0.00 0.00 0.00 17.79 18.50 1x1g h ALA 110 CO -0.00 0.27 0.47 -1.91 0.00 0.00 0.00 179.25 178.08 1x1g n GLU 111 N -4.59 -0.06 0.00 0.00 4.07 -0.69 -0.42 120.64 118.95 1x1g n GLU 111 Ca -0.15 1.38 0.00 0.00 -0.06 0.00 0.00 57.16 58.34 1x1g n GLU 111 Cb 0.43 -2.45 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 -5.27 0.00 -0.55 5.31 0.63 -0.82 0.15 116.66 116.11 1x1g n ARG 112 Ca 0.36 0.35 0.44 0.00 -0.92 0.00 0.00 57.85 58.08 1x1g n ARG 112 Cb 1.21 -1.34 0.73 0.00 0.45 0.00 0.00 32.46 33.51 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 -2.00 3.23 0.02 5.13 0.00 -1.27 1.40 119.26 125.77 1x1g h ALA 113 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1x1g h ALA 113 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1x1g h ALA 113 CO 0.00 -1.83 -0.01 0.93 0.00 0.00 0.00 179.25 178.34 1x1g h GLU 114 N 0.03 -0.02 0.00 0.00 4.39 -0.41 0.15 114.58 118.72 1x1g h GLU 114 Ca 0.86 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.55 1x1g h GLU 114 Cb 3.08 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 31.73 1x1g h GLU 114 CO -0.24 0.66 -0.06 -1.49 -1.16 0.00 0.00 179.01 176.72 1x1g h TRP 115 N -0.73 0.00 0.00 4.33 4.06 1.00 -0.19 115.95 124.42 1x1g h TRP 115 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1x1g h TRP 115 Cb 0.69 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.85 1x1g h TRP 115 CO 0.17 0.06 0.00 -0.89 -3.56 0.00 0.00 178.44 174.22 1x1g n ILE 116 N -3.60 0.00 -0.30 1.49 5.41 0.39 -2.82 119.36 119.93 1x1g n ILE 116 Ca -0.02 0.15 0.21 0.00 1.00 0.00 0.00 62.75 64.09 1x1g n ILE 116 Cb 0.17 -0.45 0.39 0.00 -0.71 0.00 0.00 39.64 39.04 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 -0.94 -0.06 0.26 0.38 2.13 0.50 0.95 120.64 123.87 1x1g n GLU 117 Ca 0.00 1.28 -0.17 0.00 0.66 0.00 0.00 57.16 58.92 1x1g n GLU 117 Cb 0.00 -2.16 -0.09 0.00 0.27 0.00 0.00 31.44 29.46 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 1.77 -1.03 -0.12 4.31 0.00 -1.18 -0.66 119.26 122.35 1x1g h ALA 118 Ca 0.65 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.44 1x1g h ALA 118 Cb 1.56 0.70 -0.06 0.00 0.00 0.00 0.00 17.79 19.98 1x1g h ALA 118 CO -0.76 -1.12 -0.40 0.82 0.00 0.00 0.00 179.25 177.79 1x1g h ILE 119 N -0.92 0.17 -0.95 0.00 2.04 0.75 -0.75 117.51 117.84 1x1g h ILE 119 Ca -0.04 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.99 1x1g h ILE 119 Cb 0.82 0.17 -0.17 0.00 -0.74 0.00 0.00 36.82 36.90 1x1g h ILE 119 CO -0.09 0.00 -0.30 0.11 0.00 0.00 0.00 178.15 177.87 1x1g h LYS 120 N -0.48 -0.01 -0.75 2.37 1.57 -0.77 0.36 116.57 118.86 1x1g h LYS 120 Ca 0.08 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.93 1x1g h LYS 120 Cb 0.61 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.82 1x1g h LYS 120 CO -0.38 -0.01 -0.56 0.87 -0.57 0.00 0.00 179.45 178.80 1x1g h LYS 121 N -0.01 -0.14 -0.12 3.15 1.57 0.42 0.12 116.57 121.55 1x1g h LYS 121 Ca 0.40 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.24 1x1g h LYS 121 Cb 0.65 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.94 1x1g h LYS 121 CO -0.97 -0.10 -0.26 -0.07 -0.57 0.00 0.00 179.45 177.49 1x1g h LEU 122 N -0.15 -0.79 -5.92 2.94 -0.00 -0.18 -2.94 115.31 108.27 1x1g h LEU 122 Ca 0.12 0.12 -0.50 0.00 -0.00 0.00 0.00 57.88 57.62 1x1g h LEU 122 Cb 0.47 0.34 0.03 0.00 -0.00 0.00 0.00 40.66 41.50 1x1g h LEU 122 CO -0.78 -0.31 2.46 0.35 -0.00 0.00 0.00 178.44 180.16 1x1g n THR 123 N -5.38 2.14 -3.64 0.22 -2.24 0.40 -4.32 114.28 101.47 1x1g n THR 123 Ca -0.03 -1.52 -0.01 0.00 -2.27 0.00 0.00 64.05 60.22 1x1g n THR 123 Cb 0.29 -2.22 -0.01 0.00 -2.10 0.00 0.00 70.33 66.30 1x1g n THR 123 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1x1g s SER 124 N 4.14 -0.12 0.00 3.42 0.15 -1.11 -4.84 113.70 115.33 1x1g s SER 124 Ca 0.47 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.96 1x1g s SER 124 Cb 0.12 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1x1g s SER 124 CO 0.03 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 174.64 1x1g n GLY 125 N -0.40 1.21 3.73 9.45 0.00 -1.26 -5.00 105.19 112.90 1x1g n GLY 125 Ca -0.07 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 1x1g n GLY 125 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x1g s PRO 126 N 1.44 4.52 0.32 1.61 0.04 -1.26 -5.02 135.00 136.65 1x1g s PRO 126 Ca 0.00 1.74 -0.09 0.00 0.04 0.00 0.00 61.00 62.68 1x1g s PRO 126 Cb 0.00 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 31.24 1x1g s PRO 126 CO 0.00 -0.07 0.55 0.45 0.04 0.00 0.00 177.00 177.97 1x1g s SER 127 N 0.39 0.35 -0.05 6.66 0.15 -1.26 -5.19 113.70 114.75 1x1g s SER 127 Ca 0.53 -1.20 -0.31 0.00 0.70 0.00 0.00 55.95 55.67 1x1g s SER 127 Cb -0.29 0.68 0.13 0.00 -1.71 0.00 0.00 66.02 64.82 1x1g s SER 127 CO 0.33 -1.32 1.33 -0.44 1.20 0.00 0.00 173.24 174.33 1x1g s SER 128 N -3.12 -0.04 0.00 5.45 0.01 -1.26 -5.27 113.70 109.46 1x1g s SER 128 Ca 0.24 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.41 1x1g s SER 128 Cb -0.02 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1x1g s SER 128 CO 0.14 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.19