#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 6.55 0.23 1.61 0.15 -1.26 -5.00 113.70 115.98 1x1g s SER 2 Ca 0.00 2.62 0.09 0.00 0.70 0.00 0.00 55.95 59.36 1x1g s SER 2 Cb 0.00 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 1x1g s SER 2 CO 0.00 -0.88 -0.05 -0.94 1.20 0.00 0.00 173.24 172.57 1x1g s SER 3 N 1.70 4.38 0.51 5.45 1.04 -1.26 -5.15 113.70 120.37 1x1g s SER 3 Ca 0.73 -0.63 0.04 0.00 0.48 0.00 0.00 55.95 56.57 1x1g s SER 3 Cb -0.43 -0.77 -0.00 0.00 0.10 0.00 0.00 66.02 64.92 1x1g s SER 3 CO 0.32 0.05 0.19 -0.83 0.98 0.00 0.00 173.24 173.95 1x1g s GLY 4 N -3.28 2.65 -0.21 7.32 0.00 -1.26 -5.15 107.32 107.39 1x1g s GLY 4 Ca 0.28 -1.05 -0.34 0.00 0.00 0.00 0.00 44.72 43.62 1x1g s GLY 4 CO 0.18 -2.05 1.22 -0.45 0.00 0.00 0.00 173.10 172.00 1x1g s SER 5 N -4.03 -0.14 0.32 1.64 0.15 -1.26 -5.09 113.70 105.28 1x1g s SER 5 Ca 0.23 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.93 1x1g s SER 5 Cb 0.01 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 1x1g s SER 5 CO 0.14 -0.20 0.00 -0.24 1.20 0.00 0.00 173.24 174.14 1x1g n SER 6 N 0.12 -1.41 0.00 5.45 2.88 -1.26 -5.18 113.62 114.22 1x1g n SER 6 Ca -0.01 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 1x1g n SER 6 Cb 0.58 1.47 0.00 0.00 -0.75 0.00 0.00 64.21 65.51 1x1g n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1g n GLY 7 N 0.51 3.29 0.57 0.46 0.00 -1.26 -5.12 105.19 103.63 1x1g n GLY 7 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1x1g n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x1g n SER 8 N 0.00 -1.01 -3.02 1.61 2.88 -1.26 -5.05 113.62 107.76 1x1g n SER 8 Ca 0.00 0.55 -0.13 0.00 -1.33 0.00 0.00 58.87 57.95 1x1g n SER 8 Cb 0.00 1.28 0.06 0.00 -0.75 0.00 0.00 64.21 64.80 1x1g n SER 8 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1x1g n LEU 9 N -3.01 -4.97 -3.15 2.46 4.77 -1.26 -5.02 117.00 106.81 1x1g n LEU 9 Ca 0.00 -0.60 0.04 0.00 -0.03 0.00 0.00 56.01 55.42 1x1g n LEU 9 Cb 0.00 -2.83 -0.00 0.00 -2.33 0.00 0.00 43.42 38.25 1x1g n LEU 9 CO 0.00 0.12 0.25 -0.55 -1.33 0.00 0.00 177.39 175.87 1x1g s SER 10 N -3.44 -1.22 0.50 -1.43 0.15 -1.26 -5.17 113.70 101.84 1x1g s SER 10 Ca 0.35 0.29 -0.00 0.00 0.70 0.00 0.00 55.95 57.28 1x1g s SER 10 Cb -0.05 1.83 0.01 0.00 -1.71 0.00 0.00 66.02 66.11 1x1g s SER 10 CO 0.64 -0.22 0.74 -0.89 1.20 0.00 0.00 173.24 174.70 1x1g s THR 11 N 2.87 3.51 0.00 6.45 2.01 -1.26 -5.03 115.64 124.20 1x1g s THR 11 Ca 0.15 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.67 1x1g s THR 11 Cb -0.09 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.10 1x1g s THR 11 CO -0.23 -0.24 0.00 0.55 -0.69 0.00 0.00 174.62 174.01 1x1g n VAL 12 N -2.24 0.00 -0.25 3.82 3.14 -1.26 -4.67 118.33 116.87 1x1g n VAL 12 Ca 0.04 0.00 0.01 0.00 -2.96 0.00 0.00 64.34 61.42 1x1g n VAL 12 Cb 0.58 0.00 0.13 0.00 -1.06 0.00 0.00 33.84 33.49 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 0.68 0.00 1.45 5.08 -1.95 0.14 114.58 119.97 1x1g h GLU 13 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1x1g h GLU 13 Cb 0.00 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1x1g h GLU 13 CO 0.00 0.45 -0.29 1.28 -1.00 0.00 0.00 179.01 179.45 1x1g n LEU 14 N -4.79 0.59 -3.43 1.33 4.77 -1.26 -4.28 117.00 109.92 1x1g n LEU 14 Ca 0.11 0.36 -0.40 0.00 -0.03 0.00 0.00 56.01 56.05 1x1g n LEU 14 Cb 0.23 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 1x1g n LEU 14 CO 0.27 -0.06 3.09 -0.24 -1.33 0.00 0.00 177.39 179.13 1x1g n SER 15 N -1.97 7.59 -4.13 -1.43 2.88 0.50 -4.84 113.62 112.23 1x1g n SER 15 Ca 0.05 -2.71 -0.12 0.00 -1.33 0.00 0.00 58.87 54.76 1x1g n SER 15 Cb 0.40 -1.55 -0.09 0.00 -0.75 0.00 0.00 64.21 62.22 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 2.10 1.37 0.35 0.46 0.00 -1.26 -3.73 107.32 106.60 1x1g s GLY 16 Ca 0.62 -1.61 -0.26 0.00 0.00 0.00 0.00 44.72 43.47 1x1g s GLY 16 CO -0.07 -1.30 1.02 -1.59 0.00 0.00 0.00 173.10 171.16 1x1g s THR 17 N -4.10 3.86 -0.04 0.90 2.01 0.25 -4.62 115.64 113.90 1x1g s THR 17 Ca 0.37 1.54 -0.29 0.00 0.31 0.00 0.00 61.69 63.62 1x1g s THR 17 Cb 0.06 -3.85 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 1x1g s THR 17 CO 0.12 0.12 0.97 -0.69 -0.69 0.00 0.00 174.62 174.46 1x1g s VAL 18 N -1.55 4.86 -0.12 3.82 1.01 -1.26 0.21 120.40 127.36 1x1g s VAL 18 Ca 0.53 2.02 -0.02 0.00 0.00 0.00 0.00 61.98 64.51 1x1g s VAL 18 Cb -0.22 -4.30 -0.07 0.00 0.00 0.00 0.00 36.38 31.79 1x1g s VAL 18 CO 0.28 0.12 -0.12 1.33 0.00 0.00 0.00 175.10 176.71 1x1g n VAL 19 N 4.09 0.65 -3.81 2.92 0.24 0.13 -4.89 118.33 117.65 1x1g n VAL 19 Ca 0.06 -0.22 -0.12 0.00 -2.04 0.00 0.00 64.34 62.02 1x1g n VAL 19 Cb 0.50 -1.16 -0.12 0.00 -1.47 0.00 0.00 33.84 31.59 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 -2.22 0.22 -0.01 7.34 2.47 -1.04 -5.01 119.74 121.49 1x1g s LYS 20 Ca -0.16 0.21 -0.08 0.00 -1.56 0.00 0.00 55.97 54.39 1x1g s LYS 20 Cb 0.05 0.11 0.01 0.00 -1.46 0.00 0.00 37.83 36.53 1x1g s LYS 20 CO 0.24 -0.03 0.16 -0.65 0.16 0.00 0.00 175.35 175.23 1x1g s GLN 21 N 0.02 0.48 0.00 4.03 -0.21 -1.26 0.20 119.66 122.91 1x1g s GLN 21 Ca -0.01 -0.32 0.00 0.00 0.02 0.00 0.00 55.36 55.06 1x1g s GLN 21 Cb -0.02 0.20 0.00 0.00 1.00 0.00 0.00 33.01 34.20 1x1g s GLN 21 CO 0.00 -0.11 0.00 0.41 -2.12 0.00 0.00 175.29 173.47 1x1g n GLY 22 N 1.58 -0.51 3.14 3.09 0.00 -0.79 -5.02 105.19 106.68 1x1g n GLY 22 Ca -0.22 -1.05 -0.33 0.00 0.00 0.00 0.00 46.02 44.43 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 2.75 0.40 1.61 1.51 -1.26 -0.48 117.35 118.89 1x1g s TYR 23 Ca 0.00 -1.54 0.07 0.00 -1.01 0.00 0.00 57.07 54.59 1x1g s TYR 23 Cb 0.00 -1.89 -0.05 0.00 -0.11 0.00 0.00 41.96 39.90 1x1g s TYR 23 CO 0.00 -0.74 0.16 -0.51 -1.11 0.00 0.00 175.55 173.35 1x1g s LEU 24 N 1.15 3.11 -0.30 -1.29 1.43 0.20 -4.11 118.68 118.86 1x1g s LEU 24 Ca 0.01 -1.07 0.02 0.00 -1.03 0.00 0.00 54.13 52.06 1x1g s LEU 24 Cb -0.14 -1.42 0.07 0.00 0.03 0.00 0.00 46.19 44.73 1x1g s LEU 24 CO -0.09 -0.51 -0.02 0.00 0.23 0.00 0.00 176.35 175.96 1x1g s ALA 25 N -2.59 2.75 -0.37 4.21 0.00 -1.18 0.17 121.76 124.75 1x1g s ALA 25 Ca 0.40 -2.05 -0.22 0.00 0.00 0.00 0.00 51.96 50.09 1x1g s ALA 25 Cb 0.04 -1.83 0.01 0.00 0.00 0.00 0.00 23.12 21.34 1x1g s ALA 25 CO 0.22 -1.40 0.73 0.21 0.00 0.00 0.00 175.76 175.53 1x1g s LYS 26 N 1.07 3.69 -0.37 0.00 2.20 -0.00 -1.30 119.74 125.02 1x1g s LYS 26 Ca -0.01 0.18 -0.45 0.00 -0.36 0.00 0.00 55.97 55.33 1x1g s LYS 26 Cb -0.20 -3.82 -0.19 0.00 -1.51 0.00 0.00 37.83 32.11 1x1g s LYS 26 CO -0.05 -0.84 1.55 0.94 -0.36 0.00 0.00 175.35 176.58 1x1g n GLN 27 N 6.32 0.25 -0.15 4.03 7.27 -0.56 -2.89 117.38 131.65 1x1g n GLN 27 Ca 0.02 0.09 -0.09 0.00 0.07 0.00 0.00 57.00 57.09 1x1g n GLN 27 Cb 0.48 -1.63 -0.00 0.00 2.41 0.00 0.00 30.24 31.50 1x1g n GLN 27 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1x1g h GLY 28 N 5.12 0.72 0.00 1.69 0.00 0.64 -3.46 103.07 107.78 1x1g h GLY 28 Ca -0.45 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.47 1x1g h GLY 28 CO 0.93 0.38 0.00 1.57 0.00 0.00 0.00 176.54 179.42 1x1g n HIS 29 N -4.59 0.00 0.00 5.60 -0.00 0.22 -3.61 115.22 112.84 1x1g n HIS 29 Ca 0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.19 1x1g n HIS 29 Cb 0.16 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.03 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 0.00 -0.38 1.57 3.00 -1.26 -4.63 118.16 116.45 1x1g n LYS 30 Ca 0.00 0.06 -0.09 0.00 -0.00 0.00 0.00 58.31 58.28 1x1g n LYS 30 Cb 0.00 -0.53 -0.07 0.00 0.00 0.00 0.00 35.03 34.43 1x1g n LYS 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1x1g n ARG 31 N -2.37 -0.37 -1.70 1.64 3.00 -1.24 -4.79 116.66 110.83 1x1g n ARG 31 Ca 0.00 1.41 -0.02 0.00 -0.01 0.00 0.00 57.85 59.23 1x1g n ARG 31 Cb 0.00 -2.08 -0.00 0.00 0.00 0.00 0.00 32.46 30.38 1x1g n ARG 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1x1g n LYS 32 N -5.20 0.12 0.04 5.56 4.01 -1.26 -5.08 118.16 116.35 1x1g n LYS 32 Ca 0.03 -0.35 -0.02 0.00 -0.51 0.00 0.00 58.31 57.46 1x1g n LYS 32 Cb 0.27 0.37 -0.01 0.00 -0.51 0.00 0.00 35.03 35.15 1x1g n LYS 32 CO 0.00 0.00 0.00 -0.91 -1.11 0.00 0.00 177.40 175.38 1x1g h ASN 33 N 0.27 -0.10 -3.39 4.39 2.35 -1.87 0.63 115.58 117.87 1x1g h ASN 33 Ca -0.04 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.48 1x1g h ASN 33 Cb 0.16 0.03 -0.31 0.00 0.05 0.00 0.00 38.32 38.25 1x1g h ASN 33 CO 0.05 0.00 -0.58 0.26 -1.65 0.00 0.00 177.43 175.52 1x1g s TRP 34 N -2.07 -0.20 -0.05 1.19 0.52 -1.26 0.92 118.94 117.99 1x1g s TRP 34 Ca -0.02 0.56 0.06 0.00 0.02 0.00 0.00 56.10 56.72 1x1g s TRP 34 Cb 0.00 -0.06 -0.02 0.00 -1.15 0.00 0.00 33.47 32.24 1x1g s TRP 34 CO 0.05 -0.19 -0.23 0.15 0.02 0.00 0.00 176.95 176.75 1x1g s LYS 35 N 1.25 2.47 0.18 4.98 -0.14 -1.14 -4.81 119.74 122.54 1x1g s LYS 35 Ca -0.09 -0.87 -0.27 0.00 -1.36 0.00 0.00 55.97 53.38 1x1g s LYS 35 Cb -0.11 -2.18 -0.08 0.00 -1.68 0.00 0.00 37.83 33.77 1x1g s LYS 35 CO -0.07 0.45 0.84 0.08 -0.76 0.00 0.00 175.35 175.89 1x1g s VAL 36 N -0.33 4.30 -0.02 3.17 1.01 -1.26 -0.82 120.40 126.44 1x1g s VAL 36 Ca 0.01 1.84 -0.15 0.00 0.00 0.00 0.00 61.98 63.69 1x1g s VAL 36 Cb -0.12 -4.21 0.03 0.00 0.00 0.00 0.00 36.38 32.07 1x1g s VAL 36 CO 0.02 0.50 0.32 -0.60 0.00 0.00 0.00 175.10 175.34 1x1g s ARG 37 N -1.04 0.66 -0.65 2.72 3.52 0.46 -4.70 118.95 119.93 1x1g s ARG 37 Ca 0.38 -0.13 -0.28 0.00 -0.13 0.00 0.00 55.73 55.57 1x1g s ARG 37 Cb -0.24 0.30 0.02 0.00 -1.56 0.00 0.00 34.95 33.47 1x1g s ARG 37 CO 0.28 -0.18 1.31 0.50 -0.81 0.00 0.00 175.30 176.41 1x1g s ARG 38 N -1.22 3.28 -0.04 5.12 3.52 -0.38 0.59 118.95 129.82 1x1g s ARG 38 Ca -0.13 0.10 -0.11 0.00 -0.13 0.00 0.00 55.73 55.46 1x1g s ARG 38 Cb -0.05 -4.13 -0.05 0.00 -1.56 0.00 0.00 34.95 29.16 1x1g s ARG 38 CO 0.04 -2.00 0.31 -0.06 -0.81 0.00 0.00 175.30 172.78 1x1g s PHE 39 N 5.76 3.67 -0.03 5.12 0.40 0.37 -0.52 117.98 132.75 1x1g s PHE 39 Ca 0.43 0.81 0.06 0.00 -0.60 0.00 0.00 56.93 57.63 1x1g s PHE 39 Cb -0.09 -2.15 -0.01 0.00 0.51 0.00 0.00 43.02 41.28 1x1g s PHE 39 CO 0.21 0.67 -0.21 0.54 0.70 0.00 0.00 175.22 177.13 1x1g s VAL 40 N -1.09 1.69 -0.27 -0.44 0.11 0.35 -1.88 120.40 118.87 1x1g s VAL 40 Ca 0.21 -0.89 -0.04 0.00 -2.93 0.00 0.00 61.98 58.33 1x1g s VAL 40 Cb -0.15 -1.42 0.02 0.00 -1.53 0.00 0.00 36.38 33.30 1x1g s VAL 40 CO 0.10 0.48 0.00 -0.22 -3.33 0.00 0.00 175.10 172.13 1x1g s LEU 41 N -0.30 3.50 0.12 2.54 0.20 0.53 -1.96 118.68 123.31 1x1g s LEU 41 Ca 0.03 -0.82 0.10 0.00 0.69 0.00 0.00 54.13 54.12 1x1g s LEU 41 Cb -0.10 -1.76 -0.04 0.00 -0.43 0.00 0.00 46.19 43.86 1x1g s LEU 41 CO 0.01 -0.16 -0.20 -0.13 -0.29 0.00 0.00 176.35 175.58 1x1g s ARG 42 N 1.39 1.69 0.16 1.98 0.52 -1.00 0.17 118.95 123.86 1x1g s ARG 42 Ca 0.01 -1.23 0.09 0.00 -0.52 0.00 0.00 55.73 54.07 1x1g s ARG 42 Cb -0.17 -2.05 -0.04 0.00 0.52 0.00 0.00 34.95 33.20 1x1g s ARG 42 CO -0.01 0.47 -0.19 -1.59 0.02 0.00 0.00 175.30 173.99 1x1g s LYS 43 N -2.16 1.26 -0.46 3.54 0.00 0.56 -1.95 119.74 120.53 1x1g s LYS 43 Ca 0.17 -1.37 -0.38 0.00 0.00 0.00 0.00 55.97 54.40 1x1g s LYS 43 Cb -0.10 -1.37 0.06 0.00 0.00 0.00 0.00 37.83 36.41 1x1g s LYS 43 CO 0.09 0.29 0.66 -3.47 0.00 0.00 0.00 175.35 172.92 1x1g n ASP 44 N 0.43 -5.61 -4.75 0.03 2.03 -1.26 0.86 116.55 108.27 1x1g n ASP 44 Ca -0.14 -0.14 -0.29 0.00 0.52 0.00 0.00 54.79 54.74 1x1g n ASP 44 Cb 0.56 -1.84 0.14 0.00 -0.72 0.00 0.00 41.12 39.26 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 -2.51 1.08 -0.48 -0.67 0.04 -1.24 -3.62 135.00 127.60 1x1g s PRO 45 Ca 0.37 0.27 -0.18 0.00 0.04 0.00 0.00 61.00 61.50 1x1g s PRO 45 Cb -0.04 -1.83 0.05 0.00 0.04 0.00 0.00 34.50 32.71 1x1g s PRO 45 CO 0.87 -2.23 0.57 0.00 0.04 0.00 0.00 177.00 176.25 1x1g s ALA 46 N -3.29 3.41 0.36 8.56 0.00 -1.26 -4.70 121.76 124.84 1x1g s ALA 46 Ca 0.64 -1.69 -0.07 0.00 0.00 0.00 0.00 51.96 50.83 1x1g s ALA 46 Cb -0.14 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 19.74 1x1g s ALA 46 CO 0.53 -1.88 0.59 -0.06 0.00 0.00 0.00 175.76 174.94 1x1g s PHE 47 N 2.44 0.72 -0.20 0.00 0.40 -0.82 -3.16 117.98 117.35 1x1g s PHE 47 Ca 0.14 -1.10 -0.07 0.00 -0.60 0.00 0.00 56.93 55.30 1x1g s PHE 47 Cb -0.19 0.25 0.09 0.00 0.51 0.00 0.00 43.02 43.68 1x1g s PHE 47 CO 0.12 -1.29 0.41 -1.17 0.70 0.00 0.00 175.22 174.00 1x1g s LEU 48 N -3.17 -0.63 0.27 -0.37 2.96 -1.14 -2.39 118.68 114.21 1x1g s LEU 48 Ca 0.25 0.95 0.07 0.00 -0.22 0.00 0.00 54.13 55.18 1x1g s LEU 48 Cb -0.02 1.32 -0.06 0.00 0.50 0.00 0.00 46.19 47.93 1x1g s LEU 48 CO 0.17 -0.23 -0.08 -1.00 -1.32 0.00 0.00 176.35 173.88 1x1g s HIS 49 N 2.61 1.97 0.25 5.38 3.76 -0.83 -2.30 115.29 126.13 1x1g s HIS 49 Ca -0.01 -0.64 0.06 0.00 -0.15 0.00 0.00 55.06 54.31 1x1g s HIS 49 Cb -0.12 -1.08 -0.02 0.00 1.11 0.00 0.00 32.58 32.47 1x1g s HIS 49 CO -0.13 0.34 0.21 2.48 -0.85 0.00 0.00 174.74 176.79 1x1g n TYR 50 N -0.57 -0.57 -3.59 1.40 4.11 -1.26 0.13 117.16 116.81 1x1g n TYR 50 Ca -0.06 -2.12 -0.16 0.00 -0.00 0.00 0.00 57.90 55.56 1x1g n TYR 50 Cb 0.63 0.21 -0.07 0.00 -0.00 0.00 0.00 39.34 40.11 1x1g n TYR 50 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 1x1g s TYR 51 N -3.01 -0.65 -0.12 -3.48 1.51 0.32 -2.24 117.35 109.67 1x1g s TYR 51 Ca 0.30 1.32 -0.29 0.00 -1.01 0.00 0.00 57.07 57.39 1x1g s TYR 51 Cb 0.01 0.33 -0.01 0.00 -0.11 0.00 0.00 41.96 42.18 1x1g s TYR 51 CO 0.21 -0.50 1.08 0.34 -1.11 0.00 0.00 175.55 175.57 1x1g s ASP 52 N -0.61 7.15 0.00 2.29 -1.08 -1.26 -1.25 116.67 121.91 1x1g s ASP 52 Ca -0.07 1.58 0.23 0.00 -0.52 0.00 0.00 52.55 53.78 1x1g s ASP 52 Cb -0.02 -2.55 1.39 0.00 -1.46 0.00 0.00 42.92 40.28 1x1g s ASP 52 CO 0.06 -0.55 1.77 -0.81 0.52 0.00 0.00 175.17 176.16 1x1g n PRO 53 N 5.44 0.75 -0.13 4.34 -0.04 -1.26 -3.16 135.00 140.94 1x1g n PRO 53 Ca 0.10 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.30 1x1g n PRO 53 Cb 0.47 -1.48 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 1x1g n PRO 53 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x1g n SER 54 N -0.98 1.86 -3.19 3.54 2.88 -1.26 -5.00 113.62 111.46 1x1g n SER 54 Ca 0.18 0.24 -0.20 0.00 -1.33 0.00 0.00 58.87 57.76 1x1g n SER 54 Cb 0.08 -0.70 0.17 0.00 -0.75 0.00 0.00 64.21 63.02 1x1g n SER 54 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1x1g n LYS 55 N -4.00 -2.73 -3.32 -1.46 4.76 -1.19 -5.06 118.16 105.15 1x1g n LYS 55 Ca -0.49 -1.12 -0.09 0.00 -2.87 0.00 0.00 58.31 53.73 1x1g n LYS 55 Cb 0.87 -1.12 -0.07 0.00 -1.84 0.00 0.00 35.03 32.88 1x1g n LYS 55 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1x1g s GLU 56 N -4.59 0.39 0.32 1.97 2.02 -1.26 -4.92 118.70 112.62 1x1g s GLU 56 Ca 0.46 0.24 -0.18 0.00 0.02 0.00 0.00 54.97 55.52 1x1g s GLU 56 Cb -0.05 -0.37 0.03 0.00 0.10 0.00 0.00 34.13 33.84 1x1g s GLU 56 CO 0.36 -0.91 0.72 -2.00 0.02 0.00 0.00 175.26 173.44 1x1g s GLU 57 N 2.54 1.94 -0.37 1.61 2.12 -1.26 -4.90 118.70 120.37 1x1g s GLU 57 Ca 0.11 -1.21 0.07 0.00 0.36 0.00 0.00 54.97 54.30 1x1g s GLU 57 Cb -0.13 0.60 0.66 0.00 0.26 0.00 0.00 34.13 35.52 1x1g s GLU 57 CO -0.26 -0.89 1.79 0.09 -0.54 0.00 0.00 175.26 175.45 1x1g n ASN 58 N -0.84 3.91 -3.96 -1.70 3.02 -1.26 -4.93 115.26 109.51 1x1g n ASN 58 Ca -0.05 -3.49 -0.10 0.00 -0.03 0.00 0.00 54.58 50.92 1x1g n ASN 58 Cb 0.60 -0.76 -0.11 0.00 -0.61 0.00 0.00 39.78 38.89 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 -3.17 0.29 0.75 3.52 1.81 -1.26 -5.16 118.95 115.73 1x1g s ARG 59 Ca 0.54 -0.52 -0.11 0.00 -1.72 0.00 0.00 55.73 53.92 1x1g s ARG 59 Cb 0.45 0.10 0.04 0.00 -0.45 0.00 0.00 34.95 35.10 1x1g s ARG 59 CO 0.10 -0.05 1.08 -1.25 -0.68 0.00 0.00 175.30 174.50 1x1g s PRO 60 N -1.28 2.49 0.35 3.54 0.04 -1.26 -4.88 135.00 133.99 1x1g s PRO 60 Ca -0.14 0.79 0.15 0.00 0.04 0.00 0.00 61.00 61.84 1x1g s PRO 60 Cb -0.09 -1.95 0.62 0.00 0.04 0.00 0.00 34.50 33.13 1x1g s PRO 60 CO -0.01 -1.38 1.73 0.28 0.04 0.00 0.00 177.00 177.67 1x1g h VAL 61 N -0.92 1.13 0.00 -0.36 2.07 -1.81 -3.48 116.25 112.89 1x1g h VAL 61 Ca -0.45 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 65.45 1x1g h VAL 61 Cb 1.24 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 1x1g h VAL 61 CO 0.58 0.43 0.00 0.61 0.02 0.00 0.00 177.57 179.21 1x1g n GLY 62 N 0.05 1.05 0.00 2.17 0.00 -1.26 -5.08 105.19 102.11 1x1g n GLY 62 Ca -0.01 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 3.15 3.34 -0.02 0.00 -1.26 -4.62 105.19 105.78 1x1g n GLY 63 Ca 0.00 -1.42 -0.18 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.42 1.62 0.48 1.61 -0.71 -0.97 -4.99 117.98 114.61 1x1g s PHE 64 Ca 0.00 -0.70 -0.20 0.00 -1.04 0.00 0.00 56.93 54.99 1x1g s PHE 64 Cb 0.00 -0.84 -0.09 0.00 -1.21 0.00 0.00 43.02 40.89 1x1g s PHE 64 CO 0.00 0.21 1.02 -1.12 -1.34 0.00 0.00 175.22 173.99 1x1g s SER 65 N -3.30 6.42 -0.19 1.98 0.01 -1.26 -2.87 113.70 114.48 1x1g s SER 65 Ca 0.23 1.87 0.12 0.00 1.31 0.00 0.00 55.95 59.49 1x1g s SER 65 Cb 0.02 -2.55 -0.20 0.00 0.21 0.00 0.00 66.02 63.50 1x1g s SER 65 CO 0.07 -0.73 0.00 0.18 0.41 0.00 0.00 173.24 173.17 1x1g n LEU 66 N -1.00 0.69 -0.37 2.44 4.77 -1.19 -4.26 117.00 118.08 1x1g n LEU 66 Ca 0.09 -0.03 -0.07 0.00 -0.03 0.00 0.00 56.01 55.97 1x1g n LEU 66 Cb 0.53 0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.72 1x1g n LEU 66 CO 0.40 0.54 0.47 0.54 -1.33 0.00 0.00 177.39 178.01 1x1g n ARG 67 N -2.77 -0.33 -1.60 3.23 3.00 -1.25 0.64 116.66 117.58 1x1g n ARG 67 Ca -0.31 1.39 -0.35 0.00 -0.01 0.00 0.00 57.85 58.57 1x1g n ARG 67 Cb 1.04 -2.05 0.06 0.00 0.00 0.00 0.00 32.46 31.51 1x1g n ARG 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1x1g n GLY 68 N -1.30 5.85 1.64 -0.13 0.00 -1.26 -4.53 105.19 105.45 1x1g n GLY 68 Ca 0.04 -2.41 -0.14 0.00 0.00 0.00 0.00 46.02 43.51 1x1g n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x1g n SER 69 N -0.79 2.45 -3.89 1.61 3.41 0.21 -1.73 113.62 114.89 1x1g n SER 69 Ca 0.58 -2.01 -0.09 0.00 -0.26 0.00 0.00 58.87 57.09 1x1g n SER 69 Cb 0.58 0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 64.70 1x1g n SER 69 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1x1g s LEU 70 N 0.00 0.09 -0.10 1.04 1.43 0.50 -4.85 118.68 116.80 1x1g s LEU 70 Ca 0.01 -0.71 -0.19 0.00 -1.03 0.00 0.00 54.13 52.21 1x1g s LEU 70 Cb 0.00 2.15 0.04 0.00 0.03 0.00 0.00 46.19 48.42 1x1g s LEU 70 CO 0.01 -1.18 0.46 0.54 0.23 0.00 0.00 176.35 176.41 1x1g s VAL 71 N -3.95 0.02 0.13 -1.59 0.11 -1.26 -1.96 120.40 111.90 1x1g s VAL 71 Ca 0.15 -0.16 -0.24 0.00 -2.93 0.00 0.00 61.98 58.80 1x1g s VAL 71 Cb -0.02 -0.72 0.07 0.00 -1.53 0.00 0.00 36.38 34.18 1x1g s VAL 71 CO 0.05 -0.09 0.67 -0.44 -3.33 0.00 0.00 175.10 171.97 1x1g s SER 72 N -0.59 -0.50 -0.06 3.54 0.01 -0.79 -4.95 113.70 110.35 1x1g s SER 72 Ca -0.07 -0.05 -0.15 0.00 1.31 0.00 0.00 55.95 57.00 1x1g s SER 72 Cb -0.03 0.56 -0.05 0.00 0.21 0.00 0.00 66.02 66.71 1x1g s SER 72 CO 0.04 -0.92 0.39 0.00 0.41 0.00 0.00 173.24 173.16 1x1g s ALA 73 N -3.62 3.64 -0.44 1.44 0.00 -1.26 0.35 121.76 121.86 1x1g s ALA 73 Ca 0.03 -0.28 -0.28 0.00 0.00 0.00 0.00 51.96 51.42 1x1g s ALA 73 Cb -0.01 -2.42 -0.00 0.00 0.00 0.00 0.00 23.12 20.68 1x1g s ALA 73 CO -0.11 0.30 1.60 -0.51 0.00 0.00 0.00 175.76 177.05 1x1g s LEU 74 N -0.39 3.48 0.00 0.00 1.43 -0.93 -4.89 118.68 117.39 1x1g s LEU 74 Ca 0.22 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 54.14 1x1g s LEU 74 Cb -0.15 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 42.77 1x1g s LEU 74 CO 0.10 -1.70 0.03 -1.84 0.23 0.00 0.00 176.35 173.17 1x1g n GLU 75 N 8.45 0.96 -2.81 1.70 0.28 -1.26 -4.69 120.64 123.27 1x1g n GLU 75 Ca 0.18 -0.12 -0.01 0.00 -0.16 0.00 0.00 57.16 57.05 1x1g n GLU 75 Cb 0.48 -0.01 0.00 0.00 1.43 0.00 0.00 31.44 33.34 1x1g n GLU 75 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1x1g n ASP 76 N -2.97 -7.79 -4.12 -1.84 -0.08 -1.26 -4.88 116.55 93.60 1x1g n ASP 76 Ca 0.01 1.21 -0.36 0.00 -1.51 0.00 0.00 54.79 54.15 1x1g n ASP 76 Cb 0.02 -4.70 0.07 0.00 2.34 0.00 0.00 41.12 38.85 1x1g n ASP 76 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1x1g n ASN 77 N 0.75 -4.04 0.00 1.67 3.02 -1.26 -4.81 115.26 110.59 1x1g n ASN 77 Ca 0.00 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 1x1g n ASN 77 Cb 0.11 -0.82 0.00 0.00 -0.61 0.00 0.00 39.78 38.46 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 2.88 0.83 3.67 7.41 0.00 -1.26 -4.92 105.19 113.80 1x1g n GLY 78 Ca 0.00 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 1x1g n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x1g s VAL 79 N -1.66 3.58 0.10 1.61 1.01 -1.26 -4.81 120.40 118.96 1x1g s VAL 79 Ca 0.00 0.81 -0.30 0.00 0.00 0.00 0.00 61.98 62.49 1x1g s VAL 79 Cb 0.00 -3.52 -0.06 0.00 0.00 0.00 0.00 36.38 32.79 1x1g s VAL 79 CO 0.00 -0.05 1.15 -2.16 0.00 0.00 0.00 175.10 174.04 1x1g s PRO 80 N 3.47 4.49 1.10 2.72 0.04 -1.26 -4.79 135.00 140.77 1x1g s PRO 80 Ca 0.70 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1x1g s PRO 80 Cb -0.33 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 30.88 1x1g s PRO 80 CO 0.28 -0.13 0.00 2.41 0.04 0.00 0.00 177.00 179.60 1x1g n THR 81 N 3.39 0.00 -2.57 1.26 -1.04 -1.26 -0.62 114.28 113.44 1x1g n THR 81 Ca 0.07 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.94 1x1g n THR 81 Cb 0.47 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.00 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 0.00 3.27 0.20 3.41 0.00 -1.26 -4.83 105.19 105.98 1x1g n GLY 82 Ca 0.00 -1.76 0.14 0.00 0.00 0.00 0.00 46.02 44.40 1x1g n GLY 82 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1x1g h VAL 83 N 3.39 0.00 -6.12 1.61 2.07 -1.20 -3.46 116.25 112.55 1x1g h VAL 83 Ca 0.05 -0.09 -0.33 0.00 0.82 0.00 0.00 66.70 67.15 1x1g h VAL 83 Cb 1.19 0.76 0.04 0.00 -1.52 0.00 0.00 31.29 31.76 1x1g h VAL 83 CO 0.54 0.00 -0.73 0.29 0.02 0.00 0.00 177.57 177.69 1x1g n LYS 84 N -2.48 -1.34 0.00 1.57 5.02 -1.26 -4.85 118.16 114.81 1x1g n LYS 84 Ca -0.01 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 1x1g n LYS 84 Cb 0.10 -4.12 0.00 0.00 -0.02 0.00 0.00 35.03 31.00 1x1g n LYS 84 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x1g n GLY 85 N -1.69 1.58 3.57 0.72 0.00 -1.26 -5.06 105.19 103.05 1x1g n GLY 85 Ca -0.13 -0.28 -0.65 0.00 0.00 0.00 0.00 46.02 44.97 1x1g n GLY 85 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x1g n ASN 86 N 0.00 1.08 -3.11 1.61 5.15 -1.26 -4.86 115.26 113.87 1x1g n ASN 86 Ca 0.00 1.05 -0.06 0.00 -0.60 0.00 0.00 54.58 54.97 1x1g n ASN 86 Cb 0.00 -0.87 0.06 0.00 -0.53 0.00 0.00 39.78 38.44 1x1g n ASN 86 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1x1g n VAL 87 N 4.54 0.00 0.00 3.44 0.24 -1.26 -4.98 118.33 120.32 1x1g n VAL 87 Ca 0.36 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.66 1x1g n VAL 87 Cb -0.05 -0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.12 1x1g n VAL 87 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x1g n GLN 88 N -1.91 0.00 0.00 7.34 1.13 -1.26 -5.00 117.38 117.69 1x1g n GLN 88 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1x1g n GLN 88 Cb 0.12 -0.04 0.00 0.00 0.11 0.00 0.00 30.24 30.43 1x1g n GLN 88 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1x1g n GLY 89 N 0.32 0.42 0.05 1.08 0.00 -1.26 -5.03 105.19 100.76 1x1g n GLY 89 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.00 -2.02 1.61 2.35 -1.94 -3.50 115.58 112.08 1x1g h ASN 90 Ca 0.00 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1x1g h ASN 90 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1x1g h ASN 90 CO 0.00 0.53 -0.04 0.18 -1.65 0.00 0.00 177.43 176.45 1x1g n LEU 91 N -4.03 0.00 -3.87 1.61 4.32 -1.26 -3.87 117.00 109.90 1x1g n LEU 91 Ca -0.04 0.12 -0.09 0.00 -0.02 0.00 0.00 56.01 55.97 1x1g n LEU 91 Cb 0.16 -0.34 -0.05 0.00 -1.62 0.00 0.00 43.42 41.57 1x1g n LEU 91 CO 0.06 -1.18 0.13 0.72 -1.22 0.00 0.00 177.39 175.90 1x1g s PHE 92 N -0.20 0.16 0.35 -1.77 -0.71 -1.09 -2.19 117.98 112.53 1x1g s PHE 92 Ca 0.00 -0.52 0.08 0.00 -1.04 0.00 0.00 56.93 55.45 1x1g s PHE 92 Cb 0.00 0.18 -0.07 0.00 -1.21 0.00 0.00 43.02 41.92 1x1g s PHE 92 CO 0.00 -0.84 -0.05 -1.59 -1.34 0.00 0.00 175.22 171.40 1x1g s LYS 93 N -3.93 1.79 -0.30 1.99 -2.85 0.15 -0.76 119.74 115.84 1x1g s LYS 93 Ca 0.14 -1.95 -0.01 0.00 -1.00 0.00 0.00 55.97 53.15 1x1g s LYS 93 Cb 0.01 -1.50 0.10 0.00 -2.06 0.00 0.00 37.83 34.37 1x1g s LYS 93 CO -0.00 0.04 0.09 0.08 0.10 0.00 0.00 175.35 175.66 1x1g s VAL 94 N -2.78 0.80 -0.30 1.79 1.01 0.13 -1.89 120.40 119.16 1x1g s VAL 94 Ca 0.33 -1.30 -0.24 0.00 0.00 0.00 0.00 61.98 60.76 1x1g s VAL 94 Cb 0.05 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.85 1x1g s VAL 94 CO 0.16 -0.65 0.83 -0.63 0.00 0.00 0.00 175.10 174.81 1x1g s ILE 95 N 1.66 4.77 0.00 2.22 1.01 -0.83 -0.44 121.20 129.59 1x1g s ILE 95 Ca 0.09 1.31 0.00 0.00 0.00 0.00 0.00 60.65 62.05 1x1g s ILE 95 Cb -0.17 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.12 1x1g s ILE 95 CO -0.25 -0.25 0.00 0.35 0.00 0.00 0.00 174.94 174.79 1x1g n THR 96 N 5.53 0.00 0.93 2.92 -2.24 -1.26 0.19 114.28 120.35 1x1g n THR 96 Ca 0.05 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.96 1x1g n THR 96 Cb 0.48 -1.57 0.57 0.00 -2.10 0.00 0.00 70.33 67.71 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 -0.66 0.03 -0.16 -0.78 2.85 -0.71 -2.21 118.16 116.52 1x1g n LYS 97 Ca 0.00 0.05 0.12 0.00 -1.05 0.00 0.00 58.31 57.42 1x1g n LYS 97 Cb 0.00 -1.50 0.19 0.00 -0.65 0.00 0.00 35.03 33.07 1x1g n LYS 97 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1x1g n ASP 98 N -1.49 3.37 -3.31 -5.58 9.92 -1.26 -4.94 116.55 113.27 1x1g n ASP 98 Ca 0.07 -1.98 -0.24 0.00 -0.53 0.00 0.00 54.79 52.11 1x1g n ASP 98 Cb 0.30 -0.21 0.03 0.00 -0.64 0.00 0.00 41.12 40.60 1x1g n ASP 98 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1x1g n ASP 99 N 1.45 -5.41 0.17 -2.24 2.03 -0.94 -4.89 116.55 106.72 1x1g n ASP 99 Ca 0.18 -0.42 -0.11 0.00 0.52 0.00 0.00 54.79 54.96 1x1g n ASP 99 Cb 0.60 -4.36 -0.06 0.00 -0.72 0.00 0.00 41.12 36.58 1x1g n ASP 99 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1x1g h THR 100 N -1.57 0.37 -3.01 5.18 2.02 -1.87 -3.46 112.91 110.56 1x1g h THR 100 Ca -0.52 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 65.98 1x1g h THR 100 Cb 1.35 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1x1g h THR 100 CO 0.57 0.08 -0.01 1.41 0.37 0.00 0.00 175.52 177.95 1x1g n HIS 101 N -5.13 -0.03 -3.62 3.16 -0.00 -1.18 -4.96 115.22 103.46 1x1g n HIS 101 Ca -0.08 0.01 -0.39 0.00 -0.00 0.00 0.00 57.72 57.26 1x1g n HIS 101 Cb 0.26 -1.52 -0.11 0.00 -0.00 0.00 0.00 29.99 28.63 1x1g n HIS 101 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1x1g s TYR 102 N -0.01 3.19 -0.36 4.41 2.02 0.42 -4.77 117.35 122.25 1x1g s TYR 102 Ca -0.00 -0.49 -0.28 0.00 -0.37 0.00 0.00 57.07 55.93 1x1g s TYR 102 Cb 0.00 -2.39 0.02 0.00 -0.40 0.00 0.00 41.96 39.19 1x1g s TYR 102 CO 0.00 -0.44 1.04 0.71 -1.57 0.00 0.00 175.55 175.30 1x1g s TYR 103 N 1.64 3.06 0.35 2.71 1.51 -1.26 0.17 117.35 125.52 1x1g s TYR 103 Ca 0.05 0.98 0.09 0.00 -1.01 0.00 0.00 57.07 57.18 1x1g s TYR 103 Cb -0.17 -3.83 -0.06 0.00 -0.11 0.00 0.00 41.96 37.79 1x1g s TYR 103 CO 0.07 -0.88 -0.02 0.42 -1.11 0.00 0.00 175.55 174.03 1x1g s ILE 104 N 3.76 2.46 0.25 2.71 1.01 0.06 -1.50 121.20 129.95 1x1g s ILE 104 Ca 0.44 -2.05 0.11 0.00 0.00 0.00 0.00 60.65 59.15 1x1g s ILE 104 Cb -0.11 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 1x1g s ILE 104 CO 0.20 -0.19 -0.20 -1.58 0.00 0.00 0.00 174.94 173.17 1x1g s GLN 105 N -3.68 1.58 0.13 2.79 0.74 -0.42 -2.67 119.66 118.12 1x1g s GLN 105 Ca 0.34 -1.67 0.08 0.00 0.05 0.00 0.00 55.36 54.16 1x1g s GLN 105 Cb 0.01 -1.67 -0.04 0.00 1.10 0.00 0.00 33.01 32.41 1x1g s GLN 105 CO 0.18 0.32 -0.13 0.00 -0.55 0.00 0.00 175.29 175.12 1x1g s ALA 106 N -2.37 2.86 0.18 1.58 0.00 -1.26 -3.12 121.76 119.63 1x1g s ALA 106 Ca 0.26 -1.34 -0.14 0.00 0.00 0.00 0.00 51.96 50.74 1x1g s ALA 106 Cb -0.05 -0.77 0.16 0.00 0.00 0.00 0.00 23.12 22.46 1x1g s ALA 106 CO 0.12 0.58 1.69 1.03 0.00 0.00 0.00 175.76 179.18 1x1g h SER 107 N 3.47 -0.20 -4.96 0.00 0.87 -1.90 -3.44 113.55 107.39 1x1g h SER 107 Ca -0.49 0.11 -0.18 0.00 -1.23 0.00 0.00 61.79 60.01 1x1g h SER 107 Cb 1.18 0.20 -0.17 0.00 -0.44 0.00 0.00 62.40 63.16 1x1g h SER 107 CO 0.51 -0.06 -0.70 -0.55 -0.53 0.00 0.00 176.83 175.50 1x1g s SER 108 N -5.26 0.65 0.39 6.23 0.15 -1.26 -4.98 113.70 109.62 1x1g s SER 108 Ca -0.13 -0.83 0.24 0.00 0.70 0.00 0.00 55.95 55.92 1x1g s SER 108 Cb 0.15 0.13 1.37 0.00 -1.71 0.00 0.00 66.02 65.96 1x1g s SER 108 CO 0.72 -0.45 1.59 0.50 1.20 0.00 0.00 173.24 176.80 1x1g h LYS 109 N 3.62 0.03 0.50 5.44 3.11 -2.01 0.53 116.57 127.79 1x1g h LYS 109 Ca -0.34 -0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.47 1x1g h LYS 109 Cb 1.17 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.40 1x1g h LYS 109 CO 0.57 0.02 -0.24 0.00 -2.81 0.00 0.00 179.45 176.98 1x1g h ALA 110 N 1.88 -0.67 -1.02 5.00 0.00 -1.96 -3.08 119.26 119.41 1x1g h ALA 110 Ca 0.85 -0.17 0.41 0.00 0.00 0.00 0.00 54.91 56.00 1x1g h ALA 110 Cb 2.36 0.26 -0.17 0.00 0.00 0.00 0.00 17.79 20.24 1x1g h ALA 110 CO -0.68 -0.66 0.57 -1.91 0.00 0.00 0.00 179.25 176.58 1x1g n GLU 111 N -5.23 -0.05 0.00 0.00 4.07 0.17 -0.85 120.64 118.75 1x1g n GLU 111 Ca -0.09 1.30 0.00 0.00 -0.06 0.00 0.00 57.16 58.31 1x1g n GLU 111 Cb 0.29 -2.38 0.00 0.00 -0.06 0.00 0.00 31.44 29.29 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 -5.08 0.00 -0.34 5.31 0.63 -0.29 0.14 116.66 117.03 1x1g n ARG 112 Ca 0.37 0.54 0.06 0.00 -0.92 0.00 0.00 57.85 57.90 1x1g n ARG 112 Cb 1.28 -1.45 0.14 0.00 0.45 0.00 0.00 32.46 32.88 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 -1.84 0.68 0.78 5.13 0.00 -0.96 0.93 119.26 123.98 1x1g h ALA 113 Ca 0.00 0.37 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1x1g h ALA 113 Cb 0.00 0.71 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1x1g h ALA 113 CO 0.00 -0.40 -0.47 0.93 0.00 0.00 0.00 179.25 179.31 1x1g h GLU 114 N 0.00 -1.13 -1.02 0.00 4.39 -1.03 1.22 114.58 117.02 1x1g h GLU 114 Ca 0.47 0.08 0.25 0.00 0.34 0.00 0.00 59.36 60.50 1x1g h GLU 114 Cb 0.74 0.26 -0.09 0.00 -0.10 0.00 0.00 28.75 29.56 1x1g h GLU 114 CO -0.97 -0.75 0.66 -1.49 -1.16 0.00 0.00 179.01 175.30 1x1g h TRP 115 N -1.17 0.65 0.00 4.33 4.06 0.41 0.35 115.95 124.59 1x1g h TRP 115 Ca -0.10 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.87 1x1g h TRP 115 Cb 0.94 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 28.90 1x1g h TRP 115 CO -0.10 0.08 0.00 -0.89 -3.56 0.00 0.00 178.44 173.97 1x1g n ILE 116 N -4.61 0.00 -0.25 1.49 5.41 0.29 -2.25 119.36 119.45 1x1g n ILE 116 Ca 0.24 0.70 0.18 0.00 1.00 0.00 0.00 62.75 64.88 1x1g n ILE 116 Cb 0.84 -1.45 0.35 0.00 -0.71 0.00 0.00 39.64 38.67 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 -1.33 -0.05 0.22 0.38 2.13 0.41 0.80 120.64 123.21 1x1g n GLU 117 Ca 0.00 1.07 -0.11 0.00 0.66 0.00 0.00 57.16 58.78 1x1g n GLU 117 Cb 0.00 -1.82 -0.06 0.00 0.27 0.00 0.00 31.44 29.84 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 1.49 -1.06 -0.66 4.31 0.00 -0.37 -1.83 119.26 121.13 1x1g h ALA 118 Ca 0.56 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.40 1x1g h ALA 118 Cb 1.36 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 19.50 1x1g h ALA 118 CO -0.63 -1.05 -0.51 0.82 0.00 0.00 0.00 179.25 177.87 1x1g h ILE 119 N -0.65 0.00 -0.88 0.00 2.04 0.86 0.28 117.51 119.16 1x1g h ILE 119 Ca -0.05 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.94 1x1g h ILE 119 Cb 0.53 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.47 1x1g h ILE 119 CO 0.02 0.00 -0.34 0.29 0.00 0.00 0.00 178.15 178.12 1x1g n LYS 120 N -5.04 -0.20 -0.29 2.37 4.01 -0.55 0.10 118.16 118.56 1x1g n LYS 120 Ca -0.00 1.35 -0.08 0.00 -0.51 0.00 0.00 58.31 59.06 1x1g n LYS 120 Cb 0.26 -2.00 -0.04 0.00 -0.51 0.00 0.00 35.03 32.74 1x1g n LYS 120 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 1x1g h LYS 121 N 0.00 -0.14 -0.04 1.97 1.57 0.42 0.11 116.57 120.47 1x1g h LYS 121 Ca 0.31 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.13 1x1g h LYS 121 Cb 0.53 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.81 1x1g h LYS 121 CO -0.87 -0.09 -0.37 -0.07 -0.57 0.00 0.00 179.45 177.48 1x1g h LEU 122 N -0.14 -1.12 -7.86 2.94 -0.00 0.10 -3.26 115.31 105.97 1x1g h LEU 122 Ca 0.20 0.15 -0.20 0.00 -0.00 0.00 0.00 57.88 58.03 1x1g h LEU 122 Cb 0.53 0.45 0.00 0.00 -0.00 0.00 0.00 40.66 41.65 1x1g h LEU 122 CO -0.80 -0.41 0.59 0.35 -0.00 0.00 0.00 178.44 178.16 1x1g n THR 123 N -5.43 0.70 -0.52 0.22 -2.24 0.37 -4.51 114.28 102.87 1x1g n THR 123 Ca -0.05 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1x1g n THR 123 Cb 0.35 -2.07 0.00 0.00 -2.10 0.00 0.00 70.33 66.51 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 16.61 -3.60 -4.64 3.42 2.88 -1.23 -4.85 113.62 122.19 1x1g n SER 124 Ca 0.43 0.40 -0.47 0.00 -1.33 0.00 0.00 58.87 57.90 1x1g n SER 124 Cb 0.46 -0.87 -0.04 0.00 -0.75 0.00 0.00 64.21 63.01 1x1g n SER 124 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1g n GLY 125 N -0.83 0.80 3.80 0.46 0.00 -1.25 -4.47 105.19 103.70 1x1g n GLY 125 Ca 0.00 0.62 -0.29 0.00 0.00 0.00 0.00 46.02 46.34 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 0.40 1.73 -0.17 1.61 0.04 -1.26 -5.04 135.00 132.32 1x1g s PRO 126 Ca 0.77 0.50 -0.03 0.00 0.04 0.00 0.00 61.00 62.28 1x1g s PRO 126 Cb -0.75 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 31.96 1x1g s PRO 126 CO 0.44 -1.83 0.05 0.45 0.04 0.00 0.00 177.00 176.14 1x1g s SER 127 N -3.96 2.53 -0.12 6.66 0.15 -1.26 -5.03 113.70 112.67 1x1g s SER 127 Ca 0.62 -0.64 -0.06 0.00 0.70 0.00 0.00 55.95 56.56 1x1g s SER 127 Cb -0.14 -0.47 -0.02 0.00 -1.71 0.00 0.00 66.02 63.67 1x1g s SER 127 CO 0.54 -0.30 -0.12 0.28 1.20 0.00 0.00 173.24 174.83 1x1g h SER 128 N 8.31 0.00 0.00 5.45 0.02 -2.06 -3.55 113.55 121.72 1x1g h SER 128 Ca -0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1x1g h SER 128 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1x1g h SER 128 CO 0.31 0.64 0.00 0.61 -1.14 0.00 0.00 176.83 177.24