#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1g s SER 2 N 0.00 -0.13 -0.30 1.61 0.15 -1.26 -5.13 113.70 108.64 1x1g s SER 2 Ca 0.00 0.59 -0.17 0.00 0.70 0.00 0.00 55.95 57.07 1x1g s SER 2 Cb 0.00 0.53 0.21 0.00 -1.71 0.00 0.00 66.02 65.05 1x1g s SER 2 CO 0.00 -0.19 1.27 -0.94 1.20 0.00 0.00 173.24 174.58 1x1g s SER 3 N 1.60 -0.07 -0.00 5.45 1.04 -1.26 -4.97 113.70 115.49 1x1g s SER 3 Ca -0.07 0.10 -0.00 0.00 0.48 0.00 0.00 55.95 56.47 1x1g s SER 3 Cb -0.11 1.05 -0.00 0.00 0.10 0.00 0.00 66.02 67.06 1x1g s SER 3 CO -0.09 -0.02 0.40 1.23 0.98 0.00 0.00 173.24 175.75 1x1g h GLY 4 N 5.80 -0.00 -4.45 7.32 0.00 -2.01 -3.46 103.07 106.27 1x1g h GLY 4 Ca -0.22 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.47 1x1g h GLY 4 CO 0.18 -0.00 -0.65 -0.45 0.00 0.00 0.00 176.54 175.61 1x1g s SER 5 N -2.62 5.10 0.17 0.19 0.15 -1.26 -5.02 113.70 110.41 1x1g s SER 5 Ca -0.00 -0.16 -0.28 0.00 0.70 0.00 0.00 55.95 56.21 1x1g s SER 5 Cb 0.00 -1.24 -0.00 0.00 -1.71 0.00 0.00 66.02 63.07 1x1g s SER 5 CO 0.00 0.17 1.55 -1.28 1.20 0.00 0.00 173.24 174.88 1x1g h SER 6 N 3.36 -1.84 0.00 5.45 0.87 -2.04 -3.46 113.55 115.89 1x1g h SER 6 Ca -0.47 0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1x1g h SER 6 Cb 1.17 0.82 0.00 0.00 -0.44 0.00 0.00 62.40 63.95 1x1g h SER 6 CO 0.61 -0.30 0.00 0.61 -0.53 0.00 0.00 176.83 177.22 1x1g n GLY 7 N -1.35 0.93 1.52 5.77 0.00 -1.26 -5.11 105.19 105.69 1x1g n GLY 7 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 0.45 -4.05 1.61 2.88 -1.26 -5.09 113.62 108.16 1x1g n SER 8 Ca 0.00 0.31 -0.30 0.00 -1.33 0.00 0.00 58.87 57.55 1x1g n SER 8 Cb 0.00 0.04 0.12 0.00 -0.75 0.00 0.00 64.21 63.62 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 -3.46 -2.38 -4.87 2.46 4.77 -1.26 -4.94 117.00 107.32 1x1g n LEU 9 Ca 0.00 -0.13 -0.37 0.00 -0.03 0.00 0.00 56.01 55.48 1x1g n LEU 9 Cb 0.00 -0.75 -0.06 0.00 -2.33 0.00 0.00 43.42 40.28 1x1g n LEU 9 CO 0.00 -2.86 -0.15 -0.94 -1.33 0.00 0.00 177.39 172.11 1x1g s SER 10 N -1.55 6.41 1.00 -1.43 1.04 -1.26 -5.06 113.70 112.84 1x1g s SER 10 Ca 0.44 0.50 -0.18 0.00 0.48 0.00 0.00 55.95 57.19 1x1g s SER 10 Cb -0.03 -2.08 -0.13 0.00 0.10 0.00 0.00 66.02 63.88 1x1g s SER 10 CO 0.57 0.39 -0.74 0.41 0.98 0.00 0.00 173.24 174.86 1x1g n THR 11 N 2.04 0.00 0.00 2.02 -1.04 -1.26 -4.96 114.28 111.08 1x1g n THR 11 Ca -0.19 -0.42 0.00 0.00 -2.04 0.00 0.00 64.05 61.40 1x1g n THR 11 Cb 0.55 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 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 -2.73 0.00 -0.34 12.58 3.14 -1.26 -4.71 118.33 125.01 1x1g n VAL 12 Ca -0.01 0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.46 1x1g n VAL 12 Cb 0.58 0.00 0.26 0.00 -1.06 0.00 0.00 33.84 33.61 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 0.82 -0.30 1.45 4.39 -1.99 1.09 114.58 120.05 1x1g h GLU 13 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1x1g h GLU 13 Cb 0.00 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 1x1g h GLU 13 CO 0.00 0.54 0.00 1.28 -1.16 0.00 0.00 179.01 179.67 1x1g n LEU 14 N -4.72 1.48 -2.87 1.33 7.99 -1.26 -4.11 117.00 114.85 1x1g n LEU 14 Ca 0.20 -0.74 -0.39 0.00 -0.01 0.00 0.00 56.01 55.06 1x1g n LEU 14 Cb 0.43 -0.20 0.04 0.00 -0.11 0.00 0.00 43.42 43.58 1x1g n LEU 14 CO 0.24 0.35 1.52 -0.24 -1.51 0.00 0.00 177.39 177.75 1x1g n SER 15 N 0.26 7.50 -4.39 -1.43 2.88 0.38 -4.95 113.62 113.86 1x1g n SER 15 Ca 0.09 -3.83 -0.22 0.00 -1.33 0.00 0.00 58.87 53.57 1x1g n SER 15 Cb 0.24 -1.05 -0.10 0.00 -0.75 0.00 0.00 64.21 62.55 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 -1.18 1.61 -0.10 0.46 0.00 -1.26 -3.98 107.32 102.87 1x1g s GLY 16 Ca 0.53 -1.69 -0.29 0.00 0.00 0.00 0.00 44.72 43.26 1x1g s GLY 16 CO -0.39 -1.77 1.59 -1.59 0.00 0.00 0.00 173.10 170.94 1x1g s THR 17 N -2.44 3.71 -0.03 0.90 2.01 0.23 -4.42 115.64 115.59 1x1g s THR 17 Ca 0.23 0.85 -0.35 0.00 0.31 0.00 0.00 61.69 62.73 1x1g s THR 17 Cb -0.04 -3.58 -0.13 0.00 0.01 0.00 0.00 72.50 68.76 1x1g s THR 17 CO 0.10 -0.11 1.78 0.52 -0.69 0.00 0.00 174.62 176.21 1x1g n VAL 18 N 5.64 0.39 -0.03 3.82 0.31 -1.26 0.25 118.33 127.44 1x1g n VAL 18 Ca 0.17 -0.07 -0.01 0.00 -0.01 0.00 0.00 64.34 64.42 1x1g n VAL 18 Cb 0.43 -1.71 -0.08 0.00 -0.91 0.00 0.00 33.84 31.58 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 4.58 0.42 -3.61 2.52 0.24 0.19 -4.88 118.33 117.80 1x1g n VAL 19 Ca 0.21 -0.34 -0.15 0.00 -2.04 0.00 0.00 64.34 62.02 1x1g n VAL 19 Cb 0.28 -0.40 -0.07 0.00 -1.47 0.00 0.00 33.84 32.18 1x1g n VAL 19 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1x1g s LYS 20 N -2.39 0.88 -0.01 7.34 2.47 -1.14 -5.00 119.74 121.89 1x1g s LYS 20 Ca -0.04 0.84 -0.10 0.00 -1.56 0.00 0.00 55.97 55.10 1x1g s LYS 20 Cb 0.04 0.43 0.01 0.00 -1.46 0.00 0.00 37.83 36.85 1x1g s LYS 20 CO 0.40 -0.15 0.21 -0.65 0.16 0.00 0.00 175.35 175.32 1x1g s GLN 21 N 0.05 0.55 0.00 4.03 -0.21 -1.26 0.20 119.66 123.02 1x1g s GLN 21 Ca -0.02 -0.30 0.00 0.00 0.02 0.00 0.00 55.36 55.05 1x1g s GLN 21 Cb -0.04 0.24 0.00 0.00 1.00 0.00 0.00 33.01 34.21 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 1.41 -0.83 3.25 3.09 0.00 -0.92 -5.02 105.19 106.18 1x1g n GLY 22 Ca -0.22 -1.15 -0.32 0.00 0.00 0.00 0.00 46.02 44.33 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 2.61 0.38 1.61 1.51 -1.26 -0.81 117.35 118.39 1x1g s TYR 23 Ca 0.00 -0.96 0.06 0.00 -1.01 0.00 0.00 57.07 55.16 1x1g s TYR 23 Cb 0.00 -1.74 -0.07 0.00 -0.11 0.00 0.00 41.96 40.04 1x1g s TYR 23 CO 0.00 -0.37 0.03 -0.51 -1.11 0.00 0.00 175.55 173.59 1x1g s LEU 24 N 0.33 2.59 -0.28 -1.29 1.43 0.19 -4.12 118.68 117.53 1x1g s LEU 24 Ca -0.17 -1.39 0.03 0.00 -1.03 0.00 0.00 54.13 51.57 1x1g s LEU 24 Cb -0.17 -0.69 0.07 0.00 0.03 0.00 0.00 46.19 45.42 1x1g s LEU 24 CO 0.08 -0.53 -0.06 0.00 0.23 0.00 0.00 176.35 176.07 1x1g s ALA 25 N -2.94 2.56 0.11 4.21 0.00 -1.16 0.20 121.76 124.74 1x1g s ALA 25 Ca 0.34 -1.91 -0.18 0.00 0.00 0.00 0.00 51.96 50.21 1x1g s ALA 25 Cb 0.09 -1.67 -0.07 0.00 0.00 0.00 0.00 23.12 21.48 1x1g s ALA 25 CO 0.16 -1.33 0.58 0.21 0.00 0.00 0.00 175.76 175.39 1x1g s LYS 26 N 1.09 4.15 -0.18 0.00 2.20 -0.91 -2.15 119.74 123.94 1x1g s LYS 26 Ca -0.03 0.69 -0.19 0.00 -0.36 0.00 0.00 55.97 56.07 1x1g s LYS 26 Cb -0.20 -3.13 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 1x1g s LYS 26 CO -0.06 0.57 0.56 -1.14 -0.36 0.00 0.00 175.35 174.92 1x1g s GLN 27 N -1.41 4.24 -0.16 4.03 0.74 -1.19 -3.09 119.66 122.82 1x1g s GLN 27 Ca 0.33 0.51 -0.22 0.00 0.05 0.00 0.00 55.36 56.02 1x1g s GLN 27 Cb -0.18 -3.54 0.06 0.00 1.10 0.00 0.00 33.01 30.44 1x1g s GLN 27 CO 0.19 -0.12 0.58 0.20 -0.55 0.00 0.00 175.29 175.59 1x1g s GLY 28 N 1.06 -0.44 1.16 2.59 0.00 -1.26 -4.90 107.32 105.54 1x1g s GLY 28 Ca 0.27 1.42 -0.17 0.00 0.00 0.00 0.00 44.72 46.23 1x1g s GLY 28 CO 0.10 1.17 0.32 -2.39 0.00 0.00 0.00 173.10 172.30 1x1g n HIS 29 N 2.16 -1.65 -1.53 1.90 1.44 -1.26 -4.77 115.22 111.52 1x1g n HIS 29 Ca -0.16 -0.02 0.08 0.00 -2.01 0.00 0.00 57.72 55.62 1x1g n HIS 29 Cb 0.56 -1.56 -0.05 0.00 0.12 0.00 0.00 29.99 29.07 1x1g n HIS 29 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1x1g n LYS 30 N -3.03 -3.79 -1.18 -1.40 3.00 -1.26 -4.98 118.16 105.52 1x1g n LYS 30 Ca 0.02 3.02 0.16 0.00 -0.00 0.00 0.00 58.31 61.51 1x1g n LYS 30 Cb 0.58 -4.01 -0.05 0.00 0.00 0.00 0.00 35.03 31.56 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 -3.47 -2.45 -0.92 1.64 3.00 -1.26 -4.81 116.66 108.39 1x1g n ARG 31 Ca -0.05 1.71 -0.35 0.00 -0.01 0.00 0.00 57.85 59.15 1x1g n ARG 31 Cb 0.59 -2.96 0.07 0.00 0.00 0.00 0.00 32.46 30.16 1x1g n ARG 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1x1g n LYS 32 N -3.78 -0.18 0.00 5.56 3.00 -1.26 -4.84 118.16 116.65 1x1g n LYS 32 Ca -0.01 -0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1x1g n LYS 32 Cb 0.54 -1.31 0.00 0.00 0.00 0.00 0.00 35.03 34.26 1x1g n LYS 32 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1x1g n ASN 33 N 1.68 0.00 -4.45 3.14 3.02 -1.26 -4.49 115.26 112.90 1x1g n ASN 33 Ca 0.01 0.86 -0.32 0.00 -0.03 0.00 0.00 54.58 55.10 1x1g n ASN 33 Cb 0.57 -0.36 -0.14 0.00 -0.61 0.00 0.00 39.78 39.25 1x1g n ASN 33 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1x1g s TRP 34 N -2.44 2.63 -0.09 3.10 0.52 -1.26 -4.24 118.94 117.16 1x1g s TRP 34 Ca 0.00 -0.21 0.01 0.00 0.02 0.00 0.00 56.10 55.92 1x1g s TRP 34 Cb 0.00 -1.60 -0.02 0.00 -1.15 0.00 0.00 33.47 30.70 1x1g s TRP 34 CO 0.00 0.15 -0.12 0.21 0.02 0.00 0.00 176.95 177.21 1x1g s LYS 35 N -0.73 2.91 0.01 4.98 2.20 -1.18 -4.99 119.74 122.95 1x1g s LYS 35 Ca 0.11 -0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 54.78 1x1g s LYS 35 Cb -0.10 -2.54 -0.03 0.00 -1.51 0.00 0.00 37.83 33.64 1x1g s LYS 35 CO 0.00 0.48 0.98 0.08 -0.36 0.00 0.00 175.35 176.54 1x1g s VAL 36 N -0.33 4.82 0.02 4.02 1.01 -1.26 -2.15 120.40 126.52 1x1g s VAL 36 Ca 0.04 2.04 0.02 0.00 0.00 0.00 0.00 61.98 64.08 1x1g s VAL 36 Cb -0.13 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 31.93 1x1g s VAL 36 CO 0.02 0.17 -0.06 -0.13 0.00 0.00 0.00 175.10 175.11 1x1g s ARG 37 N 0.93 0.43 -0.51 2.72 0.52 0.52 -4.59 118.95 118.97 1x1g s ARG 37 Ca 0.52 -0.44 -0.29 0.00 -0.52 0.00 0.00 55.73 55.00 1x1g s ARG 37 Cb -0.21 -0.29 0.03 0.00 0.52 0.00 0.00 34.95 34.99 1x1g s ARG 37 CO 0.28 0.07 1.20 0.50 0.02 0.00 0.00 175.30 177.37 1x1g s ARG 38 N -0.82 3.61 -0.04 3.54 3.52 0.14 0.56 118.95 129.46 1x1g s ARG 38 Ca -0.04 0.48 -0.08 0.00 -0.13 0.00 0.00 55.73 55.95 1x1g s ARG 38 Cb -0.06 -3.97 -0.05 0.00 -1.56 0.00 0.00 34.95 29.32 1x1g s ARG 38 CO 0.00 -1.54 0.25 -0.06 -0.81 0.00 0.00 175.30 173.13 1x1g s PHE 39 N 4.83 3.61 -0.03 5.12 0.40 0.01 0.81 117.98 132.73 1x1g s PHE 39 Ca 0.48 0.63 0.05 0.00 -0.60 0.00 0.00 56.93 57.49 1x1g s PHE 39 Cb -0.08 -2.02 -0.01 0.00 0.51 0.00 0.00 43.02 41.42 1x1g s PHE 39 CO 0.29 0.67 -0.18 0.54 0.70 0.00 0.00 175.22 177.24 1x1g s VAL 40 N -1.16 1.42 -0.11 -0.44 0.11 0.35 -2.16 120.40 118.41 1x1g s VAL 40 Ca 0.22 -0.75 0.01 0.00 -2.93 0.00 0.00 61.98 58.54 1x1g s VAL 40 Cb -0.13 -1.20 -0.02 0.00 -1.53 0.00 0.00 36.38 33.50 1x1g s VAL 40 CO 0.11 0.40 -0.15 -0.22 -3.33 0.00 0.00 175.10 171.92 1x1g s LEU 41 N -0.24 2.65 0.27 2.54 0.20 0.53 -1.76 118.68 122.87 1x1g s LEU 41 Ca 0.03 -0.32 0.03 0.00 0.69 0.00 0.00 54.13 54.56 1x1g s LEU 41 Cb -0.09 -1.57 -0.06 0.00 -0.43 0.00 0.00 46.19 44.04 1x1g s LEU 41 CO 0.00 0.21 0.04 -0.13 -0.29 0.00 0.00 176.35 176.18 1x1g s ARG 42 N 0.07 1.46 -0.07 1.98 0.52 -0.56 -0.64 118.95 121.72 1x1g s ARG 42 Ca -0.06 -1.77 -0.06 0.00 -0.52 0.00 0.00 55.73 53.31 1x1g s ARG 42 Cb -0.15 -0.64 0.02 0.00 0.52 0.00 0.00 34.95 34.70 1x1g s ARG 42 CO 0.05 -0.16 0.18 -1.59 0.02 0.00 0.00 175.30 173.80 1x1g s LYS 43 N -3.90 0.22 -0.56 3.54 -2.85 0.14 -3.20 119.74 113.13 1x1g s LYS 43 Ca 0.33 0.23 -0.19 0.00 -1.00 0.00 0.00 55.97 55.34 1x1g s LYS 43 Cb 0.07 0.11 0.03 0.00 -2.06 0.00 0.00 37.83 35.98 1x1g s LYS 43 CO 0.12 -0.03 0.64 -3.47 0.10 0.00 0.00 175.35 172.71 1x1g n ASP 44 N 2.93 -6.46 -4.80 0.03 2.03 -1.26 0.77 116.55 109.78 1x1g n ASP 44 Ca -0.13 -0.09 -0.30 0.00 0.52 0.00 0.00 54.79 54.80 1x1g n ASP 44 Cb 0.59 -3.33 0.10 0.00 -0.72 0.00 0.00 41.12 37.76 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 -3.05 1.79 -0.51 -0.67 0.04 -1.26 -3.88 135.00 127.47 1x1g s PRO 45 Ca 0.21 0.53 -0.17 0.00 0.04 0.00 0.00 61.00 61.61 1x1g s PRO 45 Cb -0.04 -1.89 0.08 0.00 0.04 0.00 0.00 34.50 32.69 1x1g s PRO 45 CO 0.83 -1.80 0.51 0.00 0.04 0.00 0.00 177.00 176.58 1x1g s ALA 46 N -3.20 3.51 0.10 8.56 0.00 -1.26 -4.55 121.76 124.93 1x1g s ALA 46 Ca 0.62 -2.10 -0.10 0.00 0.00 0.00 0.00 51.96 50.37 1x1g s ALA 46 Cb -0.14 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1x1g s ALA 46 CO 0.54 -1.93 0.23 -0.06 0.00 0.00 0.00 175.76 174.54 1x1g s PHE 47 N 2.02 0.13 -0.14 0.00 0.08 -1.19 -3.56 117.98 115.31 1x1g s PHE 47 Ca 0.08 -0.54 -0.02 0.00 0.12 0.00 0.00 56.93 56.57 1x1g s PHE 47 Cb -0.24 -0.01 0.05 0.00 -0.57 0.00 0.00 43.02 42.25 1x1g s PHE 47 CO 0.07 -0.59 0.03 -1.17 -0.10 0.00 0.00 175.22 173.46 1x1g s LEU 48 N -2.87 0.83 0.30 -0.37 2.96 -1.25 -1.50 118.68 116.79 1x1g s LEU 48 Ca 0.06 -0.49 0.11 0.00 -0.22 0.00 0.00 54.13 53.59 1x1g s LEU 48 Cb 0.04 -0.48 -0.05 0.00 0.50 0.00 0.00 46.19 46.20 1x1g s LEU 48 CO -0.10 -0.27 -0.11 -1.00 -1.32 0.00 0.00 176.35 173.55 1x1g s HIS 49 N 1.94 2.42 -0.04 5.38 3.76 -0.72 -3.09 115.29 124.94 1x1g s HIS 49 Ca 0.02 -0.36 -0.05 0.00 -0.15 0.00 0.00 55.06 54.52 1x1g s HIS 49 Cb -0.15 -1.18 0.01 0.00 1.11 0.00 0.00 32.58 32.37 1x1g s HIS 49 CO -0.07 0.64 0.13 1.52 -0.85 0.00 0.00 174.74 176.11 1x1g s TYR 50 N -2.50 -0.12 0.08 1.40 1.13 -1.26 0.13 117.35 116.21 1x1g s TYR 50 Ca 0.31 0.29 0.09 0.00 -1.41 0.00 0.00 57.07 56.35 1x1g s TYR 50 Cb -0.03 0.04 -0.04 0.00 -1.10 0.00 0.00 41.96 40.83 1x1g s TYR 50 CO 0.17 -0.09 -0.21 0.71 -2.51 0.00 0.00 175.55 173.62 1x1g s TYR 51 N -0.09 2.48 -0.15 -3.49 1.51 0.24 0.17 117.35 118.01 1x1g s TYR 51 Ca -0.02 -0.30 -0.27 0.00 -1.01 0.00 0.00 57.07 55.47 1x1g s TYR 51 Cb -0.02 -1.39 -0.01 0.00 -0.11 0.00 0.00 41.96 40.44 1x1g s TYR 51 CO 0.00 0.28 0.92 0.34 -1.11 0.00 0.00 175.55 175.98 1x1g s ASP 52 N -1.70 7.07 0.04 2.29 2.15 -1.26 -0.68 116.67 124.57 1x1g s ASP 52 Ca 0.15 1.32 -0.17 0.00 0.43 0.00 0.00 52.55 54.28 1x1g s ASP 52 Cb -0.10 -2.50 -0.21 0.00 -0.30 0.00 0.00 42.92 39.80 1x1g s ASP 52 CO 0.06 -0.45 1.17 1.55 -0.17 0.00 0.00 175.17 177.34 1x1g h PRO 53 N 7.26 0.54 -1.11 4.34 0.13 -1.95 -3.16 132.00 138.04 1x1g h PRO 53 Ca -0.29 -0.53 0.31 0.00 -0.87 0.00 0.00 66.00 64.62 1x1g h PRO 53 Cb 1.13 0.14 -0.07 0.00 0.13 0.00 0.00 31.00 32.33 1x1g h PRO 53 CO 0.86 1.16 0.76 1.03 -0.23 0.00 0.00 178.00 181.57 1x1g h SER 54 N 0.12 0.20 -5.92 1.44 0.87 -1.92 -3.40 113.55 104.94 1x1g h SER 54 Ca -0.08 0.04 -0.41 0.00 -1.23 0.00 0.00 61.79 60.11 1x1g h SER 54 Cb 1.37 0.01 0.04 0.00 -0.44 0.00 0.00 62.40 63.37 1x1g h SER 54 CO 0.14 0.03 -0.01 0.29 -0.53 0.00 0.00 176.83 176.75 1x1g n LYS 55 N -4.39 0.46 -3.51 2.24 4.76 -1.20 -5.08 118.16 111.44 1x1g n LYS 55 Ca 0.25 -2.58 -0.27 0.00 -2.87 0.00 0.00 58.31 52.85 1x1g n LYS 55 Cb 1.07 -0.32 -0.10 0.00 -1.84 0.00 0.00 35.03 33.85 1x1g n LYS 55 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1x1g n GLU 56 N -2.24 1.01 -3.80 1.97 1.02 -1.26 -4.92 120.64 112.42 1x1g n GLU 56 Ca 0.14 -3.73 -0.19 0.00 -0.02 0.00 0.00 57.16 53.37 1x1g n GLU 56 Cb 0.51 -1.84 -0.17 0.00 -0.02 0.00 0.00 31.44 29.92 1x1g n GLU 56 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1x1g s GLU 57 N -0.87 0.19 0.11 3.49 2.56 -1.26 -4.98 118.70 117.95 1x1g s GLU 57 Ca 0.32 0.19 -0.22 0.00 0.00 0.00 0.00 54.97 55.26 1x1g s GLU 57 Cb 0.05 -0.55 -0.08 0.00 2.00 0.00 0.00 34.13 35.55 1x1g s GLU 57 CO -0.16 -0.23 1.71 -0.97 -0.56 0.00 0.00 175.26 175.06 1x1g h ASN 58 N 7.82 -0.16 -3.77 -1.70 -0.73 -1.97 -3.43 115.58 111.64 1x1g h ASN 58 Ca -0.30 0.04 -0.57 0.00 1.87 0.00 0.00 56.30 57.35 1x1g h ASN 58 Cb 1.13 0.09 0.16 0.00 0.27 0.00 0.00 38.32 39.96 1x1g h ASN 58 CO 0.34 -0.07 0.29 0.54 -0.37 0.00 0.00 177.43 178.15 1x1g n ARG 59 N -5.17 1.04 -1.56 6.67 1.74 -1.26 -4.97 116.66 113.14 1x1g n ARG 59 Ca -0.05 0.40 -0.30 0.00 -0.77 0.00 0.00 57.85 57.13 1x1g n ARG 59 Cb 0.10 -2.31 0.07 0.00 -1.02 0.00 0.00 32.46 29.30 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 -2.94 2.48 0.19 5.56 0.04 -1.26 -4.78 135.00 134.28 1x1g s PRO 60 Ca 0.77 0.78 0.09 0.00 0.04 0.00 0.00 61.00 62.68 1x1g s PRO 60 Cb -0.41 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.21 1x1g s PRO 60 CO 0.45 -1.38 1.42 0.28 0.04 0.00 0.00 177.00 177.81 1x1g h VAL 61 N -0.92 1.58 0.00 -0.36 2.07 0.13 -3.47 116.25 115.29 1x1g h VAL 61 Ca -0.45 -2.86 0.00 0.00 0.82 0.00 0.00 66.70 64.20 1x1g h VAL 61 Cb 1.24 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 33.56 1x1g h VAL 61 CO 0.58 0.81 0.00 0.61 0.02 0.00 0.00 177.57 179.60 1x1g n GLY 62 N 0.89 3.66 0.00 2.17 0.00 -1.20 -5.05 105.19 105.66 1x1g n GLY 62 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 3.71 3.41 -0.02 0.00 -1.26 -4.33 105.19 106.70 1x1g n GLY 63 Ca 0.00 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 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 2.29 0.61 1.61 -0.71 -1.18 -5.00 117.98 115.61 1x1g s PHE 64 Ca 0.00 -0.37 -0.19 0.00 -1.04 0.00 0.00 56.93 55.33 1x1g s PHE 64 Cb 0.00 -1.16 -0.02 0.00 -1.21 0.00 0.00 43.02 40.63 1x1g s PHE 64 CO 0.00 0.46 1.32 -1.12 -1.34 0.00 0.00 175.22 174.54 1x1g s SER 65 N -2.52 4.84 -0.21 1.98 0.01 -1.26 -3.74 113.70 112.80 1x1g s SER 65 Ca 0.19 2.68 -0.04 0.00 1.31 0.00 0.00 55.95 60.09 1x1g s SER 65 Cb -0.08 -2.63 -0.11 0.00 0.21 0.00 0.00 66.02 63.41 1x1g s SER 65 CO 0.09 -1.85 -0.23 0.18 0.41 0.00 0.00 173.24 171.84 1x1g n LEU 66 N -1.59 2.26 -0.19 2.44 4.77 -1.23 -4.45 117.00 119.01 1x1g n LEU 66 Ca 0.14 0.07 -0.05 0.00 -0.03 0.00 0.00 56.01 56.14 1x1g n LEU 66 Cb 0.47 -0.67 -0.05 0.00 -2.33 0.00 0.00 43.42 40.85 1x1g n LEU 66 CO 0.49 0.65 0.43 0.54 -1.33 0.00 0.00 177.39 178.17 1x1g n ARG 67 N -3.51 -0.20 -1.78 3.23 5.12 -1.26 -0.11 116.66 118.14 1x1g n ARG 67 Ca -0.39 1.12 -0.34 0.00 -1.93 0.00 0.00 57.85 56.32 1x1g n ARG 67 Cb 0.84 -1.66 -0.03 0.00 -1.16 0.00 0.00 32.46 30.45 1x1g n ARG 67 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x1g n GLY 68 N -1.12 4.87 2.65 -0.13 0.00 -1.26 -4.10 105.19 106.10 1x1g n GLY 68 Ca 0.01 -2.03 -0.16 0.00 0.00 0.00 0.00 46.02 43.84 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 1.08 -0.63 -3.90 1.61 7.64 0.84 -1.82 113.62 118.44 1x1g n SER 69 Ca 0.54 -2.78 -0.10 0.00 1.01 0.00 0.00 58.87 57.55 1x1g n SER 69 Cb 0.40 1.43 -0.06 0.00 -1.01 0.00 0.00 64.21 64.97 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 0.71 -0.10 -3.43 1.98 0.30 -4.63 118.68 113.51 1x1g s LEU 70 Ca 0.32 -0.76 -0.13 0.00 -2.89 0.00 0.00 54.13 50.67 1x1g s LEU 70 Cb 0.01 1.46 0.03 0.00 0.66 0.00 0.00 46.19 48.36 1x1g s LEU 70 CO 0.23 -0.94 0.33 0.54 -1.89 0.00 0.00 176.35 174.62 1x1g s VAL 71 N -3.94 0.01 0.22 1.68 0.11 -1.26 -1.09 120.40 116.13 1x1g s VAL 71 Ca 0.15 -0.12 -0.16 0.00 -2.93 0.00 0.00 61.98 58.91 1x1g s VAL 71 Cb 0.02 -0.51 0.02 0.00 -1.53 0.00 0.00 36.38 34.38 1x1g s VAL 71 CO -0.01 -0.07 0.53 -0.44 -3.33 0.00 0.00 175.10 171.79 1x1g s SER 72 N -0.21 -0.21 0.27 3.54 0.01 0.66 -4.95 113.70 112.82 1x1g s SER 72 Ca -0.03 -0.63 0.05 0.00 1.31 0.00 0.00 55.95 56.64 1x1g s SER 72 Cb -0.03 0.60 -0.03 0.00 0.21 0.00 0.00 66.02 66.77 1x1g s SER 72 CO 0.01 -1.11 0.40 0.00 0.41 0.00 0.00 173.24 172.96 1x1g s ALA 73 N -3.92 3.93 -0.67 1.44 0.00 -1.26 0.54 121.76 121.83 1x1g s ALA 73 Ca 0.13 -1.21 -0.09 0.00 0.00 0.00 0.00 51.96 50.78 1x1g s ALA 73 Cb -0.01 -1.78 0.17 0.00 0.00 0.00 0.00 23.12 21.50 1x1g s ALA 73 CO 0.02 0.16 0.55 -0.51 0.00 0.00 0.00 175.76 175.98 1x1g s LEU 74 N -4.06 5.99 0.17 0.00 1.43 -0.69 -4.78 118.68 116.75 1x1g s LEU 74 Ca 0.36 -2.54 -0.15 0.00 -1.03 0.00 0.00 54.13 50.78 1x1g s LEU 74 Cb -0.09 -2.05 0.10 0.00 0.03 0.00 0.00 46.19 44.18 1x1g s LEU 74 CO 0.30 -0.54 1.76 -0.33 0.23 0.00 0.00 176.35 177.77 1x1g h GLU 75 N 7.72 0.34 -5.98 1.70 5.08 -1.96 -3.41 114.58 118.07 1x1g h GLU 75 Ca -0.02 -0.02 -0.73 0.00 -1.00 0.00 0.00 59.36 57.58 1x1g h GLU 75 Cb 1.02 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 1x1g h GLU 75 CO 0.78 0.23 1.36 -0.25 -1.00 0.00 0.00 179.01 180.12 1x1g n ASP 76 N -4.98 1.17 -4.55 1.42 8.00 -1.26 -4.85 116.55 111.50 1x1g n ASP 76 Ca 0.03 0.59 -0.30 0.00 0.71 0.00 0.00 54.79 55.82 1x1g n ASP 76 Cb 0.14 -1.01 0.21 0.00 -0.02 0.00 0.00 41.12 40.44 1x1g n ASP 76 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1x1g n ASN 77 N 8.29 -0.85 0.00 -2.24 5.15 -1.26 -4.35 115.26 120.01 1x1g n ASN 77 Ca 0.51 0.11 0.00 0.00 -0.60 0.00 0.00 54.58 54.60 1x1g n ASN 77 Cb 0.05 -1.35 0.00 0.00 -0.53 0.00 0.00 39.78 37.95 1x1g n ASN 77 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x1g n GLY 78 N 0.73 0.45 3.87 8.20 0.00 -1.26 -4.45 105.19 112.72 1x1g n GLY 78 Ca 0.07 0.72 -0.31 0.00 0.00 0.00 0.00 46.02 46.49 1x1g n GLY 78 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x1g s VAL 79 N 0.00 4.79 0.00 1.61 -7.23 -1.26 -3.73 120.40 114.58 1x1g s VAL 79 Ca 0.00 0.67 0.00 0.00 -1.81 0.00 0.00 61.98 60.84 1x1g s VAL 79 Cb 0.00 -3.66 0.00 0.00 0.56 0.00 0.00 36.38 33.28 1x1g s VAL 79 CO 0.00 -0.29 0.10 -0.81 -0.31 0.00 0.00 175.10 173.79 1x1g n PRO 80 N -0.70 0.00 0.02 4.82 -0.04 -1.26 -4.68 135.00 133.16 1x1g n PRO 80 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1x1g n PRO 80 Cb 0.53 -0.54 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1x1g n PRO 80 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1x1g n THR 81 N -0.41 0.04 -2.86 0.52 -1.04 -1.26 -4.70 114.28 104.57 1x1g n THR 81 Ca 0.00 0.01 -0.13 0.00 -2.04 0.00 0.00 64.05 61.89 1x1g n THR 81 Cb 0.00 -0.29 0.01 0.00 -1.82 0.00 0.00 70.33 68.23 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 1.88 2.52 3.89 3.41 0.00 -1.26 -5.10 105.19 110.53 1x1g n GLY 82 Ca 0.00 -1.52 -0.35 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.97 5.46 0.19 1.61 1.01 -1.26 -5.03 120.40 119.42 1x1g s VAL 83 Ca 0.33 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 62.06 1x1g s VAL 83 Cb 0.41 -3.45 -0.17 0.00 0.00 0.00 0.00 36.38 33.17 1x1g s VAL 83 CO -0.02 0.49 0.63 0.29 0.00 0.00 0.00 175.10 176.50 1x1g n LYS 84 N 1.53 0.18 0.00 2.72 4.76 -1.26 -4.40 118.16 121.69 1x1g n LYS 84 Ca -0.16 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 1x1g n LYS 84 Cb 0.54 -1.16 0.00 0.00 -1.84 0.00 0.00 35.03 32.57 1x1g n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x1g n GLY 85 N 1.87 2.55 3.31 0.72 0.00 -1.26 -4.68 105.19 107.71 1x1g n GLY 85 Ca 0.17 0.19 -0.26 0.00 0.00 0.00 0.00 46.02 46.12 1x1g n GLY 85 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x1g n ASN 86 N 2.47 1.49 -3.98 1.61 0.23 -1.26 -4.94 115.26 110.88 1x1g n ASN 86 Ca 0.00 -3.13 -0.09 0.00 -0.53 0.00 0.00 54.58 50.83 1x1g n ASN 86 Cb 0.00 0.93 -0.08 0.00 -2.08 0.00 0.00 39.78 38.55 1x1g n ASN 86 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1x1g s VAL 87 N -3.02 0.11 0.00 3.53 1.01 -1.24 -4.99 120.40 115.80 1x1g s VAL 87 Ca 0.18 -1.48 0.00 0.00 0.00 0.00 0.00 61.98 60.68 1x1g s VAL 87 Cb 0.01 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.68 1x1g s VAL 87 CO 0.13 -0.51 0.00 0.00 0.00 0.00 0.00 175.10 174.72 1x1g n GLN 88 N -0.11 1.44 -4.70 2.72 6.02 -1.26 -4.31 117.38 117.17 1x1g n GLN 88 Ca -0.10 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.66 1x1g n GLN 88 Cb 0.63 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.74 1x1g n GLN 88 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1x1g s GLY 89 N -0.76 0.79 -0.18 1.08 0.00 -1.26 -4.27 107.32 102.72 1x1g s GLY 89 Ca 0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 44.72 44.00 1x1g s GLY 89 CO 0.00 -0.60 0.15 0.70 0.00 0.00 0.00 173.10 173.35 1x1g n ASN 90 N 2.58 -2.52 -3.26 1.64 3.02 -1.26 -4.91 115.26 110.55 1x1g n ASN 90 Ca -0.15 -0.11 -0.10 0.00 -0.03 0.00 0.00 54.58 54.19 1x1g n ASN 90 Cb 0.55 -1.25 0.02 0.00 -0.61 0.00 0.00 39.78 38.48 1x1g n ASN 90 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1x1g n LEU 91 N -1.69 0.00 -3.58 3.41 4.32 -1.26 -4.65 117.00 113.55 1x1g n LEU 91 Ca -0.02 -1.17 -0.17 0.00 -0.02 0.00 0.00 56.01 54.63 1x1g n LEU 91 Cb 0.52 -0.10 -0.07 0.00 -1.62 0.00 0.00 43.42 42.15 1x1g n LEU 91 CO 0.10 -0.50 0.33 0.72 -1.22 0.00 0.00 177.39 176.82 1x1g s PHE 92 N -0.88 -0.53 0.31 -1.77 -0.12 -1.12 -1.70 117.98 112.17 1x1g s PHE 92 Ca 0.20 0.90 0.10 0.00 -0.05 0.00 0.00 56.93 58.08 1x1g s PHE 92 Cb -0.02 0.33 -0.05 0.00 -0.63 0.00 0.00 43.02 42.65 1x1g s PHE 92 CO 0.13 -0.55 -0.06 -1.59 -0.05 0.00 0.00 175.22 173.09 1x1g s LYS 93 N -1.22 1.98 -0.24 1.99 -2.85 0.19 -1.25 119.74 118.33 1x1g s LYS 93 Ca -0.12 -1.71 -0.00 0.00 -1.00 0.00 0.00 55.97 53.14 1x1g s LYS 93 Cb -0.01 -1.90 0.07 0.00 -2.06 0.00 0.00 37.83 33.92 1x1g s LYS 93 CO 0.08 0.24 -0.01 0.08 0.10 0.00 0.00 175.35 175.84 1x1g s VAL 94 N -2.49 1.25 -0.49 1.79 1.01 0.11 -0.24 120.40 121.34 1x1g s VAL 94 Ca 0.32 -1.14 -0.23 0.00 0.00 0.00 0.00 61.98 60.93 1x1g s VAL 94 Cb -0.02 -1.64 0.03 0.00 0.00 0.00 0.00 36.38 34.75 1x1g s VAL 94 CO 0.18 -0.22 0.83 -0.63 0.00 0.00 0.00 175.10 175.26 1x1g s ILE 95 N 1.51 4.57 0.59 2.22 1.01 -0.25 0.49 121.20 131.34 1x1g s ILE 95 Ca -0.02 0.30 -0.08 0.00 0.00 0.00 0.00 60.65 60.85 1x1g s ILE 95 Cb -0.18 -4.40 0.13 0.00 0.01 0.00 0.00 42.46 38.02 1x1g s ILE 95 CO -0.09 -0.86 0.81 0.35 0.00 0.00 0.00 174.94 175.15 1x1g n THR 96 N 6.12 0.00 0.29 2.92 -2.24 -1.26 0.11 114.28 120.22 1x1g n THR 96 Ca 0.01 -0.71 0.17 0.00 -2.27 0.00 0.00 64.05 61.26 1x1g n THR 96 Cb 0.48 -1.56 0.81 0.00 -2.10 0.00 0.00 70.33 67.96 1x1g n THR 96 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1x1g h LYS 97 N 0.00 0.00 -0.66 -0.78 2.10 -1.73 -0.14 116.57 115.36 1x1g h LYS 97 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1x1g h LYS 97 Cb 0.77 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.10 1x1g h LYS 97 CO 0.20 0.04 0.00 -0.25 -2.00 0.00 0.00 179.45 177.44 1x1g n ASP 98 N -3.20 3.79 -4.42 7.07 9.92 -1.26 -4.89 116.55 123.56 1x1g n ASP 98 Ca -0.01 -2.45 -0.37 0.00 -0.53 0.00 0.00 54.79 51.43 1x1g n ASP 98 Cb 0.24 -0.55 -0.08 0.00 -0.64 0.00 0.00 41.12 40.10 1x1g n ASP 98 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1x1g n ASP 99 N 0.58 -0.76 -0.05 -2.24 8.00 -0.07 -4.82 116.55 117.20 1x1g n ASP 99 Ca 0.18 -1.24 -0.12 0.00 0.71 0.00 0.00 54.79 54.32 1x1g n ASP 99 Cb 0.76 -1.71 -0.11 0.00 -0.02 0.00 0.00 41.12 40.04 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 -1.30 1.48 -3.36 -3.53 2.02 -1.86 -3.46 112.91 102.89 1x1g h THR 100 Ca -0.62 -1.90 0.00 0.00 0.77 0.00 0.00 66.41 64.66 1x1g h THR 100 Cb 1.39 2.69 -0.00 0.00 -1.74 0.00 0.00 68.15 70.49 1x1g h THR 100 CO 0.81 0.46 -0.18 1.41 0.37 0.00 0.00 175.52 178.39 1x1g n HIS 101 N -4.70 -0.69 -3.33 3.16 8.25 -1.12 -4.95 115.22 111.84 1x1g n HIS 101 Ca -0.09 0.32 -0.40 0.00 -0.26 0.00 0.00 57.72 57.29 1x1g n HIS 101 Cb 0.38 -1.93 -0.09 0.00 1.12 0.00 0.00 29.99 29.47 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 -0.26 3.22 -0.13 4.41 2.02 0.18 -4.74 117.35 122.05 1x1g s TYR 102 Ca -0.01 0.29 -0.23 0.00 -0.37 0.00 0.00 57.07 56.75 1x1g s TYR 102 Cb 0.00 -2.70 -0.03 0.00 -0.40 0.00 0.00 41.96 38.83 1x1g s TYR 102 CO 0.13 -0.36 0.72 0.71 -1.57 0.00 0.00 175.55 175.19 1x1g s TYR 103 N 2.17 3.48 0.20 2.71 1.51 -1.26 0.05 117.35 126.21 1x1g s TYR 103 Ca 0.16 1.17 0.01 0.00 -1.01 0.00 0.00 57.07 57.41 1x1g s TYR 103 Cb -0.16 -2.87 -0.05 0.00 -0.11 0.00 0.00 41.96 38.77 1x1g s TYR 103 CO 0.11 -0.08 0.04 0.42 -1.11 0.00 0.00 175.55 174.93 1x1g s ILE 104 N 1.51 0.61 0.11 2.71 1.01 -0.38 -3.16 121.20 123.60 1x1g s ILE 104 Ca 0.36 -1.99 0.07 0.00 0.00 0.00 0.00 60.65 59.09 1x1g s ILE 104 Cb -0.17 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 1x1g s ILE 104 CO 0.14 -0.29 -0.17 -1.58 0.00 0.00 0.00 174.94 173.04 1x1g s GLN 105 N -3.97 1.03 0.15 2.79 2.00 -0.91 -2.79 119.66 117.97 1x1g s GLN 105 Ca 0.29 -1.16 0.06 0.00 -2.00 0.00 0.00 55.36 52.55 1x1g s GLN 105 Cb 0.07 -1.10 -0.04 0.00 0.80 0.00 0.00 33.01 32.73 1x1g s GLN 105 CO 0.08 0.24 0.08 0.00 -0.50 0.00 0.00 175.29 175.18 1x1g s ALA 106 N -1.56 3.43 0.20 1.58 0.00 -1.26 -2.97 121.76 121.18 1x1g s ALA 106 Ca 0.06 -1.24 -0.11 0.00 0.00 0.00 0.00 51.96 50.67 1x1g s ALA 106 Cb -0.08 -1.24 0.22 0.00 0.00 0.00 0.00 23.12 22.02 1x1g s ALA 106 CO 0.04 0.54 1.75 0.77 0.00 0.00 0.00 175.76 178.85 1x1g h SER 107 N 2.66 0.23 -4.01 0.00 0.02 -1.91 -3.44 113.55 107.11 1x1g h SER 107 Ca -0.47 0.06 -0.34 0.00 -0.84 0.00 0.00 61.79 60.20 1x1g h SER 107 Cb 1.19 0.04 -0.14 0.00 0.14 0.00 0.00 62.40 63.63 1x1g h SER 107 CO 0.61 0.15 -0.68 -0.55 -1.14 0.00 0.00 176.83 175.22 1x1g s SER 108 N -5.41 1.72 0.29 3.07 0.15 -1.26 -5.00 113.70 107.26 1x1g s SER 108 Ca -0.13 -1.12 0.03 0.00 0.70 0.00 0.00 55.95 55.43 1x1g s SER 108 Cb 0.16 0.02 0.67 0.00 -1.71 0.00 0.00 66.02 65.15 1x1g s SER 108 CO 0.74 -0.44 1.75 0.50 1.20 0.00 0.00 173.24 176.99 1x1g h LYS 109 N 2.65 0.62 0.13 5.44 3.64 -1.89 -0.72 116.57 126.44 1x1g h LYS 109 Ca -0.37 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.96 1x1g h LYS 109 Cb 1.21 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1x1g h LYS 109 CO 0.64 0.41 -0.06 0.00 -2.27 0.00 0.00 179.45 178.16 1x1g h ALA 110 N 1.63 -0.18 -1.01 5.00 0.00 -1.95 -3.06 119.26 119.69 1x1g h ALA 110 Ca 0.54 -0.22 0.42 0.00 0.00 0.00 0.00 54.91 55.65 1x1g h ALA 110 Cb 0.86 0.07 -0.17 0.00 0.00 0.00 0.00 17.79 18.54 1x1g h ALA 110 CO -0.41 -0.36 0.55 -1.91 0.00 0.00 0.00 179.25 177.12 1x1g n GLU 111 N -4.96 -0.06 0.00 0.00 4.07 -0.37 -0.96 120.64 118.36 1x1g n GLU 111 Ca -0.09 1.35 0.00 0.00 -0.06 0.00 0.00 57.16 58.36 1x1g n GLU 111 Cb 0.25 -2.43 0.00 0.00 -0.06 0.00 0.00 31.44 29.20 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 -5.18 0.00 -0.39 5.31 0.63 -0.65 0.70 116.66 117.07 1x1g n ARG 112 Ca 0.37 0.40 0.36 0.00 -0.92 0.00 0.00 57.85 58.06 1x1g n ARG 112 Cb 1.29 -1.40 0.63 0.00 0.45 0.00 0.00 32.46 33.43 1x1g n ARG 112 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1x1g n ALA 113 N -1.69 1.19 0.10 5.13 0.00 -0.25 0.14 120.51 125.13 1x1g n ALA 113 Ca 0.00 0.94 -0.13 0.00 0.00 0.00 0.00 53.44 54.25 1x1g n ALA 113 Cb 0.00 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.33 1x1g n ALA 113 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1x1g h GLU 114 N 0.00 -0.27 -0.07 0.00 5.08 -0.75 0.24 114.58 118.80 1x1g h GLU 114 Ca 0.86 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 59.26 1x1g h GLU 114 Cb 2.53 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 31.84 1x1g h GLU 114 CO -0.61 0.09 0.05 -1.49 -1.00 0.00 0.00 179.01 176.05 1x1g h TRP 115 N -0.69 0.00 0.00 4.33 4.06 0.69 0.34 115.95 124.68 1x1g h TRP 115 Ca -0.03 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.92 1x1g h TRP 115 Cb 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.64 1x1g h TRP 115 CO 0.04 0.00 0.00 -0.89 -3.56 0.00 0.00 178.44 174.03 1x1g n ILE 116 N -4.49 0.00 -0.28 1.49 5.41 0.36 -2.26 119.36 119.59 1x1g n ILE 116 Ca -0.01 0.55 0.26 0.00 1.00 0.00 0.00 62.75 64.54 1x1g n ILE 116 Cb 0.16 -1.12 0.48 0.00 -0.71 0.00 0.00 39.64 38.45 1x1g n ILE 116 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1x1g n GLU 117 N -0.93 -0.05 0.15 0.38 2.13 0.82 0.30 120.64 123.44 1x1g n GLU 117 Ca 0.00 1.21 -0.09 0.00 0.66 0.00 0.00 57.16 58.94 1x1g n GLU 117 Cb 0.00 -2.14 -0.05 0.00 0.27 0.00 0.00 31.44 29.52 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 1.73 -0.97 -0.59 4.31 0.00 -1.00 -0.65 119.26 122.09 1x1g h ALA 118 Ca 0.71 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.61 1x1g h ALA 118 Cb 1.85 0.45 -0.11 0.00 0.00 0.00 0.00 17.79 19.99 1x1g h ALA 118 CO -0.68 -0.98 -0.44 0.82 0.00 0.00 0.00 179.25 177.97 1x1g h ILE 119 N -0.50 0.09 -0.90 0.00 2.04 0.29 0.21 117.51 118.73 1x1g h ILE 119 Ca -0.03 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.98 1x1g h ILE 119 Cb 0.43 0.09 -0.16 0.00 -0.74 0.00 0.00 36.82 36.43 1x1g h ILE 119 CO -0.01 0.00 -0.33 0.11 0.00 0.00 0.00 178.15 177.92 1x1g h LYS 120 N -0.22 -0.03 -0.87 2.37 1.57 -1.01 0.28 116.57 118.66 1x1g h LYS 120 Ca 0.18 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.04 1x1g h LYS 120 Cb 0.56 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.77 1x1g h LYS 120 CO -0.69 -0.02 -0.57 0.87 -0.57 0.00 0.00 179.45 178.47 1x1g h LYS 121 N -0.03 -0.07 -0.23 3.15 1.57 0.10 0.30 116.57 121.36 1x1g h LYS 121 Ca 0.36 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.20 1x1g h LYS 121 Cb 0.61 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.88 1x1g h LYS 121 CO -0.92 -0.05 -0.18 -0.07 -0.57 0.00 0.00 179.45 177.66 1x1g h LEU 122 N -0.07 -0.59-10.52 2.94 -0.00 -0.29 -3.42 115.31 103.35 1x1g h LEU 122 Ca 0.14 0.12 -0.42 0.00 -0.00 0.00 0.00 57.88 57.72 1x1g h LEU 122 Cb 0.44 0.29 0.18 0.00 -0.00 0.00 0.00 40.66 41.57 1x1g h LEU 122 CO -0.86 -0.22 0.22 0.42 -0.00 0.00 0.00 178.44 178.00 1x1g s THR 123 N -6.13 1.71 -0.32 0.22 -4.23 0.11 -4.55 115.64 102.45 1x1g s THR 123 Ca -0.14 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.21 1x1g s THR 123 Cb 0.12 -2.64 -0.02 0.00 1.34 0.00 0.00 72.50 71.30 1x1g s THR 123 CO 0.68 0.00 0.42 -0.94 -0.54 0.00 0.00 174.62 174.24 1x1g s SER 124 N -4.19 6.25 0.00 3.99 1.04 -1.25 -4.84 113.70 114.69 1x1g s SER 124 Ca 0.72 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 57.14 1x1g s SER 124 Cb -0.08 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.82 1x1g s SER 124 CO 0.55 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 175.04 1x1g n GLY 125 N 4.82 0.86 3.75 7.32 0.00 -1.26 -5.05 105.19 115.61 1x1g n GLY 125 Ca -0.07 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 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 0.36 4.62 0.21 1.61 0.04 -1.26 -4.75 135.00 135.83 1x1g s PRO 126 Ca 0.00 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1x1g s PRO 126 Cb 0.00 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1x1g s PRO 126 CO 0.00 0.14 0.00 0.45 0.04 0.00 0.00 177.00 177.63 1x1g n SER 127 N 1.82 -1.91 -4.31 6.66 2.88 -1.26 -4.79 113.62 112.72 1x1g n SER 127 Ca 0.01 0.64 -0.37 0.00 -1.33 0.00 0.00 58.87 57.82 1x1g n SER 127 Cb 0.45 2.02 0.04 0.00 -0.75 0.00 0.00 64.21 65.97 1x1g n SER 127 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x1g n SER 128 N -3.13 -2.88 0.00 -3.46 3.41 -1.26 -5.16 113.62 101.15 1x1g n SER 128 Ca 0.00 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 1x1g n SER 128 Cb 0.00 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 62.94 1x1g n SER 128 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49