#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 7.09 0.00 1.61 0.01 -1.26 -4.87 113.70 116.29 1x1g s SER 2 Ca 0.00 1.82 0.00 0.00 1.31 0.00 0.00 55.95 59.08 1x1g s SER 2 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1x1g s SER 2 CO 0.00 -0.25 0.00 -1.54 0.41 0.00 0.00 173.24 171.86 1x1g n SER 3 N 0.02 0.00 -4.66 2.44 3.41 -1.26 -5.11 113.62 108.47 1x1g n SER 3 Ca 0.04 0.00 -0.48 0.00 -0.26 0.00 0.00 58.87 58.18 1x1g n SER 3 Cb 0.51 0.45 -0.05 0.00 -0.26 0.00 0.00 64.21 64.86 1x1g n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x1g n GLY 4 N -1.49 1.03 0.09 5.00 0.00 -1.26 -4.91 105.19 103.64 1x1g n GLY 4 Ca 0.00 0.70 -0.10 0.00 0.00 0.00 0.00 46.02 46.62 1x1g n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x1g n SER 5 N 3.68 1.88 -1.26 1.61 7.64 -1.26 -5.11 113.62 120.80 1x1g n SER 5 Ca 0.18 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.53 1x1g n SER 5 Cb 0.26 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 1x1g n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x1g n SER 6 N -4.51 -7.03 -3.64 6.43 2.88 -1.26 -5.08 113.62 101.41 1x1g n SER 6 Ca -0.16 0.95 -0.04 0.00 -1.33 0.00 0.00 58.87 58.29 1x1g n SER 6 Cb 0.45 -3.33 -0.07 0.00 -0.75 0.00 0.00 64.21 60.52 1x1g n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x1g s GLY 7 N -2.36 -0.04 -0.32 0.46 0.00 -1.26 -5.13 107.32 98.67 1x1g s GLY 7 Ca 0.00 3.05 0.03 0.00 0.00 0.00 0.00 44.72 47.81 1x1g s GLY 7 CO 0.00 2.46 0.02 -0.56 0.00 0.00 0.00 173.10 175.02 1x1g s SER 8 N 1.16 4.62 -0.30 1.64 0.01 -1.26 -5.04 113.70 114.53 1x1g s SER 8 Ca -0.07 -1.95 -0.12 0.00 1.31 0.00 0.00 55.95 55.12 1x1g s SER 8 Cb -0.04 -1.54 0.17 0.00 0.21 0.00 0.00 66.02 64.82 1x1g s SER 8 CO -0.14 -0.34 0.90 -0.22 0.41 0.00 0.00 173.24 173.85 1x1g s LEU 9 N 1.01 -0.75 0.87 2.44 0.20 -1.26 -5.15 118.68 116.04 1x1g s LEU 9 Ca 0.07 0.79 -0.16 0.00 0.69 0.00 0.00 54.13 55.52 1x1g s LEU 9 Cb -0.19 1.76 -0.08 0.00 -0.43 0.00 0.00 46.19 47.24 1x1g s LEU 9 CO -0.09 -0.14 -0.17 -1.54 -0.29 0.00 0.00 176.35 174.12 1x1g n SER 10 N 5.22 -3.88 -4.47 3.68 3.41 -1.26 -4.93 113.62 111.40 1x1g n SER 10 Ca -0.08 0.35 -0.29 0.00 -0.26 0.00 0.00 58.87 58.60 1x1g n SER 10 Cb 0.52 -0.97 0.20 0.00 -0.26 0.00 0.00 64.21 63.71 1x1g n SER 10 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1x1g s THR 11 N -2.08 1.91 0.00 6.66 2.01 -1.26 -5.02 115.64 117.86 1x1g s THR 11 Ca 0.51 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.51 1x1g s THR 11 Cb -0.26 -2.45 0.00 0.00 0.01 0.00 0.00 72.50 69.80 1x1g s THR 11 CO 0.72 0.00 0.00 0.55 -0.69 0.00 0.00 174.62 175.20 1x1g n VAL 12 N -4.41 0.00 -0.12 3.82 3.14 -1.26 -4.79 118.33 114.70 1x1g n VAL 12 Ca 0.06 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.40 1x1g n VAL 12 Cb 0.58 0.00 0.15 0.00 -1.06 0.00 0.00 33.84 33.51 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 -0.05 1.45 5.08 -2.00 -0.64 114.58 119.25 1x1g h GLU 13 Ca 0.00 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1x1g h GLU 13 Cb 0.00 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1x1g h GLU 13 CO 0.00 0.81 0.00 1.28 -1.00 0.00 0.00 179.01 180.10 1x1g n LEU 14 N -4.22 0.45 -3.54 1.33 7.99 -1.26 -4.14 117.00 113.60 1x1g n LEU 14 Ca 0.03 -0.19 -0.40 0.00 -0.01 0.00 0.00 56.01 55.43 1x1g n LEU 14 Cb 0.29 -0.03 0.01 0.00 -0.11 0.00 0.00 43.42 43.58 1x1g n LEU 14 CO 0.41 0.10 1.74 -0.24 -1.51 0.00 0.00 177.39 177.89 1x1g n SER 15 N -0.47 7.57 -4.18 -1.43 2.88 -0.25 -4.94 113.62 112.81 1x1g n SER 15 Ca 0.13 -3.52 -0.15 0.00 -1.33 0.00 0.00 58.87 54.00 1x1g n SER 15 Cb 0.13 -1.23 -0.11 0.00 -0.75 0.00 0.00 64.21 62.25 1x1g n SER 15 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x1g s GLY 16 N -0.78 0.85 0.00 0.46 0.00 -1.26 -3.79 107.32 102.81 1x1g s GLY 16 Ca 0.44 -1.14 -0.30 0.00 0.00 0.00 0.00 44.72 43.73 1x1g s GLY 16 CO -0.13 -1.20 1.57 -1.59 0.00 0.00 0.00 173.10 171.75 1x1g s THR 17 N -2.12 3.44 0.06 0.90 2.01 0.22 -4.46 115.64 115.71 1x1g s THR 17 Ca 0.03 0.76 -0.31 0.00 0.31 0.00 0.00 61.69 62.49 1x1g s THR 17 Cb -0.05 -3.49 -0.09 0.00 0.01 0.00 0.00 72.50 68.89 1x1g s THR 17 CO 0.01 -0.03 1.75 -0.69 -0.69 0.00 0.00 174.62 174.97 1x1g s VAL 18 N 3.06 2.96 -0.08 3.82 1.01 -1.26 0.97 120.40 130.87 1x1g s VAL 18 Ca 0.70 0.32 0.04 0.00 0.00 0.00 0.00 61.98 63.05 1x1g s VAL 18 Cb -0.35 -3.21 -0.08 0.00 0.00 0.00 0.00 36.38 32.75 1x1g s VAL 18 CO 0.29 -0.01 -0.02 1.33 0.00 0.00 0.00 175.10 176.70 1x1g n VAL 19 N 4.94 0.51 -3.80 2.92 0.24 0.38 -4.90 118.33 118.62 1x1g n VAL 19 Ca 0.17 -0.27 -0.13 0.00 -2.04 0.00 0.00 64.34 62.08 1x1g n VAL 19 Cb 0.40 -0.82 -0.12 0.00 -1.47 0.00 0.00 33.84 31.84 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 -2.18 0.24 -0.01 7.34 2.47 -1.09 -5.02 119.74 121.50 1x1g s LYS 20 Ca -0.07 0.29 -0.09 0.00 -1.56 0.00 0.00 55.97 54.55 1x1g s LYS 20 Cb 0.03 0.12 0.01 0.00 -1.46 0.00 0.00 37.83 36.52 1x1g s LYS 20 CO 0.26 -0.03 0.17 -0.65 0.16 0.00 0.00 175.35 175.27 1x1g s GLN 21 N 0.12 0.49 0.00 4.03 -0.21 -1.26 0.22 119.66 123.05 1x1g s GLN 21 Ca -0.00 -0.30 0.00 0.00 0.02 0.00 0.00 55.36 55.08 1x1g s GLN 21 Cb -0.02 0.21 0.00 0.00 1.00 0.00 0.00 33.01 34.20 1x1g s GLN 21 CO 0.00 -0.12 0.00 0.41 -2.12 0.00 0.00 175.29 173.46 1x1g n GLY 22 N 1.56 -2.16 3.45 3.09 0.00 -0.87 -5.01 105.19 105.26 1x1g n GLY 22 Ca -0.22 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 1x1g n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x1g s TYR 23 N -2.49 3.00 0.33 1.61 1.51 -1.26 -0.33 117.35 119.73 1x1g s TYR 23 Ca 0.00 -0.44 0.04 0.00 -1.01 0.00 0.00 57.07 55.67 1x1g s TYR 23 Cb 0.00 -1.99 -0.07 0.00 -0.11 0.00 0.00 41.96 39.79 1x1g s TYR 23 CO 0.00 -0.16 0.05 -0.51 -1.11 0.00 0.00 175.55 173.82 1x1g s LEU 24 N 0.64 2.27 0.10 -1.29 1.43 0.38 -4.54 118.68 117.67 1x1g s LEU 24 Ca -0.02 -1.37 0.04 0.00 -1.03 0.00 0.00 54.13 51.75 1x1g s LEU 24 Cb -0.14 -0.45 -0.04 0.00 0.03 0.00 0.00 46.19 45.59 1x1g s LEU 24 CO 0.02 -0.58 0.06 0.00 0.23 0.00 0.00 176.35 176.09 1x1g s ALA 25 N -3.22 3.47 -0.32 4.21 0.00 -1.22 0.21 121.76 124.89 1x1g s ALA 25 Ca 0.36 -1.09 0.03 0.00 0.00 0.00 0.00 51.96 51.26 1x1g s ALA 25 Cb 0.09 -1.33 0.09 0.00 0.00 0.00 0.00 23.12 21.96 1x1g s ALA 25 CO 0.16 0.68 0.01 0.21 0.00 0.00 0.00 175.76 176.82 1x1g s LYS 26 N -2.51 1.78 -0.02 0.00 2.20 -0.90 -2.39 119.74 117.90 1x1g s LYS 26 Ca 0.28 -1.69 -0.30 0.00 -0.36 0.00 0.00 55.97 53.90 1x1g s LYS 26 Cb -0.12 -3.14 -0.07 0.00 -1.51 0.00 0.00 37.83 33.00 1x1g s LYS 26 CO 0.21 -0.83 1.75 -1.14 -0.36 0.00 0.00 175.35 174.98 1x1g s GLN 27 N 0.99 4.17 0.22 4.03 0.74 -1.07 -4.26 119.66 124.49 1x1g s GLN 27 Ca 0.04 2.33 0.00 0.00 0.05 0.00 0.00 55.36 57.78 1x1g s GLN 27 Cb -0.20 -4.00 0.00 0.00 1.10 0.00 0.00 33.01 29.91 1x1g s GLN 27 CO -0.07 -0.87 0.00 0.41 -0.55 0.00 0.00 175.29 174.22 1x1g n GLY 28 N 4.24 -1.24 3.22 2.59 0.00 -1.26 -4.78 105.19 107.97 1x1g n GLY 28 Ca 0.18 0.25 -0.34 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.95 -2.19 -3.12 1.61 -0.00 -1.26 -4.93 115.22 102.37 1x1g n HIS 29 Ca 0.00 0.22 -0.26 0.00 -0.00 0.00 0.00 57.72 57.68 1x1g n HIS 29 Cb 0.00 -1.58 -0.05 0.00 -0.00 0.00 0.00 29.99 28.36 1x1g n HIS 29 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1x1g n LYS 30 N -0.26 2.76 0.00 1.57 4.76 -1.26 -4.85 118.16 120.87 1x1g n LYS 30 Ca 0.02 -4.63 0.00 0.00 -2.87 0.00 0.00 58.31 50.82 1x1g n LYS 30 Cb 0.60 -2.17 0.00 0.00 -1.84 0.00 0.00 35.03 31.63 1x1g n LYS 30 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1x1g n ARG 31 N 0.19 0.00 -0.42 1.97 1.74 -1.26 -5.09 116.66 113.80 1x1g n ARG 31 Ca 0.30 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.44 1x1g n ARG 31 Cb 0.42 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.85 1x1g n ARG 31 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1x1g n LYS 32 N 0.00 -0.84 -0.66 5.56 4.76 -1.26 -4.73 118.16 120.99 1x1g n LYS 32 Ca 0.00 0.56 -0.25 0.00 -2.87 0.00 0.00 58.31 55.74 1x1g n LYS 32 Cb 0.00 -1.03 0.13 0.00 -1.84 0.00 0.00 35.03 32.29 1x1g n LYS 32 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1x1g n ASN 33 N -3.80 -2.73 -3.86 4.39 3.02 -1.26 -3.46 115.26 107.57 1x1g n ASN 33 Ca 0.00 -0.22 -0.18 0.00 -0.03 0.00 0.00 54.58 54.15 1x1g n ASN 33 Cb 0.19 -0.78 0.10 0.00 -0.61 0.00 0.00 39.78 38.69 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 -4.21 -3.20 -3.36 3.10 8.01 -1.26 -4.82 117.44 111.69 1x1g n TRP 34 Ca 0.02 -1.27 -0.26 0.00 -1.31 0.00 0.00 57.50 54.69 1x1g n TRP 34 Cb 0.49 -0.59 -0.02 0.00 -2.01 0.00 0.00 31.31 29.18 1x1g n TRP 34 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 1x1g s LYS 35 N -4.58 3.55 0.08 -0.99 1.02 -1.26 -4.93 119.74 112.62 1x1g s LYS 35 Ca 0.52 -0.18 -0.07 0.00 0.02 0.00 0.00 55.97 56.25 1x1g s LYS 35 Cb -0.03 -2.66 -0.05 0.00 -0.52 0.00 0.00 37.83 34.57 1x1g s LYS 35 CO 0.35 0.19 0.35 0.08 -0.92 0.00 0.00 175.35 175.39 1x1g s VAL 36 N -2.20 5.18 0.07 3.17 1.01 -1.26 -2.13 120.40 124.25 1x1g s VAL 36 Ca 0.42 0.22 -0.08 0.00 0.00 0.00 0.00 61.98 62.54 1x1g s VAL 36 Cb -0.10 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.66 1x1g s VAL 36 CO 0.33 0.23 0.18 -0.13 0.00 0.00 0.00 175.10 175.71 1x1g s ARG 37 N -2.12 0.79 -0.54 2.72 1.81 0.58 -4.66 118.95 117.53 1x1g s ARG 37 Ca 0.34 -0.90 -0.21 0.00 -1.72 0.00 0.00 55.73 53.24 1x1g s ARG 37 Cb -0.13 0.32 0.06 0.00 -0.45 0.00 0.00 34.95 34.75 1x1g s ARG 37 CO 0.20 -0.24 0.75 0.50 -0.68 0.00 0.00 175.30 175.82 1x1g s ARG 38 N -3.57 3.17 -0.15 3.54 3.52 -0.10 0.14 118.95 125.51 1x1g s ARG 38 Ca 0.03 -0.76 -0.12 0.00 -0.13 0.00 0.00 55.73 54.74 1x1g s ARG 38 Cb 0.04 -4.11 -0.05 0.00 -1.56 0.00 0.00 34.95 29.27 1x1g s ARG 38 CO -0.09 -1.37 0.25 -0.06 -0.81 0.00 0.00 175.30 173.21 1x1g s PHE 39 N 3.11 3.50 -0.04 5.12 0.40 0.56 0.82 117.98 131.44 1x1g s PHE 39 Ca 0.19 0.57 0.05 0.00 -0.60 0.00 0.00 56.93 57.15 1x1g s PHE 39 Cb -0.18 -2.24 -0.02 0.00 0.51 0.00 0.00 43.02 41.09 1x1g s PHE 39 CO 0.13 0.36 -0.18 0.54 0.70 0.00 0.00 175.22 176.77 1x1g s VAL 40 N 0.07 2.69 -0.18 -0.44 0.11 0.40 -2.05 120.40 121.01 1x1g s VAL 40 Ca 0.15 -0.86 -0.02 0.00 -2.93 0.00 0.00 61.98 58.32 1x1g s VAL 40 Cb -0.13 -2.02 -0.01 0.00 -1.53 0.00 0.00 36.38 32.69 1x1g s VAL 40 CO 0.04 0.58 -0.09 -0.22 -3.33 0.00 0.00 175.10 172.08 1x1g s LEU 41 N -0.63 2.76 0.19 2.54 0.20 0.59 -2.03 118.68 122.31 1x1g s LEU 41 Ca 0.09 -0.38 0.09 0.00 0.69 0.00 0.00 54.13 54.63 1x1g s LEU 41 Cb -0.11 -1.66 -0.04 0.00 -0.43 0.00 0.00 46.19 43.94 1x1g s LEU 41 CO 0.00 0.07 -0.17 -0.13 -0.29 0.00 0.00 176.35 175.83 1x1g s ARG 42 N 0.94 1.35 0.04 1.98 0.52 -0.81 -0.47 118.95 122.51 1x1g s ARG 42 Ca -0.02 -1.51 0.03 0.00 -0.52 0.00 0.00 55.73 53.71 1x1g s ARG 42 Cb -0.15 -1.34 -0.02 0.00 0.52 0.00 0.00 34.95 33.96 1x1g s ARG 42 CO -0.00 0.26 -0.09 -1.59 0.02 0.00 0.00 175.30 173.89 1x1g s LYS 43 N -3.15 0.61 -0.32 3.54 -2.85 0.27 -3.17 119.74 114.67 1x1g s LYS 43 Ca 0.20 -0.74 -0.25 0.00 -1.00 0.00 0.00 55.97 54.18 1x1g s LYS 43 Cb -0.04 -0.46 0.04 0.00 -2.06 0.00 0.00 37.83 35.31 1x1g s LYS 43 CO 0.08 0.10 0.45 -0.25 0.10 0.00 0.00 175.35 175.83 1x1g n ASP 44 N 1.61 -6.12 -4.12 0.03 9.92 -1.26 0.73 116.55 117.34 1x1g n ASP 44 Ca -0.21 0.13 -0.30 0.00 -0.53 0.00 0.00 54.79 53.88 1x1g n ASP 44 Cb 0.55 -2.13 0.20 0.00 -0.64 0.00 0.00 41.12 39.10 1x1g n ASP 44 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1x1g s PRO 45 N -2.04 -0.04 -0.43 -0.24 0.04 -1.25 -3.60 135.00 127.45 1x1g s PRO 45 Ca 0.25 -0.15 -0.18 0.00 0.04 0.00 0.00 61.00 60.96 1x1g s PRO 45 Cb -0.03 -1.74 0.03 0.00 0.04 0.00 0.00 34.50 32.79 1x1g s PRO 45 CO 0.63 -2.91 0.50 0.00 0.04 0.00 0.00 177.00 175.26 1x1g s ALA 46 N -3.42 3.41 -0.09 8.56 0.00 -1.26 -4.66 121.76 124.29 1x1g s ALA 46 Ca 0.71 -1.48 -0.30 0.00 0.00 0.00 0.00 51.96 50.89 1x1g s ALA 46 Cb -0.08 -3.14 0.07 0.00 0.00 0.00 0.00 23.12 19.97 1x1g s ALA 46 CO 0.54 -1.68 0.69 -0.06 0.00 0.00 0.00 175.76 175.25 1x1g s PHE 47 N 2.34 -0.67 -0.18 0.00 0.40 -1.19 -3.76 117.98 114.91 1x1g s PHE 47 Ca 0.15 1.24 -0.01 0.00 -0.60 0.00 0.00 56.93 57.71 1x1g s PHE 47 Cb -0.17 0.39 0.05 0.00 0.51 0.00 0.00 43.02 43.80 1x1g s PHE 47 CO 0.15 -0.57 -0.03 -1.17 0.70 0.00 0.00 175.22 174.29 1x1g s LEU 48 N -0.95 1.67 0.29 -0.37 2.96 -1.20 -1.93 118.68 119.15 1x1g s LEU 48 Ca -0.09 -0.76 0.11 0.00 -0.22 0.00 0.00 54.13 53.17 1x1g s LEU 48 Cb -0.01 -0.88 -0.05 0.00 0.50 0.00 0.00 46.19 45.75 1x1g s LEU 48 CO 0.08 -0.22 -0.15 -1.00 -1.32 0.00 0.00 176.35 173.74 1x1g s HIS 49 N 1.65 2.36 0.02 5.38 3.76 -0.86 -2.35 115.29 125.24 1x1g s HIS 49 Ca -0.01 -0.36 -0.08 0.00 -0.15 0.00 0.00 55.06 54.47 1x1g s HIS 49 Cb -0.16 -1.11 0.00 0.00 1.11 0.00 0.00 32.58 32.42 1x1g s HIS 49 CO -0.07 0.67 0.15 1.52 -0.85 0.00 0.00 174.74 176.16 1x1g s TYR 50 N -2.51 0.07 0.03 1.40 1.13 -1.26 0.15 117.35 116.35 1x1g s TYR 50 Ca 0.31 -0.21 0.07 0.00 -1.41 0.00 0.00 57.07 55.83 1x1g s TYR 50 Cb -0.03 -0.06 -0.02 0.00 -1.10 0.00 0.00 41.96 40.75 1x1g s TYR 50 CO 0.16 -0.33 -0.22 0.71 -2.51 0.00 0.00 175.55 173.36 1x1g s TYR 51 N -1.82 1.90 -0.06 -3.49 1.51 0.24 0.12 117.35 115.74 1x1g s TYR 51 Ca -0.11 -0.37 -0.30 0.00 -1.01 0.00 0.00 57.07 55.28 1x1g s TYR 51 Cb -0.05 -1.16 -0.03 0.00 -0.11 0.00 0.00 41.96 40.61 1x1g s TYR 51 CO -0.00 0.06 1.14 0.34 -1.11 0.00 0.00 175.55 175.97 1x1g s ASP 52 N -1.00 7.12 0.11 2.29 2.15 -1.26 -0.92 116.67 125.15 1x1g s ASP 52 Ca 0.08 1.73 0.23 0.00 0.43 0.00 0.00 52.55 55.03 1x1g s ASP 52 Cb -0.09 -2.56 0.91 0.00 -0.30 0.00 0.00 42.92 40.89 1x1g s ASP 52 CO 0.01 -0.53 1.72 -0.81 -0.17 0.00 0.00 175.17 175.39 1x1g n PRO 53 N 5.05 0.10 0.02 4.34 -0.04 -1.26 -2.63 135.00 140.59 1x1g n PRO 53 Ca 0.10 0.21 -0.08 0.00 -0.04 0.00 0.00 63.50 63.69 1x1g n PRO 53 Cb 0.47 -1.65 -0.13 0.00 -0.04 0.00 0.00 33.50 32.15 1x1g n PRO 53 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1x1g h SER 54 N 0.00 0.03 -3.14 3.54 0.02 -1.90 -3.46 113.55 108.64 1x1g h SER 54 Ca 0.00 -0.05 -0.64 0.00 -0.84 0.00 0.00 61.79 60.27 1x1g h SER 54 Cb 0.45 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 62.90 1x1g h SER 54 CO 0.00 1.04 -0.59 -0.75 -1.14 0.00 0.00 176.83 175.39 1x1g s LYS 55 N -2.65 2.97 -0.61 3.45 2.47 -1.08 -5.04 119.74 119.26 1x1g s LYS 55 Ca -0.02 -0.63 0.04 0.00 -1.56 0.00 0.00 55.97 53.79 1x1g s LYS 55 Cb 0.09 -2.78 0.36 0.00 -1.46 0.00 0.00 37.83 34.04 1x1g s LYS 55 CO 0.82 0.58 1.17 -1.91 0.16 0.00 0.00 175.35 176.17 1x1g n GLU 56 N 0.53 3.52 -2.72 4.03 2.13 -1.26 -4.67 120.64 122.20 1x1g n GLU 56 Ca -0.09 -4.65 -0.25 0.00 0.66 0.00 0.00 57.16 52.83 1x1g n GLU 56 Cb 0.52 -2.27 0.01 0.00 0.27 0.00 0.00 31.44 29.97 1x1g n GLU 56 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1x1g s GLU 57 N -3.63 3.13 -1.17 5.31 2.12 -1.26 -5.00 118.70 118.20 1x1g s GLU 57 Ca 0.48 -0.16 -0.05 0.00 0.36 0.00 0.00 54.97 55.60 1x1g s GLU 57 Cb 0.32 -2.42 0.23 0.00 0.26 0.00 0.00 34.13 32.52 1x1g s GLU 57 CO -0.17 -0.39 1.89 0.09 -0.54 0.00 0.00 175.26 176.14 1x1g n ASN 58 N -2.28 6.80 0.00 -1.70 4.13 -1.26 -4.89 115.26 116.06 1x1g n ASN 58 Ca 0.02 -3.35 0.00 0.00 1.68 0.00 0.00 54.58 52.93 1x1g n ASN 58 Cb 0.57 -1.31 0.00 0.00 -1.54 0.00 0.00 39.78 37.50 1x1g n ASN 58 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1x1g n ARG 59 N 1.61 0.00 -1.55 3.52 1.74 -1.26 -5.16 116.66 115.56 1x1g n ARG 59 Ca 0.44 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 57.23 1x1g n ARG 59 Cb 0.30 0.00 0.12 0.00 -1.02 0.00 0.00 32.46 31.85 1x1g n ARG 59 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1x1g s PRO 60 N -2.00 1.52 0.32 5.56 0.04 -1.26 -4.83 135.00 134.35 1x1g s PRO 60 Ca 0.00 0.42 0.11 0.00 0.04 0.00 0.00 61.00 61.57 1x1g s PRO 60 Cb 0.00 -1.87 0.52 0.00 0.04 0.00 0.00 34.50 33.19 1x1g s PRO 60 CO 0.00 -1.97 1.71 0.28 0.04 0.00 0.00 177.00 177.07 1x1g h VAL 61 N -1.33 1.35 0.00 -0.36 2.07 0.51 -3.46 116.25 115.03 1x1g h VAL 61 Ca -0.49 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 65.34 1x1g h VAL 61 Cb 1.31 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1x1g h VAL 61 CO 0.61 0.49 0.00 0.61 0.02 0.00 0.00 177.57 179.30 1x1g n GLY 62 N -0.10 -0.00 3.30 2.17 0.00 -1.26 -5.08 105.19 104.22 1x1g n GLY 62 Ca -0.02 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.49 3.25 -0.02 0.00 -1.26 -4.90 105.19 98.76 1x1g n GLY 63 Ca 0.00 -1.37 -0.14 0.00 0.00 0.00 0.00 46.02 44.51 1x1g n GLY 63 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x1g s PHE 64 N -2.46 1.24 0.69 1.61 -0.71 -0.99 -4.98 117.98 112.38 1x1g s PHE 64 Ca 0.68 -0.97 -0.12 0.00 -1.04 0.00 0.00 56.93 55.49 1x1g s PHE 64 Cb -0.10 -0.70 0.01 0.00 -1.21 0.00 0.00 43.02 41.03 1x1g s PHE 64 CO 0.55 -0.15 1.07 -1.54 -1.34 0.00 0.00 175.22 173.82 1x1g s SER 65 N -3.18 5.17 -0.14 1.98 1.04 -1.26 -3.21 113.70 114.10 1x1g s SER 65 Ca 0.23 1.76 -0.01 0.00 0.48 0.00 0.00 55.95 58.40 1x1g s SER 65 Cb 0.06 -2.52 -0.08 0.00 0.10 0.00 0.00 66.02 63.58 1x1g s SER 65 CO 0.03 -1.59 -0.14 0.18 0.98 0.00 0.00 173.24 172.71 1x1g n LEU 66 N -2.96 2.50 -0.37 2.42 4.77 -1.25 -4.51 117.00 117.61 1x1g n LEU 66 Ca 0.08 -0.01 -0.07 0.00 -0.03 0.00 0.00 56.01 55.98 1x1g n LEU 66 Cb 0.53 -0.47 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 1x1g n LEU 66 CO 0.53 0.63 0.46 0.54 -1.33 0.00 0.00 177.39 178.21 1x1g n ARG 67 N -3.10 -0.34 -2.23 3.23 3.00 -1.26 -0.02 116.66 115.94 1x1g n ARG 67 Ca -0.26 1.37 -0.39 0.00 -0.01 0.00 0.00 57.85 58.56 1x1g n ARG 67 Cb 0.75 -2.02 0.02 0.00 0.00 0.00 0.00 32.46 31.21 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 -1.29 5.70 3.42 -0.13 0.00 -1.26 -4.71 105.19 106.92 1x1g n GLY 68 Ca 0.04 -2.44 -0.15 0.00 0.00 0.00 0.00 46.02 43.47 1x1g n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x1g s SER 69 N -0.95 0.98 0.05 1.61 0.01 0.97 -0.68 113.70 115.69 1x1g s SER 69 Ca 0.47 -1.51 -0.20 0.00 1.31 0.00 0.00 55.95 56.02 1x1g s SER 69 Cb 0.29 0.61 0.04 0.00 0.21 0.00 0.00 66.02 67.18 1x1g s SER 69 CO -0.24 -1.19 0.45 -0.22 0.41 0.00 0.00 173.24 172.45 1x1g s LEU 70 N -3.25 0.21 0.06 2.44 2.96 0.52 -4.84 118.68 116.78 1x1g s LEU 70 Ca 0.33 0.04 0.04 0.00 -0.22 0.00 0.00 54.13 54.33 1x1g s LEU 70 Cb 0.01 1.90 -0.03 0.00 0.50 0.00 0.00 46.19 48.57 1x1g s LEU 70 CO 0.21 -0.70 -0.12 0.54 -1.32 0.00 0.00 176.35 174.96 1x1g s VAL 71 N -2.57 0.90 0.13 1.68 0.11 -1.26 0.11 120.40 119.50 1x1g s VAL 71 Ca -0.05 -1.21 -0.24 0.00 -2.93 0.00 0.00 61.98 57.55 1x1g s VAL 71 Cb -0.01 -0.90 0.07 0.00 -1.53 0.00 0.00 36.38 34.02 1x1g s VAL 71 CO -0.03 -0.27 0.68 -0.44 -3.33 0.00 0.00 175.10 171.70 1x1g s SER 72 N -1.66 -0.50 0.27 3.54 0.01 -0.27 -4.94 113.70 110.16 1x1g s SER 72 Ca -0.05 -0.03 0.03 0.00 1.31 0.00 0.00 55.95 57.21 1x1g s SER 72 Cb -0.10 0.56 -0.03 0.00 0.21 0.00 0.00 66.02 66.66 1x1g s SER 72 CO 0.02 -0.91 0.43 0.00 0.41 0.00 0.00 173.24 173.18 1x1g s ALA 73 N -3.61 3.84 0.37 1.44 0.00 -1.26 -0.40 121.76 122.14 1x1g s ALA 73 Ca 0.03 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 50.94 1x1g s ALA 73 Cb -0.01 -1.89 -0.01 0.00 0.00 0.00 0.00 23.12 21.21 1x1g s ALA 73 CO -0.11 0.17 0.54 -0.51 0.00 0.00 0.00 175.76 175.86 1x1g s LEU 74 N -4.03 3.88 -0.28 0.00 1.43 -1.24 -4.84 118.68 113.61 1x1g s LEU 74 Ca 0.36 0.08 -0.18 0.00 -1.03 0.00 0.00 54.13 53.36 1x1g s LEU 74 Cb -0.09 -2.97 0.12 0.00 0.03 0.00 0.00 46.19 43.28 1x1g s LEU 74 CO 0.31 -0.49 0.89 -1.83 0.23 0.00 0.00 176.35 175.46 1x1g s GLU 75 N -4.32 0.51 0.00 1.70 -1.05 -1.26 -4.90 118.70 109.39 1x1g s GLU 75 Ca 0.45 0.83 0.00 0.00 -0.15 0.00 0.00 54.97 56.09 1x1g s GLU 75 Cb -0.10 0.14 0.00 0.00 -0.44 0.00 0.00 34.13 33.73 1x1g s GLU 75 CO 0.34 -0.10 0.00 -3.47 0.95 0.00 0.00 175.26 172.98 1x1g n ASP 76 N 3.60 0.00 0.00 0.83 2.03 -1.26 -5.08 116.55 116.67 1x1g n ASP 76 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 1x1g n ASP 76 Cb 0.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 1x1g n ASP 76 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1x1g n ASN 77 N 0.00 0.00 0.00 1.67 4.13 -1.26 -5.09 115.26 114.71 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 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 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 1.60 3.66 7.41 0.00 -1.26 -4.23 105.19 112.37 1x1g n GLY 78 Ca 0.00 0.56 -0.43 0.00 0.00 0.00 0.00 46.02 46.16 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 0.76 -0.50 1.61 0.31 -1.26 -4.81 118.33 114.44 1x1g n VAL 79 Ca 0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1x1g n VAL 79 Cb 0.00 -2.29 0.00 0.00 -0.91 0.00 0.00 33.84 30.64 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 7.50 0.01 0.00 5.55 -0.04 -1.26 -5.05 135.00 141.70 1x1g n PRO 80 Ca 0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1x1g n PRO 80 Cb 0.40 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 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 -1.58 0.00 -1.53 0.52 -1.04 -1.26 -4.51 114.28 104.89 1x1g n THR 81 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 1x1g n THR 81 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 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 1.64 -0.26 2.98 3.41 0.00 -1.26 -4.75 105.19 106.95 1x1g n GLY 82 Ca 0.00 0.21 -0.05 0.00 0.00 0.00 0.00 46.02 46.18 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 12.17 -0.74 0.69 1.61 1.01 -1.26 -5.14 120.40 128.73 1x1g s VAL 83 Ca 0.94 -0.18 -0.17 0.00 0.00 0.00 0.00 61.98 62.58 1x1g s VAL 83 Cb -0.23 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1x1g s VAL 83 CO 0.18 -0.18 0.79 0.29 0.00 0.00 0.00 175.10 176.18 1x1g n LYS 84 N 5.38 0.50 -1.26 2.72 4.76 -1.26 -4.69 118.16 124.30 1x1g n LYS 84 Ca 0.01 0.22 0.14 0.00 -2.87 0.00 0.00 58.31 55.81 1x1g n LYS 84 Cb 0.51 -2.05 -0.06 0.00 -1.84 0.00 0.00 35.03 31.59 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 1.36 -2.32 3.81 0.72 0.00 -1.22 -4.03 105.19 103.51 1x1g n GLY 85 Ca 0.12 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 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 -6.54 6.76 0.87 1.61 4.22 -1.26 -4.71 114.94 115.89 1x1g s ASN 86 Ca 0.00 0.91 -0.08 0.00 -2.14 0.00 0.00 52.86 51.54 1x1g s ASN 86 Cb 0.00 -2.25 0.18 0.00 1.28 0.00 0.00 41.25 40.46 1x1g s ASN 86 CO 0.00 0.26 1.19 0.68 -2.04 0.00 0.00 177.10 177.18 1x1g s VAL 87 N -0.68 2.01 0.05 3.54 -7.23 -1.26 -4.89 120.40 111.94 1x1g s VAL 87 Ca 0.24 -0.31 -0.25 0.00 -1.81 0.00 0.00 61.98 59.84 1x1g s VAL 87 Cb -0.16 -2.70 -0.17 0.00 0.56 0.00 0.00 36.38 33.91 1x1g s VAL 87 CO 0.12 0.00 1.54 1.56 -0.31 0.00 0.00 175.10 178.01 1x1g h GLN 88 N -1.17 -0.14 0.00 4.82 1.08 -1.95 -3.46 115.11 114.29 1x1g h GLN 88 Ca -0.39 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.82 1x1g h GLN 88 Cb 1.24 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 1x1g h GLN 88 CO 0.35 0.05 0.00 0.41 -0.95 0.00 0.00 178.83 178.69 1x1g n GLY 89 N -0.69 0.93 2.44 3.46 0.00 -1.26 -4.99 105.19 105.07 1x1g n GLY 89 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 1x1g n GLY 89 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x1g n ASN 90 N 0.00 1.08 -2.70 1.61 4.13 -1.26 -4.66 115.26 113.46 1x1g n ASN 90 Ca 0.00 -2.86 0.00 0.00 1.68 0.00 0.00 54.58 53.40 1x1g n ASN 90 Cb 0.00 -0.54 0.00 0.00 -1.54 0.00 0.00 39.78 37.70 1x1g n ASN 90 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1x1g n LEU 91 N 0.10 0.00 -3.88 3.41 4.77 -1.26 -4.69 117.00 115.45 1x1g n LEU 91 Ca 0.17 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.11 1x1g n LEU 91 Cb 0.74 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.85 1x1g n LEU 91 CO 0.24 -0.01 0.80 0.72 -1.33 0.00 0.00 177.39 177.80 1x1g s PHE 92 N 0.17 0.08 0.13 -1.77 -0.71 -1.14 -3.61 117.98 111.12 1x1g s PHE 92 Ca 0.00 -0.49 -0.01 0.00 -1.04 0.00 0.00 56.93 55.39 1x1g s PHE 92 Cb 0.00 0.71 -0.04 0.00 -1.21 0.00 0.00 43.02 42.48 1x1g s PHE 92 CO 0.00 -0.96 0.05 -1.59 -1.34 0.00 0.00 175.22 171.37 1x1g s LYS 93 N -2.17 0.91 -0.15 1.99 0.00 0.46 -0.76 119.74 120.02 1x1g s LYS 93 Ca 0.22 -1.43 -0.02 0.00 0.00 0.00 0.00 55.97 54.74 1x1g s LYS 93 Cb -0.03 0.22 0.05 0.00 0.00 0.00 0.00 37.83 38.07 1x1g s LYS 93 CO 0.06 -0.25 0.01 0.08 0.00 0.00 0.00 175.35 175.25 1x1g s VAL 94 N -4.03 0.56 -0.35 1.79 1.01 -0.09 -1.11 120.40 118.19 1x1g s VAL 94 Ca 0.23 -0.37 -0.23 0.00 0.00 0.00 0.00 61.98 61.61 1x1g s VAL 94 Cb 0.07 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.54 1x1g s VAL 94 CO 0.01 -0.03 0.76 -0.63 0.00 0.00 0.00 175.10 175.21 1x1g s ILE 95 N 1.86 4.77 0.70 2.22 1.01 0.31 -0.32 121.20 131.75 1x1g s ILE 95 Ca 0.01 0.89 -0.07 0.00 0.00 0.00 0.00 60.65 61.48 1x1g s ILE 95 Cb -0.15 -4.18 0.15 0.00 0.01 0.00 0.00 42.46 38.29 1x1g s ILE 95 CO -0.07 -0.38 0.96 0.35 0.00 0.00 0.00 174.94 175.80 1x1g n THR 96 N 5.71 0.00 0.28 2.92 -2.24 -0.58 0.20 114.28 120.57 1x1g n THR 96 Ca 0.02 -1.02 0.10 0.00 -2.27 0.00 0.00 64.05 60.88 1x1g n THR 96 Cb 0.48 -1.32 0.46 0.00 -2.10 0.00 0.00 70.33 67.86 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 -2.93 0.14 -0.23 -0.78 2.85 0.15 -0.17 118.16 117.18 1x1g n LYS 97 Ca 0.13 0.50 0.09 0.00 -1.05 0.00 0.00 58.31 57.98 1x1g n LYS 97 Cb 0.48 -1.83 0.24 0.00 -0.65 0.00 0.00 35.03 33.26 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 -2.10 2.63 -1.49 -5.58 9.92 -1.26 -4.88 116.55 113.78 1x1g n ASP 98 Ca 0.01 -1.96 -0.18 0.00 -0.53 0.00 0.00 54.79 52.12 1x1g n ASP 98 Cb 0.13 -0.30 -0.07 0.00 -0.64 0.00 0.00 41.12 40.24 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 0.94 -5.20 -4.63 -2.24 2.03 0.76 -4.94 116.55 103.27 1x1g n ASP 99 Ca 0.17 0.38 -0.41 0.00 0.52 0.00 0.00 54.79 55.45 1x1g n ASP 99 Cb 0.43 -4.29 -0.06 0.00 -0.72 0.00 0.00 41.12 36.48 1x1g n ASP 99 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1x1g s THR 100 N -2.71 4.95 -0.55 5.18 2.01 -1.25 -4.78 115.64 118.49 1x1g s THR 100 Ca 0.00 1.25 -0.23 0.00 0.31 0.00 0.00 61.69 63.01 1x1g s THR 100 Cb 0.00 -3.98 0.04 0.00 0.01 0.00 0.00 72.50 68.57 1x1g s THR 100 CO 0.00 0.00 0.90 -1.00 -0.69 0.00 0.00 174.62 173.84 1x1g s HIS 101 N 2.57 2.82 -0.60 4.92 3.76 -1.26 -1.53 115.29 125.98 1x1g s HIS 101 Ca 0.28 -0.10 -0.20 0.00 -0.15 0.00 0.00 55.06 54.90 1x1g s HIS 101 Cb -0.15 -4.01 0.09 0.00 1.11 0.00 0.00 32.58 29.61 1x1g s HIS 101 CO 0.08 -1.32 0.76 0.71 -0.85 0.00 0.00 174.74 174.12 1x1g s TYR 102 N 3.78 2.92 -0.10 1.40 1.51 0.56 -4.76 117.35 122.67 1x1g s TYR 102 Ca 0.28 -0.78 -0.30 0.00 -1.01 0.00 0.00 57.07 55.26 1x1g s TYR 102 Cb -0.14 -4.02 -0.03 0.00 -0.11 0.00 0.00 41.96 37.67 1x1g s TYR 102 CO 0.18 -1.35 1.25 0.71 -1.11 0.00 0.00 175.55 175.23 1x1g s TYR 103 N 3.04 2.98 0.33 2.71 1.51 -1.26 -0.91 117.35 125.76 1x1g s TYR 103 Ca 0.15 1.07 0.10 0.00 -1.01 0.00 0.00 57.07 57.38 1x1g s TYR 103 Cb -0.21 -3.49 -0.06 0.00 -0.11 0.00 0.00 41.96 38.09 1x1g s TYR 103 CO 0.08 -1.63 -0.10 0.42 -1.11 0.00 0.00 175.55 173.21 1x1g s ILE 104 N 2.85 2.34 -0.06 2.71 1.01 0.06 -2.58 121.20 127.53 1x1g s ILE 104 Ca 0.56 -2.21 0.03 0.00 0.00 0.00 0.00 60.65 59.03 1x1g s ILE 104 Cb -0.24 -2.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.60 1x1g s ILE 104 CO 0.19 -0.24 -0.13 -1.58 0.00 0.00 0.00 174.94 173.18 1x1g s GLN 105 N -3.60 2.62 0.01 2.79 0.74 -1.01 -2.88 119.66 118.32 1x1g s GLN 105 Ca 0.32 -0.67 0.01 0.00 0.05 0.00 0.00 55.36 55.07 1x1g s GLN 105 Cb 0.01 -2.43 -0.04 0.00 1.10 0.00 0.00 33.01 31.65 1x1g s GLN 105 CO 0.17 0.59 0.04 0.00 -0.55 0.00 0.00 175.29 175.54 1x1g s ALA 106 N -0.64 3.44 0.20 1.58 0.00 -1.26 -3.39 121.76 121.68 1x1g s ALA 106 Ca 0.09 -0.93 -0.11 0.00 0.00 0.00 0.00 51.96 51.02 1x1g s ALA 106 Cb -0.11 -1.44 0.22 0.00 0.00 0.00 0.00 23.12 21.78 1x1g s ALA 106 CO 0.01 0.68 1.78 1.03 0.00 0.00 0.00 175.76 179.26 1x1g h SER 107 N 4.09 0.37 -5.06 0.00 0.87 -1.90 -3.45 113.55 108.47 1x1g h SER 107 Ca -0.49 0.05 -0.29 0.00 -1.23 0.00 0.00 61.79 59.83 1x1g h SER 107 Cb 1.18 -0.02 -0.15 0.00 -0.44 0.00 0.00 62.40 62.97 1x1g h SER 107 CO 0.60 0.24 -0.62 -0.44 -0.53 0.00 0.00 176.83 176.08 1x1g s SER 108 N -5.48 0.66 0.60 6.23 0.01 -1.26 -4.98 113.70 109.48 1x1g s SER 108 Ca -0.13 -1.37 0.31 0.00 1.31 0.00 0.00 55.95 56.07 1x1g s SER 108 Cb 0.16 0.27 1.80 0.00 0.21 0.00 0.00 66.02 68.46 1x1g s SER 108 CO 0.75 -0.78 2.18 0.11 0.41 0.00 0.00 173.24 175.91 1x1g h LYS 109 N 2.53 0.00 0.00 12.44 6.56 -1.86 -1.97 116.57 134.27 1x1g h LYS 109 Ca -0.37 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.12 1x1g h LYS 109 Cb 1.24 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.89 1x1g h LYS 109 CO 0.57 0.00 -0.62 0.00 -2.06 0.00 0.00 179.45 177.34 1x1g h ALA 110 N 1.85 0.12 -0.97 3.86 0.00 -1.95 -3.30 119.26 118.87 1x1g h ALA 110 Ca 0.04 -0.78 0.38 0.00 0.00 0.00 0.00 54.91 54.55 1x1g h ALA 110 Cb 0.27 0.38 -0.18 0.00 0.00 0.00 0.00 17.79 18.27 1x1g h ALA 110 CO -0.00 0.37 0.43 -1.91 0.00 0.00 0.00 179.25 178.14 1x1g n GLU 111 N -4.54 -0.06 0.16 0.00 4.07 -0.78 -0.57 120.64 118.90 1x1g n GLU 111 Ca -0.19 1.36 -0.06 0.00 -0.06 0.00 0.00 57.16 58.21 1x1g n GLU 111 Cb 0.51 -2.39 -0.03 0.00 -0.06 0.00 0.00 31.44 29.47 1x1g n GLU 111 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 1x1g h ARG 112 N 0.00 -0.38 -1.39 5.31 2.43 -1.58 0.46 114.38 119.23 1x1g h ARG 112 Ca 0.78 0.03 0.43 0.00 -0.81 0.00 0.00 59.98 60.41 1x1g h ARG 112 Cb 2.01 0.09 -0.11 0.00 -0.42 0.00 0.00 29.97 31.54 1x1g h ARG 112 CO -0.78 -0.26 0.93 0.00 -1.51 0.00 0.00 179.97 178.36 1x1g h ALA 113 N -1.79 2.92 0.03 2.80 0.00 -0.95 1.29 119.26 123.57 1x1g h ALA 113 Ca -0.04 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1x1g h ALA 113 Cb 0.31 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1x1g h ALA 113 CO 0.07 -1.48 -0.02 0.93 0.00 0.00 0.00 179.25 178.75 1x1g h GLU 114 N 0.10 -0.04 0.00 0.00 4.39 -0.49 0.25 114.58 118.78 1x1g h GLU 114 Ca 0.78 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.47 1x1g h GLU 114 Cb 2.62 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 31.28 1x1g h GLU 114 CO -0.28 0.54 -0.06 -1.49 -1.16 0.00 0.00 179.01 176.56 1x1g h TRP 115 N -0.66 0.00 0.00 4.33 4.06 0.53 -0.74 115.95 123.47 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 0.60 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.76 1x1g h TRP 115 CO 0.13 0.06 0.00 -0.89 -3.56 0.00 0.00 178.44 174.18 1x1g n ILE 116 N -3.75 0.00 -0.26 1.49 5.41 0.38 -2.90 119.36 119.72 1x1g n ILE 116 Ca -0.02 0.20 0.26 0.00 1.00 0.00 0.00 62.75 64.19 1x1g n ILE 116 Cb 0.16 -0.54 0.48 0.00 -0.71 0.00 0.00 39.64 39.03 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 -0.96 -0.05 0.01 0.38 2.13 0.86 -0.00 120.64 123.02 1x1g n GLU 117 Ca 0.00 1.11 -0.01 0.00 0.66 0.00 0.00 57.16 58.92 1x1g n GLU 117 Cb 0.00 -2.00 -0.00 0.00 0.27 0.00 0.00 31.44 29.71 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 1.60 -0.85 -0.95 4.31 0.00 -1.26 -1.32 119.26 120.79 1x1g h ALA 118 Ca 0.69 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.68 1x1g h ALA 118 Cb 1.84 0.18 -0.12 0.00 0.00 0.00 0.00 17.79 19.69 1x1g h ALA 118 CO -0.61 -0.85 -0.57 0.82 0.00 0.00 0.00 179.25 178.05 1x1g h ILE 119 N -0.03 0.00 -0.94 0.00 2.04 -0.29 0.49 117.51 118.77 1x1g h ILE 119 Ca -0.00 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.00 1x1g h ILE 119 Cb 0.03 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 35.96 1x1g h ILE 119 CO 0.00 0.00 -0.38 0.29 0.00 0.00 0.00 178.15 178.06 1x1g n LYS 120 N -5.28 -0.23 -0.38 2.37 5.02 -0.62 0.31 118.16 119.35 1x1g n LYS 120 Ca 0.02 1.44 -0.10 0.00 -2.02 0.00 0.00 58.31 57.65 1x1g n LYS 120 Cb 0.28 -2.13 -0.09 0.00 -0.02 0.00 0.00 35.03 33.06 1x1g n LYS 120 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1x1g n LYS 121 N -5.36 -0.40 0.10 1.97 5.02 0.17 0.00 118.16 119.65 1x1g n LYS 121 Ca 0.09 1.41 -0.13 0.00 -2.02 0.00 0.00 58.31 57.67 1x1g n LYS 121 Cb 0.37 -2.08 -0.06 0.00 -0.02 0.00 0.00 35.03 33.24 1x1g n LYS 121 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1x1g h LEU 122 N 0.00 -0.90-10.26 -0.35 -0.00 0.05 -3.43 115.31 100.43 1x1g h LEU 122 Ca 0.15 0.11 -0.47 0.00 -0.00 0.00 0.00 57.88 57.66 1x1g h LEU 122 Cb 0.37 0.35 0.18 0.00 -0.00 0.00 0.00 40.66 41.56 1x1g h LEU 122 CO -0.86 -0.39 0.15 0.42 -0.00 0.00 0.00 178.44 177.76 1x1g s THR 123 N -6.02 2.26 -0.55 0.22 -4.23 0.10 -4.86 115.64 102.56 1x1g s THR 123 Ca -0.16 0.08 -0.28 0.00 -1.18 0.00 0.00 61.69 60.16 1x1g s THR 123 Cb 0.08 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.60 1x1g s THR 123 CO 0.65 -0.11 1.58 -0.94 -0.54 0.00 0.00 174.62 175.26 1x1g s SER 124 N -2.95 5.88 0.00 3.99 1.04 -1.26 -4.83 113.70 115.57 1x1g s SER 124 Ca 0.66 0.41 0.00 0.00 0.48 0.00 0.00 55.95 57.50 1x1g s SER 124 Cb -0.21 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.37 1x1g s SER 124 CO 0.60 -1.89 0.00 0.61 0.98 0.00 0.00 173.24 173.54 1x1g n GLY 125 N 5.40 4.45 3.79 7.32 0.00 -1.26 -5.08 105.19 119.81 1x1g n GLY 125 Ca 0.15 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 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 1.13 3.96 -0.04 1.61 0.04 -1.26 -5.06 135.00 135.38 1x1g s PRO 126 Ca 0.00 1.44 -0.03 0.00 0.04 0.00 0.00 61.00 62.45 1x1g s PRO 126 Cb 0.00 -2.30 0.02 0.00 0.04 0.00 0.00 34.50 32.26 1x1g s PRO 126 CO 0.00 -0.30 0.10 -1.12 0.04 0.00 0.00 177.00 175.72 1x1g s SER 127 N -1.78 -0.09 -0.04 6.66 0.01 -1.26 -4.88 113.70 112.32 1x1g s SER 127 Ca 0.63 0.21 -0.04 0.00 1.31 0.00 0.00 55.95 58.06 1x1g s SER 127 Cb -0.19 0.17 0.01 0.00 0.21 0.00 0.00 66.02 66.22 1x1g s SER 127 CO 0.23 -0.07 0.07 -1.20 0.41 0.00 0.00 173.24 172.68 1x1g n SER 128 N 3.44 -6.29 -0.21 2.44 7.64 -1.26 -5.29 113.62 114.10 1x1g n SER 128 Ca -0.17 1.65 0.03 0.00 1.01 0.00 0.00 58.87 61.38 1x1g n SER 128 Cb 0.56 -4.86 0.02 0.00 -1.01 0.00 0.00 64.21 58.93 1x1g n SER 128 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64