#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 0.39 0.61 1.61 1.04 -1.26 -5.10 113.70 110.99 1x1g s SER 2 Ca 0.00 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.15 1x1g s SER 2 Cb 0.00 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1x1g s SER 2 CO 0.00 -0.75 0.00 -1.20 0.98 0.00 0.00 173.24 172.27 1x1g n SER 3 N -0.19 -8.66 0.00 7.02 7.64 -1.26 -5.08 113.62 113.09 1x1g n SER 3 Ca -0.03 1.90 0.00 0.00 1.01 0.00 0.00 58.87 61.76 1x1g n SER 3 Cb 0.65 -5.24 0.00 0.00 -1.01 0.00 0.00 64.21 58.60 1x1g n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x1g n GLY 4 N -2.78 2.53 3.28 0.23 0.00 -1.26 -5.19 105.19 102.01 1x1g n GLY 4 Ca -0.01 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 1x1g n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x1g s SER 5 N 0.00 0.91 -0.16 1.61 0.15 -1.26 -5.14 113.70 109.81 1x1g s SER 5 Ca 0.00 -1.38 -0.16 0.00 0.70 0.00 0.00 55.95 55.11 1x1g s SER 5 Cb 0.00 0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.49 1x1g s SER 5 CO 0.00 -0.76 0.39 -0.44 1.20 0.00 0.00 173.24 173.63 1x1g s SER 6 N -3.27 6.51 -1.32 5.45 0.01 -1.26 -4.39 113.70 115.42 1x1g s SER 6 Ca 0.38 0.60 -0.20 0.00 1.31 0.00 0.00 55.95 58.03 1x1g s SER 6 Cb 0.08 -2.23 0.03 0.00 0.21 0.00 0.00 66.02 64.10 1x1g s SER 6 CO 0.13 0.00 0.38 0.61 0.41 0.00 0.00 173.24 174.77 1x1g n GLY 7 N 3.56 -0.51 3.17 3.44 0.00 -1.26 -4.91 105.19 108.68 1x1g n GLY 7 Ca -0.09 0.26 0.05 0.00 0.00 0.00 0.00 46.02 46.24 1x1g n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x1g s SER 8 N -3.90 -0.53 0.11 1.61 0.15 -1.26 -5.06 113.70 104.81 1x1g s SER 8 Ca 0.28 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.30 1x1g s SER 8 Cb -0.16 1.46 0.00 0.00 -1.71 0.00 0.00 66.02 65.61 1x1g s SER 8 CO 0.96 -0.10 0.00 -0.11 1.20 0.00 0.00 173.24 175.19 1x1g n LEU 9 N 5.40 -0.96 -0.99 3.45 0.00 -1.26 -4.35 117.00 118.29 1x1g n LEU 9 Ca -0.07 0.27 0.00 0.00 0.00 0.00 0.00 56.01 56.22 1x1g n LEU 9 Cb 0.53 1.15 0.00 0.00 0.00 0.00 0.00 43.42 45.10 1x1g n LEU 9 CO -0.09 -0.12 -0.28 -1.20 0.00 0.00 0.00 177.39 175.70 1x1g n SER 10 N -2.53 -5.76 -4.73 1.96 7.64 -1.26 -4.92 113.62 104.03 1x1g n SER 10 Ca 0.00 0.78 -0.33 0.00 1.01 0.00 0.00 58.87 60.34 1x1g n SER 10 Cb 0.00 -2.64 0.10 0.00 -1.01 0.00 0.00 64.21 60.66 1x1g n SER 10 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1x1g s THR 11 N -2.92 2.65 0.19 0.44 2.01 -1.26 -4.96 115.64 111.78 1x1g s THR 11 Ca 0.00 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.27 1x1g s THR 11 Cb 0.00 -2.68 0.00 0.00 0.01 0.00 0.00 72.50 69.83 1x1g s THR 11 CO 0.00 -0.22 0.00 0.55 -0.69 0.00 0.00 174.62 174.26 1x1g n VAL 12 N -3.17 0.00 -0.15 3.82 3.14 -1.26 -4.69 118.33 116.02 1x1g n VAL 12 Ca 0.12 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.40 1x1g n VAL 12 Cb 0.52 -0.29 -0.01 0.00 -1.06 0.00 0.00 33.84 33.00 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 0.77 -0.40 1.45 4.39 -1.99 -1.93 114.58 116.87 1x1g h GLU 13 Ca 0.00 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1x1g h GLU 13 Cb 0.00 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1x1g h GLU 13 CO 0.00 0.83 0.00 1.28 -1.16 0.00 0.00 179.01 179.96 1x1g n LEU 14 N -4.41 1.83 -3.66 1.33 4.77 -1.26 -4.33 117.00 111.27 1x1g n LEU 14 Ca -0.00 -0.92 -0.40 0.00 -0.03 0.00 0.00 56.01 54.66 1x1g n LEU 14 Cb 0.29 -0.27 0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1x1g n LEU 14 CO 0.41 0.39 1.26 -1.20 -1.33 0.00 0.00 177.39 176.92 1x1g n SER 15 N 0.33 6.91 -4.17 -1.43 7.64 -0.73 -4.97 113.62 117.21 1x1g n SER 15 Ca 0.10 -3.63 -0.11 0.00 1.01 0.00 0.00 58.87 56.24 1x1g n SER 15 Cb 0.32 -1.14 -0.10 0.00 -1.01 0.00 0.00 64.21 62.29 1x1g n SER 15 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x1g s GLY 16 N -1.61 0.85 0.05 0.23 0.00 -1.26 -3.52 107.32 102.06 1x1g s GLY 16 Ca 0.38 -1.40 -0.31 0.00 0.00 0.00 0.00 44.72 43.40 1x1g s GLY 16 CO -0.08 -1.44 1.52 -1.59 0.00 0.00 0.00 173.10 171.51 1x1g s THR 17 N -3.73 3.29 0.04 0.90 2.01 0.38 -4.42 115.64 114.11 1x1g s THR 17 Ca 0.15 0.76 -0.30 0.00 0.31 0.00 0.00 61.69 62.61 1x1g s THR 17 Cb 0.06 -3.49 -0.08 0.00 0.01 0.00 0.00 72.50 69.01 1x1g s THR 17 CO -0.03 0.01 1.71 -0.69 -0.69 0.00 0.00 174.62 174.93 1x1g s VAL 18 N 2.28 3.14 -0.08 3.82 1.01 -1.26 0.17 120.40 129.48 1x1g s VAL 18 Ca 0.69 0.45 0.09 0.00 0.00 0.00 0.00 61.98 63.20 1x1g s VAL 18 Cb -0.37 -3.29 -0.13 0.00 0.00 0.00 0.00 36.38 32.60 1x1g s VAL 18 CO 0.30 -0.02 0.07 1.33 0.00 0.00 0.00 175.10 176.78 1x1g n VAL 19 N 5.04 0.56 -3.66 2.92 0.24 0.11 -4.89 118.33 118.64 1x1g n VAL 19 Ca 0.17 -0.39 -0.14 0.00 -2.04 0.00 0.00 64.34 61.94 1x1g n VAL 19 Cb 0.41 -0.56 -0.08 0.00 -1.47 0.00 0.00 33.84 32.14 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 -2.32 0.73 -0.00 7.34 2.47 -0.93 -5.01 119.74 122.02 1x1g s LYS 20 Ca -0.05 0.67 -0.12 0.00 -1.56 0.00 0.00 55.97 54.91 1x1g s LYS 20 Cb 0.04 0.35 0.02 0.00 -1.46 0.00 0.00 37.83 36.78 1x1g s LYS 20 CO 0.41 -0.12 0.25 -0.65 0.16 0.00 0.00 175.35 175.40 1x1g s GLN 21 N -0.00 0.63 0.00 4.03 -0.21 -1.26 0.20 119.66 123.05 1x1g s GLN 21 Ca -0.02 -0.30 0.00 0.00 0.02 0.00 0.00 55.36 55.06 1x1g s GLN 21 Cb -0.04 0.27 0.00 0.00 1.00 0.00 0.00 33.01 34.25 1x1g s GLN 21 CO 0.02 -0.17 0.00 0.41 -2.12 0.00 0.00 175.29 173.43 1x1g n GLY 22 N 1.23 -0.51 3.11 3.09 0.00 -0.98 -5.01 105.19 106.12 1x1g n GLY 22 Ca -0.22 -1.19 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.99 2.61 0.40 1.61 1.51 -1.26 -1.21 117.35 118.02 1x1g s TYR 23 Ca 0.00 -1.47 0.08 0.00 -1.01 0.00 0.00 57.07 54.66 1x1g s TYR 23 Cb 0.00 -1.82 -0.05 0.00 -0.11 0.00 0.00 41.96 39.99 1x1g s TYR 23 CO 0.00 -0.73 0.20 -0.51 -1.11 0.00 0.00 175.55 173.41 1x1g s LEU 24 N 1.20 3.17 -0.30 -1.29 1.43 0.12 -4.24 118.68 118.77 1x1g s LEU 24 Ca 0.02 -0.99 0.03 0.00 -1.03 0.00 0.00 54.13 52.16 1x1g s LEU 24 Cb -0.14 -1.56 0.08 0.00 0.03 0.00 0.00 46.19 44.60 1x1g s LEU 24 CO -0.10 -0.53 -0.01 0.00 0.23 0.00 0.00 176.35 175.94 1x1g s ALA 25 N -2.56 2.62 -0.04 4.21 0.00 -0.98 0.20 121.76 125.22 1x1g s ALA 25 Ca 0.42 -2.11 -0.16 0.00 0.00 0.00 0.00 51.96 50.10 1x1g s ALA 25 Cb 0.02 -1.77 -0.05 0.00 0.00 0.00 0.00 23.12 21.32 1x1g s ALA 25 CO 0.23 -1.47 0.45 0.21 0.00 0.00 0.00 175.76 175.18 1x1g s LYS 26 N 1.05 4.12 -0.44 0.00 2.20 -0.67 -0.72 119.74 125.29 1x1g s LYS 26 Ca 0.02 0.45 -0.19 0.00 -0.36 0.00 0.00 55.97 55.89 1x1g s LYS 26 Cb -0.19 -3.31 0.03 0.00 -1.51 0.00 0.00 37.83 32.84 1x1g s LYS 26 CO -0.08 0.47 0.56 -1.14 -0.36 0.00 0.00 175.35 174.80 1x1g s GLN 27 N -0.38 3.20 0.00 4.03 -0.44 -1.12 -2.97 119.66 121.98 1x1g s GLN 27 Ca 0.25 -0.56 0.00 0.00 -2.50 0.00 0.00 55.36 52.55 1x1g s GLN 27 Cb -0.16 -3.97 0.00 0.00 -1.64 0.00 0.00 33.01 27.24 1x1g s GLN 27 CO 0.12 -0.96 0.00 0.41 0.50 0.00 0.00 175.29 175.36 1x1g n GLY 28 N 5.07 3.58 3.52 2.59 0.00 -1.26 -4.80 105.19 113.89 1x1g n GLY 28 Ca -0.04 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.38 1x1g n GLY 28 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1x1g s HIS 29 N -0.19 2.90 -0.21 1.61 2.46 -1.26 -4.96 115.29 115.65 1x1g s HIS 29 Ca 0.00 -0.03 -0.32 0.00 0.47 0.00 0.00 55.06 55.18 1x1g s HIS 29 Cb 0.00 -3.85 0.15 0.00 -0.13 0.00 0.00 32.58 28.76 1x1g s HIS 29 CO 0.00 -1.17 1.19 0.21 -2.47 0.00 0.00 174.74 172.50 1x1g s LYS 30 N 3.51 0.32 0.09 2.88 2.20 -1.26 -5.06 119.74 122.42 1x1g s LYS 30 Ca 0.28 -0.01 -0.30 0.00 -0.36 0.00 0.00 55.97 55.58 1x1g s LYS 30 Cb -0.13 0.15 -0.15 0.00 -1.51 0.00 0.00 37.83 36.18 1x1g s LYS 30 CO 0.19 -0.12 1.64 0.00 -0.36 0.00 0.00 175.35 176.71 1x1g h ARG 31 N 2.16 -0.64 -6.51 4.03 3.08 -2.05 -3.43 114.38 111.02 1x1g h ARG 31 Ca -0.12 0.04 -0.45 0.00 0.07 0.00 0.00 59.98 59.52 1x1g h ARG 31 Cb 1.17 0.14 0.24 0.00 0.08 0.00 0.00 29.97 31.61 1x1g h ARG 31 CO 0.25 -0.42 -1.43 1.17 -1.07 0.00 0.00 179.97 178.46 1x1g n LYS 32 N -5.40 -1.32 -0.00 0.04 3.00 -1.26 -5.00 118.16 108.22 1x1g n LYS 32 Ca -0.11 -0.37 0.00 0.00 -0.00 0.00 0.00 58.31 57.83 1x1g n LYS 32 Cb 0.30 -1.54 0.00 0.00 0.00 0.00 0.00 35.03 33.79 1x1g n LYS 32 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1x1g n ASN 33 N -0.58 0.00 -4.59 3.14 0.23 -1.26 -4.97 115.26 107.23 1x1g n ASN 33 Ca 0.00 -0.02 -0.41 0.00 -0.53 0.00 0.00 54.58 53.62 1x1g n ASN 33 Cb 0.65 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.36 1x1g n ASN 33 CO 0.00 0.00 0.00 0.79 -0.93 0.00 0.00 177.26 177.12 1x1g n TRP 34 N -0.03 0.89 -4.79 -2.53 7.02 -1.26 -4.90 117.44 111.83 1x1g n TRP 34 Ca 0.00 0.55 -0.33 0.00 -1.02 0.00 0.00 57.50 56.70 1x1g n TRP 34 Cb 0.00 -2.18 -0.14 0.00 -2.42 0.00 0.00 31.31 26.57 1x1g n TRP 34 CO 0.00 0.00 0.00 -1.59 -2.02 0.00 0.00 177.69 174.08 1x1g s LYS 35 N -2.04 3.09 -0.05 -0.99 0.00 -1.16 -4.99 119.74 113.61 1x1g s LYS 35 Ca 0.65 -0.67 -0.29 0.00 0.00 0.00 0.00 55.97 55.65 1x1g s LYS 35 Cb -0.55 -2.56 -0.02 0.00 0.00 0.00 0.00 37.83 34.70 1x1g s LYS 35 CO 0.56 0.37 0.95 0.08 0.00 0.00 0.00 175.35 177.31 1x1g s VAL 36 N -0.05 4.86 -0.01 1.79 1.01 -1.26 -1.67 120.40 125.08 1x1g s VAL 36 Ca -0.02 1.97 0.01 0.00 0.00 0.00 0.00 61.98 63.94 1x1g s VAL 36 Cb -0.14 -4.28 -0.00 0.00 0.00 0.00 0.00 36.38 31.96 1x1g s VAL 36 CO 0.04 0.12 -0.05 -0.60 0.00 0.00 0.00 175.10 174.60 1x1g s ARG 37 N 1.35 0.42 -0.55 2.72 3.52 0.55 -4.48 118.95 122.47 1x1g s ARG 37 Ca 0.49 -0.17 -0.28 0.00 -0.13 0.00 0.00 55.73 55.64 1x1g s ARG 37 Cb -0.20 -0.41 0.00 0.00 -1.56 0.00 0.00 34.95 32.79 1x1g s ARG 37 CO 0.23 0.10 1.54 0.50 -0.81 0.00 0.00 175.30 176.86 1x1g s ARG 38 N -0.05 3.16 0.02 5.12 3.52 0.72 0.11 118.95 131.55 1x1g s ARG 38 Ca 0.01 0.57 -0.09 0.00 -0.13 0.00 0.00 55.73 56.09 1x1g s ARG 38 Cb -0.03 -4.19 -0.05 0.00 -1.56 0.00 0.00 34.95 29.12 1x1g s ARG 38 CO -0.00 -2.10 0.33 -0.06 -0.81 0.00 0.00 175.30 172.66 1x1g s PHE 39 N 6.75 3.62 -0.04 5.12 0.40 -0.35 0.10 117.98 133.57 1x1g s PHE 39 Ca 0.58 0.73 0.04 0.00 -0.60 0.00 0.00 56.93 57.68 1x1g s PHE 39 Cb -0.12 -2.10 -0.00 0.00 0.51 0.00 0.00 43.02 41.30 1x1g s PHE 39 CO 0.25 0.60 -0.17 0.54 0.70 0.00 0.00 175.22 177.14 1x1g s VAL 40 N -1.25 1.38 -0.18 -0.44 0.11 0.19 -2.32 120.40 117.89 1x1g s VAL 40 Ca 0.27 -0.69 -0.01 0.00 -2.93 0.00 0.00 61.98 58.61 1x1g s VAL 40 Cb -0.14 -1.18 -0.01 0.00 -1.53 0.00 0.00 36.38 33.52 1x1g s VAL 40 CO 0.15 0.40 -0.11 -0.22 -3.33 0.00 0.00 175.10 171.99 1x1g s LEU 41 N 0.01 2.68 0.25 2.54 0.20 0.54 -2.28 118.68 122.61 1x1g s LEU 41 Ca -0.03 -0.41 0.05 0.00 0.69 0.00 0.00 54.13 54.43 1x1g s LEU 41 Cb -0.11 -1.64 -0.05 0.00 -0.43 0.00 0.00 46.19 43.96 1x1g s LEU 41 CO 0.02 0.06 -0.04 -0.13 -0.29 0.00 0.00 176.35 175.96 1x1g s ARG 42 N 0.99 1.43 0.00 1.98 0.52 -1.05 0.04 118.95 122.86 1x1g s ARG 42 Ca -0.01 -1.71 0.01 0.00 -0.52 0.00 0.00 55.73 53.49 1x1g s ARG 42 Cb -0.15 -0.90 -0.00 0.00 0.52 0.00 0.00 34.95 34.41 1x1g s ARG 42 CO -0.01 -0.01 -0.03 -1.59 0.02 0.00 0.00 175.30 173.68 1x1g s LYS 43 N -3.78 0.24 -0.49 3.54 -2.85 0.45 -3.38 119.74 113.47 1x1g s LYS 43 Ca 0.28 -0.16 -0.21 0.00 -1.00 0.00 0.00 55.97 54.89 1x1g s LYS 43 Cb 0.04 -0.20 0.03 0.00 -2.06 0.00 0.00 37.83 35.65 1x1g s LYS 43 CO 0.10 0.05 0.63 -3.47 0.10 0.00 0.00 175.35 172.76 1x1g n ASP 44 N 2.86 -7.03 -4.47 0.03 2.03 -1.26 0.14 116.55 108.85 1x1g n ASP 44 Ca -0.14 0.19 -0.29 0.00 0.52 0.00 0.00 54.79 55.07 1x1g n ASP 44 Cb 0.59 -4.06 0.17 0.00 -0.72 0.00 0.00 41.12 37.09 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 -2.73 0.59 -0.53 -0.67 0.04 -1.23 -3.70 135.00 126.76 1x1g s PRO 45 Ca 0.25 0.08 -0.15 0.00 0.04 0.00 0.00 61.00 61.22 1x1g s PRO 45 Cb -0.05 -1.79 0.13 0.00 0.04 0.00 0.00 34.50 32.82 1x1g s PRO 45 CO 0.81 -2.53 0.48 0.00 0.04 0.00 0.00 177.00 175.80 1x1g s ALA 46 N -3.35 3.62 0.01 8.56 0.00 -1.26 -4.59 121.76 124.75 1x1g s ALA 46 Ca 0.67 -2.55 -0.14 0.00 0.00 0.00 0.00 51.96 49.94 1x1g s ALA 46 Cb -0.12 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.82 1x1g s ALA 46 CO 0.54 -2.01 0.29 -0.06 0.00 0.00 0.00 175.76 174.52 1x1g s PHE 47 N 1.54 -0.12 -0.19 0.00 0.08 -1.22 -3.70 117.98 114.37 1x1g s PHE 47 Ca 0.04 0.10 0.00 0.00 0.12 0.00 0.00 56.93 57.19 1x1g s PHE 47 Cb -0.29 0.08 0.05 0.00 -0.57 0.00 0.00 43.02 42.28 1x1g s PHE 47 CO 0.02 -0.43 -0.06 -1.17 -0.10 0.00 0.00 175.22 173.48 1x1g s LEU 48 N -1.64 1.95 0.33 -0.37 2.96 -1.24 -2.52 118.68 118.16 1x1g s LEU 48 Ca -0.10 -0.82 0.09 0.00 -0.22 0.00 0.00 54.13 53.08 1x1g s LEU 48 Cb -0.04 -1.04 -0.05 0.00 0.50 0.00 0.00 46.19 45.56 1x1g s LEU 48 CO 0.01 -0.18 0.01 -1.00 -1.32 0.00 0.00 176.35 173.87 1x1g s HIS 49 N 1.53 2.56 0.30 5.38 3.76 -0.97 -3.16 115.29 124.70 1x1g s HIS 49 Ca -0.01 -0.41 0.04 0.00 -0.15 0.00 0.00 55.06 54.53 1x1g s HIS 49 Cb -0.16 -1.45 -0.03 0.00 1.11 0.00 0.00 32.58 32.04 1x1g s HIS 49 CO -0.08 0.49 0.19 1.52 -0.85 0.00 0.00 174.74 176.02 1x1g s TYR 50 N -2.49 1.60 -0.22 1.40 1.13 -1.26 0.56 117.35 118.07 1x1g s TYR 50 Ca 0.34 -1.47 -0.16 0.00 -1.41 0.00 0.00 57.07 54.37 1x1g s TYR 50 Cb -0.01 -0.79 0.06 0.00 -1.10 0.00 0.00 41.96 40.13 1x1g s TYR 50 CO 0.19 -0.64 0.55 0.71 -2.51 0.00 0.00 175.55 173.85 1x1g s TYR 51 N -3.61 -0.71 -0.13 -3.49 1.51 0.11 -1.40 117.35 109.65 1x1g s TYR 51 Ca 0.37 1.59 -0.29 0.00 -1.01 0.00 0.00 57.07 57.72 1x1g s TYR 51 Cb 0.04 0.32 -0.01 0.00 -0.11 0.00 0.00 41.96 42.19 1x1g s TYR 51 CO 0.20 -0.36 1.13 0.34 -1.11 0.00 0.00 175.55 175.75 1x1g s ASP 52 N 0.85 7.09 0.07 2.29 2.15 -1.26 -0.20 116.67 127.66 1x1g s ASP 52 Ca -0.04 1.63 -0.15 0.00 0.43 0.00 0.00 52.55 54.42 1x1g s ASP 52 Cb -0.05 -2.55 -0.21 0.00 -0.30 0.00 0.00 42.92 39.81 1x1g s ASP 52 CO -0.07 -0.60 1.21 1.55 -0.17 0.00 0.00 175.17 177.10 1x1g h PRO 53 N 7.50 0.68 -1.30 4.34 0.13 -1.96 -3.15 132.00 138.24 1x1g h PRO 53 Ca -0.29 -0.67 0.38 0.00 -0.87 0.00 0.00 66.00 64.55 1x1g h PRO 53 Cb 1.13 0.17 -0.07 0.00 0.13 0.00 0.00 31.00 32.36 1x1g h PRO 53 CO 0.91 1.26 0.92 1.03 -0.23 0.00 0.00 178.00 181.89 1x1g h SER 54 N 0.36 0.08 -5.65 1.44 0.87 -1.91 -3.40 113.55 105.34 1x1g h SER 54 Ca -0.10 0.02 -0.46 0.00 -1.23 0.00 0.00 61.79 60.02 1x1g h SER 54 Cb 1.53 0.01 0.08 0.00 -0.44 0.00 0.00 62.40 63.58 1x1g h SER 54 CO 0.18 -0.00 0.10 0.29 -0.53 0.00 0.00 176.83 176.86 1x1g n LYS 55 N -4.24 -0.04 -3.52 2.24 4.76 -1.19 -5.07 118.16 111.10 1x1g n LYS 55 Ca 0.29 -2.75 -0.27 0.00 -2.87 0.00 0.00 58.31 52.72 1x1g n LYS 55 Cb 1.33 -0.62 -0.10 0.00 -1.84 0.00 0.00 35.03 33.81 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 -2.78 1.34 -4.00 1.97 1.02 -1.26 -4.98 120.64 111.95 1x1g n GLU 56 Ca 0.16 -3.94 -0.08 0.00 -0.02 0.00 0.00 57.16 53.28 1x1g n GLU 56 Cb 0.59 -1.91 -0.09 0.00 -0.02 0.00 0.00 31.44 30.01 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 -1.23 0.76 -0.18 3.49 2.12 -1.26 -5.06 118.70 117.34 1x1g s GLU 57 Ca 0.32 -1.14 0.05 0.00 0.36 0.00 0.00 54.97 54.57 1x1g s GLU 57 Cb 0.06 0.27 -0.22 0.00 0.26 0.00 0.00 34.13 34.51 1x1g s GLU 57 CO -0.13 -0.20 0.11 -1.71 -0.54 0.00 0.00 175.26 172.78 1x1g n ASN 58 N 0.01 1.38 -4.75 -1.70 5.15 -1.26 -4.94 115.26 109.14 1x1g n ASN 58 Ca -0.13 0.05 -0.38 0.00 -0.60 0.00 0.00 54.58 53.53 1x1g n ASN 58 Cb 0.62 -0.13 0.04 0.00 -0.53 0.00 0.00 39.78 39.78 1x1g n ASN 58 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1x1g s ARG 59 N -2.53 3.13 0.64 1.20 0.52 -1.26 -4.99 118.95 115.67 1x1g s ARG 59 Ca -0.22 2.07 -0.13 0.00 -0.52 0.00 0.00 55.73 56.94 1x1g s ARG 59 Cb 0.08 -2.17 -0.02 0.00 0.52 0.00 0.00 34.95 33.36 1x1g s ARG 59 CO 0.73 -1.15 1.05 -1.25 0.02 0.00 0.00 175.30 174.71 1x1g s PRO 60 N -3.00 3.16 0.35 3.54 0.04 -1.26 -4.79 135.00 133.04 1x1g s PRO 60 Ca 0.73 1.06 0.17 0.00 0.04 0.00 0.00 61.00 62.99 1x1g s PRO 60 Cb -0.37 -2.02 0.60 0.00 0.04 0.00 0.00 34.50 32.76 1x1g s PRO 60 CO 0.42 -0.93 1.71 0.28 0.04 0.00 0.00 177.00 178.52 1x1g h VAL 61 N -0.14 1.03 0.00 -0.36 2.07 -1.59 -3.48 116.25 113.78 1x1g h VAL 61 Ca -0.45 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.41 1x1g h VAL 61 Cb 1.21 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 1x1g h VAL 61 CO 0.57 0.42 0.00 0.61 0.02 0.00 0.00 177.57 179.20 1x1g n GLY 62 N 0.21 1.36 0.00 2.17 0.00 -1.26 -5.08 105.19 102.60 1x1g n GLY 62 Ca -0.01 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 3.59 3.53 -0.02 0.00 -1.26 -4.65 105.19 106.38 1x1g n GLY 63 Ca 0.00 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 44.76 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 2.56 0.81 1.61 -0.71 -1.19 -5.01 117.98 116.06 1x1g s PHE 64 Ca 0.00 -0.25 -0.12 0.00 -1.04 0.00 0.00 56.93 55.52 1x1g s PHE 64 Cb 0.00 -1.28 0.08 0.00 -1.21 0.00 0.00 43.02 40.61 1x1g s PHE 64 CO 0.00 0.48 1.14 -1.54 -1.34 0.00 0.00 175.22 173.96 1x1g s SER 65 N -2.61 3.84 -0.05 1.98 1.04 -1.26 -3.64 113.70 112.99 1x1g s SER 65 Ca 0.22 2.10 -0.01 0.00 0.48 0.00 0.00 55.95 58.75 1x1g s SER 65 Cb -0.09 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.44 1x1g s SER 65 CO 0.13 -2.49 -0.06 0.18 0.98 0.00 0.00 173.24 171.98 1x1g n LEU 66 N -3.55 2.03 -0.39 2.42 4.77 -1.24 -4.60 117.00 116.43 1x1g n LEU 66 Ca 0.11 0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 56.01 1x1g n LEU 66 Cb 0.52 -0.18 -0.07 0.00 -2.33 0.00 0.00 43.42 41.36 1x1g n LEU 66 CO 0.50 0.41 0.47 -1.14 -1.33 0.00 0.00 177.39 176.30 1x1g n ARG 67 N -2.88 -0.38 -2.09 3.23 3.00 -1.26 -0.13 116.66 116.15 1x1g n ARG 67 Ca -0.10 1.42 -0.38 0.00 -0.00 0.00 0.00 57.85 58.79 1x1g n ARG 67 Cb 0.59 -2.10 0.01 0.00 0.00 0.00 0.00 32.46 30.96 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 -1.27 5.46 2.70 5.14 0.00 -1.26 -4.68 105.19 111.29 1x1g n GLY 68 Ca 0.03 -2.33 -0.16 0.00 0.00 0.00 0.00 46.02 43.56 1x1g n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x1g n SER 69 N 0.25 -0.68 -3.64 1.61 7.64 0.82 -2.22 113.62 117.40 1x1g n SER 69 Ca 0.52 -2.79 -0.14 0.00 1.01 0.00 0.00 58.87 57.47 1x1g n SER 69 Cb 0.30 1.52 -0.07 0.00 -1.01 0.00 0.00 64.21 64.95 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 0.16 0.07 -3.43 2.96 0.34 -4.84 118.68 113.94 1x1g s LEU 70 Ca 0.32 0.24 0.05 0.00 -0.22 0.00 0.00 54.13 54.52 1x1g s LEU 70 Cb 0.01 1.89 -0.03 0.00 0.50 0.00 0.00 46.19 48.56 1x1g s LEU 70 CO 0.23 -0.60 -0.14 0.54 -1.32 0.00 0.00 176.35 175.05 1x1g s VAL 71 N -1.83 1.09 0.08 1.68 0.11 -1.26 0.15 120.40 120.41 1x1g s VAL 71 Ca -0.09 -1.30 -0.26 0.00 -2.93 0.00 0.00 61.98 57.40 1x1g s VAL 71 Cb -0.02 -1.05 0.09 0.00 -1.53 0.00 0.00 36.38 33.86 1x1g s VAL 71 CO 0.03 -0.23 0.75 -0.44 -3.33 0.00 0.00 175.10 171.87 1x1g s SER 72 N -1.74 -0.46 0.27 3.54 0.01 0.04 -4.91 113.70 110.45 1x1g s SER 72 Ca -0.02 -0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.23 1x1g s SER 72 Cb -0.10 0.49 -0.04 0.00 0.21 0.00 0.00 66.02 66.59 1x1g s SER 72 CO 0.02 -0.80 0.45 0.00 0.41 0.00 0.00 173.24 173.32 1x1g s ALA 73 N -3.43 3.79 -0.25 1.44 0.00 -1.26 0.55 121.76 122.59 1x1g s ALA 73 Ca 0.03 -0.91 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 1x1g s ALA 73 Cb -0.01 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 1x1g s ALA 73 CO -0.11 0.22 0.32 -0.51 0.00 0.00 0.00 175.76 175.69 1x1g s LEU 74 N -3.81 4.07 0.63 0.00 1.43 0.20 -4.80 118.68 116.39 1x1g s LEU 74 Ca 0.38 0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 53.60 1x1g s LEU 74 Cb -0.10 -2.35 -0.13 0.00 0.03 0.00 0.00 46.19 43.63 1x1g s LEU 74 CO 0.32 -0.10 -0.35 -0.62 0.23 0.00 0.00 176.35 175.82 1x1g n GLU 75 N 4.95 0.00 -1.62 1.70 1.02 -1.26 -4.40 120.64 121.02 1x1g n GLU 75 Ca -0.10 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.67 1x1g n GLU 75 Cb 0.51 -0.89 -0.03 0.00 -0.02 0.00 0.00 31.44 31.01 1x1g n GLU 75 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1x1g s ASP 76 N -0.89 4.61 -0.28 1.62 1.01 -1.26 -4.83 116.67 116.65 1x1g s ASP 76 Ca 0.45 1.04 -0.22 0.00 0.71 0.00 0.00 52.55 54.52 1x1g s ASP 76 Cb -0.33 -2.50 0.11 0.00 1.01 0.00 0.00 42.92 41.20 1x1g s ASP 76 CO 0.65 -2.76 0.90 0.20 0.21 0.00 0.00 175.17 174.37 1x1g s ASN 77 N 11.42 -0.60 0.00 0.27 0.01 -1.26 -5.09 114.94 119.68 1x1g s ASN 77 Ca 0.94 1.09 0.00 0.00 -0.71 0.00 0.00 52.86 54.18 1x1g s ASN 77 Cb -0.17 1.15 0.00 0.00 0.41 0.00 0.00 41.25 42.63 1x1g s ASN 77 CO 0.26 -0.18 0.33 0.61 -1.51 0.00 0.00 177.10 176.60 1x1g n GLY 78 N 2.86 -2.41 3.16 0.66 0.00 -1.26 -4.52 105.19 103.67 1x1g n GLY 78 Ca -0.15 0.52 -0.28 0.00 0.00 0.00 0.00 46.02 46.10 1x1g n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x1g s VAL 79 N -0.80 1.65 0.00 1.61 0.11 -1.26 -2.93 120.40 118.78 1x1g s VAL 79 Ca 0.00 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.24 1x1g s VAL 79 Cb 0.00 -1.43 0.00 0.00 -1.53 0.00 0.00 36.38 33.42 1x1g s VAL 79 CO 0.00 0.47 0.00 -0.81 -3.33 0.00 0.00 175.10 171.43 1x1g n PRO 80 N 3.35 0.49 -1.47 1.54 -0.04 -1.26 -4.77 135.00 132.85 1x1g n PRO 80 Ca -0.19 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.83 1x1g n PRO 80 Cb 0.53 0.00 -0.13 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 -0.93 -0.00 0.00 0.52 -1.04 -1.26 -4.01 114.28 107.56 1x1g n THR 81 Ca 0.00 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 1x1g n THR 81 Cb 0.00 -0.84 0.00 0.00 -1.82 0.00 0.00 70.33 67.67 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 6.59 0.19 3.81 3.41 0.00 -1.26 -4.80 105.19 113.13 1x1g n GLY 82 Ca 0.60 0.71 -0.29 0.00 0.00 0.00 0.00 46.02 47.04 1x1g n GLY 82 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1x1g n VAL 83 N 0.00 -2.79 -1.32 1.61 0.31 -1.26 -4.75 118.33 110.14 1x1g n VAL 83 Ca 0.00 -0.16 -0.38 0.00 -0.01 0.00 0.00 64.34 63.79 1x1g n VAL 83 Cb 0.00 -2.46 0.03 0.00 -0.91 0.00 0.00 33.84 30.50 1x1g n VAL 83 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1x1g n LYS 84 N -3.13 0.24 0.00 5.55 -0.00 -1.26 -2.69 118.16 116.88 1x1g n LYS 84 Ca -0.25 0.10 0.00 0.00 -0.00 0.00 0.00 58.31 58.16 1x1g n LYS 84 Cb 0.61 -1.40 0.00 0.00 -0.00 0.00 0.00 35.03 34.24 1x1g n LYS 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x1g n GLY 85 N 2.16 2.91 2.66 2.58 0.00 -1.26 -4.88 105.19 109.35 1x1g n GLY 85 Ca 0.09 -0.75 -0.05 0.00 0.00 0.00 0.00 46.02 45.31 1x1g n GLY 85 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x1g n ASN 86 N 1.93 -1.10 -0.02 1.61 4.13 -1.09 -4.97 115.26 115.75 1x1g n ASN 86 Ca 0.00 1.31 0.04 0.00 1.68 0.00 0.00 54.58 57.61 1x1g n ASN 86 Cb 0.00 -4.86 -0.10 0.00 -1.54 0.00 0.00 39.78 33.28 1x1g n ASN 86 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1x1g n VAL 87 N 1.83 0.19 -0.80 2.41 0.31 -1.26 -5.00 118.33 116.00 1x1g n VAL 87 Ca -0.39 -0.35 0.01 0.00 -0.01 0.00 0.00 64.34 63.60 1x1g n VAL 87 Cb 0.60 -0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.52 1x1g n VAL 87 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x1g n GLN 88 N -2.07 -0.13 -0.00 5.55 10.64 -1.15 -4.92 117.38 125.29 1x1g n GLN 88 Ca -0.06 0.09 0.00 0.00 -1.83 0.00 0.00 57.00 55.19 1x1g n GLN 88 Cb 0.47 -0.16 0.00 0.00 -0.86 0.00 0.00 30.24 29.69 1x1g n GLN 88 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1x1g n GLY 89 N -0.29 1.42 3.36 2.61 0.00 -1.26 -4.40 105.19 106.63 1x1g n GLY 89 Ca 0.00 -0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 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 0.01 -2.38 -3.25 1.61 3.02 -1.26 -4.98 115.26 108.02 1x1g n ASN 90 Ca 0.00 -0.61 -0.27 0.00 -0.03 0.00 0.00 54.58 53.67 1x1g n ASN 90 Cb 0.00 -5.03 0.25 0.00 -0.61 0.00 0.00 39.78 34.38 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 -3.99 0.00 -4.09 3.41 4.32 -1.26 -4.53 117.00 110.85 1x1g n LEU 91 Ca -0.27 -0.83 -0.07 0.00 -0.02 0.00 0.00 56.01 54.82 1x1g n LEU 91 Cb 0.66 -0.87 -0.10 0.00 -1.62 0.00 0.00 43.42 41.49 1x1g n LEU 91 CO 0.60 -2.52 -0.36 0.72 -1.22 0.00 0.00 177.39 174.61 1x1g s PHE 92 N -2.16 0.53 0.27 -1.77 -0.71 -1.22 0.59 117.98 113.52 1x1g s PHE 92 Ca 0.59 -1.06 0.06 0.00 -1.04 0.00 0.00 56.93 55.48 1x1g s PHE 92 Cb -0.09 -0.39 -0.06 0.00 -1.21 0.00 0.00 43.02 41.27 1x1g s PHE 92 CO 0.49 -0.37 -0.05 -1.59 -1.34 0.00 0.00 175.22 172.36 1x1g s LYS 93 N -3.91 1.50 -0.27 1.99 0.00 0.19 -1.38 119.74 117.86 1x1g s LYS 93 Ca 0.07 -1.76 0.01 0.00 0.00 0.00 0.00 55.97 54.29 1x1g s LYS 93 Cb 0.08 -1.04 0.08 0.00 0.00 0.00 0.00 37.83 36.95 1x1g s LYS 93 CO -0.10 0.01 -0.00 0.08 0.00 0.00 0.00 175.35 175.34 1x1g s VAL 94 N -3.10 1.60 -0.58 1.79 1.01 -0.32 -0.78 120.40 120.02 1x1g s VAL 94 Ca 0.29 -1.53 -0.25 0.00 0.00 0.00 0.00 61.98 60.49 1x1g s VAL 94 Cb 0.04 -1.99 0.04 0.00 0.00 0.00 0.00 36.38 34.47 1x1g s VAL 94 CO 0.11 -0.33 1.03 -0.63 0.00 0.00 0.00 175.10 175.28 1x1g s ILE 95 N 1.31 4.25 0.00 2.22 1.01 0.39 -0.43 121.20 129.95 1x1g s ILE 95 Ca 0.01 0.38 0.00 0.00 0.00 0.00 0.00 60.65 61.04 1x1g s ILE 95 Cb -0.19 -4.62 0.00 0.00 0.01 0.00 0.00 42.46 37.66 1x1g s ILE 95 CO -0.10 -1.25 0.00 0.35 0.00 0.00 0.00 174.94 173.94 1x1g n THR 96 N 6.30 0.00 0.24 2.92 -2.24 -1.26 0.13 114.28 120.36 1x1g n THR 96 Ca 0.03 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.93 1x1g n THR 96 Cb 0.48 -1.67 0.19 0.00 -2.10 0.00 0.00 70.33 67.22 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 -0.75 -0.78 2.10 -1.81 -3.01 116.57 112.31 1x1g h LYS 97 Ca 0.00 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.44 1x1g h LYS 97 Cb 0.00 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 31.21 1x1g h LYS 97 CO 0.00 0.00 0.26 -3.47 -2.00 0.00 0.00 179.45 174.24 1x1g n ASP 98 N -3.06 4.93 -4.28 7.07 2.03 -1.26 -4.91 116.55 117.07 1x1g n ASP 98 Ca 0.04 -3.20 -0.33 0.00 0.52 0.00 0.00 54.79 51.82 1x1g n ASP 98 Cb 0.52 -0.75 -0.09 0.00 -0.72 0.00 0.00 41.12 40.09 1x1g n ASP 98 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1x1g n ASP 99 N -0.09 -0.06 0.02 1.67 8.00 -1.14 -4.82 116.55 120.14 1x1g n ASP 99 Ca 0.41 -1.20 -0.09 0.00 0.71 0.00 0.00 54.79 54.62 1x1g n ASP 99 Cb 1.39 -1.51 -0.07 0.00 -0.02 0.00 0.00 41.12 40.92 1x1g n ASP 99 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1x1g h THR 100 N -1.34 0.76 -3.19 -3.53 2.02 -1.85 -3.47 112.91 102.31 1x1g h THR 100 Ca -0.60 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 65.31 1x1g h THR 100 Cb 1.32 1.34 -0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1x1g h THR 100 CO 0.74 0.22 -0.10 1.41 0.37 0.00 0.00 175.52 178.16 1x1g n HIS 101 N -4.86 -0.37 -3.33 3.16 8.25 -1.05 -4.95 115.22 112.07 1x1g n HIS 101 Ca -0.06 0.17 -0.44 0.00 -0.26 0.00 0.00 57.72 57.13 1x1g n HIS 101 Cb 0.24 -1.73 -0.08 0.00 1.12 0.00 0.00 29.99 29.54 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 -0.14 3.19 0.04 4.41 2.02 0.42 -4.71 117.35 122.57 1x1g s TYR 102 Ca -0.00 -0.72 -0.30 0.00 -0.37 0.00 0.00 57.07 55.68 1x1g s TYR 102 Cb 0.00 -3.15 -0.05 0.00 -0.40 0.00 0.00 41.96 38.36 1x1g s TYR 102 CO 0.07 -0.82 1.11 0.71 -1.57 0.00 0.00 175.55 175.05 1x1g s TYR 103 N 1.96 3.53 0.22 2.71 1.51 -1.26 -1.18 117.35 124.85 1x1g s TYR 103 Ca 0.08 1.47 0.02 0.00 -1.01 0.00 0.00 57.07 57.63 1x1g s TYR 103 Cb -0.21 -3.29 -0.05 0.00 -0.11 0.00 0.00 41.96 38.29 1x1g s TYR 103 CO 0.09 -0.74 0.05 0.42 -1.11 0.00 0.00 175.55 174.26 1x1g s ILE 104 N 1.04 0.64 0.08 2.71 1.01 -0.48 -2.78 121.20 123.41 1x1g s ILE 104 Ca 0.56 -2.00 0.09 0.00 0.00 0.00 0.00 60.65 59.30 1x1g s ILE 104 Cb -0.26 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.76 1x1g s ILE 104 CO 0.29 -0.20 -0.23 -1.58 0.00 0.00 0.00 174.94 173.21 1x1g s GLN 105 N -3.98 1.40 0.17 2.79 0.74 0.10 -3.38 119.66 117.50 1x1g s GLN 105 Ca 0.32 -1.11 0.05 0.00 0.05 0.00 0.00 55.36 54.67 1x1g s GLN 105 Cb 0.07 -1.63 -0.04 0.00 1.10 0.00 0.00 33.01 32.51 1x1g s GLN 105 CO 0.10 0.40 0.14 0.00 -0.55 0.00 0.00 175.29 175.38 1x1g s ALA 106 N -0.95 3.56 0.07 1.58 0.00 -1.26 -2.32 121.76 122.44 1x1g s ALA 106 Ca 0.09 -1.24 -0.27 0.00 0.00 0.00 0.00 51.96 50.55 1x1g s ALA 106 Cb -0.10 -1.35 -0.17 0.00 0.00 0.00 0.00 23.12 21.51 1x1g s ALA 106 CO 0.03 0.48 1.63 0.77 0.00 0.00 0.00 175.76 178.67 1x1g h SER 107 N 2.33 -0.29 -3.50 0.00 0.02 -1.90 -3.46 113.55 106.75 1x1g h SER 107 Ca -0.48 -0.03 -0.46 0.00 -0.84 0.00 0.00 61.79 59.98 1x1g h SER 107 Cb 1.20 0.08 -0.14 0.00 0.14 0.00 0.00 62.40 63.68 1x1g h SER 107 CO 0.63 -0.16 -0.59 -0.44 -1.14 0.00 0.00 176.83 175.13 1x1g s SER 108 N -4.94 2.21 0.16 3.07 0.01 -1.26 -5.00 113.70 107.94 1x1g s SER 108 Ca -0.15 -1.45 -0.17 0.00 1.31 0.00 0.00 55.95 55.49 1x1g s SER 108 Cb 0.04 0.11 0.07 0.00 0.21 0.00 0.00 66.02 66.45 1x1g s SER 108 CO 0.64 -0.71 1.70 0.11 0.41 0.00 0.00 173.24 175.39 1x1g h LYS 109 N 2.10 0.08 0.12 12.44 6.56 -1.95 -0.53 116.57 135.39 1x1g h LYS 109 Ca -0.39 -0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.19 1x1g h LYS 109 Cb 1.25 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.90 1x1g h LYS 109 CO 0.65 0.05 -0.06 0.00 -2.06 0.00 0.00 179.45 178.03 1x1g h ALA 110 N 1.31 -0.16 -1.08 3.86 0.00 -1.99 -2.15 119.26 119.05 1x1g h ALA 110 Ca 0.17 -0.06 0.32 0.00 0.00 0.00 0.00 54.91 55.33 1x1g h ALA 110 Cb 0.24 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 17.97 1x1g h ALA 110 CO -0.30 -0.56 0.66 1.49 0.00 0.00 0.00 179.25 180.54 1x1g h GLU 111 N -0.22 0.32 0.00 0.00 4.57 -1.76 0.14 114.58 117.62 1x1g h GLU 111 Ca -0.02 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1x1g h GLU 111 Cb 0.18 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1x1g h GLU 111 CO 0.03 0.21 0.00 -2.13 -1.18 0.00 0.00 179.01 175.94 1x1g n ARG 112 N -4.82 0.00 -0.46 1.92 0.63 -0.28 0.14 116.66 113.79 1x1g n ARG 112 Ca 0.30 0.16 0.39 0.00 -0.92 0.00 0.00 57.85 57.78 1x1g n ARG 112 Cb 1.01 -1.11 0.66 0.00 0.45 0.00 0.00 32.46 33.48 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 -0.98 1.33 0.12 5.13 0.00 -0.97 0.11 120.51 125.25 1x1g n ALA 113 Ca 0.00 0.87 -0.12 0.00 0.00 0.00 0.00 53.44 54.19 1x1g n ALA 113 Cb 0.00 -1.04 -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 -0.33 -0.12 0.00 4.39 -0.60 0.72 114.58 118.64 1x1g h GLU 114 Ca 0.87 0.02 0.03 0.00 0.34 0.00 0.00 59.36 60.62 1x1g h GLU 114 Cb 2.77 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 31.49 1x1g h GLU 114 CO -0.48 0.03 0.18 -1.49 -1.16 0.00 0.00 179.01 176.10 1x1g h TRP 115 N -0.83 0.00 0.00 4.33 4.06 0.87 0.18 115.95 124.56 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 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.67 1x1g h TRP 115 CO 0.05 0.00 0.00 -0.89 -3.56 0.00 0.00 178.44 174.04 1x1g n ILE 116 N -3.53 0.00 -0.31 1.49 5.41 0.21 -3.38 119.36 119.25 1x1g n ILE 116 Ca 0.00 0.21 0.30 0.00 1.00 0.00 0.00 62.75 64.26 1x1g n ILE 116 Cb 0.28 -0.74 0.53 0.00 -0.71 0.00 0.00 39.64 39.00 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 -1.28 -0.05 0.19 0.38 2.13 0.25 0.55 120.64 122.81 1x1g n GLU 117 Ca 0.00 1.16 -0.11 0.00 0.66 0.00 0.00 57.16 58.87 1x1g n GLU 117 Cb 0.00 -2.14 -0.06 0.00 0.27 0.00 0.00 31.44 29.51 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 1.64 -1.01 -0.57 4.31 0.00 -0.80 -0.60 119.26 122.22 1x1g h ALA 118 Ca 0.74 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.64 1x1g h ALA 118 Cb 2.08 0.53 -0.11 0.00 0.00 0.00 0.00 17.79 20.29 1x1g h ALA 118 CO -0.60 -1.02 -0.29 0.82 0.00 0.00 0.00 179.25 178.16 1x1g h ILE 119 N -0.63 0.23 -0.88 0.00 2.04 0.10 0.47 117.51 118.85 1x1g h ILE 119 Ca -0.04 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.05 1x1g h ILE 119 Cb 0.54 0.23 -0.15 0.00 -0.74 0.00 0.00 36.82 36.70 1x1g h ILE 119 CO -0.03 0.00 0.17 0.11 0.00 0.00 0.00 178.15 178.40 1x1g h LYS 120 N -0.14 0.15 -0.04 2.37 1.57 -0.96 0.38 116.57 119.90 1x1g h LYS 120 Ca 0.24 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.05 1x1g h LYS 120 Cb 0.53 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.75 1x1g h LYS 120 CO -0.65 0.10 -0.36 0.87 -0.57 0.00 0.00 179.45 178.84 1x1g h LYS 121 N 0.16 -0.47 0.14 3.15 1.57 0.15 1.43 116.57 122.70 1x1g h LYS 121 Ca 0.54 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.37 1x1g h LYS 121 Cb 1.09 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.47 1x1g h LYS 121 CO -0.70 -0.32 -0.28 -0.07 -0.57 0.00 0.00 179.45 177.51 1x1g h LEU 122 N -0.49 -0.80 -1.90 2.94 -0.00 0.01 -0.03 115.31 115.04 1x1g h LEU 122 Ca 0.07 0.09 0.11 0.00 -0.00 0.00 0.00 57.88 58.15 1x1g h LEU 122 Cb 0.59 0.30 -0.02 0.00 -0.00 0.00 0.00 40.66 41.53 1x1g h LEU 122 CO -0.31 -0.38 0.31 0.71 -0.00 0.00 0.00 178.44 178.77 1x1g h THR 123 N -0.51 0.83 -0.66 0.22 1.35 -0.07 -3.43 112.91 110.63 1x1g h THR 123 Ca 0.02 -0.04 0.22 0.00 -0.55 0.00 0.00 66.41 66.07 1x1g h THR 123 Cb 0.53 0.71 -0.29 0.00 -1.73 0.00 0.00 68.15 67.37 1x1g h THR 123 CO -0.15 0.02 0.57 -0.94 -0.25 0.00 0.00 175.52 174.77 1x1g s SER 124 N -6.39 -0.15 -0.32 5.36 1.04 0.49 -4.93 113.70 108.80 1x1g s SER 124 Ca -0.06 0.23 -0.29 0.00 0.48 0.00 0.00 55.95 56.31 1x1g s SER 124 Cb 0.19 1.13 0.01 0.00 0.10 0.00 0.00 66.02 67.46 1x1g s SER 124 CO 0.72 -0.03 1.12 -0.83 0.98 0.00 0.00 173.24 175.20 1x1g s GLY 125 N 1.68 1.51 -0.13 7.32 0.00 -0.62 -3.42 107.32 113.67 1x1g s GLY 125 Ca -0.04 -0.04 -0.29 0.00 0.00 0.00 0.00 44.72 44.35 1x1g s GLY 125 CO -0.14 2.34 1.26 2.56 0.00 0.00 0.00 173.10 179.12 1x1g s PRO 126 N 3.78 4.26 -0.11 2.90 0.04 -1.26 -4.27 135.00 140.34 1x1g s PRO 126 Ca 0.48 1.68 -0.09 0.00 0.04 0.00 0.00 61.00 63.11 1x1g s PRO 126 Cb -0.13 -3.71 0.01 0.00 0.04 0.00 0.00 34.50 30.71 1x1g s PRO 126 CO 0.17 -0.64 0.15 0.45 0.04 0.00 0.00 177.00 177.17 1x1g n SER 127 N 6.24 -6.39 -3.60 6.66 2.88 -1.26 -5.00 113.62 113.15 1x1g n SER 127 Ca 0.13 0.31 -0.14 0.00 -1.33 0.00 0.00 58.87 57.85 1x1g n SER 127 Cb 0.45 -1.73 -0.07 0.00 -0.75 0.00 0.00 64.21 62.11 1x1g n SER 127 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x1g s SER 128 N -1.13 -0.63 0.00 -3.46 0.15 -1.26 -5.28 113.70 102.08 1x1g s SER 128 Ca 0.09 1.07 0.00 0.00 0.70 0.00 0.00 55.95 57.80 1x1g s SER 128 Cb -0.01 1.03 0.00 0.00 -1.71 0.00 0.00 66.02 65.33 1x1g s SER 128 CO 0.22 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.95