#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4e s THR 5 N 0.00 -0.47 -0.12 7.28 2.01 -1.26 -2.35 115.64 120.73 1s4e s THR 5 Ca 0.00 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.13 1s4e s THR 5 Cb 0.00 -0.59 -0.01 0.00 0.01 0.00 0.00 72.50 71.91 1s4e s THR 5 CO 0.00 0.00 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.10 1s4e s VAL 6 N 2.45 2.93 0.30 3.82 1.01 -0.94 -4.98 120.40 124.99 1s4e s VAL 6 Ca 0.04 -0.71 -0.15 0.00 0.00 0.00 0.00 61.98 61.17 1s4e s VAL 6 Cb -0.13 -2.22 -0.09 0.00 0.00 0.00 0.00 36.38 33.94 1s4e s VAL 6 CO -0.11 0.53 0.71 -0.54 0.00 0.00 0.00 175.10 175.69 1s4e s LYS 7 N 0.29 4.00 -0.17 2.72 3.01 -1.26 -1.92 119.74 126.41 1s4e s LYS 7 Ca -0.11 0.63 -0.04 0.00 -1.01 0.00 0.00 55.97 55.45 1s4e s LYS 7 Cb -0.16 -2.50 0.07 0.00 -1.01 0.00 0.00 37.83 34.23 1s4e s LYS 7 CO 0.06 0.20 0.17 0.45 0.51 0.00 0.00 175.35 176.75 1s4e s SER 8 N -2.22 1.47 0.74 2.83 0.15 0.66 -4.45 113.70 112.88 1s4e s SER 8 Ca 0.52 -0.19 -0.11 0.00 0.70 0.00 0.00 55.95 56.87 1s4e s SER 8 Cb -0.11 0.20 0.04 0.00 -1.71 0.00 0.00 66.02 64.44 1s4e s SER 8 CO 0.18 -0.31 1.08 -2.16 1.20 0.00 0.00 173.24 173.22 1s4e s PRO 9 N 2.27 2.54 0.00 5.44 0.04 -1.26 -0.45 135.00 143.58 1s4e s PRO 9 Ca 0.05 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1s4e s PRO 9 Cb -0.15 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1s4e s PRO 9 CO -0.10 -1.39 0.00 0.41 0.04 0.00 0.00 177.00 175.96 1s4e n GLY 10 N -1.71 0.99 3.30 0.56 0.00 -0.88 -4.20 105.19 103.25 1s4e n GLY 10 Ca 0.08 -1.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.07 1s4e n GLY 10 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1s4e s ARG 11 N 1.43 0.90 0.14 1.61 1.04 -0.96 -1.74 118.95 121.37 1s4e s ARG 11 Ca 0.00 -0.43 0.09 0.00 -1.04 0.00 0.00 55.73 54.34 1s4e s ARG 11 Cb 0.00 0.40 -0.04 0.00 -2.04 0.00 0.00 34.95 33.26 1s4e s ARG 11 CO 0.00 -0.30 -0.14 0.08 -0.04 0.00 0.00 175.30 174.89 1s4e s VAL 12 N -2.60 3.02 -0.27 4.99 1.01 -1.26 -4.51 120.40 120.79 1s4e s VAL 12 Ca -0.05 -1.56 -0.05 0.00 0.00 0.00 0.00 61.98 60.33 1s4e s VAL 12 Cb -0.01 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.95 1s4e s VAL 12 CO -0.03 0.01 0.02 0.21 0.00 0.00 0.00 175.10 175.31 1s4e s ASN 13 N -2.43 4.77 0.17 3.32 2.47 -1.26 -4.47 114.94 117.49 1s4e s ASN 13 Ca 0.21 -0.72 -0.10 0.00 0.42 0.00 0.00 52.86 52.68 1s4e s ASN 13 Cb -0.10 -1.79 0.03 0.00 -1.45 0.00 0.00 41.25 37.94 1s4e s ASN 13 CO 0.12 -0.15 1.57 0.25 -3.72 0.00 0.00 177.10 175.18 1s4e h LEU 14 N 8.14 1.03 -7.33 3.21 7.12 -1.98 -3.46 115.31 122.05 1s4e h LEU 14 Ca -0.33 -0.37 0.21 0.00 0.13 0.00 0.00 57.88 57.53 1s4e h LEU 14 Cb 1.12 -0.28 -0.12 0.00 -0.53 0.00 0.00 40.66 40.85 1s4e h LEU 14 CO 0.59 1.17 0.62 -0.51 -0.13 0.00 0.00 178.44 180.18 1s4e s ILE 15 N -4.75 0.00 0.00 4.05 -1.16 -1.26 -4.96 121.20 113.12 1s4e s ILE 15 Ca -0.11 -0.33 0.00 0.00 -0.51 0.00 0.00 60.65 59.70 1s4e s ILE 15 Cb 0.13 -1.68 0.00 0.00 0.61 0.00 0.00 42.46 41.52 1s4e s ILE 15 CO 0.87 0.00 0.00 0.61 -2.81 0.00 0.00 174.94 173.61 1s4e n GLY 16 N -0.39 0.31 3.70 1.50 0.00 -1.26 -4.57 105.19 104.47 1s4e n GLY 16 Ca -0.06 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 1s4e n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s4e s GLU 17 N -2.79 2.99 -1.36 1.61 2.56 -1.26 -4.41 118.70 116.04 1s4e s GLU 17 Ca 0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 54.97 54.51 1s4e s GLU 17 Cb 0.00 -2.81 0.02 0.00 2.00 0.00 0.00 34.13 33.35 1s4e s GLU 17 CO 0.00 0.70 0.87 0.72 -0.56 0.00 0.00 175.26 176.99 1s4e n HIS 18 N 2.02 -2.16 0.00 5.30 8.25 -1.26 -4.90 115.22 122.48 1s4e n HIS 18 Ca -0.18 0.89 0.00 0.00 -0.26 0.00 0.00 57.72 58.17 1s4e n HIS 18 Cb 0.54 -4.45 0.00 0.00 1.12 0.00 0.00 29.99 27.20 1s4e n HIS 18 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1s4e n THR 19 N -4.45 0.00 0.52 1.59 5.66 -1.26 -4.83 114.28 111.51 1s4e n THR 19 Ca -0.17 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 60.95 1s4e n THR 19 Cb 0.62 0.13 0.27 0.00 -1.55 0.00 0.00 70.33 69.81 1s4e n THR 19 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 1s4e h ASP 20 N 0.00 0.00 -0.05 1.09 -0.00 -1.86 -1.50 116.42 114.09 1s4e h ASP 20 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 57.03 56.96 1s4e h ASP 20 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.48 1s4e h ASP 20 CO 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 179.24 179.28 1s4e n TYR 21 N -2.36 0.06 -0.98 4.15 0.18 -1.26 -2.98 117.16 113.97 1s4e n TYR 21 Ca 0.04 -0.03 0.08 0.00 1.88 0.00 0.00 57.90 59.87 1s4e n TYR 21 Cb 0.46 0.00 0.11 0.00 -0.38 0.00 0.00 39.34 39.52 1s4e n TYR 21 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1s4e n THR 22 N -0.02 1.58 -3.33 -3.48 -2.24 -1.14 -4.83 114.28 100.83 1s4e n THR 22 Ca 0.19 -1.87 -0.17 0.00 -2.27 0.00 0.00 64.05 59.93 1s4e n THR 22 Cb 0.29 -0.05 0.08 0.00 -2.10 0.00 0.00 70.33 68.55 1s4e n THR 22 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1s4e n TYR 23 N -1.16 -2.12 -1.67 4.78 4.02 -1.11 -0.11 117.16 119.79 1s4e n TYR 23 Ca 0.12 0.85 0.00 0.00 -0.01 0.00 0.00 57.90 58.86 1s4e n TYR 23 Cb 0.58 -4.68 0.00 0.00 -0.02 0.00 0.00 39.34 35.22 1s4e n TYR 23 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1s4e n GLY 24 N -1.33 2.67 3.91 2.72 0.00 -0.58 -3.94 105.19 108.63 1s4e n GLY 24 Ca -0.18 -1.96 -0.32 0.00 0.00 0.00 0.00 46.02 43.56 1s4e n GLY 24 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s4e s TYR 25 N 2.33 3.51 0.00 1.61 1.51 -1.26 -1.98 117.35 123.07 1s4e s TYR 25 Ca 0.00 0.41 0.00 0.00 -1.01 0.00 0.00 57.07 56.47 1s4e s TYR 25 Cb 0.00 -1.88 0.00 0.00 -0.11 0.00 0.00 41.96 39.97 1s4e s TYR 25 CO 0.00 0.53 0.00 0.28 -1.11 0.00 0.00 175.55 175.25 1s4e n VAL 26 N 0.31 0.00 -1.18 0.71 0.31 -0.49 -4.51 118.33 113.48 1s4e n VAL 26 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1s4e n VAL 26 Cb 0.51 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 1s4e n VAL 26 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1s4e n PRO 28 N 0.00 0.00 -4.13 5.55 -0.04 -1.18 -1.43 135.00 133.76 1s4e n PRO 28 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 1s4e n PRO 28 Cb 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.34 1s4e n PRO 28 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s4e s ALA 30 N -1.00 3.13 0.35 0.55 0.00 -1.26 -0.80 121.76 122.73 1s4e s ALA 30 Ca 0.00 -0.88 -0.06 0.00 0.00 0.00 0.00 51.96 51.02 1s4e s ALA 30 Cb 0.00 -1.77 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 1s4e s ALA 30 CO 0.00 0.02 0.63 0.96 0.00 0.00 0.00 175.76 177.37 1s4e s ILE 31 N 0.69 4.96 -0.25 0.00 -0.00 -0.71 0.20 121.20 126.09 1s4e s ILE 31 Ca 0.00 0.15 -0.01 0.00 -0.00 0.00 0.00 60.65 60.79 1s4e s ILE 31 Cb -0.14 -3.76 0.12 0.00 -0.00 0.00 0.00 42.46 38.68 1s4e s ILE 31 CO 0.02 -0.46 2.19 -0.90 -0.00 0.00 0.00 174.94 175.79 1s4e n ASP 32 N -1.28 6.17 -4.50 4.36 5.75 -1.11 -3.80 116.55 122.13 1s4e n ASP 32 Ca -0.01 -2.91 -0.33 0.00 -0.01 0.00 0.00 54.79 51.53 1s4e n ASP 32 Cb 0.54 -1.11 -0.12 0.00 -1.03 0.00 0.00 41.12 39.40 1s4e n ASP 32 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1s4e s LEU 33 N -1.37 2.96 0.05 -2.12 1.43 -1.26 -4.96 118.68 113.40 1s4e s LEU 33 Ca 0.30 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.30 1s4e s LEU 33 Cb 0.21 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 1s4e s LEU 33 CO -0.03 0.30 -0.12 -0.31 0.23 0.00 0.00 176.35 176.42 1s4e s TYR 34 N -0.47 1.08 0.12 0.29 1.51 -1.26 -2.07 117.35 116.54 1s4e s TYR 34 Ca 0.06 -0.39 -0.18 0.00 -1.01 0.00 0.00 57.07 55.55 1s4e s TYR 34 Cb -0.12 -0.63 -0.07 0.00 -0.11 0.00 0.00 41.96 41.03 1s4e s TYR 34 CO 0.02 0.02 0.59 0.99 -1.11 0.00 0.00 175.55 176.06 1s4e s THR 35 N -1.01 4.74 -0.05 -0.71 2.01 0.40 -1.71 115.64 119.30 1s4e s THR 35 Ca -0.01 1.13 0.06 0.00 0.31 0.00 0.00 61.69 63.17 1s4e s THR 35 Cb -0.08 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 1s4e s THR 35 CO 0.01 0.42 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.50 1s4e s ILE 36 N -1.27 1.90 -0.18 1.82 1.01 -0.14 -0.25 121.20 124.10 1s4e s ILE 36 Ca 0.34 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 60.00 1s4e s ILE 36 Cb -0.18 -1.60 0.04 0.00 0.01 0.00 0.00 42.46 40.72 1s4e s ILE 36 CO 0.20 0.53 -0.11 -0.63 0.00 0.00 0.00 174.94 174.93 1s4e s ILE 37 N -0.21 1.56 -0.34 2.92 1.01 -0.81 -1.48 121.20 123.85 1s4e s ILE 37 Ca -0.01 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 59.70 1s4e s ILE 37 Cb -0.12 -1.58 -0.00 0.00 0.01 0.00 0.00 42.46 40.76 1s4e s ILE 37 CO 0.02 0.27 0.20 -0.89 0.00 0.00 0.00 174.94 174.54 1s4e s THR 38 N 1.46 4.89 0.05 2.92 2.01 -0.71 -2.23 115.64 124.02 1s4e s THR 38 Ca 0.01 -0.42 -0.09 0.00 0.31 0.00 0.00 61.69 61.50 1s4e s THR 38 Cb -0.15 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 68.82 1s4e s THR 38 CO -0.09 -0.03 0.19 0.00 -0.69 0.00 0.00 174.62 174.01 1s4e s ALA 39 N 1.65 -0.33 0.48 7.40 0.00 -0.99 -0.74 121.76 129.23 1s4e s ALA 39 Ca 0.05 -0.36 0.02 0.00 0.00 0.00 0.00 51.96 51.66 1s4e s ALA 39 Cb -0.18 0.33 -0.02 0.00 0.00 0.00 0.00 23.12 23.26 1s4e s ALA 39 CO 0.08 -0.40 0.04 -1.21 0.00 0.00 0.00 175.76 174.28 1s4e s GLU 40 N -2.88 2.12 0.02 0.00 8.01 -0.66 -2.67 118.70 122.64 1s4e s GLU 40 Ca -0.03 -2.34 -0.20 0.00 0.01 0.00 0.00 54.97 52.42 1s4e s GLU 40 Cb 0.00 -1.24 -0.06 0.00 -4.31 0.00 0.00 34.13 28.53 1s4e s GLU 40 CO -0.06 -0.40 0.57 0.15 0.01 0.00 0.00 175.26 175.53 1s4e s LYS 41 N -3.82 4.25 0.00 1.61 -0.14 -1.26 -2.66 119.74 117.72 1s4e s LYS 41 Ca 0.11 0.70 0.00 0.00 -1.36 0.00 0.00 55.97 55.42 1s4e s LYS 41 Cb 0.02 -3.30 0.00 0.00 -1.68 0.00 0.00 37.83 32.86 1s4e s LYS 41 CO 0.06 0.47 0.00 0.36 -0.76 0.00 0.00 175.35 175.49 1s4e n LYS 44 N 2.36 0.00 -3.97 1.68 -0.00 -1.26 -4.46 118.16 112.51 1s4e n LYS 44 Ca -0.09 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.88 1s4e n LYS 44 Cb 0.51 -0.44 -0.14 0.00 -0.00 0.00 0.00 35.03 34.95 1s4e n LYS 44 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1s4e s VAL 45 N -3.89 3.13 -0.18 0.58 1.01 -0.85 -1.03 120.40 119.17 1s4e s VAL 45 Ca 0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 1s4e s VAL 45 Cb 0.00 -2.41 0.07 0.00 0.00 0.00 0.00 36.38 34.05 1s4e s VAL 45 CO 0.00 0.45 0.16 -1.10 0.00 0.00 0.00 175.10 174.61 1s4e s GLN 46 N 1.41 0.12 -0.06 2.72 1.11 -0.44 -2.42 119.66 122.10 1s4e s GLN 46 Ca 0.05 0.12 0.00 0.00 0.01 0.00 0.00 55.36 55.54 1s4e s GLN 46 Cb -0.14 -1.38 0.02 0.00 -1.01 0.00 0.00 33.01 30.50 1s4e s GLN 46 CO -0.05 -0.63 -0.03 -0.51 0.01 0.00 0.00 175.29 174.08 1s4e s LEU 47 N 2.24 1.09 0.01 2.90 1.43 -1.14 -1.84 118.68 123.37 1s4e s LEU 47 Ca 0.05 -0.13 -0.09 0.00 -1.03 0.00 0.00 54.13 52.93 1s4e s LEU 47 Cb -0.15 -0.48 -0.05 0.00 0.03 0.00 0.00 46.19 45.53 1s4e s LEU 47 CO -0.10 -0.10 0.31 -0.47 0.23 0.00 0.00 176.35 176.21 1s4e s TYR 48 N 1.30 3.61 -0.20 0.29 6.14 -0.72 -3.18 117.35 124.58 1s4e s TYR 48 Ca -0.05 0.68 0.00 0.00 0.64 0.00 0.00 57.07 58.35 1s4e s TYR 48 Cb -0.14 -2.07 0.05 0.00 0.42 0.00 0.00 41.96 40.22 1s4e s TYR 48 CO -0.02 0.61 -0.07 0.45 0.64 0.00 0.00 175.55 177.16 1s4e s SER 49 N -1.54 3.41 0.46 4.32 0.15 -1.26 0.01 113.70 119.25 1s4e s SER 49 Ca 0.27 -0.93 0.13 0.00 0.70 0.00 0.00 55.95 56.11 1s4e s SER 49 Cb -0.14 -1.13 1.06 0.00 -1.71 0.00 0.00 66.02 64.11 1s4e s SER 49 CO 0.15 -0.19 2.07 1.05 1.20 0.00 0.00 173.24 177.52 1s4e h GLU 50 N 8.01 0.17 0.15 5.44 4.11 -1.87 0.12 114.58 130.71 1s4e h GLU 50 Ca -0.23 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.18 1s4e h GLU 50 Cb 1.09 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1s4e h GLU 50 CO 0.43 0.17 -0.13 1.25 0.07 0.00 0.00 179.01 180.80 1s4e h HIS 51 N 0.17 -0.33 0.00 2.06 6.17 -1.96 -3.34 115.15 117.92 1s4e h HIS 51 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.12 1s4e h HIS 51 Cb 0.08 0.13 0.00 0.00 2.52 0.00 0.00 27.41 30.14 1s4e h HIS 51 CO 0.00 -0.20 -1.72 1.19 0.71 0.00 0.00 177.93 177.91 1s4e n PHE 52 N -5.25 0.00 -2.22 5.26 3.01 -1.02 -5.24 117.46 112.00 1s4e n PHE 52 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1s4e n PHE 52 Cb 0.17 -0.37 0.00 0.00 -0.01 0.00 0.00 39.48 39.27 1s4e n PHE 52 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1s4e n ASN 53 N -2.05 -7.74 -3.84 4.37 5.03 0.40 -5.05 115.26 106.39 1s4e n ASN 53 Ca -0.02 1.62 -0.29 0.00 0.87 0.00 0.00 54.58 56.76 1s4e n ASN 53 Cb 0.48 -4.55 -0.16 0.00 -1.02 0.00 0.00 39.78 34.53 1s4e n ASN 53 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1s4e s GLU 55 N -0.48 1.15 0.19 3.52 2.02 -1.26 -4.50 118.70 119.35 1s4e s GLU 55 Ca 0.00 -0.69 0.09 0.00 0.02 0.00 0.00 54.97 54.39 1s4e s GLU 55 Cb 0.00 -2.32 -0.04 0.00 0.10 0.00 0.00 34.13 31.87 1s4e s GLU 55 CO 0.00 -0.61 -0.08 0.15 0.02 0.00 0.00 175.26 174.74 1s4e s LYS 56 N 1.63 2.10 0.14 1.61 -0.14 -1.19 -4.99 119.74 118.89 1s4e s LYS 56 Ca -0.03 -1.29 0.03 0.00 -1.36 0.00 0.00 55.97 53.32 1s4e s LYS 56 Cb -0.18 -2.16 -0.04 0.00 -1.68 0.00 0.00 37.83 33.77 1s4e s LYS 56 CO -0.07 0.43 -0.07 0.99 -0.76 0.00 0.00 175.35 175.86 1s4e s THR 57 N -1.80 0.93 -0.13 2.17 2.01 -1.26 -2.90 115.64 114.66 1s4e s THR 57 Ca 0.26 -2.00 -0.30 0.00 0.31 0.00 0.00 61.69 59.95 1s4e s THR 57 Cb -0.08 -1.84 0.13 0.00 0.01 0.00 0.00 72.50 70.71 1s4e s THR 57 CO 0.16 -0.74 1.02 0.72 -0.69 0.00 0.00 174.62 175.08 1s4e s PHE 58 N -3.48 -0.31 0.28 4.92 -0.12 -1.02 -5.03 117.98 113.22 1s4e s PHE 58 Ca 0.16 0.41 -0.18 0.00 -0.05 0.00 0.00 56.93 57.27 1s4e s PHE 58 Cb 0.04 0.48 -0.09 0.00 -0.63 0.00 0.00 43.02 42.83 1s4e s PHE 58 CO -0.01 -0.36 0.75 0.95 -0.05 0.00 0.00 175.22 176.51 1s4e s THR 59 N -1.80 4.58 -1.31 -4.49 -4.23 -1.26 -2.01 115.64 105.12 1s4e s THR 59 Ca 0.02 1.21 0.14 0.00 -1.18 0.00 0.00 61.69 61.88 1s4e s THR 59 Cb -0.01 -3.76 0.21 0.00 1.34 0.00 0.00 72.50 70.28 1s4e s THR 59 CO -0.03 0.03 1.39 0.00 -0.54 0.00 0.00 174.62 175.48 1s4e n LEU 60 N 0.25 0.00 -2.80 4.79 -0.00 -1.26 -2.20 117.00 115.77 1s4e n LEU 60 Ca 0.01 0.35 -0.33 0.00 -0.00 0.00 0.00 56.01 56.03 1s4e n LEU 60 Cb 0.52 -0.35 0.01 0.00 -0.00 0.00 0.00 43.42 43.60 1s4e n LEU 60 CO 0.42 -0.19 0.77 -0.90 -0.00 0.00 0.00 177.39 177.50 1s4e n ASP 61 N -1.35 5.92 -2.64 1.45 3.85 -1.26 -4.66 116.55 117.85 1s4e n ASP 61 Ca 0.06 -3.75 -0.05 0.00 -0.71 0.00 0.00 54.79 50.33 1s4e n ASP 61 Cb 0.12 -0.75 0.09 0.00 -1.35 0.00 0.00 41.12 39.23 1s4e n ASP 61 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 1s4e n ASN 62 N -0.43 -1.61 -4.67 -1.12 0.23 -0.94 -5.26 115.26 101.46 1s4e n ASN 62 Ca 0.44 -2.19 -0.43 0.00 -0.53 0.00 0.00 54.58 51.87 1s4e n ASN 62 Cb 0.44 0.94 -0.02 0.00 -2.08 0.00 0.00 39.78 39.06 1s4e n ASN 62 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1s4e s LEU 63 N -2.96 4.24 -0.40 -4.53 2.01 -1.26 -4.81 118.68 110.97 1s4e s LEU 63 Ca 0.15 1.86 0.04 0.00 0.01 0.00 0.00 54.13 56.19 1s4e s LEU 63 Cb 0.31 -3.55 0.29 0.00 0.01 0.00 0.00 46.19 43.26 1s4e s LEU 63 CO -0.07 -0.73 1.18 0.29 1.01 0.00 0.00 176.35 178.02 1s4e n LYS 65 N 6.12 0.52 0.00 1.70 4.76 -1.26 -5.05 118.16 124.94 1s4e n LYS 65 Ca 0.13 -1.26 0.01 0.00 -2.87 0.00 0.00 58.31 54.33 1s4e n LYS 65 Cb 0.45 -0.70 0.07 0.00 -1.84 0.00 0.00 35.03 33.01 1s4e n LYS 65 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1s4e n GLU 66 N 0.96 0.02 -2.54 1.97 4.71 -1.26 -4.85 120.64 119.64 1s4e n GLU 66 Ca 0.02 0.38 -0.07 0.00 -0.01 0.00 0.00 57.16 57.49 1s4e n GLU 66 Cb 0.70 -1.50 0.03 0.00 -1.01 0.00 0.00 31.44 29.67 1s4e n GLU 66 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1s4e n GLY 67 N -1.13 0.12 0.00 0.62 0.00 -1.26 -5.07 105.19 98.48 1s4e n GLY 67 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1s4e n GLY 67 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s4e n SER 68 N -1.86 0.00 0.09 1.61 3.41 -1.26 -5.05 113.62 110.55 1s4e n SER 68 Ca -0.11 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.48 1s4e n SER 68 Cb 0.57 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.46 1s4e n SER 68 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1s4e h TRP 69 N 0.00 0.00 -0.03 7.33 5.08 -2.04 -3.28 115.95 123.01 1s4e h TRP 69 Ca 0.00 0.00 0.01 0.00 1.08 0.00 0.00 58.89 59.98 1s4e h TRP 69 Cb 0.00 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.16 1s4e h TRP 69 CO 0.00 0.76 0.05 0.97 -1.28 0.00 0.00 178.44 178.95 1s4e h ILE 70 N 0.00 0.32 -0.72 0.12 6.09 -2.00 -2.34 117.51 118.97 1s4e h ILE 70 Ca -0.03 0.00 0.15 0.00 -1.37 0.00 0.00 64.86 63.61 1s4e h ILE 70 Cb 1.60 0.95 -0.10 0.00 0.47 0.00 0.00 36.82 39.75 1s4e h ILE 70 CO 0.10 0.00 0.22 0.44 -3.07 0.00 0.00 178.15 175.83 1s4e h ASP 71 N 0.00 0.11 -0.81 2.19 5.19 -1.98 0.52 116.42 121.65 1s4e h ASP 71 Ca 0.02 0.13 0.13 0.00 -0.62 0.00 0.00 57.03 56.68 1s4e h ASP 71 Cb 0.12 0.15 -0.09 0.00 0.18 0.00 0.00 39.33 39.70 1s4e h ASP 71 CO -0.00 0.02 0.41 1.88 -3.12 0.00 0.00 179.24 178.43 1s4e h TYR 72 N 0.33 0.73 -0.19 4.55 -1.99 -1.67 0.37 116.97 119.10 1s4e h TYR 72 Ca 0.40 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 61.11 1s4e h TYR 72 Cb 0.64 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 39.16 1s4e h TYR 72 CO -0.22 0.20 -0.09 0.28 -0.00 0.00 0.00 178.16 178.33 1s4e h VAL 73 N 0.62 1.30 0.00 -2.88 2.07 -1.29 -2.83 116.25 113.25 1s4e h VAL 73 Ca 0.43 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1s4e h VAL 73 Cb 0.56 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1s4e h VAL 73 CO -0.33 0.34 -0.00 0.11 0.02 0.00 0.00 177.57 177.70 1s4e h LYS 74 N 0.10 0.00 0.00 1.57 6.56 0.44 -2.12 116.57 123.12 1s4e h LYS 74 Ca 0.04 0.00 -0.21 0.00 -1.06 0.00 0.00 60.65 59.42 1s4e h LYS 74 Cb 0.57 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.20 1s4e h LYS 74 CO 0.03 0.00 -1.03 0.78 -2.06 0.00 0.00 179.45 177.17 1s4e h GLY 75 N 0.02 0.01 1.40 3.86 0.00 -0.22 -2.09 103.07 106.05 1s4e h GLY 75 Ca -0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 47.33 47.12 1s4e h GLY 75 CO 0.00 0.01 -0.71 -2.08 0.00 0.00 0.00 176.54 173.76 1s4e h VAL 76 N 0.00 1.33 -0.17 4.60 2.07 -1.14 -2.46 116.25 120.48 1s4e h VAL 76 Ca -0.02 -2.01 -0.16 0.00 0.82 0.00 0.00 66.70 65.33 1s4e h VAL 76 Cb 1.78 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 33.54 1s4e h VAL 76 CO 0.13 0.62 -0.55 -0.07 0.02 0.00 0.00 177.57 177.72 1s4e h LEU 77 N 0.41 0.57 -0.77 2.57 4.07 -1.48 -2.68 115.31 118.00 1s4e h LEU 77 Ca -0.03 -0.30 -0.04 0.00 0.08 0.00 0.00 57.88 57.58 1s4e h LEU 77 Cb 1.31 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.85 1s4e h LEU 77 CO 0.14 1.00 0.32 -0.25 -1.08 0.00 0.00 178.44 178.57 1s4e h TRP 78 N 0.39 1.16 0.00 1.13 7.01 -1.33 -1.49 115.95 122.82 1s4e h TRP 78 Ca 0.01 -0.08 -0.10 0.00 2.11 0.00 0.00 58.89 60.82 1s4e h TRP 78 Cb 1.09 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 27.78 1s4e h TRP 78 CO 0.04 0.88 -0.50 -0.24 -2.79 0.00 0.00 178.44 175.83 1s4e h VAL 79 N 1.11 1.13 -0.01 2.65 3.04 -1.35 -2.01 116.25 120.81 1s4e h VAL 79 Ca 0.26 -1.85 -0.02 0.00 -1.01 0.00 0.00 66.70 64.07 1s4e h VAL 79 Cb 0.20 2.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.55 1s4e h VAL 79 CO -0.02 0.49 -0.09 -0.07 -1.01 0.00 0.00 177.57 176.86 1s4e h LEU 80 N 0.00 0.09 -0.36 3.16 3.38 -1.20 -2.98 115.31 117.40 1s4e h LEU 80 Ca -0.00 -0.74 0.07 0.00 0.09 0.00 0.00 57.88 57.30 1s4e h LEU 80 Cb 1.03 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 1s4e h LEU 80 CO 0.06 0.81 -0.02 0.40 0.09 0.00 0.00 178.44 179.78 1s4e h ILE 81 N -0.62 0.71 0.00 1.22 5.03 -1.27 -2.41 117.51 120.16 1s4e h ILE 81 Ca -0.01 -0.02 -0.03 0.00 -0.12 0.00 0.00 64.86 64.68 1s4e h ILE 81 Cb 0.82 0.63 -0.00 0.00 -3.03 0.00 0.00 36.82 35.24 1s4e h ILE 81 CO 0.02 0.01 -0.12 1.56 -0.68 0.00 0.00 178.15 178.94 1s4e h GLN 82 N 0.07 0.00 0.00 2.37 7.50 -1.44 -2.20 115.11 121.41 1s4e h GLN 82 Ca 0.18 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.33 1s4e h GLN 82 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.78 1s4e h GLN 82 CO -0.31 0.12 0.00 0.93 -1.50 0.00 0.00 178.83 178.07 1s4e h GLU 83 N 0.00 0.00 0.00 1.46 4.39 -1.28 -3.47 114.58 115.68 1s4e h GLU 83 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1s4e h GLU 83 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1s4e h GLU 83 CO 0.02 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.28 1s4e n GLY 84 N 1.02 1.35 3.75 -3.84 0.00 -0.83 -5.11 105.19 101.53 1s4e n GLY 84 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1s4e n GLY 84 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s4e n TYR 85 N -0.03 -3.96 0.00 1.61 4.02 -0.98 -5.01 117.16 112.81 1s4e n TYR 85 Ca 0.00 -1.10 0.00 0.00 -0.01 0.00 0.00 57.90 56.79 1s4e n TYR 85 Cb 0.00 -1.10 0.00 0.00 -0.02 0.00 0.00 39.34 38.22 1s4e n TYR 85 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 1s4e n ILE 87 N -4.39 0.00 -1.80 -0.72 -5.35 -1.26 -4.88 119.36 100.97 1s4e n ILE 87 Ca 0.16 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.64 1s4e n ILE 87 Cb 0.59 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.49 1s4e n ILE 87 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1s4e n GLY 88 N -1.32 5.16 0.00 3.28 0.00 -1.26 -5.13 105.19 105.92 1s4e n GLY 88 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1s4e n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s4e n GLY 89 N 3.74 4.71 3.55 -0.02 0.00 -1.26 -4.99 105.19 110.91 1s4e n GLY 89 Ca 0.00 -2.09 -0.17 0.00 0.00 0.00 0.00 46.02 43.77 1s4e n GLY 89 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1s4e s LEU 90 N 0.00 -0.67 0.21 0.99 0.05 -0.19 -4.66 118.68 114.40 1s4e s LEU 90 Ca 0.00 0.90 0.10 0.00 0.05 0.00 0.00 54.13 55.17 1s4e s LEU 90 Cb 0.00 2.50 -0.04 0.00 -2.05 0.00 0.00 46.19 46.60 1s4e s LEU 90 CO 0.00 -0.51 -0.13 -0.54 -0.55 0.00 0.00 176.35 174.62 1s4e s LYS 91 N -0.79 1.92 0.00 1.48 -0.14 -1.09 -1.33 119.74 119.79 1s4e s LYS 91 Ca -0.08 -1.42 0.00 0.00 -1.36 0.00 0.00 55.97 53.12 1s4e s LYS 91 Cb -0.01 -2.04 0.00 0.00 -1.68 0.00 0.00 37.83 34.10 1s4e s LYS 91 CO 0.07 0.40 0.00 0.41 -0.76 0.00 0.00 175.35 175.48 1s4e n GLY 92 N -0.14 -0.05 3.48 -3.33 0.00 -0.77 -1.66 105.19 102.73 1s4e n GLY 92 Ca -0.10 -1.60 -0.28 0.00 0.00 0.00 0.00 46.02 44.04 1s4e n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s4e s LYS 93 N -2.00 1.73 -0.44 1.61 0.00 0.08 -1.76 119.74 118.96 1s4e s LYS 93 Ca 0.00 -1.30 0.03 0.00 0.00 0.00 0.00 55.97 54.70 1s4e s LYS 93 Cb 0.00 -2.03 0.12 0.00 0.00 0.00 0.00 37.83 35.91 1s4e s LYS 93 CO 0.00 0.45 0.17 0.42 0.00 0.00 0.00 175.35 176.39 1s4e s ILE 94 N -1.38 2.54 0.52 3.79 1.09 0.10 -1.74 121.20 126.13 1s4e s ILE 94 Ca 0.20 -2.81 0.07 0.00 -1.10 0.00 0.00 60.65 57.01 1s4e s ILE 94 Cb -0.09 -2.80 0.04 0.00 -1.06 0.00 0.00 42.46 38.54 1s4e s ILE 94 CO 0.11 -0.71 0.52 0.42 -0.10 0.00 0.00 174.94 175.18 1s4e s THR 95 N 0.32 2.04 0.00 2.92 -4.23 -0.55 -2.59 115.64 113.54 1s4e s THR 95 Ca 0.14 -1.30 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 1s4e s THR 95 Cb -0.22 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.28 1s4e s THR 95 CO -0.04 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 1s4e n GLY 96 N -1.87 2.56 0.21 3.99 0.00 -1.26 -0.96 105.19 107.85 1s4e n GLY 96 Ca 0.05 -1.17 -0.18 0.00 0.00 0.00 0.00 46.02 44.72 1s4e n GLY 96 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1s4e h ASP 97 N 0.00 0.89 -1.76 1.61 3.32 -1.71 -3.48 116.42 115.30 1s4e h ASP 97 Ca 0.00 -0.64 -0.64 0.00 0.02 0.00 0.00 57.03 55.77 1s4e h ASP 97 Cb 0.00 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 39.29 1s4e h ASP 97 CO 0.00 1.44 1.20 0.18 -1.72 0.00 0.00 179.24 180.34 1s4e n LEU 98 N -3.89 3.03 -4.76 1.55 4.32 -0.92 -4.79 117.00 111.54 1s4e n LEU 98 Ca -0.09 0.76 -0.39 0.00 -0.02 0.00 0.00 56.01 56.28 1s4e n LEU 98 Cb 0.80 -1.35 -0.04 0.00 -1.62 0.00 0.00 43.42 41.22 1s4e n LEU 98 CO 0.54 -0.31 0.80 -2.84 -1.22 0.00 0.00 177.39 174.36 1s4e s PRO 99 N 4.80 4.45 -0.23 3.23 0.02 -1.26 -4.97 135.00 141.04 1s4e s PRO 99 Ca 0.98 1.78 -0.07 0.00 0.02 0.00 0.00 61.00 63.71 1s4e s PRO 99 Cb -0.73 -2.99 -0.03 0.00 0.02 0.00 0.00 34.50 30.77 1s4e s PRO 99 CO 0.51 0.05 0.06 -0.51 -0.33 0.00 0.00 177.00 176.78 1s4e s LEU 100 N -1.83 3.50 0.00 -5.54 1.02 -1.26 -4.42 118.68 110.14 1s4e s LEU 100 Ca 0.49 -0.15 0.00 0.00 0.02 0.00 0.00 54.13 54.49 1s4e s LEU 100 Cb -0.30 -1.92 0.00 0.00 0.02 0.00 0.00 46.19 43.98 1s4e s LEU 100 CO 0.39 0.02 0.00 0.61 0.02 0.00 0.00 176.35 177.39 1s4e n GLY 101 N 4.59 0.72 0.00 -3.19 0.00 -1.26 -5.08 105.19 100.97 1s4e n GLY 101 Ca -0.16 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1s4e n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s4e n ALA 102 N -0.56 0.00 -0.16 4.61 0.00 -1.26 -4.69 120.51 118.45 1s4e n ALA 102 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1s4e n ALA 102 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1s4e n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4e n GLY 103 N 5.00 3.10 1.11 0.00 0.00 -1.26 -4.39 105.19 108.76 1s4e n GLY 103 Ca 0.00 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.64 1s4e n GLY 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s4e n LEU 104 N 0.34 3.34 -3.97 0.99 4.77 -1.26 -4.68 117.00 116.53 1s4e n LEU 104 Ca 0.19 -1.42 -0.36 0.00 -0.03 0.00 0.00 56.01 54.39 1s4e n LEU 104 Cb 0.72 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1s4e n LEU 104 CO 0.21 0.71 -0.20 -0.24 -1.33 0.00 0.00 177.39 176.55 1s4e n SER 105 N 1.42 -3.07 -0.22 -1.43 2.88 -1.26 -2.26 113.62 109.68 1s4e n SER 105 Ca 0.19 -1.16 0.29 0.00 -1.33 0.00 0.00 58.87 56.86 1s4e n SER 105 Cb 0.59 -2.42 0.71 0.00 -0.75 0.00 0.00 64.21 62.34 1s4e n SER 105 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1s4e h SER 106 N -2.16 0.04 0.31 -3.46 4.64 -1.89 -2.26 113.55 108.77 1s4e h SER 106 Ca -0.68 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 60.63 1s4e h SER 106 Cb 1.39 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1s4e h SER 106 CO 0.55 0.01 -0.15 0.77 -0.87 0.00 0.00 176.83 177.14 1s4e h SER 107 N 0.04 -0.35 -0.22 4.97 4.64 -1.95 0.37 113.55 121.04 1s4e h SER 107 Ca 0.47 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.69 1s4e h SER 107 Cb 1.81 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.98 1s4e h SER 107 CO -0.03 -0.19 -0.07 0.00 -0.87 0.00 0.00 176.83 175.68 1s4e h ALA 108 N 0.17 0.31 -0.89 5.18 0.00 -1.89 -0.28 119.26 121.86 1s4e h ALA 108 Ca -0.04 -0.27 0.16 0.00 0.00 0.00 0.00 54.91 54.76 1s4e h ALA 108 Cb 0.37 -0.08 -0.16 0.00 0.00 0.00 0.00 17.79 17.93 1s4e h ALA 108 CO 0.07 0.11 -0.30 1.03 0.00 0.00 0.00 179.25 180.16 1s4e h SER 109 N 0.16 -1.10 -0.01 0.00 0.87 -1.36 -1.84 113.55 110.27 1s4e h SER 109 Ca 0.05 0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.88 1s4e h SER 109 Cb 0.54 0.63 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1s4e h SER 109 CO 0.03 -0.30 -0.04 0.15 -0.53 0.00 0.00 176.83 176.14 1s4e h PHE 110 N -0.03 0.06 0.29 2.24 -0.00 -0.66 -1.52 116.94 117.32 1s4e h PHE 110 Ca 0.37 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.97 58.31 1s4e h PHE 110 Cb 0.62 -0.01 -0.01 0.00 -0.00 0.00 0.00 35.95 36.55 1s4e h PHE 110 CO -0.75 0.69 -0.21 0.93 -0.00 0.00 0.00 178.31 178.97 1s4e h GLU 111 N -0.59 -0.48 0.00 1.11 5.08 -0.80 0.14 114.58 119.04 1s4e h GLU 111 Ca -0.00 0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 1s4e h GLU 111 Cb 0.69 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1s4e h GLU 111 CO 0.01 -0.32 -0.40 -0.39 -1.00 0.00 0.00 179.01 176.91 1s4e h VAL 112 N -0.49 0.93 -0.32 3.13 -1.51 -1.48 -0.84 116.25 115.67 1s4e h VAL 112 Ca -0.02 -1.58 0.07 0.00 -1.23 0.00 0.00 66.70 63.94 1s4e h VAL 112 Cb 0.43 1.95 -0.08 0.00 -2.13 0.00 0.00 31.29 31.46 1s4e h VAL 112 CO 0.00 0.39 -0.35 1.23 -1.23 0.00 0.00 177.57 177.62 1s4e h GLY 113 N 2.06 -0.37 1.51 5.19 0.00 -0.31 0.17 103.07 111.32 1s4e h GLY 113 Ca -0.00 0.44 -0.17 0.00 0.00 0.00 0.00 47.33 47.59 1s4e h GLY 113 CO 0.05 -0.21 -0.64 -2.22 0.00 0.00 0.00 176.54 173.52 1s4e h ILE 114 N -0.31 1.34 -0.56 2.60 2.04 -0.63 -2.67 117.51 119.32 1s4e h ILE 114 Ca 0.14 -1.95 -0.02 0.00 1.00 0.00 0.00 64.86 64.03 1s4e h ILE 114 Cb 0.55 1.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.54 1s4e h ILE 114 CO -0.49 0.60 0.28 0.25 0.00 0.00 0.00 178.15 178.79 1s4e h LEU 115 N 0.36 0.73 -0.75 1.44 6.46 -0.75 -2.35 115.31 120.46 1s4e h LEU 115 Ca -0.01 -0.12 -0.11 0.00 -0.12 0.00 0.00 57.88 57.52 1s4e h LEU 115 Cb 1.20 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.93 1s4e h LEU 115 CO 0.12 0.64 -0.19 -0.08 -0.62 0.00 0.00 178.44 178.31 1s4e h GLU 116 N 0.76 0.75 -0.35 1.25 4.57 -0.56 -0.72 114.58 120.28 1s4e h GLU 116 Ca 0.20 -0.28 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1s4e h GLU 116 Cb 0.10 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 1s4e h GLU 116 CO -0.03 0.89 0.20 0.28 -1.18 0.00 0.00 179.01 179.17 1s4e h VAL 117 N 0.67 1.14 0.00 0.32 2.07 -1.24 -2.05 116.25 117.15 1s4e h VAL 117 Ca 0.10 -0.35 -0.10 0.00 0.82 0.00 0.00 66.70 67.17 1s4e h VAL 117 Cb 0.68 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1s4e h VAL 117 CO 0.05 0.14 -0.45 -0.07 0.02 0.00 0.00 177.57 177.26 1s4e h LEU 118 N 0.45 0.00 -0.56 2.57 3.38 -1.28 -1.92 115.31 117.96 1s4e h LEU 118 Ca 0.13 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1s4e h LEU 118 Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1s4e h LEU 118 CO -0.02 0.45 0.13 -1.13 0.09 0.00 0.00 178.44 177.96 1s4e h ASN 119 N 0.00 0.85 0.62 -0.43 -1.24 -0.76 -2.04 115.58 112.57 1s4e h ASN 119 Ca -0.00 -0.24 -0.26 0.00 0.71 0.00 0.00 56.30 56.51 1s4e h ASN 119 Cb 1.04 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.87 1s4e h ASN 119 CO 0.06 0.86 -1.15 1.56 -1.29 0.00 0.00 177.43 177.47 1s4e h GLN 120 N 0.79 0.26 0.00 6.67 4.20 -1.24 -1.32 115.11 124.48 1s4e h GLN 120 Ca 0.17 -0.40 -0.12 0.00 0.06 0.00 0.00 58.65 58.36 1s4e h GLN 120 Cb 0.35 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 1s4e h GLN 120 CO 0.00 1.16 -0.58 -0.07 -0.67 0.00 0.00 178.83 178.68 1s4e h LEU 121 N 0.09 0.00 -2.81 1.46 4.07 -1.34 -3.26 115.31 113.52 1s4e h LEU 121 Ca -0.11 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.85 1s4e h LEU 121 Cb 1.86 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.60 1s4e h LEU 121 CO 0.19 0.58 0.00 -1.22 -1.08 0.00 0.00 178.44 176.91 1s4e n TYR 122 N -3.29 0.24 -2.31 1.13 4.02 -0.77 -5.01 117.16 111.17 1s4e n TYR 122 Ca 0.01 -0.46 -0.20 0.00 -0.01 0.00 0.00 57.90 57.24 1s4e n TYR 122 Cb 0.75 -0.03 -0.02 0.00 -0.02 0.00 0.00 39.34 40.02 1s4e n TYR 122 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1s4e n ASN 123 N 0.09 -5.74 -0.08 7.72 3.02 -0.81 -4.90 115.26 114.55 1s4e n ASN 123 Ca 0.06 0.03 0.07 0.00 -0.03 0.00 0.00 54.58 54.71 1s4e n ASN 123 Cb 0.33 -4.79 0.43 0.00 -0.61 0.00 0.00 39.78 35.15 1s4e n ASN 123 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1s4e h LEU 124 N 0.00 0.50 -2.45 3.41 3.38 -1.52 -3.47 115.31 115.15 1s4e h LEU 124 Ca -0.48 -0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.20 1s4e h LEU 124 Cb 1.35 -0.11 0.17 0.00 0.09 0.00 0.00 40.66 42.17 1s4e h LEU 124 CO 0.57 0.33 -0.86 0.59 0.09 0.00 0.00 178.44 179.16 1s4e n ASN 125 N -4.47 -5.75 -4.76 -0.43 3.02 -1.26 -4.97 115.26 96.63 1s4e n ASN 125 Ca 0.08 -0.75 -0.40 0.00 -0.03 0.00 0.00 54.58 53.48 1s4e n ASN 125 Cb 0.21 -4.89 -0.05 0.00 -0.61 0.00 0.00 39.78 34.44 1s4e n ASN 125 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1s4e s ILE 126 N -3.41 4.65 0.24 2.41 1.01 -1.26 -5.02 121.20 119.81 1s4e s ILE 126 Ca 0.40 1.59 -0.30 0.00 0.00 0.00 0.00 60.65 62.34 1s4e s ILE 126 Cb -0.07 -4.09 -0.09 0.00 0.01 0.00 0.00 42.46 38.22 1s4e s ILE 126 CO 0.76 0.42 1.35 -0.62 0.00 0.00 0.00 174.94 176.85 1s4e s ASP 127 N -0.43 6.80 0.27 3.58 2.15 -1.26 -4.76 116.67 123.02 1s4e s ASP 127 Ca 0.37 2.53 0.01 0.00 0.43 0.00 0.00 52.55 55.88 1s4e s ASP 127 Cb -0.21 -2.62 0.56 0.00 -0.30 0.00 0.00 42.92 40.35 1s4e s ASP 127 CO 0.23 -0.58 1.79 -0.65 -0.17 0.00 0.00 175.17 175.79 1s4e h PRO 128 N 4.94 0.74 -0.80 4.34 0.11 -1.99 0.43 132.00 139.77 1s4e h PRO 128 Ca -0.46 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1s4e h PRO 128 Cb 1.22 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 1s4e h PRO 128 CO 0.75 0.49 0.44 1.25 -0.21 0.00 0.00 178.00 180.72 1s4e h LEU 129 N 0.76 1.00 -1.10 2.35 5.85 -1.99 -2.29 115.31 119.90 1s4e h LEU 129 Ca 0.49 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 59.02 1s4e h LEU 129 Cb 0.63 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1s4e h LEU 129 CO -0.33 0.81 -0.44 0.50 -0.34 0.00 0.00 178.44 178.65 1s4e h LYS 130 N 1.11 0.00 -0.78 1.25 1.63 -0.98 -2.43 116.57 116.38 1s4e h LYS 130 Ca 0.28 0.00 0.11 0.00 -0.85 0.00 0.00 60.65 60.19 1s4e h LYS 130 Cb 0.03 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 31.59 1s4e h LYS 130 CO -0.05 0.44 0.41 0.87 -3.45 0.00 0.00 179.45 177.67 1s4e h LYS 131 N 0.00 0.64 0.01 1.90 1.57 0.26 -1.42 116.57 119.52 1s4e h LYS 131 Ca -0.00 -0.04 -0.25 0.00 -1.87 0.00 0.00 60.65 58.48 1s4e h LYS 131 Cb 0.81 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.99 1s4e h LYS 131 CO 0.06 0.43 -1.02 0.00 -0.57 0.00 0.00 179.45 178.34 1s4e h ALA 132 N 1.47 0.21 -0.33 3.86 0.00 -1.20 -2.05 119.26 121.22 1s4e h ALA 132 Ca 0.39 -0.71 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 1s4e h ALA 132 Cb 0.44 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1s4e h ALA 132 CO -0.29 0.74 -0.28 -0.07 0.00 0.00 0.00 179.25 179.35 1s4e h LEU 133 N 0.33 0.69 -0.36 0.00 3.38 -1.33 -1.99 115.31 116.03 1s4e h LEU 133 Ca -0.11 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.52 1s4e h LEU 133 Cb 1.67 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 1s4e h LEU 133 CO 0.19 0.93 -0.06 -0.07 0.09 0.00 0.00 178.44 179.52 1s4e h LEU 134 N 0.58 0.68 -1.20 1.67 3.38 -1.19 -0.61 115.31 118.61 1s4e h LEU 134 Ca 0.07 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 1s4e h LEU 134 Cb 0.77 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1s4e h LEU 134 CO 0.06 0.87 -0.16 0.00 0.09 0.00 0.00 178.44 179.30 1s4e h ALA 135 N 0.83 1.33 -0.45 1.53 0.00 -1.27 -0.44 119.26 120.79 1s4e h ALA 135 Ca 0.09 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 1s4e h ALA 135 Cb 0.56 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1s4e h ALA 135 CO 0.03 0.45 -0.26 -0.22 0.00 0.00 0.00 179.25 179.25 1s4e h LYS 136 N 0.34 0.97 -0.30 0.00 3.64 -1.20 -2.60 116.57 117.42 1s4e h LYS 136 Ca 0.06 -0.44 -0.07 0.00 -1.27 0.00 0.00 60.65 58.94 1s4e h LYS 136 Cb 0.48 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1s4e h LYS 136 CO 0.03 1.11 -0.08 -0.22 -2.27 0.00 0.00 179.45 178.01 1s4e h LYS 137 N 0.82 0.58 -0.35 1.90 3.64 -0.63 -1.20 116.57 121.33 1s4e h LYS 137 Ca 0.10 -0.23 0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1s4e h LYS 137 Cb 0.84 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.59 1s4e h LYS 137 CO 0.07 0.78 0.07 0.00 -2.27 0.00 0.00 179.45 178.11 1s4e h ALA 138 N 0.78 0.38 -0.04 5.00 0.00 -1.10 -0.96 119.26 123.32 1s4e h ALA 138 Ca 0.07 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1s4e h ALA 138 Cb 0.57 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1s4e h ALA 138 CO 0.03 -0.33 -0.37 1.05 0.00 0.00 0.00 179.25 179.63 1s4e h GLU 139 N 0.20 0.08 0.07 0.00 4.11 -1.34 -1.93 114.58 115.76 1s4e h GLU 139 Ca 0.17 -0.03 -0.10 0.00 0.07 0.00 0.00 59.36 59.46 1s4e h GLU 139 Cb 0.18 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.44 1s4e h GLU 139 CO -0.21 0.44 -0.45 -0.91 0.07 0.00 0.00 179.01 177.95 1s4e h ASN 140 N 0.07 0.27 0.00 3.06 -0.26 -0.78 -2.15 115.58 115.78 1s4e h ASN 140 Ca 0.01 -0.95 -0.37 0.00 -0.56 0.00 0.00 56.30 54.43 1s4e h ASN 140 Cb 0.70 -0.09 -0.07 0.00 -1.06 0.00 0.00 38.32 37.80 1s4e h ASN 140 CO 0.05 1.20 -2.38 -0.62 -1.06 0.00 0.00 177.43 174.62 1s4e n GLU 141 N -4.35 0.73 0.00 0.81 1.02 -0.40 -3.88 120.64 114.58 1s4e n GLU 141 Ca -0.12 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1s4e n GLU 141 Cb 0.66 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 1s4e n GLU 141 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1s4e n PHE 142 N -2.83 0.00 -2.27 -0.32 7.35 -0.74 -4.76 117.46 113.88 1s4e n PHE 142 Ca -0.35 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 55.93 1s4e n PHE 142 Cb 1.12 -0.21 -0.03 0.00 0.35 0.00 0.00 39.48 40.70 1s4e n PHE 142 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1s4e s VAL 143 N -0.77 3.33 -1.18 -2.13 1.01 -1.14 -4.95 120.40 114.56 1s4e s VAL 143 Ca 0.00 1.10 -0.06 0.00 0.00 0.00 0.00 61.98 63.03 1s4e s VAL 143 Cb 0.00 -3.70 0.08 0.00 0.00 0.00 0.00 36.38 32.76 1s4e s VAL 143 CO 0.00 0.17 2.52 0.61 0.00 0.00 0.00 175.10 178.40 1s4e n GLY 144 N 2.28 4.96 3.28 4.51 0.00 -1.26 -3.63 105.19 115.33 1s4e n GLY 144 Ca 0.05 -1.96 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 1s4e n GLY 144 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s4e s VAL 145 N -1.00 3.77 0.07 1.61 1.01 -0.81 -5.02 120.40 120.02 1s4e s VAL 145 Ca 0.56 -1.05 -0.31 0.00 0.00 0.00 0.00 61.98 61.19 1s4e s VAL 145 Cb 0.22 -3.09 -0.06 0.00 0.00 0.00 0.00 36.38 33.45 1s4e s VAL 145 CO -0.11 -0.11 1.18 -2.16 0.00 0.00 0.00 175.10 173.90 1s4e s PRO 146 N 1.42 4.45 -0.19 2.72 0.04 -1.26 -3.93 135.00 138.23 1s4e s PRO 146 Ca -0.01 1.75 -0.30 0.00 0.04 0.00 0.00 61.00 62.48 1s4e s PRO 146 Cb -0.19 -3.35 0.15 0.00 0.04 0.00 0.00 34.50 31.15 1s4e s PRO 146 CO 0.02 -0.23 1.10 0.00 0.04 0.00 0.00 177.00 177.94 1s4e n GLY 148 N 0.64 -0.85 0.08 0.00 0.00 -1.26 -4.98 105.19 98.82 1s4e n GLY 148 Ca -0.07 -1.64 0.11 0.00 0.00 0.00 0.00 46.02 44.43 1s4e n GLY 148 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1s4e n ILE 149 N -0.44 0.44 -0.32 -0.61 0.13 -1.26 -4.64 119.36 112.67 1s4e n ILE 149 Ca 0.00 -0.49 -0.05 0.00 -1.10 0.00 0.00 62.75 61.11 1s4e n ILE 149 Cb 0.00 -0.21 -0.02 0.00 -0.84 0.00 0.00 39.64 38.57 1s4e n ILE 149 CO 0.00 0.00 0.00 -0.11 2.80 0.00 0.00 176.55 179.24 1s4e n LEU 150 N -2.49 -0.67 0.10 9.51 0.00 -1.26 -1.03 117.00 121.16 1s4e n LEU 150 Ca -0.00 1.39 -0.12 0.00 0.00 0.00 0.00 56.01 57.27 1s4e n LEU 150 Cb 0.54 -0.25 -0.08 0.00 0.00 0.00 0.00 43.42 43.62 1s4e n LEU 150 CO 0.41 -1.19 0.53 0.44 0.00 0.00 0.00 177.39 177.58 1s4e h ASP 151 N 0.00 -0.24 -0.96 1.96 3.32 -2.00 -2.07 116.42 116.43 1s4e h ASP 151 Ca 0.20 -0.27 0.01 0.00 0.02 0.00 0.00 57.03 56.99 1s4e h ASP 151 Cb 0.40 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.96 1s4e h ASP 151 CO -0.76 0.19 0.64 1.56 -1.72 0.00 0.00 179.24 179.15 1s4e h GLN 152 N -0.72 1.26 0.12 3.56 7.50 -1.79 -1.77 115.11 123.28 1s4e h GLN 152 Ca -0.03 -0.08 -0.01 0.00 0.50 0.00 0.00 58.65 59.04 1s4e h GLN 152 Cb 0.49 -0.29 0.00 0.00 0.05 0.00 0.00 27.48 27.74 1s4e h GLN 152 CO 0.05 0.84 -0.06 0.35 -1.50 0.00 0.00 178.83 178.51 1s4e h PHE 153 N 1.30 -0.15 -0.88 2.96 3.57 -1.03 -2.42 116.94 120.29 1s4e h PHE 153 Ca 0.35 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.92 1s4e h PHE 153 Cb -0.15 0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.57 1s4e h PHE 153 CO -0.00 0.03 0.54 0.00 -2.23 0.00 0.00 178.31 176.65 1s4e h ALA 154 N 0.56 1.24 -0.34 2.41 0.00 -1.05 -0.70 119.26 121.38 1s4e h ALA 154 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1s4e h ALA 154 Cb 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1s4e h ALA 154 CO 0.03 0.26 -0.15 0.28 0.00 0.00 0.00 179.25 179.66 1s4e h VAL 155 N 0.96 1.25 0.17 0.00 2.07 -1.08 -0.66 116.25 118.96 1s4e h VAL 155 Ca 0.40 -1.15 -0.32 0.00 0.82 0.00 0.00 66.70 66.45 1s4e h VAL 155 Cb 0.24 1.16 0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1s4e h VAL 155 CO -0.20 0.38 -1.55 0.58 0.02 0.00 0.00 177.57 176.81 1s4e h VAL 156 N 0.55 1.16 -0.23 2.57 2.07 -1.07 -2.42 116.25 118.88 1s4e h VAL 156 Ca 0.09 -2.73 0.00 0.00 0.82 0.00 0.00 66.70 64.88 1s4e h VAL 156 Cb 0.58 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 1s4e h VAL 156 CO 0.04 0.84 0.00 0.49 0.02 0.00 0.00 177.57 178.95 1s4e n PHE 157 N -3.55 0.30 -1.63 1.57 3.01 -0.30 -4.22 117.46 112.63 1s4e n PHE 157 Ca -0.18 -0.23 -0.43 0.00 1.01 0.00 0.00 57.45 57.62 1s4e n PHE 157 Cb 1.06 -0.01 -0.00 0.00 -0.01 0.00 0.00 39.48 40.52 1s4e n PHE 157 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s4e n GLY 158 N 0.88 0.02 3.21 1.37 0.00 -0.26 -4.74 105.19 105.67 1s4e n GLY 158 Ca 0.12 0.25 -0.23 0.00 0.00 0.00 0.00 46.02 46.16 1s4e n GLY 158 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s4e s LYS 159 N -1.83 1.17 0.00 1.61 2.20 -0.80 -0.59 119.74 121.50 1s4e s LYS 159 Ca 0.59 -0.90 0.00 0.00 -0.36 0.00 0.00 55.97 55.30 1s4e s LYS 159 Cb -0.61 -1.26 0.00 0.00 -1.51 0.00 0.00 37.83 34.45 1s4e s LYS 159 CO 0.59 0.31 0.45 0.36 -0.36 0.00 0.00 175.35 176.71 1s4e n LYS 160 N 1.74 0.00 -2.34 4.03 -0.00 -1.25 -2.77 118.16 117.57 1s4e n LYS 160 Ca -0.18 0.45 -0.37 0.00 -0.00 0.00 0.00 58.31 58.21 1s4e n LYS 160 Cb 0.54 -0.93 0.02 0.00 -0.00 0.00 0.00 35.03 34.66 1s4e n LYS 160 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1s4e n ASP 161 N -0.91 6.79 -3.78 -5.58 3.85 -1.26 -1.59 116.55 114.07 1s4e n ASP 161 Ca 0.00 -3.76 -0.13 0.00 -0.71 0.00 0.00 54.79 50.19 1s4e n ASP 161 Cb 0.00 -0.97 -0.10 0.00 -1.35 0.00 0.00 41.12 38.71 1s4e n ASP 161 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.20 176.39 1s4e s ASN 162 N -1.75 -0.22 0.31 -1.12 0.01 -1.11 -1.69 114.94 109.37 1s4e s ASN 162 Ca 0.47 0.25 0.07 0.00 -0.71 0.00 0.00 52.86 52.94 1s4e s ASN 162 Cb 0.34 0.42 -0.02 0.00 0.41 0.00 0.00 41.25 42.39 1s4e s ASN 162 CO -0.26 -0.31 0.33 0.68 -1.51 0.00 0.00 177.10 176.02 1s4e s VAL 163 N -0.77 4.05 -0.33 1.60 -7.23 -0.15 -4.47 120.40 113.10 1s4e s VAL 163 Ca -0.09 -1.24 -0.03 0.00 -1.81 0.00 0.00 61.98 58.82 1s4e s VAL 163 Cb -0.04 -3.36 0.06 0.00 0.56 0.00 0.00 36.38 33.59 1s4e s VAL 163 CO 0.02 -0.22 0.06 -0.63 -0.31 0.00 0.00 175.10 174.03 1s4e s ILE 164 N -2.20 3.21 -0.40 -0.62 1.01 0.02 -1.29 121.20 120.93 1s4e s ILE 164 Ca 0.40 -1.48 -0.29 0.00 0.00 0.00 0.00 60.65 59.28 1s4e s ILE 164 Cb -0.08 -2.92 0.02 0.00 0.01 0.00 0.00 42.46 39.50 1s4e s ILE 164 CO 0.28 -0.24 1.08 0.12 0.00 0.00 0.00 174.94 176.17 1s4e s PHE 165 N 1.26 2.98 -0.15 3.97 5.36 -0.69 -3.12 117.98 127.60 1s4e s PHE 165 Ca -0.02 0.91 0.02 0.00 -0.96 0.00 0.00 56.93 56.88 1s4e s PHE 165 Cb -0.20 -4.03 0.01 0.00 -0.34 0.00 0.00 43.02 38.46 1s4e s PHE 165 CO -0.01 -1.01 -0.21 -1.17 -1.46 0.00 0.00 175.22 171.36 1s4e s LEU 166 N 4.00 2.08 -0.41 6.12 0.20 -0.51 -2.21 118.68 127.94 1s4e s LEU 166 Ca 0.45 -0.60 -0.27 0.00 0.69 0.00 0.00 54.13 54.41 1s4e s LEU 166 Cb -0.10 -1.42 0.02 0.00 -0.43 0.00 0.00 46.19 44.26 1s4e s LEU 166 CO 0.23 0.06 0.98 -0.62 -0.29 0.00 0.00 176.35 176.71 1s4e s ASP 167 N 0.94 6.64 0.09 3.68 -1.08 -0.70 -1.39 116.67 124.85 1s4e s ASP 167 Ca -0.04 0.48 0.27 0.00 -0.52 0.00 0.00 52.55 52.74 1s4e s ASP 167 Cb -0.15 -2.48 1.05 0.00 -1.46 0.00 0.00 42.92 39.87 1s4e s ASP 167 CO -0.04 -0.98 1.85 0.35 0.52 0.00 0.00 175.17 176.86 1s4e n THR 168 N 6.24 0.29 0.07 1.71 -2.24 -0.84 -0.21 114.28 119.30 1s4e n THR 168 Ca 0.08 -0.09 -0.21 0.00 -2.27 0.00 0.00 64.05 61.56 1s4e n THR 168 Cb 0.48 -0.57 -0.15 0.00 -2.10 0.00 0.00 70.33 67.99 1s4e n THR 168 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1s4e h GLN 169 N 0.00 0.35 0.00 -0.78 4.15 -1.79 -3.37 115.11 113.67 1s4e h GLN 169 Ca 0.00 -0.59 0.00 0.00 0.77 0.00 0.00 58.65 58.83 1s4e h GLN 169 Cb 0.58 0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.49 1s4e h GLN 169 CO 0.00 1.28 -1.00 0.25 -1.93 0.00 0.00 178.83 177.43 1s4e n THR 170 N -4.03 0.00 -1.70 2.39 -2.24 -1.15 -4.96 114.28 102.59 1s4e n THR 170 Ca -0.15 -0.03 -0.16 0.00 -2.27 0.00 0.00 64.05 61.44 1s4e n THR 170 Cb 0.89 0.97 -0.05 0.00 -2.10 0.00 0.00 70.33 70.03 1s4e n THR 170 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1s4e n LEU 171 N -1.51 -1.26 -4.71 3.22 4.77 0.71 -4.97 117.00 113.25 1s4e n LEU 171 Ca 0.04 0.33 -0.42 0.00 -0.03 0.00 0.00 56.01 55.93 1s4e n LEU 171 Cb 0.33 -2.37 -0.03 0.00 -2.33 0.00 0.00 43.42 39.01 1s4e n LEU 171 CO 0.42 -0.68 0.62 -1.58 -1.33 0.00 0.00 177.39 174.85 1s4e s GLN 172 N -3.78 4.52 0.36 3.23 0.74 -1.22 -4.90 119.66 118.60 1s4e s GLN 172 Ca 0.00 1.29 0.02 0.00 0.05 0.00 0.00 55.36 56.72 1s4e s GLN 172 Cb 0.00 -3.47 -0.01 0.00 1.10 0.00 0.00 33.01 30.63 1s4e s GLN 172 CO 0.00 -0.05 0.09 2.48 -0.55 0.00 0.00 175.29 177.25 1s4e n TYR 173 N 3.99 0.36 -3.64 1.67 0.18 -1.26 -1.72 117.16 116.75 1s4e n TYR 173 Ca 0.05 -2.15 -0.04 0.00 1.88 0.00 0.00 57.90 57.64 1s4e n TYR 173 Cb 0.51 -0.08 -0.07 0.00 -0.38 0.00 0.00 39.34 39.32 1s4e n TYR 173 CO 0.00 0.00 0.00 -2.00 -2.08 0.00 0.00 176.86 172.78 1s4e s GLU 174 N -3.36 0.46 0.07 -3.48 2.12 -0.94 -5.00 118.70 108.58 1s4e s GLU 174 Ca 0.12 0.76 -0.27 0.00 0.36 0.00 0.00 54.97 55.94 1s4e s GLU 174 Cb 0.01 0.11 -0.06 0.00 0.26 0.00 0.00 34.13 34.45 1s4e s GLU 174 CO 0.09 -0.09 0.85 0.71 -0.54 0.00 0.00 175.26 176.27 1s4e s TYR 175 N 1.24 3.76 -0.18 5.30 4.12 -1.26 -1.70 117.35 128.64 1s4e s TYR 175 Ca -0.08 1.61 0.01 0.00 0.02 0.00 0.00 57.07 58.63 1s4e s TYR 175 Cb -0.04 -2.92 0.03 0.00 -1.52 0.00 0.00 41.96 37.51 1s4e s TYR 175 CO -0.15 0.24 -0.16 0.42 0.02 0.00 0.00 175.55 175.93 1s4e s ILE 176 N -0.01 1.85 0.30 2.71 1.01 -0.41 -4.97 121.20 121.67 1s4e s ILE 176 Ca 0.42 -0.91 -0.30 0.00 0.00 0.00 0.00 60.65 59.86 1s4e s ILE 176 Cb -0.22 -1.75 -0.12 0.00 0.01 0.00 0.00 42.46 40.39 1s4e s ILE 176 CO 0.26 0.41 1.58 -2.65 0.00 0.00 0.00 174.94 174.54 1s4e n PRO 177 N 4.66 2.68 -3.63 2.79 -0.02 -1.26 -0.98 135.00 139.25 1s4e n PRO 177 Ca -0.18 0.95 -0.36 0.00 -2.02 0.00 0.00 63.50 61.89 1s4e n PRO 177 Cb 0.49 -2.73 -0.07 0.00 -0.02 0.00 0.00 33.50 31.17 1s4e n PRO 177 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1s4e s PHE 178 N -0.06 3.47 0.11 6.00 5.36 -0.68 -4.84 117.98 127.33 1s4e s PHE 178 Ca 0.64 0.52 -0.36 0.00 -0.96 0.00 0.00 56.93 56.77 1s4e s PHE 178 Cb -0.50 -2.25 -0.17 0.00 -0.34 0.00 0.00 43.02 39.76 1s4e s PHE 178 CO 0.49 0.31 1.26 -0.35 -1.46 0.00 0.00 175.22 175.47 1s4e n PRO 179 N 3.36 1.05 -0.03 10.12 -0.04 -1.26 -4.82 135.00 143.38 1s4e n PRO 179 Ca -0.14 0.38 -0.12 0.00 -0.04 0.00 0.00 63.50 63.58 1s4e n PRO 179 Cb 0.52 -1.96 0.01 0.00 -0.04 0.00 0.00 33.50 32.03 1s4e n PRO 179 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1s4e h LYS 180 N 4.06 0.71 -0.43 0.54 6.56 -1.96 -2.93 116.57 123.12 1s4e h LYS 180 Ca -0.46 -0.44 0.00 0.00 -1.06 0.00 0.00 60.65 58.68 1s4e h LYS 180 Cb 1.35 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 33.06 1s4e h LYS 180 CO 0.74 1.06 0.00 -0.40 -2.06 0.00 0.00 179.45 178.80 1s4e n ASP 181 N -3.98 0.44 -4.20 0.86 3.85 -1.26 -4.77 116.55 107.49 1s4e n ASP 181 Ca -0.04 -2.00 -0.23 0.00 -0.71 0.00 0.00 54.79 51.82 1s4e n ASP 181 Cb 0.61 -0.22 -0.14 0.00 -1.35 0.00 0.00 41.12 40.03 1s4e n ASP 181 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1s4e s VAL 182 N -1.57 1.39 0.00 2.12 1.01 -1.11 -2.76 120.40 119.49 1s4e s VAL 182 Ca 0.00 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 60.88 1s4e s VAL 182 Cb 0.00 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 1s4e s VAL 182 CO 0.00 0.09 -0.04 -0.44 0.00 0.00 0.00 175.10 174.71 1s4e s SER 183 N -1.19 0.46 -0.42 3.32 0.01 0.06 -4.80 113.70 111.14 1s4e s SER 183 Ca 0.04 -0.12 -0.21 0.00 1.31 0.00 0.00 55.95 56.97 1s4e s SER 183 Cb -0.08 -0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.13 1s4e s SER 183 CO 0.02 0.01 0.65 -0.69 0.41 0.00 0.00 173.24 173.64 1s4e s VAL 184 N -0.24 4.83 -0.06 3.43 1.01 -1.24 -2.11 120.40 126.02 1s4e s VAL 184 Ca -0.00 0.23 -0.23 0.00 0.00 0.00 0.00 61.98 61.99 1s4e s VAL 184 Cb -0.02 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1s4e s VAL 184 CO -0.00 -0.54 0.67 -0.22 0.00 0.00 0.00 175.10 175.01 1s4e s LEU 185 N 2.83 4.33 -0.56 3.92 2.96 -0.44 -2.19 118.68 129.53 1s4e s LEU 185 Ca 0.23 1.17 0.04 0.00 -0.22 0.00 0.00 54.13 55.36 1s4e s LEU 185 Cb -0.14 -3.04 0.14 0.00 0.50 0.00 0.00 46.19 43.65 1s4e s LEU 185 CO 0.18 -0.07 0.33 -0.69 -1.32 0.00 0.00 176.35 174.78 1s4e s VAL 186 N 0.62 2.55 -0.22 1.68 1.01 -0.98 -1.75 120.40 123.31 1s4e s VAL 186 Ca 0.36 -3.53 -0.23 0.00 0.00 0.00 0.00 61.98 58.58 1s4e s VAL 186 Cb -0.18 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 1s4e s VAL 186 CO 0.18 -0.87 0.75 0.12 0.00 0.00 0.00 175.10 175.27 1s4e s PHE 187 N -0.57 3.34 -0.22 5.22 5.36 -0.05 -2.35 117.98 128.71 1s4e s PHE 187 Ca 0.20 1.06 -0.13 0.00 -0.96 0.00 0.00 56.93 57.09 1s4e s PHE 187 Cb -0.19 -2.95 -0.04 0.00 -0.34 0.00 0.00 43.02 39.49 1s4e s PHE 187 CO -0.05 -0.30 0.29 -0.47 -1.46 0.00 0.00 175.22 173.23 1s4e s TYR 188 N 2.42 3.35 -0.18 10.12 5.04 -0.25 -0.97 117.35 136.88 1s4e s TYR 188 Ca 0.33 0.45 0.26 0.00 -2.44 0.00 0.00 57.07 55.66 1s4e s TYR 188 Cb -0.16 -2.41 0.70 0.00 0.35 0.00 0.00 41.96 40.44 1s4e s TYR 188 CO 0.09 0.03 1.73 1.79 -1.34 0.00 0.00 175.55 177.86 1s4e h THR 189 N 5.01 0.14 0.00 4.34 1.35 -1.80 -3.10 112.91 118.85 1s4e h THR 189 Ca -0.37 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 1s4e h THR 189 Cb 1.16 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 1s4e h THR 189 CO 0.69 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 176.64 1s4e n GLY 190 N 0.68 0.42 3.05 5.82 0.00 -1.26 -4.57 105.19 109.33 1s4e n GLY 190 Ca 0.02 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 1s4e n GLY 190 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s4e s VAL 191 N -2.00 1.47 -0.19 1.61 1.01 -1.26 -4.65 120.40 116.39 1s4e s VAL 191 Ca 0.00 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1s4e s VAL 191 Cb 0.00 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 35.06 1s4e s VAL 191 CO 0.00 0.44 -0.17 -0.75 0.00 0.00 0.00 175.10 174.62 1s4e s LYS 192 N 0.98 2.69 0.11 2.72 2.47 -1.26 -1.13 119.74 126.32 1s4e s LYS 192 Ca -0.07 -0.87 -0.20 0.00 -1.56 0.00 0.00 55.97 53.27 1s4e s LYS 192 Cb -0.15 -2.53 -0.07 0.00 -1.46 0.00 0.00 37.83 33.61 1s4e s LYS 192 CO -0.01 -0.29 0.63 -0.98 0.16 0.00 0.00 175.35 174.86 1s4e s ARG 193 N 1.30 4.27 0.09 4.03 3.03 -1.20 -5.01 118.95 125.46 1s4e s ARG 193 Ca 0.02 0.82 -0.33 0.00 2.03 0.00 0.00 55.73 58.27 1s4e s ARG 193 Cb -0.14 -3.18 -0.15 0.00 -1.03 0.00 0.00 34.95 30.45 1s4e s ARG 193 CO -0.11 0.59 1.53 0.93 -1.13 0.00 0.00 175.30 177.10 1s4e h GLU 194 N 4.29 -0.75 -0.94 3.89 3.07 -2.01 -2.55 114.58 119.57 1s4e h GLU 194 Ca -0.49 0.05 0.10 0.00 -0.50 0.00 0.00 59.36 58.53 1s4e h GLU 194 Cb 1.21 0.17 -0.12 0.00 -0.84 0.00 0.00 28.75 29.16 1s4e h GLU 194 CO 0.64 -0.50 -0.50 1.28 -1.40 0.00 0.00 179.01 178.53 1s4e n LEU 195 N -5.33 -0.88 -0.03 1.33 4.32 -1.26 -3.67 117.00 111.47 1s4e n LEU 195 Ca -0.09 1.67 0.00 0.00 -0.02 0.00 0.00 56.01 57.57 1s4e n LEU 195 Cb 0.40 -0.26 0.01 0.00 -1.62 0.00 0.00 43.42 41.95 1s4e n LEU 195 CO 0.17 -1.40 0.05 0.00 -1.22 0.00 0.00 177.39 174.99 1s4e n ALA 196 N -3.35 0.00 0.09 -1.18 0.00 -0.96 -0.24 120.51 114.86 1s4e n ALA 196 Ca 0.04 0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.45 1s4e n ALA 196 Cb 0.29 -0.04 -0.06 0.00 0.00 0.00 0.00 19.45 19.64 1s4e n ALA 196 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1s4e h SER 197 N 0.00 -0.43 -0.18 0.00 0.87 -1.75 -1.32 113.55 110.72 1s4e h SER 197 Ca 0.03 0.05 -0.17 0.00 -1.23 0.00 0.00 61.79 60.47 1s4e h SER 197 Cb 0.05 0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1s4e h SER 197 CO -0.08 -0.23 -0.53 0.77 -0.53 0.00 0.00 176.83 176.23 1s4e h SER 198 N -0.31 0.85 -0.24 6.23 4.64 -0.85 -2.86 113.55 121.01 1s4e h SER 198 Ca 0.02 -0.45 0.01 0.00 -0.47 0.00 0.00 61.79 60.91 1s4e h SER 198 Cb 0.32 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1s4e h SER 198 CO -0.09 1.22 0.16 -0.33 -0.87 0.00 0.00 176.83 176.92 1s4e h GLU 199 N 0.59 0.27 -0.00 4.77 4.39 -1.42 -0.64 114.58 122.54 1s4e h GLU 199 Ca 0.02 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1s4e h GLU 199 Cb 1.11 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1s4e h GLU 199 CO 0.11 0.18 0.00 -0.92 -1.16 0.00 0.00 179.01 177.22 1s4e h TYR 200 N 0.28 0.01 -0.23 4.33 3.20 -1.13 -2.10 116.97 121.33 1s4e h TYR 200 Ca 0.10 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.99 1s4e h TYR 200 Cb 0.04 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1s4e h TYR 200 CO -0.00 0.31 0.15 0.00 -1.64 0.00 0.00 178.16 176.98 1s4e h ALA 201 N 0.70 1.98 -0.16 1.82 0.00 -1.17 -0.92 119.26 121.51 1s4e h ALA 201 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1s4e h ALA 201 Cb 0.31 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1s4e h ALA 201 CO 0.00 -0.01 -0.52 0.93 0.00 0.00 0.00 179.25 179.64 1s4e h GLU 202 N 0.19 0.44 -0.08 0.00 4.39 -1.00 0.12 114.58 118.64 1s4e h GLU 202 Ca 0.09 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.51 1s4e h GLU 202 Cb 0.14 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1s4e h GLU 202 CO -0.02 0.86 -0.01 0.00 -1.16 0.00 0.00 179.01 178.68 1s4e h ARG 203 N 0.34 0.15 -0.32 2.33 2.47 -0.51 -2.32 114.38 116.52 1s4e h ARG 203 Ca 0.01 -0.05 0.06 0.00 -1.26 0.00 0.00 59.98 58.74 1s4e h ARG 203 Cb 1.04 -0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 29.29 1s4e h ARG 203 CO 0.09 0.44 -0.04 -0.22 0.56 0.00 0.00 179.97 180.81 1s4e h LYS 204 N -0.15 0.05 -0.11 0.04 3.64 -1.21 -1.56 116.57 117.26 1s4e h LYS 204 Ca 0.02 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1s4e h LYS 204 Cb 0.38 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.14 1s4e h LYS 204 CO 0.01 0.03 -0.19 -0.09 -2.27 0.00 0.00 179.45 176.94 1s4e h ARG 205 N 0.05 -0.24 0.00 1.90 2.43 -0.73 0.11 114.38 117.90 1s4e h ARG 205 Ca 0.15 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.26 1s4e h ARG 205 Cb 0.22 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1s4e h ARG 205 CO -0.29 -0.16 -0.40 0.82 -1.51 0.00 0.00 179.97 178.43 1s4e h ILE 206 N -0.25 1.08 -0.11 1.20 2.04 -1.02 -0.64 117.51 119.81 1s4e h ILE 206 Ca 0.09 -1.46 -0.11 0.00 1.00 0.00 0.00 64.86 64.38 1s4e h ILE 206 Cb 0.38 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1s4e h ILE 206 CO -0.26 0.39 -0.36 0.00 0.00 0.00 0.00 178.15 177.92 1s4e h ALA 207 N 1.60 0.20 -0.89 1.87 0.00 -1.00 -2.07 119.26 118.97 1s4e h ALA 207 Ca -0.00 -0.44 0.14 0.00 0.00 0.00 0.00 54.91 54.61 1s4e h ALA 207 Cb 0.80 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.48 1s4e h ALA 207 CO 0.05 0.27 0.49 0.93 0.00 0.00 0.00 179.25 180.99 1s4e h GLU 208 N 0.02 0.69 -0.14 0.00 5.08 -0.42 -1.96 114.58 117.84 1s4e h GLU 208 Ca -0.01 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.16 1s4e h GLU 208 Cb 0.98 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1s4e h GLU 208 CO 0.08 0.46 -0.55 0.93 -1.00 0.00 0.00 179.01 178.93 1s4e h GLU 209 N 0.71 0.41 0.00 2.33 5.08 -1.02 -2.84 114.58 119.25 1s4e h GLU 209 Ca 0.48 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1s4e h GLU 209 Cb 0.64 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1s4e h GLU 209 CO -0.34 0.85 -0.00 0.77 -1.00 0.00 0.00 179.01 179.29 1s4e h SER 210 N 0.32 -0.00 -0.85 1.42 0.02 -0.76 -1.80 113.55 111.90 1s4e h SER 210 Ca 0.01 -0.48 0.16 0.00 -0.84 0.00 0.00 61.79 60.64 1s4e h SER 210 Cb 1.06 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.54 1s4e h SER 210 CO 0.09 0.48 0.56 -0.07 -1.14 0.00 0.00 176.83 176.75 1s4e h LEU 211 N -0.48 0.50 -0.27 5.07 3.38 -1.36 -0.64 115.31 121.51 1s4e h LEU 211 Ca -0.00 0.04 -0.21 0.00 0.09 0.00 0.00 57.88 57.80 1s4e h LEU 211 Cb 0.48 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1s4e h LEU 211 CO 0.00 0.24 -0.84 0.03 0.09 0.00 0.00 178.44 177.96 1s4e h ARG 212 N 0.52 0.44 -0.66 1.13 3.08 -1.32 -0.73 114.38 116.84 1s4e h ARG 212 Ca 0.43 -0.42 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1s4e h ARG 212 Cb 0.89 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.02 1s4e h ARG 212 CO -0.17 1.06 0.26 0.82 -1.07 0.00 0.00 179.97 180.88 1s4e h ILE 213 N 0.28 1.23 0.00 2.04 2.04 -0.70 -3.06 117.51 119.34 1s4e h ILE 213 Ca -0.06 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1s4e h ILE 213 Cb 1.45 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1s4e h ILE 213 CO 0.15 0.29 -0.26 0.18 0.00 0.00 0.00 178.15 178.50 1s4e n LEU 214 N -4.31 0.73 -2.45 1.44 4.77 -0.31 -4.94 117.00 111.94 1s4e n LEU 214 Ca 0.06 0.42 -0.16 0.00 -0.03 0.00 0.00 56.01 56.29 1s4e n LEU 214 Cb 0.17 -0.27 0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1s4e n LEU 214 CO 0.39 -0.12 0.09 0.61 -1.33 0.00 0.00 177.39 177.04 1s4e n GLY 215 N 1.33 -0.13 3.33 -0.72 0.00 -0.39 -5.02 105.19 103.59 1s4e n GLY 215 Ca 0.05 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 1s4e n GLY 215 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4e s LYS 216 N -5.65 1.29 -0.02 1.61 1.02 -0.56 -5.05 119.74 112.38 1s4e s LYS 216 Ca 0.32 -1.57 0.19 0.00 0.02 0.00 0.00 55.97 54.92 1s4e s LYS 216 Cb -0.14 -1.04 -0.26 0.00 -0.52 0.00 0.00 37.83 35.87 1s4e s LYS 216 CO 0.39 0.17 0.53 0.39 -0.92 0.00 0.00 175.35 175.91 1s4e n GLU 217 N -0.35 0.70 -4.01 1.68 1.02 -1.26 -4.56 120.64 113.86 1s4e n GLU 217 Ca -0.08 -0.12 -0.08 0.00 -0.02 0.00 0.00 57.16 56.86 1s4e n GLU 217 Cb 0.60 -1.42 -0.09 0.00 -0.02 0.00 0.00 31.44 30.52 1s4e n GLU 217 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1s4e s SER 218 N -3.69 0.31 0.10 1.62 0.15 -1.26 -4.75 113.70 106.18 1s4e s SER 218 Ca -0.02 -0.89 0.27 0.00 0.70 0.00 0.00 55.95 56.00 1s4e s SER 218 Cb 0.13 0.27 1.02 0.00 -1.71 0.00 0.00 66.02 65.73 1s4e s SER 218 CO 0.77 -0.68 1.84 -1.54 1.20 0.00 0.00 173.24 174.83 1s4e n SER 219 N 0.01 0.39 0.18 5.45 3.41 0.84 -2.67 113.62 121.23 1s4e n SER 219 Ca -0.13 0.54 0.03 0.00 -0.26 0.00 0.00 58.87 59.05 1s4e n SER 219 Cb 0.62 -0.64 0.40 0.00 -0.26 0.00 0.00 64.21 64.33 1s4e n SER 219 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1s4e h LYS 220 N 0.00 0.05 0.00 4.33 1.57 -1.81 -3.28 116.57 117.43 1s4e h LYS 220 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1s4e h LYS 220 Cb 0.59 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1s4e h LYS 220 CO 0.00 0.32 0.00 0.39 -0.57 0.00 0.00 179.45 179.59 1s4e n GLU 221 N -4.20 0.57 -4.56 3.15 1.02 -1.09 -4.91 120.64 110.62 1s4e n GLU 221 Ca -0.02 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.79 1s4e n GLU 221 Cb 0.33 -1.17 -0.15 0.00 -0.02 0.00 0.00 31.44 30.43 1s4e n GLU 221 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1s4e s VAL 222 N -2.00 2.78 0.72 2.62 1.01 -1.24 -5.06 120.40 119.24 1s4e s VAL 222 Ca 0.09 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1s4e s VAL 222 Cb 0.04 -2.18 0.14 0.00 0.00 0.00 0.00 36.38 34.38 1s4e s VAL 222 CO 0.07 0.51 0.99 -0.89 0.00 0.00 0.00 175.10 175.78 1s4e s THR 223 N 0.74 2.05 0.24 3.92 2.01 -1.26 -4.96 115.64 118.38 1s4e s THR 223 Ca -0.06 -0.67 -0.03 0.00 0.31 0.00 0.00 61.69 61.24 1s4e s THR 223 Cb -0.15 -2.38 0.09 0.00 0.01 0.00 0.00 72.50 70.07 1s4e s THR 223 CO 0.01 0.00 1.72 -0.08 -0.69 0.00 0.00 174.62 175.58 1s4e h GLU 224 N -0.49 0.78 -0.32 4.92 4.57 -2.00 -2.56 114.58 119.49 1s4e h GLU 224 Ca -0.34 -0.24 -0.08 0.00 -1.18 0.00 0.00 59.36 57.52 1s4e h GLU 224 Cb 1.27 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 1s4e h GLU 224 CO 0.38 0.84 -0.11 0.87 -1.18 0.00 0.00 179.01 179.80 1s4e h LYS 225 N 0.71 0.65 -0.19 1.92 6.56 -1.99 -2.89 116.57 121.34 1s4e h LYS 225 Ca 0.13 -0.26 0.05 0.00 -1.06 0.00 0.00 60.65 59.50 1s4e h LYS 225 Cb 0.55 -0.03 -0.07 0.00 -0.57 0.00 0.00 32.23 32.11 1s4e h LYS 225 CO 0.03 0.84 -0.33 -0.44 -2.06 0.00 0.00 179.45 177.49 1s4e h ASP 226 N 0.42 -1.06 -0.94 0.86 3.32 -1.95 -2.55 116.42 114.52 1s4e h ASP 226 Ca 0.08 0.16 0.12 0.00 0.02 0.00 0.00 57.03 57.41 1s4e h ASP 226 Cb 0.63 0.46 -0.08 0.00 0.22 0.00 0.00 39.33 40.56 1s4e h ASP 226 CO 0.04 -0.36 0.60 -0.07 -1.72 0.00 0.00 179.24 177.73 1s4e h LEU 227 N -0.38 0.81 -1.09 1.55 3.38 -1.37 0.26 115.31 118.48 1s4e h LEU 227 Ca 0.11 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1s4e h LEU 227 Cb 0.55 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1s4e h LEU 227 CO -0.40 0.44 0.00 1.23 0.09 0.00 0.00 178.44 179.80 1s4e h GLY 228 N 0.87 0.00 2.00 0.83 0.00 -1.25 -2.21 103.07 103.31 1s4e h GLY 228 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.79 1s4e h GLY 228 CO -0.22 0.00 0.00 0.50 0.00 0.00 0.00 176.54 176.82 1s4e h LYS 229 N 0.00 0.00 -7.05 4.80 6.56 -0.21 -3.47 116.57 117.20 1s4e h LYS 229 Ca 0.00 0.00 -0.50 0.00 -1.06 0.00 0.00 60.65 59.09 1s4e h LYS 229 Cb 0.26 0.00 0.04 0.00 -0.57 0.00 0.00 32.23 31.95 1s4e h LYS 229 CO 0.00 0.00 0.21 -0.51 -2.06 0.00 0.00 179.45 177.09 1s4e s LEU 230 N -5.40 3.55 0.67 2.94 1.43 -0.83 -5.04 118.68 115.99 1s4e s LEU 230 Ca 0.07 1.12 -0.09 0.00 -1.03 0.00 0.00 54.13 54.20 1s4e s LEU 230 Cb 0.09 -4.09 0.02 0.00 0.03 0.00 0.00 46.19 42.24 1s4e s LEU 230 CO 0.58 -0.63 1.01 -2.16 0.23 0.00 0.00 176.35 175.38 1s4e s PRO 231 N -4.71 2.75 0.24 1.29 0.04 -1.26 -4.78 135.00 128.57 1s4e s PRO 231 Ca 0.51 0.17 -0.08 0.00 0.04 0.00 0.00 61.00 61.64 1s4e s PRO 231 Cb -0.10 -2.14 0.40 0.00 0.04 0.00 0.00 34.50 32.70 1s4e s PRO 231 CO 0.45 -0.96 1.65 -1.35 0.04 0.00 0.00 177.00 176.83 1s4e h PRO 232 N -0.48 0.11 -0.03 0.56 0.11 -1.98 -1.26 132.00 129.03 1s4e h PRO 232 Ca -0.45 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 1s4e h PRO 232 Cb 1.27 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.36 1s4e h PRO 232 CO 0.62 0.08 -0.42 1.25 -0.21 0.00 0.00 178.00 179.32 1s4e h LEU 233 N 0.12 0.42 -1.25 2.35 5.85 -1.99 -1.99 115.31 118.82 1s4e h LEU 233 Ca 0.39 -0.72 0.14 0.00 0.84 0.00 0.00 57.88 58.53 1s4e h LEU 233 Cb 0.67 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.50 1s4e h LEU 233 CO -0.62 1.08 0.58 0.45 -0.34 0.00 0.00 178.44 179.59 1s4e h HIS 234 N -0.20 0.86 0.10 1.25 3.86 -1.83 -2.33 115.15 116.87 1s4e h HIS 234 Ca -0.04 0.02 -0.28 0.00 -1.16 0.00 0.00 60.37 58.91 1s4e h HIS 234 Cb 1.12 -0.27 0.02 0.00 1.06 0.00 0.00 27.41 29.34 1s4e h HIS 234 CO 0.15 0.32 -1.20 -0.09 0.86 0.00 0.00 177.93 177.97 1s4e h ARG 235 N 0.74 0.53 -0.24 2.45 2.43 -1.10 -1.72 114.38 117.46 1s4e h ARG 235 Ca 0.45 -0.70 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1s4e h ARG 235 Cb 0.68 0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1s4e h ARG 235 CO -0.21 1.30 0.16 -0.22 -1.51 0.00 0.00 179.97 179.49 1s4e h LYS 236 N 0.23 0.32 -0.01 0.20 3.64 -1.18 0.66 116.57 120.43 1s4e h LYS 236 Ca -0.16 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.04 1s4e h LYS 236 Cb 1.87 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.60 1s4e h LYS 236 CO 0.22 0.22 -0.75 0.74 -2.27 0.00 0.00 179.45 177.62 1s4e h PHE 237 N 0.32 0.08 0.03 1.91 0.05 -1.40 -3.22 116.94 114.70 1s4e h PHE 237 Ca 0.09 -0.04 -0.28 0.00 3.82 0.00 0.00 57.97 61.56 1s4e h PHE 237 Cb -0.02 -0.01 -0.03 0.00 2.00 0.00 0.00 35.95 37.88 1s4e h PHE 237 CO -0.06 0.78 -1.50 0.35 -0.18 0.00 0.00 178.31 177.69 1s4e h PHE 238 N 0.03 0.13 -0.62 -0.55 3.57 -1.21 -3.13 116.94 115.15 1s4e h PHE 238 Ca -0.01 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.42 1s4e h PHE 238 Cb 1.31 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 40.02 1s4e h PHE 238 CO 0.01 1.13 0.41 0.77 -2.23 0.00 0.00 178.31 178.40 1s4e h SER 239 N 0.02 0.65 0.32 0.41 0.02 -0.92 -1.43 113.55 112.62 1s4e h SER 239 Ca -0.21 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1s4e h SER 239 Cb 1.95 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 64.33 1s4e h SER 239 CO 0.11 0.45 -0.24 0.22 -1.14 0.00 0.00 176.83 176.23 1s4e h TYR 240 N 0.75 -0.62 -0.48 3.45 3.20 -1.56 -2.42 116.97 119.29 1s4e h TYR 240 Ca 0.25 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.20 1s4e h TYR 240 Cb 0.05 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 1s4e h TYR 240 CO -0.00 -0.36 0.33 0.82 -1.64 0.00 0.00 178.16 177.31 1s4e h ILE 241 N -0.55 0.90 0.03 1.81 2.04 -1.24 -0.17 117.51 120.33 1s4e h ILE 241 Ca -0.02 -0.10 -0.26 0.00 1.00 0.00 0.00 64.86 65.48 1s4e h ILE 241 Cb 0.48 0.58 0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1s4e h ILE 241 CO -0.00 0.05 -1.02 0.58 0.00 0.00 0.00 178.15 177.76 1s4e h VAL 242 N 0.30 1.30 0.00 1.67 2.07 -1.23 -2.41 116.25 117.95 1s4e h VAL 242 Ca 0.22 -2.27 -0.04 0.00 0.82 0.00 0.00 66.70 65.43 1s4e h VAL 242 Cb 0.49 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 1s4e h VAL 242 CO -0.05 0.69 -0.19 0.03 0.02 0.00 0.00 177.57 178.07 1s4e h ARG 243 N 0.28 0.00 -0.12 1.57 3.08 -0.89 -2.88 114.38 115.42 1s4e h ARG 243 Ca -0.14 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.76 1s4e h ARG 243 Cb 1.69 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.75 1s4e h ARG 243 CO 0.20 0.19 -0.53 0.93 -1.07 0.00 0.00 179.97 179.69 1s4e h GLU 244 N 0.00 0.57 -0.84 0.04 4.39 -0.84 -2.68 114.58 115.22 1s4e h GLU 244 Ca -0.00 -0.45 0.10 0.00 0.34 0.00 0.00 59.36 59.35 1s4e h GLU 244 Cb 0.36 0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 29.02 1s4e h GLU 244 CO 0.02 1.08 0.48 -0.91 -1.16 0.00 0.00 179.01 178.52 1s4e h ASN 245 N 0.20 0.68 -0.38 1.42 2.35 -1.41 0.11 115.58 118.55 1s4e h ASN 245 Ca -0.03 0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 1s4e h ASN 245 Cb 1.17 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.44 1s4e h ASN 245 CO 0.11 0.37 0.01 0.00 -1.65 0.00 0.00 177.43 176.27 1s4e h ALA 246 N 1.48 1.15 -0.07 -0.83 0.00 -1.50 -2.84 119.26 116.65 1s4e h ALA 246 Ca 0.42 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 1s4e h ALA 246 Cb 0.42 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1s4e h ALA 246 CO -0.27 0.55 -0.77 0.00 0.00 0.00 0.00 179.25 178.77 1s4e h ARG 247 N 0.71 0.42 -0.47 0.00 3.08 -0.85 -2.63 114.38 114.64 1s4e h ARG 247 Ca 0.14 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 1s4e h ARG 247 Cb 0.42 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1s4e h ARG 247 CO 0.02 1.00 0.27 0.28 -1.07 0.00 0.00 179.97 180.47 1s4e h VAL 248 N 0.28 1.15 -0.08 2.04 2.07 -0.66 -0.03 116.25 121.03 1s4e h VAL 248 Ca -0.04 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1s4e h VAL 248 Cb 1.36 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1s4e h VAL 248 CO 0.13 0.16 -0.00 -0.07 0.02 0.00 0.00 177.57 177.81 1s4e h LEU 249 N 0.62 0.09 0.00 2.57 3.38 -1.43 -1.29 115.31 119.24 1s4e h LEU 249 Ca 0.17 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 1s4e h LEU 249 Cb 0.01 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.75 1s4e h LEU 249 CO -0.03 0.12 -0.46 -0.33 0.09 0.00 0.00 178.44 177.83 1s4e h GLU 250 N 0.11 0.31 -0.43 1.13 4.39 -1.03 -2.94 114.58 116.11 1s4e h GLU 250 Ca 0.03 -0.33 0.02 0.00 0.34 0.00 0.00 59.36 59.41 1s4e h GLU 250 Cb 0.08 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1s4e h GLU 250 CO 0.00 1.03 0.29 0.28 -1.16 0.00 0.00 179.01 179.45 1s4e h VAL 251 N -0.28 1.07 -0.41 3.13 2.07 -0.76 -2.23 116.25 118.84 1s4e h VAL 251 Ca -0.06 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 1s4e h VAL 251 Cb 1.19 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1s4e h VAL 251 CO 0.09 0.10 0.02 -0.09 0.02 0.00 0.00 177.57 177.71 1s4e h ARG 252 N 0.52 0.70 -0.65 1.57 2.43 -1.23 0.76 114.38 118.49 1s4e h ARG 252 Ca 0.17 -0.21 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 1s4e h ARG 252 Cb 0.03 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1s4e h ARG 252 CO -0.04 0.78 0.13 -0.44 -1.51 0.00 0.00 179.97 178.88 1s4e h ASP 253 N 0.54 0.99 0.44 -3.80 3.32 -1.27 -1.97 116.42 114.66 1s4e h ASP 253 Ca 0.12 -0.22 -0.30 0.00 0.02 0.00 0.00 57.03 56.65 1s4e h ASP 253 Cb 0.44 -0.26 0.02 0.00 0.22 0.00 0.00 39.33 39.75 1s4e h ASP 253 CO 0.02 0.97 -1.34 0.00 -1.72 0.00 0.00 179.24 177.17 1s4e h ALA 254 N 1.15 -0.02 -0.02 3.45 0.00 -1.30 -3.23 119.26 119.29 1s4e h ALA 254 Ca 0.20 -0.86 -0.18 0.00 0.00 0.00 0.00 54.91 54.07 1s4e h ALA 254 Cb 0.39 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1s4e h ALA 254 CO 0.01 0.83 -0.80 1.25 0.00 0.00 0.00 179.25 180.54 1s4e h LEU 255 N 0.12 0.26 0.00 0.00 6.46 -0.87 -2.41 115.31 118.87 1s4e h LEU 255 Ca -0.19 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.38 1s4e h LEU 255 Cb 2.05 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.90 1s4e h LEU 255 CO 0.24 0.95 0.00 0.29 -0.62 0.00 0.00 178.44 179.30 1s4e n LYS 256 N -3.72 0.55 0.00 1.25 5.02 -0.74 -4.77 118.16 115.75 1s4e n LYS 256 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1s4e n LYS 256 Cb 0.75 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.57 1s4e n LYS 256 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1s4e n GLU 257 N -0.69 0.00 0.00 1.97 4.07 -0.93 -5.05 120.64 120.01 1s4e n GLU 257 Ca 0.05 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 1s4e n GLU 257 Cb 0.02 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.40 1s4e n GLU 257 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1s4e n ASP 259 N -0.90 0.00 0.27 4.31 -0.08 -1.09 -5.00 116.55 114.06 1s4e n ASP 259 Ca 0.00 0.00 0.18 0.00 -1.51 0.00 0.00 54.79 53.46 1s4e n ASP 259 Cb 0.00 0.00 0.88 0.00 2.34 0.00 0.00 41.12 44.34 1s4e n ASP 259 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1s4e h ILE 260 N 0.00 0.00 -0.07 5.18 6.09 -1.96 -2.74 117.51 124.01 1s4e h ILE 260 Ca 0.00 -0.20 -0.23 0.00 -1.37 0.00 0.00 64.86 63.06 1s4e h ILE 260 Cb 0.00 1.11 0.01 0.00 0.47 0.00 0.00 36.82 38.41 1s4e h ILE 260 CO 0.00 0.00 -0.88 -0.33 -3.07 0.00 0.00 178.15 173.87 1s4e h GLU 261 N 0.00 0.66 -0.30 2.19 3.07 -1.96 -2.40 114.58 115.84 1s4e h GLU 261 Ca 0.00 -0.61 -0.12 0.00 -0.50 0.00 0.00 59.36 58.12 1s4e h GLU 261 Cb 0.21 0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 1s4e h GLU 261 CO 0.00 1.22 -0.32 -0.22 -1.40 0.00 0.00 179.01 178.29 1s4e h LYS 262 N 0.41 0.65 -0.10 2.33 3.64 -1.89 -2.78 116.57 118.84 1s4e h LYS 262 Ca -0.08 -0.29 -0.03 0.00 -1.27 0.00 0.00 60.65 58.97 1s4e h LYS 262 Cb 1.51 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.31 1s4e h LYS 262 CO 0.17 0.89 -0.09 0.28 -2.27 0.00 0.00 179.45 178.43 1s4e h VAL 263 N 0.56 1.13 -0.03 2.00 2.07 -1.46 -2.74 116.25 117.76 1s4e h VAL 263 Ca 0.06 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 1s4e h VAL 263 Cb 0.82 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1s4e h VAL 263 CO 0.07 0.17 -0.08 1.23 0.02 0.00 0.00 177.57 178.97 1s4e h GLY 264 N 0.54 0.12 2.00 2.17 0.00 -1.18 -2.53 103.07 104.19 1s4e h GLY 264 Ca 0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1s4e h GLY 264 CO 0.01 0.14 -0.01 0.07 0.00 0.00 0.00 176.54 176.76 1s4e h LYS 265 N -0.44 0.00 0.04 4.80 2.10 -1.46 -2.32 116.57 119.29 1s4e h LYS 265 Ca -0.00 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.34 1s4e h LYS 265 Cb 0.69 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.98 1s4e h LYS 265 CO 0.02 0.01 -1.71 0.82 -2.00 0.00 0.00 179.45 176.58 1s4e h ILE 266 N 0.00 0.88 -0.11 0.07 2.04 -1.30 -3.00 117.51 116.09 1s4e h ILE 266 Ca -0.00 -2.67 -0.19 0.00 1.00 0.00 0.00 64.86 62.99 1s4e h ILE 266 Cb 0.04 2.50 -0.00 0.00 -0.74 0.00 0.00 36.82 38.62 1s4e h ILE 266 CO 0.00 0.65 -0.73 -0.07 0.00 0.00 0.00 178.15 178.00 1s4e h LEU 267 N 0.02 0.61 0.05 1.44 3.38 -1.25 -2.55 115.31 117.02 1s4e h LEU 267 Ca -0.30 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.31 1s4e h LEU 267 Cb 2.00 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 42.53 1s4e h LEU 267 CO 0.09 1.15 -0.30 0.74 0.09 0.00 0.00 178.44 180.21 1s4e h THR 268 N 0.36 0.35 -0.80 0.22 2.02 -1.33 0.50 112.91 114.23 1s4e h THR 268 Ca -0.03 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.22 1s4e h THR 268 Cb 1.31 0.35 -0.05 0.00 -1.74 0.00 0.00 68.15 68.02 1s4e h THR 268 CO 0.13 0.00 0.52 0.74 0.37 0.00 0.00 175.52 177.28 1s4e h THR 269 N -0.48 1.00 -0.59 3.16 2.02 -1.55 1.00 112.91 117.48 1s4e h THR 269 Ca 0.05 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 1s4e h THR 269 Cb 0.54 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 1s4e h THR 269 CO -0.22 0.15 0.31 0.00 0.37 0.00 0.00 175.52 176.13 1s4e h ALA 270 N 1.58 0.76 -0.33 6.16 0.00 -0.99 -2.29 119.26 124.15 1s4e h ALA 270 Ca 0.35 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1s4e h ALA 270 Cb 0.32 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1s4e h ALA 270 CO -0.13 0.29 0.20 1.25 0.00 0.00 0.00 179.25 180.86 1s4e h HIS 271 N 0.80 0.38 0.00 0.00 6.17 0.15 -0.88 115.15 121.77 1s4e h HIS 271 Ca 0.21 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.30 1s4e h HIS 271 Cb 0.07 -0.12 0.00 0.00 2.52 0.00 0.00 27.41 29.87 1s4e h HIS 271 CO -0.01 0.23 0.00 -1.49 0.71 0.00 0.00 177.93 177.37 1s4e h TRP 272 N 0.41 0.00 0.00 5.26 4.06 -1.42 -1.39 115.95 122.87 1s4e h TRP 272 Ca 0.12 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.99 1s4e h TRP 272 Cb -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.13 1s4e h TRP 272 CO -0.07 0.00 -0.95 0.22 -3.56 0.00 0.00 178.44 174.08 1s4e h ASP 273 N 0.00 0.00 -0.04 -3.49 3.58 -1.01 -2.57 116.42 112.88 1s4e h ASP 273 Ca 0.00 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.23 1s4e h ASP 273 Cb 0.68 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.74 1s4e h ASP 273 CO 0.00 0.30 -0.81 -0.07 -2.88 0.00 0.00 179.24 175.79 1s4e h LEU 274 N 0.00 0.85 0.18 2.28 3.38 -0.91 -2.80 115.31 118.29 1s4e h LEU 274 Ca -0.06 -0.57 -0.33 0.00 0.09 0.00 0.00 57.88 57.00 1s4e h LEU 274 Cb 1.29 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.80 1s4e h LEU 274 CO 0.03 1.37 -1.61 0.00 0.09 0.00 0.00 178.44 178.31 1s4e h ALA 275 N 0.61 0.09 0.00 1.53 0.00 -1.31 -0.92 119.26 119.26 1s4e h ALA 275 Ca -0.06 -1.07 -0.03 0.00 0.00 0.00 0.00 54.91 53.76 1s4e h ALA 275 Cb 1.43 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 1s4e h ALA 275 CO 0.16 0.91 -1.27 -0.85 0.00 0.00 0.00 179.25 178.19 1s4e n GLU 276 N -3.70 0.62 -0.01 0.00 0.28 -0.97 -3.73 120.64 113.13 1s4e n GLU 276 Ca -0.23 0.07 -0.02 0.00 -0.16 0.00 0.00 57.16 56.82 1s4e n GLU 276 Cb 1.04 -1.76 -0.01 0.00 1.43 0.00 0.00 31.44 32.14 1s4e n GLU 276 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1s4e n ASN 277 N -2.62 3.02 -0.02 -1.84 3.02 -1.13 -4.65 115.26 111.04 1s4e n ASN 277 Ca -0.03 -0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.65 1s4e n ASN 277 Cb 0.60 -0.05 0.43 0.00 -0.61 0.00 0.00 39.78 40.15 1s4e n ASN 277 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s4e n TYR 278 N -2.70 0.00 -4.14 3.10 9.36 -1.06 -4.64 117.16 117.09 1s4e n TYR 278 Ca -0.05 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.83 1s4e n TYR 278 Cb 0.55 -0.33 -0.01 0.00 -0.63 0.00 0.00 39.34 38.92 1s4e n TYR 278 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 1s4e n ARG 279 N -1.41 -3.81 -0.07 2.98 1.85 -0.38 -4.86 116.66 110.97 1s4e n ARG 279 Ca 0.07 0.43 0.02 0.00 -1.00 0.00 0.00 57.85 57.38 1s4e n ARG 279 Cb 0.33 -5.20 0.06 0.00 -1.05 0.00 0.00 32.46 26.60 1s4e n ARG 279 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 1s4e n VAL 280 N -4.47 1.11 -0.71 8.89 0.24 -1.10 -5.00 118.33 117.29 1s4e n VAL 280 Ca 0.06 -1.12 0.00 0.00 -2.04 0.00 0.00 64.34 61.24 1s4e n VAL 280 Cb 0.50 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 33.29 1s4e n VAL 280 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1s4e n SER 281 N -0.30 0.00 0.00 -1.34 2.88 -1.26 -1.24 113.62 112.36 1s4e n SER 281 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1s4e n SER 281 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 1s4e n SER 281 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s4e n GLU 284 N 0.00 0.00 -0.24 0.00 0.28 -1.26 -3.28 120.64 116.14 1s4e n GLU 284 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.99 1s4e n GLU 284 Cb 0.00 0.00 0.11 0.00 1.43 0.00 0.00 31.44 32.98 1s4e n GLU 284 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1s4e h LEU 285 N 0.00 0.57 -1.53 -1.84 3.38 -1.96 -0.08 115.31 113.84 1s4e h LEU 285 Ca 0.00 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1s4e h LEU 285 Cb 0.00 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1s4e h LEU 285 CO 0.00 0.36 0.36 0.44 0.09 0.00 0.00 178.44 179.69 1s4e h ASP 286 N 0.70 0.53 0.02 -0.43 3.32 -1.96 -2.80 116.42 115.79 1s4e h ASP 286 Ca 0.32 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 1s4e h ASP 286 Cb 0.22 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1s4e h ASP 286 CO -0.20 0.36 -0.01 0.15 -1.72 0.00 0.00 179.24 177.83 1s4e h PHE 287 N 0.61 -0.02 -0.48 4.55 3.57 -1.30 -3.01 116.94 120.85 1s4e h PHE 287 Ca 0.22 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.83 1s4e h PHE 287 Cb 0.12 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1s4e h PHE 287 CO -0.00 0.14 0.33 0.35 -2.23 0.00 0.00 178.31 176.90 1s4e h PHE 288 N -0.18 0.18 0.07 0.41 3.57 -1.11 -2.67 116.94 117.19 1s4e h PHE 288 Ca -0.00 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.28 1s4e h PHE 288 Cb 0.17 -0.06 0.02 0.00 2.79 0.00 0.00 35.95 38.88 1s4e h PHE 288 CO -0.02 0.08 -0.92 0.28 -2.23 0.00 0.00 178.31 175.50 1s4e h VAL 289 N 0.17 1.37 -0.26 1.41 2.07 -1.48 -2.40 116.25 117.13 1s4e h VAL 289 Ca 0.23 -2.31 -0.04 0.00 0.82 0.00 0.00 66.70 65.39 1s4e h VAL 289 Cb 0.68 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 33.14 1s4e h VAL 289 CO -0.03 0.69 -0.01 0.11 0.02 0.00 0.00 177.57 178.34 1s4e h LYS 290 N 0.06 0.46 0.00 1.57 6.56 -1.36 -3.06 116.57 120.80 1s4e h LYS 290 Ca -0.13 -0.15 -0.05 0.00 -1.06 0.00 0.00 60.65 59.25 1s4e h LYS 290 Cb 1.63 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 33.25 1s4e h LYS 290 CO 0.18 0.64 -0.23 1.57 -2.06 0.00 0.00 179.45 179.55 1s4e h LYS 291 N 0.23 0.00 -0.44 3.15 2.10 -1.61 -2.88 116.57 117.12 1s4e h LYS 291 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 1s4e h LYS 291 Cb 0.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 1s4e h LYS 291 CO 0.02 0.23 0.00 0.00 -2.00 0.00 0.00 179.45 177.69 1s4e n ALA 292 N -2.22 1.66 0.00 0.07 0.00 -0.90 -2.06 120.51 117.05 1s4e n ALA 292 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1s4e n ALA 292 Cb 0.44 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1s4e n ALA 292 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s4e n GLU 294 N 0.28 0.00 -1.09 0.00 4.71 -1.09 -3.45 120.64 120.00 1s4e n GLU 294 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.16 56.91 1s4e n GLU 294 Cb 0.11 0.00 0.11 0.00 -1.01 0.00 0.00 31.44 30.65 1s4e n GLU 294 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 1s4e n LEU 295 N 0.00 6.64 0.00 -4.62 -0.00 -0.88 -5.22 117.00 112.92 1s4e n LEU 295 Ca 0.00 -3.56 0.00 0.00 -0.00 0.00 0.00 56.01 52.45 1s4e n LEU 295 Cb 0.00 -0.88 0.00 0.00 -0.00 0.00 0.00 43.42 42.54 1s4e n LEU 295 CO 0.00 1.15 0.00 0.00 -0.00 0.00 0.00 177.39 178.54 1s4e n ALA 297 N -0.71 0.00 -0.03 1.47 0.00 -1.22 -5.13 120.51 114.89 1s4e n ALA 297 Ca 0.51 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.82 1s4e n ALA 297 Cb 1.11 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.48 1s4e n ALA 297 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1s4e h TYR 298 N 0.00 0.15 -3.28 0.00 -1.99 -1.53 -3.47 116.97 106.85 1s4e h TYR 298 Ca 0.00 -0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.68 1s4e h TYR 298 Cb 0.00 -0.03 -0.09 0.00 2.00 0.00 0.00 36.73 38.60 1s4e h TYR 298 CO 0.00 0.50 0.06 0.20 -0.00 0.00 0.00 178.16 178.92 1s4e s GLY 299 N -3.11 -0.05 0.06 3.88 0.00 -1.25 -3.69 107.32 103.16 1s4e s GLY 299 Ca -0.15 -0.28 -0.12 0.00 0.00 0.00 0.00 44.72 44.18 1s4e s GLY 299 CO 0.70 -0.25 0.26 0.00 0.00 0.00 0.00 173.10 173.80 1s4e s ALA 300 N -3.89 -0.51 -0.29 3.20 0.00 -1.26 -0.19 121.76 118.81 1s4e s ALA 300 Ca 0.11 -0.23 -0.25 0.00 0.00 0.00 0.00 51.96 51.59 1s4e s ALA 300 Cb -0.02 0.39 0.17 0.00 0.00 0.00 0.00 23.12 23.66 1s4e s ALA 300 CO -0.00 -0.45 1.32 0.50 0.00 0.00 0.00 175.76 177.12 1s4e s ARG 301 N -3.02 0.20 0.72 0.00 3.52 -0.17 -3.02 118.95 117.18 1s4e s ARG 301 Ca -0.02 0.23 -0.16 0.00 -0.13 0.00 0.00 55.73 55.66 1s4e s ARG 301 Cb 0.01 0.10 -0.00 0.00 -1.56 0.00 0.00 34.95 33.49 1s4e s ARG 301 CO -0.06 -0.02 0.87 1.47 -0.81 0.00 0.00 175.30 176.75 1s4e n LEU 302 N 1.78 2.90 -3.94 -0.88 -0.00 -1.26 -0.69 117.00 114.92 1s4e n LEU 302 Ca -0.11 0.65 -0.14 0.00 -0.00 0.00 0.00 56.01 56.41 1s4e n LEU 302 Cb 0.57 -1.36 -0.14 0.00 -0.00 0.00 0.00 43.42 42.48 1s4e n LEU 302 CO 0.01 -2.28 -0.38 0.28 -0.00 0.00 0.00 177.39 175.02 1s4e s THR 303 N -1.85 0.25 0.00 1.47 -1.32 -0.92 -4.71 115.64 108.56 1s4e s THR 303 Ca 0.71 -0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.94 1s4e s THR 303 Cb -0.34 -0.24 0.00 0.00 -1.51 0.00 0.00 72.50 70.41 1s4e s THR 303 CO 0.52 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.54 1s4e n GLY 304 N 2.79 -0.16 0.17 6.08 0.00 -1.26 -4.09 105.19 108.72 1s4e n GLY 304 Ca -0.14 -1.62 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 1s4e n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s4e h ALA 305 N 0.00 0.46 0.00 4.61 0.00 -1.95 -3.44 119.26 118.94 1s4e h ALA 305 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1s4e h ALA 305 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1s4e h ALA 305 CO 0.00 0.79 0.00 0.41 0.00 0.00 0.00 179.25 180.45 1s4e n GLY 306 N 0.77 -1.41 3.38 0.00 0.00 -1.26 -4.88 105.19 101.79 1s4e n GLY 306 Ca -0.06 -2.08 -0.17 0.00 0.00 0.00 0.00 46.02 43.72 1s4e n GLY 306 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1s4e n PHE 307 N 0.00 -2.18 0.00 1.61 3.01 -0.37 -4.29 117.46 115.24 1s4e n PHE 307 Ca 0.00 0.92 0.00 0.00 1.01 0.00 0.00 57.45 59.38 1s4e n PHE 307 Cb 0.00 -4.98 0.00 0.00 -0.01 0.00 0.00 39.48 34.49 1s4e n PHE 307 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s4e n GLY 308 N -1.14 0.84 7.00 1.37 0.00 -1.26 -3.23 105.19 108.77 1s4e n GLY 308 Ca -0.27 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1s4e n GLY 308 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s4e n GLY 309 N 0.00 1.94 3.77 -0.02 0.00 -0.28 -4.87 105.19 105.73 1s4e n GLY 309 Ca 0.00 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 1s4e n GLY 309 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s4e s SER 310 N -4.00 4.12 0.01 1.61 0.01 -1.26 -2.82 113.70 111.38 1s4e s SER 310 Ca 0.00 -1.69 -0.16 0.00 1.31 0.00 0.00 55.95 55.41 1s4e s SER 310 Cb 0.00 0.63 0.03 0.00 0.21 0.00 0.00 66.02 66.89 1s4e s SER 310 CO 0.00 -0.90 0.34 0.00 0.41 0.00 0.00 173.24 173.08 1s4e s ALA 311 N -2.91 -0.82 0.37 1.44 0.00 -0.14 -2.17 121.76 117.53 1s4e s ALA 311 Ca 0.03 0.24 0.09 0.00 0.00 0.00 0.00 51.96 52.32 1s4e s ALA 311 Cb 0.01 0.20 -0.07 0.00 0.00 0.00 0.00 23.12 23.26 1s4e s ALA 311 CO 0.01 -0.35 -0.03 0.96 0.00 0.00 0.00 175.76 176.36 1s4e s ILE 312 N -1.94 2.23 -0.23 0.00 -4.36 0.13 -0.87 121.20 116.16 1s4e s ILE 312 Ca -0.09 -2.07 -0.16 0.00 -0.26 0.00 0.00 60.65 58.07 1s4e s ILE 312 Cb -0.03 -2.80 0.07 0.00 1.25 0.00 0.00 42.46 40.94 1s4e s ILE 312 CO 0.01 -0.13 0.57 0.00 0.24 0.00 0.00 174.94 175.63 1s4e s ALA 313 N -2.63 -1.48 -0.06 2.27 0.00 -0.72 -1.00 121.76 118.15 1s4e s ALA 313 Ca 0.34 1.88 -0.15 0.00 0.00 0.00 0.00 51.96 54.03 1s4e s ALA 313 Cb 0.04 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.00 1s4e s ALA 313 CO 0.18 -0.31 0.39 -0.51 0.00 0.00 0.00 175.76 175.51 1s4e s LEU 314 N 1.07 4.39 -0.23 0.00 1.43 0.73 -1.33 118.68 124.74 1s4e s LEU 314 Ca -0.06 0.84 -0.12 0.00 -1.03 0.00 0.00 54.13 53.76 1s4e s LEU 314 Cb -0.06 -2.55 0.08 0.00 0.03 0.00 0.00 46.19 43.69 1s4e s LEU 314 CO -0.10 0.22 0.55 -0.69 0.23 0.00 0.00 176.35 176.57 1s4e s VAL 315 N -0.46 -0.22 0.14 -1.59 1.01 -0.90 -1.25 120.40 117.12 1s4e s VAL 315 Ca 0.23 0.05 -0.34 0.00 0.00 0.00 0.00 61.98 61.92 1s4e s VAL 315 Cb -0.16 -0.82 -0.13 0.00 0.00 0.00 0.00 36.38 35.27 1s4e s VAL 315 CO 0.11 0.02 1.63 -0.90 0.00 0.00 0.00 175.10 175.96 1s4e n ASP 316 N 4.59 3.23 -0.26 3.32 5.68 -1.26 -0.76 116.55 131.08 1s4e n ASP 316 Ca -0.19 1.07 0.09 0.00 -0.50 0.00 0.00 54.79 55.26 1s4e n ASP 316 Cb 0.55 -1.44 0.34 0.00 -1.14 0.00 0.00 41.12 39.44 1s4e n ASP 316 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1s4e h LYS 317 N 6.42 0.75 -1.15 0.11 6.56 -1.83 -1.85 116.57 125.58 1s4e h LYS 317 Ca -0.45 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.09 1s4e h LYS 317 Cb 1.25 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 32.74 1s4e h LYS 317 CO 0.90 0.50 0.00 -0.40 -2.06 0.00 0.00 179.45 178.39 1s4e n ASP 318 N -4.54 3.21 -0.64 0.86 3.85 -1.26 -3.00 116.55 115.02 1s4e n ASP 318 Ca 0.16 -2.00 -0.03 0.00 -0.71 0.00 0.00 54.79 52.21 1s4e n ASP 318 Cb 0.38 -0.57 -0.03 0.00 -1.35 0.00 0.00 41.12 39.55 1s4e n ASP 318 CO 0.00 0.00 0.00 2.29 -1.01 0.00 0.00 177.20 178.48 1s4e n LYS 319 N 0.64 0.00 0.06 0.11 0.00 -0.70 -5.01 118.16 113.26 1s4e n LYS 319 Ca 0.00 -0.40 -0.21 0.00 -0.00 0.00 0.00 58.31 57.70 1s4e n LYS 319 Cb 0.49 0.27 -0.14 0.00 -0.00 0.00 0.00 35.03 35.65 1s4e n LYS 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s4e h ALA 320 N 0.00 -0.08 0.00 0.58 0.00 -1.51 -3.24 119.26 115.02 1s4e h ALA 320 Ca -0.23 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1s4e h ALA 320 Cb 0.98 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1s4e h ALA 320 CO -0.12 0.45 0.00 1.57 0.00 0.00 0.00 179.25 181.15 1s4e h LYS 321 N -0.20 0.00 0.00 0.00 2.10 -1.93 -3.12 116.57 113.43 1s4e h LYS 321 Ca -0.16 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.27 1s4e h LYS 321 Cb 1.71 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 33.00 1s4e h LYS 321 CO 0.18 0.00 -1.72 2.41 -2.00 0.00 0.00 179.45 178.32 1s4e n THR 322 N -2.97 1.24 -0.05 0.07 -1.04 -1.25 -3.82 114.28 106.47 1s4e n THR 322 Ca -0.01 -0.74 -0.17 0.00 -2.04 0.00 0.00 64.05 61.10 1s4e n THR 322 Cb 0.20 -0.70 -0.13 0.00 -1.82 0.00 0.00 70.33 67.88 1s4e n THR 322 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1s4e h ILE 323 N 0.00 1.55 -0.43 12.58 2.04 -1.56 -3.06 117.51 128.62 1s4e h ILE 323 Ca -0.26 -2.36 -0.02 0.00 1.00 0.00 0.00 64.86 63.22 1s4e h ILE 323 Cb 1.77 3.12 -0.02 0.00 -0.74 0.00 0.00 36.82 40.95 1s4e h ILE 323 CO 0.05 0.59 0.18 1.23 0.00 0.00 0.00 178.15 180.19 1s4e h GLY 324 N -0.81 0.68 0.35 5.37 0.00 -1.79 -2.56 103.07 104.31 1s4e h GLY 324 Ca -0.11 -0.37 0.18 0.00 0.00 0.00 0.00 47.33 47.04 1s4e h GLY 324 CO -0.00 0.34 0.59 1.29 0.00 0.00 0.00 176.54 178.76 1s4e h ASP 325 N 0.55 0.55 -1.09 0.19 -0.00 -1.70 1.11 116.42 116.02 1s4e h ASP 325 Ca 0.14 0.05 -0.53 0.00 -0.00 0.00 0.00 57.03 56.70 1s4e h ASP 325 Cb 0.18 -0.05 -0.20 0.00 -0.00 0.00 0.00 39.33 39.26 1s4e h ASP 325 CO -0.01 0.24 0.56 0.00 -0.00 0.00 0.00 179.24 180.02 1s4e n ALA 326 N -2.46 6.18 0.00 4.15 0.00 -0.96 -3.44 120.51 123.98 1s4e n ALA 326 Ca 0.19 -2.99 0.00 0.00 0.00 0.00 0.00 53.44 50.65 1s4e n ALA 326 Cb 0.60 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1s4e n ALA 326 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1s4e n LEU 328 N 0.35 0.00 -0.39 0.00 4.77 0.38 -3.46 117.00 118.65 1s4e n LEU 328 Ca 0.47 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.38 1s4e n LEU 328 Cb 0.51 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 1s4e n LEU 328 CO 0.42 0.00 0.50 -2.11 -1.33 0.00 0.00 177.39 174.87 1s4e n ARG 329 N 0.00 -0.35 -0.92 3.23 1.85 -1.22 -1.89 116.66 117.36 1s4e n ARG 329 Ca 0.00 1.47 -0.10 0.00 -1.00 0.00 0.00 57.85 58.21 1s4e n ARG 329 Cb 0.00 -2.16 -0.15 0.00 -1.05 0.00 0.00 32.46 29.10 1s4e n ARG 329 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1s4e n GLU 330 N -5.28 1.84 -0.02 2.89 0.28 -1.22 -1.62 120.64 117.50 1s4e n GLU 330 Ca 0.05 -0.85 0.00 0.00 -0.16 0.00 0.00 57.16 56.20 1s4e n GLU 330 Cb 0.30 -1.86 0.00 0.00 1.43 0.00 0.00 31.44 31.31 1s4e n GLU 330 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 1s4e n LEU 332 N 2.37 0.04 -0.00 -1.84 -0.00 -0.79 -4.34 117.00 112.44 1s4e n LEU 332 Ca 0.37 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 56.37 1s4e n LEU 332 Cb 0.85 -0.08 -0.01 0.00 -0.00 0.00 0.00 43.42 44.18 1s4e n LEU 332 CO 0.11 -0.02 -0.53 0.00 -0.00 0.00 0.00 177.39 176.94 1s4e n ALA 333 N 0.57 1.99 1.01 1.47 0.00 -0.64 -4.69 120.51 120.22 1s4e n ALA 333 Ca 0.00 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.48 1s4e n ALA 333 Cb 0.00 0.14 -0.00 0.00 0.00 0.00 0.00 19.45 19.59 1s4e n ALA 333 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1s4e n LYS 334 N -1.89 0.18 -4.29 0.00 0.00 -1.26 -5.00 118.16 105.89 1s4e n LYS 334 Ca -0.01 -0.14 -0.19 0.00 -0.00 0.00 0.00 58.31 57.97 1s4e n LYS 334 Cb 0.39 -1.50 -0.08 0.00 -0.00 0.00 0.00 35.03 33.83 1s4e n LYS 334 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1s4e s PHE 335 N -2.92 1.66 0.00 5.58 0.40 -1.26 -5.10 117.98 116.34 1s4e s PHE 335 Ca 0.11 -1.58 0.08 0.00 -0.60 0.00 0.00 56.93 54.93 1s4e s PHE 335 Cb 0.17 -0.73 0.12 0.00 0.51 0.00 0.00 43.02 43.09 1s4e s PHE 335 CO 0.78 -0.78 1.00 -1.13 0.70 0.00 0.00 175.22 175.80 1s4e n SER 336 N -1.30 0.25 -4.73 1.36 3.41 -1.26 -4.20 113.62 107.14 1s4e n SER 336 Ca 0.05 -1.91 -0.41 0.00 -0.26 0.00 0.00 58.87 56.35 1s4e n SER 336 Cb 0.63 -0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 64.35 1s4e n SER 336 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1s4e s TRP 337 N 0.00 3.72 -0.72 7.33 0.52 -1.26 -4.93 118.94 123.61 1s4e s TRP 337 Ca 0.10 1.60 -0.25 0.00 0.02 0.00 0.00 56.10 57.57 1s4e s TRP 337 Cb 0.11 -2.97 -0.13 0.00 -1.15 0.00 0.00 33.47 29.33 1s4e s TRP 337 CO -0.05 0.16 2.41 0.36 0.02 0.00 0.00 176.95 179.85 1s4e n LYS 338 N 3.20 0.66 -4.78 4.98 -0.00 -1.26 -4.74 118.16 116.21 1s4e n LYS 338 Ca 0.01 -0.51 -0.33 0.00 -0.00 0.00 0.00 58.31 57.48 1s4e n LYS 338 Cb 0.50 -3.38 -0.13 0.00 -0.00 0.00 0.00 35.03 32.02 1s4e n LYS 338 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s4e s ALA 339 N 12.94 2.76 0.22 0.58 0.00 -1.26 -4.35 121.76 132.65 1s4e s ALA 339 Ca 0.99 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 52.05 1s4e s ALA 339 Cb -0.23 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 21.74 1s4e s ALA 339 CO 0.18 0.50 -0.01 -1.59 0.00 0.00 0.00 175.76 174.85 1s4e s LYS 340 N -0.55 1.30 0.04 0.00 0.00 -1.17 -5.01 119.74 114.36 1s4e s LYS 340 Ca 0.08 -1.65 0.03 0.00 0.00 0.00 0.00 55.97 54.43 1s4e s LYS 340 Cb -0.12 -0.58 -0.02 0.00 0.00 0.00 0.00 37.83 37.11 1s4e s LYS 340 CO 0.02 -0.09 -0.10 1.52 0.00 0.00 0.00 175.35 176.69 1s4e s TYR 341 N -3.44 0.85 -0.09 1.78 -0.85 -1.26 -1.09 117.35 113.24 1s4e s TYR 341 Ca 0.28 -0.42 -0.00 0.00 -0.52 0.00 0.00 57.07 56.40 1s4e s TYR 341 Cb 0.06 -0.50 0.02 0.00 0.38 0.00 0.00 41.96 41.92 1s4e s TYR 341 CO 0.08 -0.03 -0.05 -0.06 -1.52 0.00 0.00 175.55 173.97 1s4e s PHE 342 N -1.13 1.16 -0.05 -3.49 0.40 -0.99 -4.99 117.98 108.88 1s4e s PHE 342 Ca -0.05 -0.50 -0.30 0.00 -0.60 0.00 0.00 56.93 55.48 1s4e s PHE 342 Cb -0.09 -1.04 -0.03 0.00 0.51 0.00 0.00 43.02 42.37 1s4e s PHE 342 CO 0.01 -0.42 1.18 0.08 0.70 0.00 0.00 175.22 176.78 1s4e s VAL 343 N 1.68 4.29 0.01 -0.44 1.01 -1.26 -2.32 120.40 123.37 1s4e s VAL 343 Ca 0.03 1.61 0.03 0.00 0.00 0.00 0.00 61.98 63.65 1s4e s VAL 343 Cb -0.13 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 1s4e s VAL 343 CO -0.06 0.01 -0.10 0.54 0.00 0.00 0.00 175.10 175.49 1s4e s VAL 344 N 2.14 0.75 -0.06 2.92 0.11 -0.93 -5.03 120.40 120.30 1s4e s VAL 344 Ca 0.55 -0.62 0.05 0.00 -2.93 0.00 0.00 61.98 59.03 1s4e s VAL 344 Cb -0.24 -0.67 -0.02 0.00 -1.53 0.00 0.00 36.38 33.92 1s4e s VAL 344 CO 0.22 0.06 -0.20 -0.54 -3.33 0.00 0.00 175.10 171.30 1s4e s LYS 345 N -0.64 2.55 0.72 1.54 1.02 -1.26 -3.61 119.74 120.06 1s4e s LYS 345 Ca 0.01 -0.81 -0.16 0.00 0.02 0.00 0.00 55.97 55.03 1s4e s LYS 345 Cb -0.05 -2.27 -0.01 0.00 -0.52 0.00 0.00 37.83 34.98 1s4e s LYS 345 CO 0.00 0.48 0.85 -2.30 -0.92 0.00 0.00 175.35 173.46 1s4e n PRO 346 N 2.70 0.46 -3.71 -1.68 -0.02 -1.26 -2.73 135.00 128.76 1s4e n PRO 346 Ca -0.17 0.21 -0.11 0.00 -2.02 0.00 0.00 63.50 61.40 1s4e n PRO 346 Cb 0.52 -2.11 -0.06 0.00 -0.02 0.00 0.00 33.50 31.82 1s4e n PRO 346 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1s4e s SER 347 N -1.58 -0.18 0.77 2.55 0.15 0.13 -4.45 113.70 111.08 1s4e s SER 347 Ca 0.71 -0.19 -0.14 0.00 0.70 0.00 0.00 55.95 57.03 1s4e s SER 347 Cb -0.35 0.40 0.06 0.00 -1.71 0.00 0.00 66.02 64.43 1s4e s SER 347 CO 0.52 -0.69 1.20 -1.81 1.20 0.00 0.00 173.24 173.66 1s4e s ASP 348 N -2.26 3.91 0.89 5.45 1.01 -1.26 -1.90 116.67 122.51 1s4e s ASP 348 Ca -0.03 2.33 -0.06 0.00 0.71 0.00 0.00 52.55 55.50 1s4e s ASP 348 Cb 0.00 -2.59 0.11 0.00 1.01 0.00 0.00 42.92 41.45 1s4e s ASP 348 CO -0.05 -2.45 0.64 0.61 0.21 0.00 0.00 175.17 174.12 1s4e n GLY 349 N 0.36 -0.81 0.00 0.21 0.00 0.24 -4.70 105.19 100.50 1s4e n GLY 349 Ca 0.13 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1s4e n GLY 349 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65