#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4e s LYS 3 N 0.00 3.99 0.13 4.33 2.20 -1.26 -4.55 119.74 124.58 1s4e s LYS 3 Ca 0.00 -0.31 0.08 0.00 -0.36 0.00 0.00 55.97 55.38 1s4e s LYS 3 Cb 0.00 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 1s4e s LYS 3 CO 0.00 -0.08 -0.11 0.96 -0.36 0.00 0.00 175.35 175.76 1s4e s ILE 4 N 1.45 3.24 -0.20 5.43 -4.36 -0.95 -4.92 121.20 120.89 1s4e s ILE 4 Ca 0.07 -1.41 0.01 0.00 -0.26 0.00 0.00 60.65 59.06 1s4e s ILE 4 Cb -0.15 -2.53 0.04 0.00 1.25 0.00 0.00 42.46 41.07 1s4e s ILE 4 CO 0.08 0.05 -0.12 -0.89 0.24 0.00 0.00 174.94 174.30 1s4e s THR 5 N -1.33 1.77 -0.14 8.37 2.01 -1.26 -1.88 115.64 123.19 1s4e s THR 5 Ca 0.22 -1.06 -0.03 0.00 0.31 0.00 0.00 61.69 61.12 1s4e s THR 5 Cb -0.10 -1.80 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 1s4e s THR 5 CO 0.14 0.22 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.57 1s4e s VAL 6 N 1.34 4.04 -0.15 3.82 1.01 -0.71 -4.99 120.40 124.76 1s4e s VAL 6 Ca -0.01 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 1s4e s VAL 6 Cb -0.16 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1s4e s VAL 6 CO -0.09 0.52 0.04 -0.54 0.00 0.00 0.00 175.10 175.03 1s4e s LYS 7 N 0.00 3.68 -0.22 2.72 1.02 -1.26 -1.63 119.74 124.06 1s4e s LYS 7 Ca 0.01 -0.37 -0.02 0.00 0.02 0.00 0.00 55.97 55.62 1s4e s LYS 7 Cb -0.13 -3.07 0.06 0.00 -0.52 0.00 0.00 37.83 34.17 1s4e s LYS 7 CO 0.02 0.40 0.01 0.45 -0.92 0.00 0.00 175.35 175.32 1s4e s SER 8 N -0.00 3.31 0.70 2.83 0.15 0.20 -4.46 113.70 116.43 1s4e s SER 8 Ca 0.05 -1.01 -0.11 0.00 0.70 0.00 0.00 55.95 55.58 1s4e s SER 8 Cb -0.12 -0.80 0.01 0.00 -1.71 0.00 0.00 66.02 63.40 1s4e s SER 8 CO 0.01 -0.29 1.06 -2.16 1.20 0.00 0.00 173.24 173.06 1s4e s PRO 9 N 1.69 2.88 0.00 5.44 0.04 -1.26 -1.38 135.00 142.41 1s4e s PRO 9 Ca -0.01 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1s4e s PRO 9 Cb -0.18 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1s4e s PRO 9 CO -0.09 -1.15 0.00 0.41 0.04 0.00 0.00 177.00 176.21 1s4e n GLY 10 N -1.90 -0.01 3.42 0.56 0.00 -0.89 -4.39 105.19 101.98 1s4e n GLY 10 Ca 0.08 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.21 1.26 0.06 1.61 1.04 -0.63 -1.35 118.95 120.72 1s4e s ARG 11 Ca 0.00 -0.47 0.02 0.00 -1.04 0.00 0.00 55.73 54.24 1s4e s ARG 11 Cb 0.00 0.58 -0.03 0.00 -2.04 0.00 0.00 34.95 33.46 1s4e s ARG 11 CO 0.00 -0.55 -0.07 0.08 -0.04 0.00 0.00 175.30 174.72 1s4e s VAL 12 N -3.71 0.57 -0.17 4.99 1.01 -1.26 -4.43 120.40 117.39 1s4e s VAL 12 Ca 0.01 -1.38 -0.05 0.00 0.00 0.00 0.00 61.98 60.56 1s4e s VAL 12 Cb -0.01 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 1s4e s VAL 12 CO -0.13 -0.57 -0.01 0.21 0.00 0.00 0.00 175.10 174.60 1s4e s ASN 13 N -2.11 4.96 -0.02 3.32 2.47 -1.26 -4.49 114.94 117.81 1s4e s ASN 13 Ca -0.02 -0.11 -0.22 0.00 0.42 0.00 0.00 52.86 52.93 1s4e s ASN 13 Cb -0.04 -1.83 -0.24 0.00 -1.45 0.00 0.00 41.25 37.69 1s4e s ASN 13 CO -0.02 0.15 1.06 0.25 -3.72 0.00 0.00 177.10 174.82 1s4e h LEU 14 N 6.87 0.40 -7.23 3.21 5.85 -1.96 -3.45 115.31 119.00 1s4e h LEU 14 Ca -0.33 -0.77 0.09 0.00 0.84 0.00 0.00 57.88 57.70 1s4e h LEU 14 Cb 1.18 -0.12 -0.12 0.00 0.37 0.00 0.00 40.66 41.97 1s4e h LEU 14 CO 0.64 1.12 0.39 -0.51 -0.34 0.00 0.00 178.44 179.74 1s4e s ILE 15 N -3.14 0.00 0.00 4.05 1.10 -1.26 -4.96 121.20 116.99 1s4e s ILE 15 Ca -0.14 -0.23 0.00 0.00 -0.51 0.00 0.00 60.65 59.76 1s4e s ILE 15 Cb 0.02 -1.30 0.00 0.00 0.15 0.00 0.00 42.46 41.33 1s4e s ILE 15 CO 0.79 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 174.23 1s4e n GLY 16 N -0.35 0.70 3.84 1.50 0.00 -1.26 -4.65 105.19 104.97 1s4e n GLY 16 Ca -0.10 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.41 3.94 -1.18 1.61 2.56 -1.26 -4.44 118.70 117.51 1s4e s GLU 17 Ca 0.00 0.43 -0.12 0.00 0.00 0.00 0.00 54.97 55.28 1s4e s GLU 17 Cb 0.00 -3.18 -0.02 0.00 2.00 0.00 0.00 34.13 32.93 1s4e s GLU 17 CO 0.00 0.66 0.76 0.72 -0.56 0.00 0.00 175.26 176.84 1s4e n HIS 18 N 1.64 -1.97 0.00 5.30 8.25 -1.26 -4.89 115.22 122.29 1s4e n HIS 18 Ca -0.12 0.62 0.00 0.00 -0.26 0.00 0.00 57.72 57.96 1s4e n HIS 18 Cb 0.52 -3.78 0.00 0.00 1.12 0.00 0.00 29.99 27.85 1s4e n HIS 18 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1s4e n THR 19 N -4.07 0.00 0.07 1.59 -1.04 -1.26 -4.78 114.28 104.79 1s4e n THR 19 Ca -0.15 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.74 1s4e n THR 19 Cb 0.62 -0.11 -0.03 0.00 -1.82 0.00 0.00 70.33 68.99 1s4e n THR 19 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 1s4e h ASP 20 N 0.00 0.45 0.00 8.00 -0.00 -1.86 -1.28 116.42 121.73 1s4e h ASP 20 Ca 0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 57.03 56.67 1s4e h ASP 20 Cb 0.13 -0.14 0.00 0.00 -0.00 0.00 0.00 39.33 39.32 1s4e h ASP 20 CO 0.00 1.16 0.00 0.00 -0.00 0.00 0.00 179.24 180.40 1s4e n TYR 21 N -3.72 0.00 -1.33 4.15 0.18 -1.26 -1.42 117.16 113.76 1s4e n TYR 21 Ca -0.06 0.00 0.08 0.00 1.88 0.00 0.00 57.90 59.80 1s4e n TYR 21 Cb 0.83 0.00 0.13 0.00 -0.38 0.00 0.00 39.34 39.91 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 -0.80 1.61 -3.26 -3.48 -2.24 -1.07 -4.80 114.28 100.24 1s4e n THR 22 Ca 0.11 -2.06 -0.15 0.00 -2.27 0.00 0.00 64.05 59.68 1s4e n THR 22 Cb 0.05 -0.09 0.08 0.00 -2.10 0.00 0.00 70.33 68.27 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 -1.12 -1.93 -2.61 4.78 4.02 -0.50 -0.50 117.16 119.30 1s4e n TYR 23 Ca 0.14 0.82 0.00 0.00 -0.01 0.00 0.00 57.90 58.85 1s4e n TYR 23 Cb 0.67 -4.71 0.00 0.00 -0.02 0.00 0.00 39.34 35.29 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 -1.12 4.09 3.89 2.72 0.00 -0.51 -3.91 105.19 110.35 1s4e n GLY 24 Ca -0.25 -2.06 -0.33 0.00 0.00 0.00 0.00 46.02 43.38 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 1.31 3.52 0.00 1.61 1.51 -1.26 -1.47 117.35 122.57 1s4e s TYR 25 Ca 0.00 0.53 0.00 0.00 -1.01 0.00 0.00 57.07 56.59 1s4e s TYR 25 Cb 0.00 -1.97 0.00 0.00 -0.11 0.00 0.00 41.96 39.88 1s4e s TYR 25 CO 0.00 0.52 0.00 1.55 -1.11 0.00 0.00 175.55 176.51 1s4e n VAL 26 N 0.51 0.00 -2.03 0.71 3.14 -0.38 -4.48 118.33 115.80 1s4e n VAL 26 Ca -0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 1s4e n VAL 26 Cb 0.52 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.30 1s4e n VAL 26 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1s4e n PRO 28 N 0.00 0.00 -4.38 1.45 -0.04 -1.15 -0.88 135.00 130.00 1s4e n PRO 28 Ca 0.00 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 1s4e n PRO 28 Cb 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.36 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 0.27 0.55 0.00 -1.26 -0.71 121.76 122.74 1s4e s ALA 30 Ca 0.00 -0.99 0.10 0.00 0.00 0.00 0.00 51.96 51.07 1s4e s ALA 30 Cb 0.00 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 1s4e s ALA 30 CO 0.00 0.63 -0.05 0.96 0.00 0.00 0.00 175.76 177.30 1s4e s ILE 31 N -1.04 3.22 -0.38 0.00 -4.36 -0.46 -1.30 121.20 116.89 1s4e s ILE 31 Ca 0.18 -2.03 -0.04 0.00 -0.26 0.00 0.00 60.65 58.51 1s4e s ILE 31 Cb -0.11 -2.72 0.02 0.00 1.25 0.00 0.00 42.46 40.91 1s4e s ILE 31 CO 0.09 -0.38 2.84 -0.90 0.24 0.00 0.00 174.94 176.83 1s4e n ASP 32 N -0.82 6.29 -4.12 4.36 5.75 -1.17 -4.02 116.55 122.83 1s4e n ASP 32 Ca -0.06 -3.09 -0.26 0.00 -0.01 0.00 0.00 54.79 51.37 1s4e n ASP 32 Cb 0.59 -1.25 -0.16 0.00 -1.03 0.00 0.00 41.12 39.27 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 -1.84 1.88 0.20 -2.12 1.43 -1.26 -4.92 118.68 112.05 1s4e s LEU 33 Ca 0.58 -0.35 0.07 0.00 -1.03 0.00 0.00 54.13 53.41 1s4e s LEU 33 Cb 0.36 -0.95 -0.05 0.00 0.03 0.00 0.00 46.19 45.58 1s4e s LEU 33 CO -0.18 0.13 -0.13 -0.31 0.23 0.00 0.00 176.35 176.09 1s4e s TYR 34 N 0.15 1.68 -0.20 0.29 1.51 -1.26 -2.09 117.35 117.43 1s4e s TYR 34 Ca -0.06 -0.60 -0.09 0.00 -1.01 0.00 0.00 57.07 55.31 1s4e s TYR 34 Cb -0.12 -0.80 -0.05 0.00 -0.11 0.00 0.00 41.96 40.88 1s4e s TYR 34 CO 0.03 0.33 0.11 0.99 -1.11 0.00 0.00 175.55 175.89 1s4e s THR 35 N -3.01 5.18 -0.15 -0.71 2.01 -0.48 -1.86 115.64 116.62 1s4e s THR 35 Ca 0.22 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.35 1s4e s THR 35 Cb -0.00 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.14 1s4e s THR 35 CO 0.06 0.43 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.62 1s4e s ILE 36 N 0.50 2.46 -0.15 1.82 1.01 -0.53 -0.62 121.20 125.70 1s4e s ILE 36 Ca 0.06 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.89 1s4e s ILE 36 Cb -0.12 -2.02 0.01 0.00 0.01 0.00 0.00 42.46 40.34 1s4e s ILE 36 CO -0.00 0.53 -0.20 -0.63 0.00 0.00 0.00 174.94 174.64 1s4e s ILE 37 N 0.76 2.21 -0.16 2.92 1.01 -0.64 -0.74 121.20 126.56 1s4e s ILE 37 Ca -0.07 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.65 1s4e s ILE 37 Cb -0.16 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 1s4e s ILE 37 CO 0.00 0.54 -0.13 -0.89 0.00 0.00 0.00 174.94 174.47 1s4e s THR 38 N 0.84 2.93 -0.05 2.92 2.01 -0.73 -1.74 115.64 121.81 1s4e s THR 38 Ca -0.06 -0.68 -0.31 0.00 0.31 0.00 0.00 61.69 60.95 1s4e s THR 38 Cb -0.15 -2.25 0.07 0.00 0.01 0.00 0.00 72.50 70.18 1s4e s THR 38 CO -0.02 0.50 0.69 0.00 -0.69 0.00 0.00 174.62 175.10 1s4e s ALA 39 N 0.74 -1.77 0.44 7.40 0.00 -0.79 -1.59 121.76 126.19 1s4e s ALA 39 Ca -0.05 1.32 0.06 0.00 0.00 0.00 0.00 51.96 53.29 1s4e s ALA 39 Cb -0.15 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 1s4e s ALA 39 CO 0.01 -0.37 0.08 -1.83 0.00 0.00 0.00 175.76 173.65 1s4e s GLU 40 N -1.20 2.10 0.52 0.00 1.03 -0.55 -2.23 118.70 118.37 1s4e s GLU 40 Ca -0.11 -2.09 -0.21 0.00 0.03 0.00 0.00 54.97 52.59 1s4e s GLU 40 Cb -0.00 -1.74 -0.06 0.00 -0.80 0.00 0.00 34.13 31.53 1s4e s GLU 40 CO 0.10 -0.16 1.20 0.15 -1.33 0.00 0.00 175.26 175.21 1s4e s LYS 41 N -3.83 3.42 0.00 -4.83 -0.14 -1.26 -1.44 119.74 111.66 1s4e s LYS 41 Ca 0.31 1.83 0.00 0.00 -1.36 0.00 0.00 55.97 56.75 1s4e s LYS 41 Cb 0.06 -2.21 0.00 0.00 -1.68 0.00 0.00 37.83 34.00 1s4e s LYS 41 CO 0.16 -0.85 0.00 0.98 -0.76 0.00 0.00 175.35 174.89 1s4e n TYR 42 N -0.96 0.00 -0.07 3.18 -0.00 -1.20 -4.61 117.16 113.49 1s4e n TYR 42 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.00 1s4e n TYR 42 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.82 1s4e n TYR 42 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 1s4e n LYS 44 N 0.00 0.00 -4.61 2.98 -0.00 -1.26 -3.46 118.16 111.81 1s4e n LYS 44 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.00 1s4e n LYS 44 Cb 0.00 -0.07 -0.17 0.00 -0.00 0.00 0.00 35.03 34.79 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 -0.63 1.82 -0.27 0.58 1.01 0.01 -1.96 120.40 120.98 1s4e s VAL 45 Ca 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 1s4e s VAL 45 Cb 0.00 -1.63 0.10 0.00 0.00 0.00 0.00 36.38 34.85 1s4e s VAL 45 CO 0.00 0.50 0.14 -1.58 0.00 0.00 0.00 175.10 174.17 1s4e s GLN 46 N 0.86 0.19 -0.07 2.72 -0.44 -0.38 -0.96 119.66 121.57 1s4e s GLN 46 Ca -0.08 -0.40 0.02 0.00 -2.50 0.00 0.00 55.36 52.40 1s4e s GLN 46 Cb -0.15 -1.20 0.01 0.00 -1.64 0.00 0.00 33.01 30.03 1s4e s GLN 46 CO -0.01 -0.96 -0.13 -0.51 0.50 0.00 0.00 175.29 174.18 1s4e s LEU 47 N 2.14 1.66 -0.13 3.68 1.43 -1.12 -1.22 118.68 125.12 1s4e s LEU 47 Ca 0.08 -0.33 -0.18 0.00 -1.03 0.00 0.00 54.13 52.67 1s4e s LEU 47 Cb -0.16 -0.89 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 1s4e s LEU 47 CO -0.32 0.03 0.47 -0.47 0.23 0.00 0.00 176.35 176.29 1s4e s TYR 48 N 0.72 3.49 -0.29 0.29 5.04 -0.76 -1.97 117.35 123.86 1s4e s TYR 48 Ca -0.13 0.85 -0.09 0.00 -2.44 0.00 0.00 57.07 55.26 1s4e s TYR 48 Cb -0.16 -2.55 -0.01 0.00 0.35 0.00 0.00 41.96 39.59 1s4e s TYR 48 CO 0.03 0.14 0.13 0.45 -1.34 0.00 0.00 175.55 174.96 1s4e s SER 49 N 0.69 5.44 0.40 4.32 0.15 -0.85 -0.86 113.70 122.98 1s4e s SER 49 Ca 0.25 -0.44 0.08 0.00 0.70 0.00 0.00 55.95 56.54 1s4e s SER 49 Cb -0.15 -1.98 0.82 0.00 -1.71 0.00 0.00 66.02 63.00 1s4e s SER 49 CO 0.10 -0.15 1.99 -0.08 1.20 0.00 0.00 173.24 176.30 1s4e h GLU 50 N 8.31 0.42 0.30 5.44 4.81 -1.66 0.15 114.58 132.36 1s4e h GLU 50 Ca -0.34 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.82 1s4e h GLU 50 Cb 1.15 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1s4e h GLU 50 CO 0.60 0.38 -0.14 1.25 -0.73 0.00 0.00 179.01 180.37 1s4e h HIS 51 N 0.42 -0.37 0.00 0.92 2.76 -1.94 -3.10 115.15 113.84 1s4e h HIS 51 Ca 0.10 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 1s4e h HIS 51 Cb 0.13 0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.22 1s4e h HIS 51 CO 0.00 -0.12 -0.23 1.19 -1.30 0.00 0.00 177.93 177.47 1s4e n PHE 52 N -5.19 0.39 -3.44 5.26 3.01 -1.19 -4.96 117.46 111.35 1s4e n PHE 52 Ca -0.10 0.11 -0.20 0.00 1.01 0.00 0.00 57.45 58.27 1s4e n PHE 52 Cb 0.23 -0.62 0.07 0.00 -0.01 0.00 0.00 39.48 39.15 1s4e n PHE 52 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1s4e n ASN 53 N -1.86 -5.15 -3.83 4.37 5.15 0.51 -5.03 115.26 109.42 1s4e n ASN 53 Ca 0.05 -0.49 -0.14 0.00 -0.60 0.00 0.00 54.58 53.40 1s4e n ASN 53 Cb 0.39 -4.55 -0.15 0.00 -0.53 0.00 0.00 39.78 34.93 1s4e n ASN 53 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1s4e s GLU 54 N -5.98 0.07 -0.02 1.20 2.02 -1.13 -4.97 118.70 109.89 1s4e s GLU 54 Ca 0.42 0.06 -0.30 0.00 0.02 0.00 0.00 54.97 55.18 1s4e s GLU 54 Cb -0.19 -0.21 -0.03 0.00 0.10 0.00 0.00 34.13 33.81 1s4e s GLU 54 CO 0.65 -0.07 1.00 -1.83 0.02 0.00 0.00 175.26 175.02 1s4e s GLU 55 N 0.55 4.52 -0.07 1.61 4.04 -1.26 -2.01 118.70 126.08 1s4e s GLU 55 Ca -0.05 1.43 0.03 0.00 0.04 0.00 0.00 54.97 56.42 1s4e s GLU 55 Cb -0.07 -3.47 0.01 0.00 0.02 0.00 0.00 34.13 30.61 1s4e s GLU 55 CO -0.01 -0.12 -0.16 0.15 -1.84 0.00 0.00 175.26 173.27 1s4e s LYS 56 N 1.25 2.10 0.40 -4.83 1.02 -0.83 -4.99 119.74 113.86 1s4e s LYS 56 Ca 0.52 -0.56 0.08 0.00 0.02 0.00 0.00 55.97 56.02 1s4e s LYS 56 Cb -0.21 -1.68 -0.04 0.00 -0.52 0.00 0.00 37.83 35.39 1s4e s LYS 56 CO 0.26 0.09 0.27 0.95 -0.92 0.00 0.00 175.35 175.99 1s4e s THR 57 N 0.52 2.69 -0.29 2.17 -4.23 -1.26 -2.78 115.64 112.46 1s4e s THR 57 Ca -0.15 -1.52 -0.24 0.00 -1.18 0.00 0.00 61.69 58.60 1s4e s THR 57 Cb -0.16 -3.01 0.16 0.00 1.34 0.00 0.00 72.50 70.83 1s4e s THR 57 CO 0.05 -0.05 1.24 0.72 -0.54 0.00 0.00 174.62 176.05 1s4e s PHE 58 N -2.49 -0.25 0.47 3.99 -0.12 -0.13 -4.97 117.98 114.47 1s4e s PHE 58 Ca 0.43 0.59 -0.15 0.00 -0.05 0.00 0.00 56.93 57.76 1s4e s PHE 58 Cb -0.01 0.40 -0.08 0.00 -0.63 0.00 0.00 43.02 42.70 1s4e s PHE 58 CO 0.25 -0.12 0.90 0.95 -0.05 0.00 0.00 175.22 177.16 1s4e s THR 59 N 0.27 4.61 -1.60 -4.49 -4.23 -1.26 -0.81 115.64 108.14 1s4e s THR 59 Ca 0.04 1.03 0.17 0.00 -1.18 0.00 0.00 61.69 61.74 1s4e s THR 59 Cb -0.05 -3.71 0.34 0.00 1.34 0.00 0.00 72.50 70.42 1s4e s THR 59 CO -0.12 -0.60 1.46 0.18 -0.54 0.00 0.00 174.62 175.00 1s4e n LEU 60 N -1.40 0.00 -0.96 4.79 4.32 -1.26 -0.95 117.00 121.54 1s4e n LEU 60 Ca 0.05 0.20 0.09 0.00 -0.02 0.00 0.00 56.01 56.33 1s4e n LEU 60 Cb 0.54 -0.20 0.22 0.00 -1.62 0.00 0.00 43.42 42.36 1s4e n LEU 60 CO 0.46 -0.09 0.68 -0.90 -1.22 0.00 0.00 177.39 176.32 1s4e n ASP 61 N -1.20 3.32 -3.34 -1.43 5.75 -1.26 -4.60 116.55 113.79 1s4e n ASP 61 Ca 0.09 -1.97 -0.26 0.00 -0.01 0.00 0.00 54.79 52.64 1s4e n ASP 61 Cb 0.11 -0.32 -0.07 0.00 -1.03 0.00 0.00 41.12 39.81 1s4e n ASP 61 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1s4e n ASN 62 N 1.07 3.07 -4.64 -1.12 4.13 -0.13 -5.21 115.26 112.43 1s4e n ASN 62 Ca 0.17 -3.31 -0.39 0.00 1.68 0.00 0.00 54.58 52.73 1s4e n ASN 62 Cb 0.51 -0.66 -0.08 0.00 -1.54 0.00 0.00 39.78 38.02 1s4e n ASN 62 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1s4e s LEU 63 N -2.29 4.10 -0.15 3.41 1.43 -1.26 -4.63 118.68 119.30 1s4e s LEU 63 Ca 0.40 0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 53.93 1s4e s LEU 63 Cb 0.16 -2.54 0.07 0.00 0.03 0.00 0.00 46.19 43.91 1s4e s LEU 63 CO -0.04 -0.16 0.27 -0.54 0.23 0.00 0.00 176.35 176.12 1s4e s LYS 65 N 1.73 0.17 0.00 1.70 1.02 -1.26 -5.06 119.74 118.04 1s4e s LYS 65 Ca 0.19 0.71 0.04 0.00 0.02 0.00 0.00 55.97 56.93 1s4e s LYS 65 Cb -0.15 -0.14 -0.03 0.00 -0.52 0.00 0.00 37.83 36.99 1s4e s LYS 65 CO 0.09 -0.33 0.28 0.39 -0.92 0.00 0.00 175.35 174.85 1s4e n GLU 66 N 5.35 4.36 -2.37 1.68 4.71 -1.26 -5.04 120.64 128.08 1s4e n GLU 66 Ca -0.06 -0.16 -0.04 0.00 -0.01 0.00 0.00 57.16 56.89 1s4e n GLU 66 Cb 0.50 -0.78 0.02 0.00 -1.01 0.00 0.00 31.44 30.16 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 0.93 0.34 2.36 0.62 0.00 -1.26 -5.06 105.19 103.11 1s4e n GLY 67 Ca 0.01 -0.38 -0.06 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.10 -1.39 0.29 1.61 3.41 -1.26 -5.04 113.62 110.13 1s4e n SER 68 Ca -0.05 -2.04 0.16 0.00 -0.26 0.00 0.00 58.87 56.69 1s4e n SER 68 Cb 0.53 2.34 0.84 0.00 -0.26 0.00 0.00 64.21 67.66 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 1.63 0.00 0.00 7.33 5.08 -2.04 -1.38 115.95 126.57 1s4e h TRP 69 Ca -0.21 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.74 1s4e h TRP 69 Cb 0.78 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.94 1s4e h TRP 69 CO 0.00 0.06 -0.09 0.97 -1.28 0.00 0.00 178.44 178.10 1s4e h ILE 70 N 0.00 0.63 -0.95 0.12 6.09 -1.98 -2.29 117.51 119.14 1s4e h ILE 70 Ca -0.00 -0.36 0.19 0.00 -1.37 0.00 0.00 64.86 63.32 1s4e h ILE 70 Cb 0.29 1.23 -0.08 0.00 0.47 0.00 0.00 36.82 38.73 1s4e h ILE 70 CO 0.01 0.09 0.61 0.44 -3.07 0.00 0.00 178.15 176.22 1s4e h ASP 71 N 0.00 0.58 -0.27 2.19 3.32 -1.66 0.34 116.42 120.92 1s4e h ASP 71 Ca -0.00 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.14 1s4e h ASP 71 Cb 0.22 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1s4e h ASP 71 CO 0.01 0.23 0.10 1.88 -1.72 0.00 0.00 179.24 179.74 1s4e h TYR 72 N 0.58 0.18 -0.51 4.55 -1.99 -1.62 -0.02 116.97 118.13 1s4e h TYR 72 Ca 0.51 0.01 -0.05 0.00 2.00 0.00 0.00 58.73 61.20 1s4e h TYR 72 Cb 1.02 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 39.69 1s4e h TYR 72 CO -0.00 0.08 0.11 0.28 -0.00 0.00 0.00 178.16 178.63 1s4e h VAL 73 N 0.22 1.24 -0.23 -2.88 2.07 -0.89 -3.05 116.25 112.74 1s4e h VAL 73 Ca 0.12 -0.87 0.03 0.00 0.82 0.00 0.00 66.70 66.79 1s4e h VAL 73 Cb 0.08 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1s4e h VAL 73 CO -0.12 0.32 0.06 0.11 0.02 0.00 0.00 177.57 177.96 1s4e h LYS 74 N 0.71 0.15 0.00 1.57 1.57 -0.16 -2.81 116.57 117.59 1s4e h LYS 74 Ca 0.16 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1s4e h LYS 74 Cb 0.35 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1s4e h LYS 74 CO 0.00 0.10 -0.07 0.78 -0.57 0.00 0.00 179.45 179.69 1s4e h GLY 75 N 0.15 0.00 0.72 3.86 0.00 -0.95 0.54 103.07 107.39 1s4e h GLY 75 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.32 1s4e h GLY 75 CO -0.12 0.00 -0.40 -2.08 0.00 0.00 0.00 176.54 173.93 1s4e h VAL 76 N 0.00 1.43 -0.65 4.60 2.07 -1.40 -1.91 116.25 120.39 1s4e h VAL 76 Ca -0.00 -1.84 -0.04 0.00 0.82 0.00 0.00 66.70 65.64 1s4e h VAL 76 Cb 0.13 2.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.27 1s4e h VAL 76 CO 0.01 0.53 0.23 -0.07 0.02 0.00 0.00 177.57 178.29 1s4e h LEU 77 N -0.13 0.93 -0.48 2.57 4.07 -1.20 -2.25 115.31 118.82 1s4e h LEU 77 Ca -0.03 -0.19 0.06 0.00 0.08 0.00 0.00 57.88 57.79 1s4e h LEU 77 Cb 1.08 -0.24 -0.05 0.00 1.08 0.00 0.00 40.66 42.52 1s4e h LEU 77 CO 0.08 0.87 0.20 -0.25 -1.08 0.00 0.00 178.44 178.26 1s4e h TRP 78 N 0.94 0.36 -0.41 1.13 7.01 -0.94 -2.04 115.95 122.00 1s4e h TRP 78 Ca 0.21 0.02 -0.15 0.00 2.11 0.00 0.00 58.89 61.09 1s4e h TRP 78 Cb 0.25 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.21 1s4e h TRP 78 CO 0.02 0.15 -0.33 -0.24 -2.79 0.00 0.00 178.44 175.24 1s4e h VAL 79 N 0.40 1.27 -0.57 2.65 3.04 -1.09 -1.99 116.25 119.96 1s4e h VAL 79 Ca 0.22 -1.50 -0.03 0.00 -1.01 0.00 0.00 66.70 64.38 1s4e h VAL 79 Cb 0.20 1.30 -0.03 0.00 -2.01 0.00 0.00 31.29 30.75 1s4e h VAL 79 CO -0.20 0.51 0.23 -0.07 -1.01 0.00 0.00 177.57 177.02 1s4e h LEU 80 N 0.78 0.78 -0.68 3.16 3.38 -1.16 -2.26 115.31 119.32 1s4e h LEU 80 Ca 0.08 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1s4e h LEU 80 Cb 0.92 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1s4e h LEU 80 CO 0.09 0.74 0.22 0.40 0.09 0.00 0.00 178.44 179.98 1s4e h ILE 81 N 0.78 1.25 -0.48 1.22 2.04 -1.26 -2.19 117.51 118.87 1s4e h ILE 81 Ca 0.19 -0.85 0.03 0.00 1.00 0.00 0.00 64.86 65.23 1s4e h ILE 81 Cb 0.20 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 1s4e h ILE 81 CO -0.02 0.33 0.27 1.56 0.00 0.00 0.00 178.15 180.29 1s4e h GLN 82 N 0.98 0.51 0.00 2.37 1.08 -1.18 -2.67 115.11 116.20 1s4e h GLN 82 Ca 0.22 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1s4e h GLN 82 Cb 0.28 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 1s4e h GLN 82 CO -0.01 0.34 0.00 0.39 -0.95 0.00 0.00 178.83 178.60 1s4e n GLU 83 N -4.85 0.03 -0.10 1.46 -0.58 -0.87 -4.86 120.64 110.88 1s4e n GLU 83 Ca 0.03 0.38 0.00 0.00 -0.42 0.00 0.00 57.16 57.16 1s4e n GLU 83 Cb 0.09 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 1s4e n GLU 83 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s4e n GLY 84 N -0.63 0.95 3.74 0.62 0.00 -1.01 -5.07 105.19 103.80 1s4e n GLY 84 Ca 0.02 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1s4e n GLY 84 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s4e s TYR 85 N -2.00 3.81 -0.64 1.61 1.51 -0.85 -5.01 117.35 115.79 1s4e s TYR 85 Ca 0.00 1.80 -0.22 0.00 -1.01 0.00 0.00 57.07 57.63 1s4e s TYR 85 Cb 0.00 -3.10 0.07 0.00 -0.11 0.00 0.00 41.96 38.82 1s4e s TYR 85 CO 0.00 0.06 0.93 0.15 -1.11 0.00 0.00 175.55 175.58 1s4e s LYS 86 N -0.69 3.12 0.47 -0.62 3.01 -1.26 -4.45 119.74 119.32 1s4e s LYS 86 Ca 0.45 -0.82 0.02 0.00 -1.01 0.00 0.00 55.97 54.61 1s4e s LYS 86 Cb -0.27 -4.21 -0.02 0.00 -1.01 0.00 0.00 37.83 32.32 1s4e s LYS 86 CO 0.33 -1.75 0.05 0.96 0.51 0.00 0.00 175.35 175.45 1s4e s ILE 87 N 3.90 0.97 0.00 2.17 -4.36 -1.26 -4.95 121.20 117.67 1s4e s ILE 87 Ca 0.22 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 1s4e s ILE 87 Cb -0.17 -2.25 0.00 0.00 1.25 0.00 0.00 42.46 41.29 1s4e s ILE 87 CO 0.11 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.90 1s4e n GLY 88 N -1.13 5.62 0.50 6.27 0.00 -1.26 -5.14 105.19 110.05 1s4e n GLY 88 Ca -0.14 -1.51 -0.03 0.00 0.00 0.00 0.00 46.02 44.34 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 0.84 -0.24 3.40 -0.02 0.00 -1.22 -4.96 105.19 102.98 1s4e n GLY 89 Ca 0.00 -1.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.08 -0.06 0.99 0.05 -0.83 -3.28 118.68 115.48 1s4e s LEU 90 Ca 0.09 0.21 0.05 0.00 0.05 0.00 0.00 54.13 54.53 1s4e s LEU 90 Cb -0.00 2.12 -0.00 0.00 -2.05 0.00 0.00 46.19 46.25 1s4e s LEU 90 CO 0.06 -0.70 -0.21 -0.54 -0.55 0.00 0.00 176.35 174.41 1s4e s LYS 91 N -2.30 2.31 0.00 1.48 -0.14 -0.52 -1.25 119.74 119.32 1s4e s LYS 91 Ca -0.06 -0.76 0.00 0.00 -1.36 0.00 0.00 55.97 53.78 1s4e s LYS 91 Cb -0.01 -1.92 0.00 0.00 -1.68 0.00 0.00 37.83 34.22 1s4e s LYS 91 CO -0.01 0.27 0.00 0.41 -0.76 0.00 0.00 175.35 175.27 1s4e n GLY 92 N 3.17 -0.68 3.01 -3.33 0.00 -0.35 -1.49 105.19 105.52 1s4e n GLY 92 Ca -0.18 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.62 0.46 -0.19 1.61 0.00 -0.62 -1.83 119.74 118.55 1s4e s LYS 93 Ca 0.00 -0.48 0.01 0.00 0.00 0.00 0.00 55.97 55.50 1s4e s LYS 93 Cb 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 37.83 37.53 1s4e s LYS 93 CO 0.00 0.07 -0.18 0.42 0.00 0.00 0.00 175.35 175.66 1s4e s ILE 94 N -0.79 2.12 0.20 3.79 1.01 -0.04 -1.78 121.20 125.71 1s4e s ILE 94 Ca -0.05 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.62 1s4e s ILE 94 Cb -0.06 -1.93 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 1s4e s ILE 94 CO 0.00 0.47 0.06 0.35 0.00 0.00 0.00 174.94 175.82 1s4e n THR 95 N 4.61 0.00 0.00 2.92 -2.24 0.08 -1.68 114.28 117.97 1s4e n THR 95 Ca -0.20 -1.11 0.00 0.00 -2.27 0.00 0.00 64.05 60.47 1s4e n THR 95 Cb 0.49 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 1s4e n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s4e n GLY 96 N 1.09 3.14 0.25 3.38 0.00 -1.26 -1.45 105.19 110.34 1s4e n GLY 96 Ca -0.04 -1.68 -0.12 0.00 0.00 0.00 0.00 46.02 44.18 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 0.87 -2.63 1.61 3.32 -1.74 -3.47 116.42 114.37 1s4e h ASP 97 Ca 0.00 -0.40 -0.56 0.00 0.02 0.00 0.00 57.03 56.10 1s4e h ASP 97 Cb 0.00 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1s4e h ASP 97 CO 0.00 1.07 1.12 -0.22 -1.72 0.00 0.00 179.24 179.49 1s4e s LEU 98 N -9.14 4.14 0.47 1.55 2.96 -0.93 -4.83 118.68 112.89 1s4e s LEU 98 Ca -0.12 2.01 -0.22 0.00 -0.22 0.00 0.00 54.13 55.58 1s4e s LEU 98 Cb 0.11 -3.53 -0.10 0.00 0.50 0.00 0.00 46.19 43.17 1s4e s LEU 98 CO 0.84 -1.09 0.88 -2.65 -1.32 0.00 0.00 176.35 173.01 1s4e n PRO 99 N 7.39 1.06 -4.15 0.98 -0.02 -1.26 -4.97 135.00 134.03 1s4e n PRO 99 Ca 0.18 0.39 -0.33 0.00 -2.02 0.00 0.00 63.50 61.72 1s4e n PRO 99 Cb 0.44 -1.94 -0.08 0.00 -0.02 0.00 0.00 33.50 31.90 1s4e n PRO 99 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1s4e s LEU 100 N -0.30 3.80 -1.60 2.45 1.02 -1.26 -4.49 118.68 118.30 1s4e s LEU 100 Ca 0.66 0.12 -0.01 0.00 0.02 0.00 0.00 54.13 54.92 1s4e s LEU 100 Cb -0.53 -2.18 0.00 0.00 0.02 0.00 0.00 46.19 43.50 1s4e s LEU 100 CO 0.55 0.28 0.12 0.61 0.02 0.00 0.00 176.35 177.93 1s4e n GLY 101 N 1.30 -0.50 0.33 -3.19 0.00 -1.26 -4.89 105.19 96.98 1s4e n GLY 101 Ca -0.14 0.03 0.03 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.38 2.24 -0.39 4.61 0.00 -1.26 -4.89 120.51 118.45 1s4e n ALA 102 Ca -0.20 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.35 1s4e n ALA 102 Cb 0.66 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 0.19 0.77 1.20 0.00 0.00 -1.26 -2.54 105.19 103.56 1s4e n GLY 103 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 4.16 -3.04 0.99 4.77 -1.26 -4.75 117.00 117.87 1s4e n LEU 104 Ca 0.00 -2.50 -0.14 0.00 -0.03 0.00 0.00 56.01 53.34 1s4e n LEU 104 Cb 0.00 -0.49 0.07 0.00 -2.33 0.00 0.00 43.42 40.67 1s4e n LEU 104 CO 0.00 0.75 0.07 -0.24 -1.33 0.00 0.00 177.39 176.65 1s4e n SER 105 N 0.56 -3.18 0.28 -1.43 2.88 -1.26 -1.61 113.62 109.85 1s4e n SER 105 Ca 0.21 -0.55 0.12 0.00 -1.33 0.00 0.00 58.87 57.32 1s4e n SER 105 Cb 0.79 -4.44 0.78 0.00 -0.75 0.00 0.00 64.21 60.59 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 -1.41 0.00 0.11 -3.46 4.64 -1.94 -1.37 113.55 110.12 1s4e h SER 106 Ca -0.50 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.82 1s4e h SER 106 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 1s4e h SER 106 CO 0.41 0.00 -0.12 0.77 -0.87 0.00 0.00 176.83 177.02 1s4e h SER 107 N 0.00 -0.32 0.14 4.97 4.64 -1.95 0.61 113.55 121.64 1s4e h SER 107 Ca 0.00 0.03 -0.29 0.00 -0.47 0.00 0.00 61.79 61.06 1s4e h SER 107 Cb 0.01 0.11 0.03 0.00 -0.31 0.00 0.00 62.40 62.24 1s4e h SER 107 CO -0.00 -0.18 -1.21 0.00 -0.87 0.00 0.00 176.83 174.57 1s4e h ALA 108 N 0.61 0.03 -0.61 5.18 0.00 -1.87 -0.78 119.26 121.82 1s4e h ALA 108 Ca 0.01 -0.76 0.13 0.00 0.00 0.00 0.00 54.91 54.28 1s4e h ALA 108 Cb 0.25 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.03 1s4e h ALA 108 CO -0.04 0.70 -0.06 1.03 0.00 0.00 0.00 179.25 180.88 1s4e h SER 109 N 0.29 -0.40 -0.04 0.00 0.87 -1.22 -0.19 113.55 112.86 1s4e h SER 109 Ca -0.18 0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1s4e h SER 109 Cb 1.88 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 64.15 1s4e h SER 109 CO 0.23 -0.15 -0.09 0.15 -0.53 0.00 0.00 176.83 176.44 1s4e h PHE 110 N 0.06 0.17 -0.61 2.24 -0.00 -0.77 -1.03 116.94 117.00 1s4e h PHE 110 Ca 0.31 -0.06 0.03 0.00 -0.00 0.00 0.00 57.97 58.25 1s4e h PHE 110 Cb 0.49 -0.03 -0.04 0.00 -0.00 0.00 0.00 35.95 36.37 1s4e h PHE 110 CO -0.42 0.68 0.37 0.93 -0.00 0.00 0.00 178.31 179.87 1s4e h GLU 111 N -0.39 0.69 0.12 1.11 5.08 -0.87 -0.71 114.58 119.61 1s4e h GLU 111 Ca 0.00 -0.04 -0.27 0.00 -1.00 0.00 0.00 59.36 58.05 1s4e h GLU 111 Cb 0.68 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1s4e h GLU 111 CO 0.02 0.46 -1.26 -0.39 -1.00 0.00 0.00 179.01 176.84 1s4e h VAL 112 N 0.71 1.47 -0.62 3.13 -1.51 -1.08 -2.14 116.25 116.22 1s4e h VAL 112 Ca 0.25 -3.06 0.12 0.00 -1.23 0.00 0.00 66.70 62.78 1s4e h VAL 112 Cb 0.05 2.92 -0.12 0.00 -2.13 0.00 0.00 31.29 32.00 1s4e h VAL 112 CO -0.11 0.89 -0.18 1.23 -1.23 0.00 0.00 177.57 178.17 1s4e h GLY 113 N 1.72 0.39 0.99 5.19 0.00 -0.87 0.12 103.07 110.61 1s4e h GLY 113 Ca -0.14 0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.37 1s4e h GLY 113 CO 0.19 -0.24 0.10 -2.22 0.00 0.00 0.00 176.54 174.38 1s4e h ILE 114 N -0.02 1.25 -0.81 2.60 1.08 -1.10 -1.89 117.51 118.60 1s4e h ILE 114 Ca 0.29 -0.90 -0.03 0.00 -0.39 0.00 0.00 64.86 63.83 1s4e h ILE 114 Cb 0.47 0.85 -0.04 0.00 -3.07 0.00 0.00 36.82 35.04 1s4e h ILE 114 CO -0.65 0.32 0.38 0.25 -0.69 0.00 0.00 178.15 177.77 1s4e h LEU 115 N 0.71 1.06 -0.67 1.44 6.46 -0.63 -2.34 115.31 121.34 1s4e h LEU 115 Ca 0.16 -0.13 -0.14 0.00 -0.12 0.00 0.00 57.88 57.65 1s4e h LEU 115 Cb 0.37 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 1s4e h LEU 115 CO 0.01 0.90 -0.60 -0.08 -0.62 0.00 0.00 178.44 178.04 1s4e h GLU 116 N 1.16 0.21 0.49 1.25 4.57 -0.57 0.33 114.58 122.02 1s4e h GLU 116 Ca 0.28 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 58.29 1s4e h GLU 116 Cb 0.12 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1s4e h GLU 116 CO -0.03 0.75 -0.24 0.28 -1.18 0.00 0.00 179.01 178.59 1s4e h VAL 117 N 0.16 0.48 -0.94 0.32 2.07 -1.10 -1.18 116.25 116.07 1s4e h VAL 117 Ca -0.01 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.33 1s4e h VAL 117 Cb 1.10 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.40 1s4e h VAL 117 CO 0.09 0.04 0.61 -0.07 0.02 0.00 0.00 177.57 178.26 1s4e h LEU 118 N -0.81 0.97 -0.84 2.57 3.38 -1.27 0.32 115.31 119.63 1s4e h LEU 118 Ca -0.07 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1s4e h LEU 118 Cb 0.57 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1s4e h LEU 118 CO 0.11 0.64 -0.22 -1.13 0.09 0.00 0.00 178.44 177.93 1s4e h ASN 119 N 1.11 0.62 -0.00 -0.43 -1.24 -0.85 -0.31 115.58 114.48 1s4e h ASN 119 Ca 0.39 -0.21 -0.04 0.00 0.71 0.00 0.00 56.30 57.15 1s4e h ASN 119 Cb 0.12 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.01 1s4e h ASN 119 CO -0.14 0.84 -0.15 1.56 -1.29 0.00 0.00 177.43 178.24 1s4e h GLN 120 N 0.54 0.11 -0.16 6.67 4.20 -0.35 -1.13 115.11 124.99 1s4e h GLN 120 Ca 0.08 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1s4e h GLN 120 Cb 0.68 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 1s4e h GLN 120 CO 0.05 0.87 0.06 -0.07 -0.67 0.00 0.00 178.83 179.06 1s4e h LEU 121 N -0.61 0.22 -2.22 1.46 3.38 -0.90 -3.12 115.31 113.53 1s4e h LEU 121 Ca -0.02 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1s4e h LEU 121 Cb 0.92 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1s4e h LEU 121 CO 0.03 0.35 0.00 -1.22 0.09 0.00 0.00 178.44 177.69 1s4e n TYR 122 N -4.85 0.79 -3.32 1.13 4.02 -0.13 -4.96 117.16 109.84 1s4e n TYR 122 Ca -0.05 -0.40 -0.16 0.00 -0.01 0.00 0.00 57.90 57.29 1s4e n TYR 122 Cb 0.13 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.53 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 1.27 -3.53 0.05 7.72 3.02 -0.99 -4.95 115.26 117.85 1s4e n ASN 123 Ca 0.20 -0.63 -0.05 0.00 -0.03 0.00 0.00 54.58 54.08 1s4e n ASN 123 Cb 0.51 -5.00 -0.09 0.00 -0.61 0.00 0.00 39.78 34.59 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 -1.57 0.00 -2.85 3.41 4.07 -1.48 -3.49 115.31 113.40 1s4e h LEU 124 Ca -0.58 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 56.83 1s4e h LEU 124 Cb 1.32 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 43.00 1s4e h LEU 124 CO 0.46 0.84 -0.96 0.59 -1.08 0.00 0.00 178.44 178.29 1s4e n ASN 125 N -3.18 -2.05 -4.75 -0.43 3.02 -1.26 -4.88 115.26 101.73 1s4e n ASN 125 Ca -0.05 -1.18 -0.40 0.00 -0.03 0.00 0.00 54.58 52.92 1s4e n ASN 125 Cb 0.91 -2.24 -0.05 0.00 -0.61 0.00 0.00 39.78 37.79 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 -3.86 4.76 -0.00 2.41 1.01 -1.26 -5.00 121.20 119.26 1s4e s ILE 126 Ca 0.24 1.53 -0.39 0.00 0.00 0.00 0.00 60.65 62.03 1s4e s ILE 126 Cb -0.12 -4.07 -0.18 0.00 0.01 0.00 0.00 42.46 38.11 1s4e s ILE 126 CO 0.94 0.39 1.29 -0.67 0.00 0.00 0.00 174.94 176.89 1s4e n ASP 127 N 2.72 1.10 -0.26 3.58 2.03 -1.26 -4.72 116.55 119.74 1s4e n ASP 127 Ca -0.04 1.13 0.02 0.00 0.52 0.00 0.00 54.79 56.43 1s4e n ASP 127 Cb 0.50 -1.07 0.15 0.00 -0.72 0.00 0.00 41.12 39.98 1s4e n ASP 127 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1s4e h PRO 128 N 4.24 0.62 0.00 -0.67 0.11 -1.99 0.17 132.00 134.48 1s4e h PRO 128 Ca -0.49 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 1s4e h PRO 128 Cb 1.37 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1s4e h PRO 128 CO 0.76 0.41 -0.41 1.25 -0.21 0.00 0.00 178.00 179.80 1s4e h LEU 129 N 0.64 0.00 -0.71 2.35 6.46 -1.99 -1.62 115.31 120.44 1s4e h LEU 129 Ca 0.37 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 58.03 1s4e h LEU 129 Cb 0.39 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 1s4e h LEU 129 CO -0.27 0.41 -0.12 0.50 -0.62 0.00 0.00 178.44 178.34 1s4e h LYS 130 N 0.00 0.87 -0.23 1.25 3.64 -1.20 -2.50 116.57 118.41 1s4e h LYS 130 Ca -0.00 -0.31 0.06 0.00 -1.27 0.00 0.00 60.65 59.13 1s4e h LYS 130 Cb 0.92 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.60 1s4e h LYS 130 CO 0.05 0.94 -0.26 0.87 -2.27 0.00 0.00 179.45 178.79 1s4e h LYS 131 N 0.78 -0.27 -0.64 1.90 1.57 0.12 -1.00 116.57 119.03 1s4e h LYS 131 Ca 0.13 0.02 0.12 0.00 -1.87 0.00 0.00 60.65 59.04 1s4e h LYS 131 Cb 0.63 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.92 1s4e h LYS 131 CO 0.04 -0.18 0.19 0.00 -0.57 0.00 0.00 179.45 178.94 1s4e h ALA 132 N 0.72 0.82 -0.02 3.86 0.00 -1.24 -1.49 119.26 121.90 1s4e h ALA 132 Ca 0.13 0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.93 1s4e h ALA 132 Cb 0.48 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1s4e h ALA 132 CO -0.39 -0.26 -0.92 -0.07 0.00 0.00 0.00 179.25 177.61 1s4e h LEU 133 N 0.34 0.60 -0.44 0.00 3.38 -1.04 -1.44 115.31 116.71 1s4e h LEU 133 Ca 0.34 -0.46 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1s4e h LEU 133 Cb 0.49 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1s4e h LEU 133 CO -0.38 1.26 0.28 -0.07 0.09 0.00 0.00 178.44 179.61 1s4e h LEU 134 N 0.27 0.48 -0.30 1.67 3.38 -0.98 -1.16 115.31 118.67 1s4e h LEU 134 Ca -0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1s4e h LEU 134 Cb 1.56 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 1s4e h LEU 134 CO 0.16 0.34 0.16 0.00 0.09 0.00 0.00 178.44 179.20 1s4e h ALA 135 N 1.17 0.38 -0.71 1.53 0.00 -1.11 -1.14 119.26 119.39 1s4e h ALA 135 Ca 0.17 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.11 1s4e h ALA 135 Cb -0.04 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.55 1s4e h ALA 135 CO -0.05 -0.08 0.31 -0.22 0.00 0.00 0.00 179.25 179.21 1s4e h LYS 136 N 0.36 0.49 -0.63 0.00 3.64 -1.17 -1.84 116.57 117.42 1s4e h LYS 136 Ca 0.11 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1s4e h LYS 136 Cb 0.07 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1s4e h LYS 136 CO -0.02 0.32 0.31 -0.22 -2.27 0.00 0.00 179.45 177.58 1s4e h LYS 137 N 0.50 0.90 -0.14 1.90 3.64 -0.57 0.63 116.57 123.44 1s4e h LYS 137 Ca 0.37 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1s4e h LYS 137 Cb 0.47 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1s4e h LYS 137 CO -0.33 0.72 0.09 0.00 -2.27 0.00 0.00 179.45 177.65 1s4e h ALA 138 N 1.14 0.18 -0.40 5.00 0.00 -0.91 0.31 119.26 124.59 1s4e h ALA 138 Ca 0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1s4e h ALA 138 Cb 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1s4e h ALA 138 CO -0.03 -0.31 0.20 1.49 0.00 0.00 0.00 179.25 180.60 1s4e h GLU 139 N 0.16 0.57 -0.10 0.00 4.81 -0.98 0.13 114.58 119.17 1s4e h GLU 139 Ca 0.05 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1s4e h GLU 139 Cb 0.03 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 1s4e h GLU 139 CO -0.01 0.50 -0.11 -0.91 -0.73 0.00 0.00 179.01 177.75 1s4e h ASN 140 N 0.51 0.28 0.21 1.04 -0.26 -0.62 -2.23 115.58 114.51 1s4e h ASN 140 Ca 0.14 -0.49 -0.35 0.00 -0.56 0.00 0.00 56.30 55.04 1s4e h ASN 140 Cb 0.11 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.27 1s4e h ASN 140 CO -0.02 0.70 -1.91 -0.33 -1.06 0.00 0.00 177.43 174.81 1s4e h GLU 141 N -0.15 0.23 0.00 0.81 5.08 -0.45 -3.35 114.58 116.75 1s4e h GLU 141 Ca 0.02 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1s4e h GLU 141 Cb 0.63 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1s4e h GLU 141 CO 0.03 1.10 0.00 0.34 -1.00 0.00 0.00 179.01 179.48 1s4e n PHE 142 N -3.42 0.00 -1.99 4.33 7.35 0.43 -4.69 117.46 119.47 1s4e n PHE 142 Ca -0.28 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.02 1s4e n PHE 142 Cb 1.05 -0.29 0.01 0.00 0.35 0.00 0.00 39.48 40.60 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 -0.97 2.49 -1.14 -2.13 1.01 -1.01 -4.92 120.40 113.75 1s4e s VAL 143 Ca 0.00 0.42 -0.03 0.00 0.00 0.00 0.00 61.98 62.37 1s4e s VAL 143 Cb 0.00 -3.24 0.25 0.00 0.00 0.00 0.00 36.38 33.39 1s4e s VAL 143 CO 0.00 0.05 1.94 0.61 0.00 0.00 0.00 175.10 177.70 1s4e n GLY 144 N 0.63 5.67 3.18 4.51 0.00 -1.25 -3.88 105.19 114.04 1s4e n GLY 144 Ca 0.05 -2.41 -0.34 0.00 0.00 0.00 0.00 46.02 43.32 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 -2.92 2.75 0.72 1.61 1.01 -0.84 -5.00 120.40 117.73 1s4e s VAL 145 Ca 0.42 -1.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 1s4e s VAL 145 Cb 0.16 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 34.13 1s4e s VAL 145 CO -0.08 0.15 1.07 -2.16 0.00 0.00 0.00 175.10 174.08 1s4e s PRO 146 N 1.29 2.73 0.00 2.72 0.04 -1.26 -3.74 135.00 136.77 1s4e s PRO 146 Ca -0.01 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1s4e s PRO 146 Cb -0.17 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1s4e s PRO 146 CO -0.05 -1.25 0.00 0.00 0.04 0.00 0.00 177.00 175.74 1s4e n GLY 148 N -0.70 -1.85 0.00 0.00 0.00 -1.26 -4.98 105.19 96.41 1s4e n GLY 148 Ca 0.00 -1.38 0.10 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.38 0.00 -0.28 -0.61 3.06 -1.26 -4.63 119.36 115.27 1s4e n ILE 149 Ca 0.00 -0.02 -0.07 0.00 -2.50 0.00 0.00 62.75 60.16 1s4e n ILE 149 Cb 0.00 0.89 -0.07 0.00 0.54 0.00 0.00 39.64 41.00 1s4e n ILE 149 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 1s4e n LEU 150 N -1.53 -0.70 0.08 9.51 0.00 -1.26 -1.39 117.00 121.71 1s4e n LEU 150 Ca 0.04 1.42 -0.13 0.00 0.00 0.00 0.00 56.01 57.34 1s4e n LEU 150 Cb 0.34 -0.28 -0.08 0.00 0.00 0.00 0.00 43.42 43.41 1s4e n LEU 150 CO 0.42 -1.08 0.77 0.44 0.00 0.00 0.00 177.39 177.95 1s4e h ASP 151 N 0.00 -0.13 -0.63 1.96 3.32 -2.00 -1.46 116.42 117.49 1s4e h ASP 151 Ca 0.11 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 1s4e h ASP 151 Cb 0.27 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1s4e h ASP 151 CO -0.62 0.01 0.18 1.56 -1.72 0.00 0.00 179.24 178.65 1s4e h GLN 152 N -0.26 1.00 -0.55 3.56 7.50 -1.85 -1.55 115.11 122.95 1s4e h GLN 152 Ca -0.02 -0.23 0.00 0.00 0.50 0.00 0.00 58.65 58.91 1s4e h GLN 152 Cb 0.21 -0.14 -0.03 0.00 0.05 0.00 0.00 27.48 27.58 1s4e h GLN 152 CO 0.03 0.89 0.36 0.35 -1.50 0.00 0.00 178.83 178.95 1s4e h PHE 153 N 0.92 0.71 -0.70 2.96 3.57 -1.06 -1.26 116.94 122.07 1s4e h PHE 153 Ca 0.20 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.72 1s4e h PHE 153 Cb 0.32 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1s4e h PHE 153 CO 0.02 0.46 0.46 0.00 -2.23 0.00 0.00 178.31 177.03 1s4e h ALA 154 N 1.19 0.89 -0.31 2.41 0.00 -0.91 0.90 119.26 123.42 1s4e h ALA 154 Ca 0.20 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 1s4e h ALA 154 Cb -0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 1s4e h ALA 154 CO -0.04 0.31 -0.47 0.28 0.00 0.00 0.00 179.25 179.33 1s4e h VAL 155 N 0.95 1.28 0.19 0.00 2.07 -0.91 -2.19 116.25 117.63 1s4e h VAL 155 Ca 0.26 -1.65 -0.29 0.00 0.82 0.00 0.00 66.70 65.83 1s4e h VAL 155 Cb -0.11 1.53 0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1s4e h VAL 155 CO -0.06 0.54 -1.25 0.58 0.02 0.00 0.00 177.57 177.41 1s4e h VAL 156 N 0.66 1.33 -0.01 2.57 2.07 -1.01 -2.01 116.25 119.85 1s4e h VAL 156 Ca 0.04 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 64.98 1s4e h VAL 156 Cb 1.05 2.97 0.00 0.00 -1.52 0.00 0.00 31.29 33.79 1s4e h VAL 156 CO 0.10 0.77 -0.65 0.49 0.02 0.00 0.00 177.57 178.30 1s4e n PHE 157 N -3.84 0.00 -1.48 1.57 3.01 0.29 -3.81 117.46 113.19 1s4e n PHE 157 Ca -0.15 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.89 1s4e n PHE 157 Cb 1.00 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.47 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 1.45 -1.22 3.14 1.37 0.00 -0.83 -4.71 105.19 104.38 1s4e n GLY 158 Ca 0.07 0.10 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.61 0.73 0.00 1.61 2.20 -0.94 -0.78 119.74 120.95 1s4e s LYS 159 Ca 0.63 -1.00 0.00 0.00 -0.36 0.00 0.00 55.97 55.24 1s4e s LYS 159 Cb -0.62 -0.48 0.00 0.00 -1.51 0.00 0.00 37.83 35.22 1s4e s LYS 159 CO 0.58 0.08 0.92 1.17 -0.36 0.00 0.00 175.35 177.74 1s4e n LYS 160 N 0.96 0.00 -1.71 4.03 0.00 -1.26 -2.27 118.16 117.91 1s4e n LYS 160 Ca -0.19 0.59 -0.38 0.00 0.00 0.00 0.00 58.31 58.33 1s4e n LYS 160 Cb 0.56 -1.42 0.05 0.00 0.00 0.00 0.00 35.03 34.23 1s4e n LYS 160 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1s4e n ASP 161 N -2.07 7.57 -3.96 3.14 8.00 -1.26 -1.67 116.55 126.29 1s4e n ASP 161 Ca 0.00 -3.80 -0.09 0.00 0.71 0.00 0.00 54.79 51.60 1s4e n ASP 161 Cb 0.00 -1.04 -0.11 0.00 -0.02 0.00 0.00 41.12 39.94 1s4e n ASP 161 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1s4e s ASN 162 N -1.29 0.20 0.25 -2.24 0.01 -0.96 -1.40 114.94 109.51 1s4e s ASN 162 Ca 0.56 -0.43 0.05 0.00 -0.71 0.00 0.00 52.86 52.33 1s4e s ASN 162 Cb 0.46 0.09 -0.03 0.00 0.41 0.00 0.00 41.25 42.18 1s4e s ASN 162 CO -0.28 -0.27 0.37 0.68 -1.51 0.00 0.00 177.10 176.09 1s4e s VAL 163 N -1.29 5.24 -0.25 1.60 -7.23 -0.79 -4.51 120.40 113.16 1s4e s VAL 163 Ca -0.14 -0.97 -0.03 0.00 -1.81 0.00 0.00 61.98 59.03 1s4e s VAL 163 Cb -0.09 -3.85 0.01 0.00 0.56 0.00 0.00 36.38 33.01 1s4e s VAL 163 CO -0.01 -0.34 -0.03 -0.63 -0.31 0.00 0.00 175.10 173.78 1s4e s ILE 164 N -2.00 3.24 -0.00 -0.62 1.01 0.11 -1.91 121.20 121.04 1s4e s ILE 164 Ca 0.34 -0.77 -0.25 0.00 0.00 0.00 0.00 60.65 59.98 1s4e s ILE 164 Cb -0.09 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 1s4e s ILE 164 CO 0.29 0.26 0.76 0.12 0.00 0.00 0.00 174.94 176.38 1s4e s PHE 165 N 1.41 3.67 -0.06 3.97 5.36 -0.42 -2.94 117.98 128.97 1s4e s PHE 165 Ca 0.03 1.41 -0.01 0.00 -0.96 0.00 0.00 56.93 57.40 1s4e s PHE 165 Cb -0.16 -2.84 0.03 0.00 -0.34 0.00 0.00 43.02 39.71 1s4e s PHE 165 CO -0.03 0.18 0.01 -1.17 -1.46 0.00 0.00 175.22 172.74 1s4e s LEU 166 N 0.37 0.63 -0.64 6.12 0.20 -0.06 -0.72 118.68 124.58 1s4e s LEU 166 Ca 0.40 -0.06 -0.27 0.00 0.69 0.00 0.00 54.13 54.89 1s4e s LEU 166 Cb -0.19 -0.37 0.03 0.00 -0.43 0.00 0.00 46.19 45.23 1s4e s LEU 166 CO 0.22 -0.18 1.19 -0.62 -0.29 0.00 0.00 176.35 176.67 1s4e s ASP 167 N 1.83 6.31 0.00 3.68 -1.08 -0.74 -1.25 116.67 125.42 1s4e s ASP 167 Ca 0.02 -0.21 0.12 0.00 -0.52 0.00 0.00 52.55 51.96 1s4e s ASP 167 Cb -0.12 -2.54 0.52 0.00 -1.46 0.00 0.00 42.92 39.32 1s4e s ASP 167 CO -0.04 -1.60 1.39 0.35 0.52 0.00 0.00 175.17 175.79 1s4e n THR 168 N 6.48 1.17 0.04 1.71 -2.24 -0.54 -0.65 114.28 120.23 1s4e n THR 168 Ca 0.05 0.29 -0.20 0.00 -2.27 0.00 0.00 64.05 61.93 1s4e n THR 168 Cb 0.49 -1.09 -0.14 0.00 -2.10 0.00 0.00 70.33 67.49 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 0.28 0.00 -0.78 4.15 -1.77 -3.39 115.11 113.60 1s4e h GLN 169 Ca 0.00 -0.47 0.00 0.00 0.77 0.00 0.00 58.65 58.95 1s4e h GLN 169 Cb 0.21 0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.07 1s4e h GLN 169 CO 0.00 1.15 -1.09 0.25 -1.93 0.00 0.00 178.83 177.22 1s4e n THR 170 N -3.46 0.00 -2.12 2.39 -2.24 -1.16 -4.99 114.28 102.71 1s4e n THR 170 Ca -0.25 -0.06 -0.16 0.00 -2.27 0.00 0.00 64.05 61.31 1s4e n THR 170 Cb 1.06 0.84 -0.03 0.00 -2.10 0.00 0.00 70.33 70.10 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 -1.59 -1.38 -4.74 3.22 4.77 0.17 -4.99 117.00 112.46 1s4e n LEU 171 Ca 0.03 0.20 -0.40 0.00 -0.03 0.00 0.00 56.01 55.81 1s4e n LEU 171 Cb 0.36 -2.43 -0.05 0.00 -2.33 0.00 0.00 43.42 38.97 1s4e n LEU 171 CO 0.43 -0.38 0.52 -1.10 -1.33 0.00 0.00 177.39 175.53 1s4e s GLN 172 N -4.50 4.56 0.24 3.23 -1.52 -1.24 -4.94 119.66 115.50 1s4e s GLN 172 Ca 0.00 1.18 0.01 0.00 -1.95 0.00 0.00 55.36 54.59 1s4e s GLN 172 Cb 0.00 -3.35 -0.04 0.00 -0.22 0.00 0.00 33.01 29.39 1s4e s GLN 172 CO 0.00 0.31 0.12 1.52 -0.25 0.00 0.00 175.29 176.99 1s4e s TYR 173 N -0.19 1.40 -0.22 0.91 -0.85 -1.26 -1.80 117.35 115.33 1s4e s TYR 173 Ca 0.40 -1.29 -0.13 0.00 -0.52 0.00 0.00 57.07 55.53 1s4e s TYR 173 Cb -0.22 -0.75 0.07 0.00 0.38 0.00 0.00 41.96 41.44 1s4e s TYR 173 CO 0.25 -0.49 0.54 -2.00 -1.52 0.00 0.00 175.55 172.33 1s4e s GLU 174 N -4.05 0.55 0.32 -3.49 2.12 0.11 -4.99 118.70 109.27 1s4e s GLU 174 Ca 0.38 0.96 -0.22 0.00 0.36 0.00 0.00 54.97 56.45 1s4e s GLU 174 Cb 0.07 0.08 -0.10 0.00 0.26 0.00 0.00 34.13 34.45 1s4e s GLU 174 CO 0.14 -0.15 0.88 0.71 -0.54 0.00 0.00 175.26 176.30 1s4e s TYR 175 N 1.36 3.57 -0.19 5.30 1.51 -1.26 -1.30 117.35 126.34 1s4e s TYR 175 Ca -0.09 1.60 -0.04 0.00 -1.01 0.00 0.00 57.07 57.54 1s4e s TYR 175 Cb -0.06 -2.80 0.06 0.00 -0.11 0.00 0.00 41.96 39.05 1s4e s TYR 175 CO -0.14 0.16 0.07 0.42 -1.11 0.00 0.00 175.55 174.95 1s4e s ILE 176 N -1.76 0.19 0.08 2.71 1.01 -0.80 -4.94 121.20 117.69 1s4e s ILE 176 Ca 0.52 -0.40 -0.36 0.00 0.00 0.00 0.00 60.65 60.40 1s4e s ILE 176 Cb -0.15 -0.82 -0.16 0.00 0.01 0.00 0.00 42.46 41.34 1s4e s ILE 176 CO 0.20 -0.29 1.46 -2.65 0.00 0.00 0.00 174.94 173.65 1s4e n PRO 177 N 5.17 1.49 -3.71 2.79 -0.02 -1.26 -1.89 135.00 137.57 1s4e n PRO 177 Ca -0.08 0.54 -0.37 0.00 -2.02 0.00 0.00 63.50 61.57 1s4e n PRO 177 Cb 0.48 -2.23 -0.11 0.00 -0.02 0.00 0.00 33.50 31.61 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 0.94 3.20 0.15 6.00 5.36 -0.49 -4.83 117.98 128.30 1s4e s PHE 178 Ca 0.84 -0.04 -0.34 0.00 -0.96 0.00 0.00 56.93 56.43 1s4e s PHE 178 Cb -0.87 -2.28 -0.16 0.00 -0.34 0.00 0.00 43.02 39.37 1s4e s PHE 178 CO 0.45 -0.15 1.29 -0.35 -1.46 0.00 0.00 175.22 175.00 1s4e n PRO 179 N 4.71 1.33 0.27 10.12 -0.04 -1.26 -4.75 135.00 145.38 1s4e n PRO 179 Ca -0.15 0.48 0.17 0.00 -0.04 0.00 0.00 63.50 63.95 1s4e n PRO 179 Cb 0.52 -2.07 0.66 0.00 -0.04 0.00 0.00 33.50 32.57 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 4.10 0.00 -0.64 0.54 1.57 -1.97 -2.97 116.57 117.21 1s4e h LYS 180 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1s4e h LYS 180 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1s4e h LYS 180 CO 0.75 0.02 0.00 -0.40 -0.57 0.00 0.00 179.45 179.24 1s4e n ASP 181 N -3.11 3.57 -4.30 0.86 5.75 -1.26 -4.78 116.55 113.28 1s4e n ASP 181 Ca 0.01 -2.09 -0.32 0.00 -0.01 0.00 0.00 54.79 52.38 1s4e n ASP 181 Cb 0.32 -0.45 -0.16 0.00 -1.03 0.00 0.00 41.12 39.80 1s4e n ASP 181 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1s4e s VAL 182 N -1.30 2.22 -0.09 2.12 1.01 -1.12 -2.79 120.40 120.45 1s4e s VAL 182 Ca 0.43 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1s4e s VAL 182 Cb 0.23 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1s4e s VAL 182 CO 0.27 0.57 -0.08 -0.44 0.00 0.00 0.00 175.10 175.42 1s4e s SER 183 N -0.20 4.48 -0.22 3.32 0.01 0.66 -4.77 113.70 116.98 1s4e s SER 183 Ca -0.02 -0.11 -0.29 0.00 1.31 0.00 0.00 55.95 56.84 1s4e s SER 183 Cb -0.13 -1.27 -0.00 0.00 0.21 0.00 0.00 66.02 64.82 1s4e s SER 183 CO 0.03 0.30 1.19 -0.69 0.41 0.00 0.00 173.24 174.48 1s4e s VAL 184 N -0.46 4.40 -0.29 3.43 1.01 -1.24 -2.31 120.40 124.93 1s4e s VAL 184 Ca 0.06 1.67 -0.15 0.00 0.00 0.00 0.00 61.98 63.56 1s4e s VAL 184 Cb -0.12 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 1s4e s VAL 184 CO 0.02 -0.23 0.40 -0.22 0.00 0.00 0.00 175.10 175.06 1s4e s LEU 185 N 3.56 4.16 -0.22 3.92 2.96 -0.21 -1.87 118.68 130.98 1s4e s LEU 185 Ca 0.51 0.15 -0.08 0.00 -0.22 0.00 0.00 54.13 54.49 1s4e s LEU 185 Cb -0.18 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.04 1s4e s LEU 185 CO 0.13 -0.26 0.08 -0.69 -1.32 0.00 0.00 176.35 174.29 1s4e s VAL 186 N 2.11 4.60 -0.24 1.68 1.01 -0.31 -1.26 120.40 127.99 1s4e s VAL 186 Ca 0.15 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.07 1s4e s VAL 186 Cb -0.16 -3.12 0.05 0.00 0.00 0.00 0.00 36.38 33.15 1s4e s VAL 186 CO 0.11 0.38 -0.14 0.12 0.00 0.00 0.00 175.10 175.57 1s4e s PHE 187 N 1.11 3.12 -0.14 5.22 5.36 0.10 -0.97 117.98 131.77 1s4e s PHE 187 Ca 0.05 -2.12 -0.28 0.00 -0.96 0.00 0.00 56.93 53.62 1s4e s PHE 187 Cb -0.14 -1.92 -0.01 0.00 -0.34 0.00 0.00 43.02 40.60 1s4e s PHE 187 CO 0.03 -0.86 0.93 -0.47 -1.46 0.00 0.00 175.22 173.40 1s4e s TYR 188 N 1.16 3.46 -0.13 10.12 5.04 -0.45 -0.76 117.35 135.79 1s4e s TYR 188 Ca -0.05 1.43 0.28 0.00 -2.44 0.00 0.00 57.07 56.29 1s4e s TYR 188 Cb -0.18 -3.12 0.84 0.00 0.35 0.00 0.00 41.96 39.86 1s4e s TYR 188 CO -0.07 -0.25 1.79 1.79 -1.34 0.00 0.00 175.55 177.46 1s4e h THR 189 N 5.17 0.09 0.00 4.34 1.35 -1.55 -3.03 112.91 119.28 1s4e h THR 189 Ca -0.29 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 1s4e h THR 189 Cb 1.13 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 1s4e h THR 189 CO 0.86 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 176.78 1s4e n GLY 190 N 0.54 0.61 3.69 5.82 0.00 -1.26 -4.44 105.19 110.16 1s4e n GLY 190 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.66 4.60 -0.26 1.61 1.01 -1.26 -4.61 120.40 118.83 1s4e s VAL 191 Ca 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 1s4e s VAL 191 Cb 0.00 -2.99 0.09 0.00 0.00 0.00 0.00 36.38 33.48 1s4e s VAL 191 CO 0.00 0.56 0.12 -0.75 0.00 0.00 0.00 175.10 175.03 1s4e s LYS 192 N -0.51 0.20 0.54 2.72 2.47 -1.26 -1.31 119.74 122.60 1s4e s LYS 192 Ca 0.10 -0.45 -0.18 0.00 -1.56 0.00 0.00 55.97 53.87 1s4e s LYS 192 Cb -0.12 -1.38 -0.06 0.00 -1.46 0.00 0.00 37.83 34.81 1s4e s LYS 192 CO 0.02 -0.93 1.04 1.03 0.16 0.00 0.00 175.35 176.67 1s4e s ARG 193 N 2.08 3.58 0.17 4.03 0.52 -1.13 -4.96 118.95 123.23 1s4e s ARG 193 Ca 0.07 1.25 -0.13 0.00 -0.52 0.00 0.00 55.73 56.40 1s4e s ARG 193 Cb -0.16 -2.07 0.07 0.00 0.52 0.00 0.00 34.95 33.31 1s4e s ARG 193 CO -0.29 -0.61 1.78 0.93 0.02 0.00 0.00 175.30 177.13 1s4e h GLU 194 N 0.96 0.80 -1.12 3.54 3.07 -2.01 -3.07 114.58 116.74 1s4e h GLU 194 Ca -0.48 -0.10 0.31 0.00 -0.50 0.00 0.00 59.36 58.59 1s4e h GLU 194 Cb 1.22 -0.15 -0.08 0.00 -0.84 0.00 0.00 28.75 28.90 1s4e h GLU 194 CO 0.58 0.62 0.76 -0.07 -1.40 0.00 0.00 179.01 179.51 1s4e h LEU 195 N 0.77 0.23 -0.55 1.33 3.38 -1.97 -3.36 115.31 115.15 1s4e h LEU 195 Ca 0.20 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.33 1s4e h LEU 195 Cb 0.06 0.02 -0.11 0.00 0.09 0.00 0.00 40.66 40.72 1s4e h LEU 195 CO -0.03 0.03 -0.23 0.00 0.09 0.00 0.00 178.44 178.29 1s4e h ALA 196 N 1.53 0.17 0.08 1.53 0.00 -1.88 0.12 119.26 120.80 1s4e h ALA 196 Ca 0.60 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.70 1s4e h ALA 196 Cb 1.92 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 20.28 1s4e h ALA 196 CO -0.18 -0.55 -0.08 0.77 0.00 0.00 0.00 179.25 179.21 1s4e h SER 197 N -0.10 -0.22 0.06 0.00 0.02 -1.85 -0.98 113.55 110.48 1s4e h SER 197 Ca 0.25 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 61.09 1s4e h SER 197 Cb 0.49 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1s4e h SER 197 CO -0.61 -0.13 -0.46 0.77 -1.14 0.00 0.00 176.83 175.26 1s4e h SER 198 N -0.18 0.51 -0.13 3.07 4.64 -1.65 -0.79 113.55 119.02 1s4e h SER 198 Ca 0.01 -0.24 -0.08 0.00 -0.47 0.00 0.00 61.79 61.00 1s4e h SER 198 Cb 0.18 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1s4e h SER 198 CO -0.03 0.90 -0.15 -0.33 -0.87 0.00 0.00 176.83 176.35 1s4e h GLU 199 N 0.39 0.52 -0.06 4.77 4.39 -0.62 -2.17 114.58 121.79 1s4e h GLU 199 Ca 0.02 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 1s4e h GLU 199 Cb 0.95 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1s4e h GLU 199 CO 0.08 0.66 -0.01 -0.92 -1.16 0.00 0.00 179.01 177.66 1s4e h TYR 200 N 0.47 0.12 -0.72 4.33 3.20 -0.77 -2.61 116.97 120.99 1s4e h TYR 200 Ca 0.08 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.01 1s4e h TYR 200 Cb 0.54 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.74 1s4e h TYR 200 CO 0.02 0.43 0.47 0.00 -1.64 0.00 0.00 178.16 177.44 1s4e h ALA 201 N 0.68 1.79 -0.16 1.82 0.00 -0.94 -1.34 119.26 121.10 1s4e h ALA 201 Ca 0.02 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1s4e h ALA 201 Cb 0.39 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1s4e h ALA 201 CO 0.00 0.07 -0.47 0.93 0.00 0.00 0.00 179.25 179.78 1s4e h GLU 202 N 0.67 0.60 -0.44 0.00 4.39 -1.23 0.01 114.58 118.57 1s4e h GLU 202 Ca 0.32 -0.43 0.08 0.00 0.34 0.00 0.00 59.36 59.67 1s4e h GLU 202 Cb 0.39 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.04 1s4e h GLU 202 CO -0.11 1.05 -0.01 0.00 -1.16 0.00 0.00 179.01 178.78 1s4e h ARG 203 N 0.26 0.09 -0.45 2.33 2.47 -1.00 0.06 114.38 118.15 1s4e h ARG 203 Ca -0.01 -0.01 -0.13 0.00 -1.26 0.00 0.00 59.98 58.57 1s4e h ARG 203 Cb 1.09 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.38 1s4e h ARG 203 CO 0.10 0.06 -0.24 -0.22 0.56 0.00 0.00 179.97 180.24 1s4e h LYS 204 N 0.10 0.93 -0.28 0.04 3.64 -1.07 -1.29 116.57 118.64 1s4e h LYS 204 Ca 0.22 -0.40 -0.17 0.00 -1.27 0.00 0.00 60.65 59.03 1s4e h LYS 204 Cb 0.32 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1s4e h LYS 204 CO -0.37 1.06 -0.50 -0.09 -2.27 0.00 0.00 179.45 177.27 1s4e h ARG 205 N 0.80 0.80 -0.64 1.90 2.43 -0.50 -2.46 114.38 116.70 1s4e h ARG 205 Ca 0.10 -0.48 -0.07 0.00 -0.81 0.00 0.00 59.98 58.72 1s4e h ARG 205 Cb 0.80 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.37 1s4e h ARG 205 CO 0.07 1.11 0.13 0.82 -1.51 0.00 0.00 179.97 180.58 1s4e h ILE 206 N 0.62 1.25 -0.28 1.20 2.04 -0.92 -1.39 117.51 120.04 1s4e h ILE 206 Ca 0.03 -0.97 -0.16 0.00 1.00 0.00 0.00 64.86 64.75 1s4e h ILE 206 Cb 1.09 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1s4e h ILE 206 CO 0.11 0.37 -0.48 0.00 0.00 0.00 0.00 178.15 178.14 1s4e h ALA 207 N 1.15 0.62 -0.15 1.87 0.00 -1.14 -0.85 119.26 120.77 1s4e h ALA 207 Ca 0.20 -0.49 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 1s4e h ALA 207 Cb 0.39 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1s4e h ALA 207 CO 0.01 0.68 -0.63 0.93 0.00 0.00 0.00 179.25 180.23 1s4e h GLU 208 N 0.60 0.53 -0.55 0.00 5.08 -1.36 -1.73 114.58 117.15 1s4e h GLU 208 Ca 0.03 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 57.94 1s4e h GLU 208 Cb 1.05 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 1s4e h GLU 208 CO 0.10 0.99 0.06 1.49 -1.00 0.00 0.00 179.01 180.65 1s4e h GLU 209 N 0.39 0.93 0.09 2.33 4.81 -1.18 -1.28 114.58 120.67 1s4e h GLU 209 Ca -0.01 -0.27 0.01 0.00 -0.13 0.00 0.00 59.36 58.96 1s4e h GLU 209 Cb 1.20 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1s4e h GLU 209 CO 0.12 0.91 -0.11 0.77 -0.73 0.00 0.00 179.01 179.97 1s4e h SER 210 N 0.81 -0.29 -0.84 1.04 0.02 -0.94 -0.90 113.55 112.45 1s4e h SER 210 Ca 0.16 0.03 0.17 0.00 -0.84 0.00 0.00 61.79 61.31 1s4e h SER 210 Cb 0.46 0.11 -0.10 0.00 0.14 0.00 0.00 62.40 63.00 1s4e h SER 210 CO 0.02 -0.17 0.38 -0.07 -1.14 0.00 0.00 176.83 175.85 1s4e h LEU 211 N -0.23 0.38 0.02 5.07 3.38 -1.17 -2.14 115.31 120.62 1s4e h LEU 211 Ca 0.01 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1s4e h LEU 211 Cb 0.23 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1s4e h LEU 211 CO -0.05 0.11 -0.01 -0.09 0.09 0.00 0.00 178.44 178.50 1s4e h ARG 212 N 0.50 -0.02 -0.70 1.13 2.43 -0.36 -1.44 114.38 115.92 1s4e h ARG 212 Ca 0.48 0.00 0.17 0.00 -0.81 0.00 0.00 59.98 59.82 1s4e h ARG 212 Cb 0.77 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.29 1s4e h ARG 212 CO -0.43 0.26 0.48 0.82 -1.51 0.00 0.00 179.97 179.59 1s4e h ILE 213 N -0.31 0.72 -0.02 1.20 2.04 -1.05 -2.77 117.51 117.34 1s4e h ILE 213 Ca -0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1s4e h ILE 213 Cb 0.29 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1s4e h ILE 213 CO 0.00 0.03 -0.34 0.18 0.00 0.00 0.00 178.15 178.03 1s4e n LEU 214 N -4.41 2.16 -0.85 1.44 4.77 -0.82 -4.97 117.00 114.32 1s4e n LEU 214 Ca 0.13 -0.77 -0.11 0.00 -0.03 0.00 0.00 56.01 55.24 1s4e n LEU 214 Cb 0.64 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.68 1s4e n LEU 214 CO 0.35 0.39 -0.11 0.61 -1.33 0.00 0.00 177.39 177.30 1s4e n GLY 215 N 1.39 1.23 3.78 -0.72 0.00 -0.58 -5.01 105.19 105.28 1s4e n GLY 215 Ca 0.11 -0.47 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.90 2.82 0.00 1.61 3.01 -0.93 -5.04 119.74 118.30 1s4e s LYS 216 Ca 0.00 -0.96 0.04 0.00 -1.01 0.00 0.00 55.97 54.04 1s4e s LYS 216 Cb 0.00 -2.57 0.01 0.00 -1.01 0.00 0.00 37.83 34.26 1s4e s LYS 216 CO 0.00 0.46 0.51 0.39 0.51 0.00 0.00 175.35 177.22 1s4e n GLU 217 N -0.50 1.08 -3.86 1.68 -0.58 -1.26 -4.45 120.64 112.76 1s4e n GLU 217 Ca -0.08 -0.55 -0.11 0.00 -0.42 0.00 0.00 57.16 55.99 1s4e n GLU 217 Cb 0.56 -0.97 -0.11 0.00 -0.57 0.00 0.00 31.44 30.34 1s4e n GLU 217 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1s4e s SER 218 N -0.57 -0.02 0.56 1.62 0.15 -1.26 -4.76 113.70 109.42 1s4e s SER 218 Ca 0.04 -0.06 0.29 0.00 0.70 0.00 0.00 55.95 56.92 1s4e s SER 218 Cb 0.03 0.24 1.47 0.00 -1.71 0.00 0.00 66.02 66.05 1s4e s SER 218 CO 0.07 -0.27 1.92 0.77 1.20 0.00 0.00 173.24 176.93 1s4e h SER 219 N 4.78 0.00 -0.61 5.45 4.64 -1.00 -1.23 113.55 125.58 1s4e h SER 219 Ca -0.29 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.16 1s4e h SER 219 Cb 1.20 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.25 1s4e h SER 219 CO 0.41 0.00 0.42 0.11 -0.87 0.00 0.00 176.83 176.90 1s4e h LYS 220 N 0.00 0.25 -0.02 4.77 1.57 -1.80 -1.35 116.57 119.99 1s4e h LYS 220 Ca 0.28 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1s4e h LYS 220 Cb 1.28 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1s4e h LYS 220 CO -0.00 0.16 -0.03 0.39 -0.57 0.00 0.00 179.45 179.40 1s4e n GLU 221 N -4.44 1.67 -2.89 3.15 1.02 -0.47 -4.87 120.64 113.81 1s4e n GLU 221 Ca 0.11 -1.04 -0.42 0.00 -0.02 0.00 0.00 57.16 55.79 1s4e n GLU 221 Cb 0.50 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.40 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 -2.05 4.86 0.31 2.62 1.01 -0.51 -5.02 120.40 121.62 1s4e s VAL 222 Ca 0.35 1.60 0.05 0.00 0.00 0.00 0.00 61.98 63.98 1s4e s VAL 222 Cb 0.21 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1s4e s VAL 222 CO 0.35 -0.02 0.45 -0.89 0.00 0.00 0.00 175.10 174.98 1s4e s THR 223 N 2.50 4.57 0.23 3.92 2.01 -1.26 -4.96 115.64 122.65 1s4e s THR 223 Ca 0.36 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 61.36 1s4e s THR 223 Cb -0.16 -3.61 0.21 0.00 0.01 0.00 0.00 72.50 68.95 1s4e s THR 223 CO 0.10 -0.26 1.88 -0.33 -0.69 0.00 0.00 174.62 175.32 1s4e h GLU 224 N 0.95 1.21 -0.45 4.92 4.39 -2.00 -2.13 114.58 121.46 1s4e h GLU 224 Ca -0.48 -0.11 0.06 0.00 0.34 0.00 0.00 59.36 59.17 1s4e h GLU 224 Cb 1.24 -0.25 -0.05 0.00 -0.10 0.00 0.00 28.75 29.59 1s4e h GLU 224 CO 0.57 0.84 0.15 -0.22 -1.16 0.00 0.00 179.01 179.19 1s4e h LYS 225 N 1.23 0.30 -0.54 2.33 3.64 -1.99 -2.58 116.57 118.97 1s4e h LYS 225 Ca 0.32 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.75 1s4e h LYS 225 Cb -0.06 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.64 1s4e h LYS 225 CO -0.06 0.20 0.21 -0.44 -2.27 0.00 0.00 179.45 177.09 1s4e h ASP 226 N 0.31 0.24 -0.25 4.20 3.32 -1.89 -1.93 116.42 120.43 1s4e h ASP 226 Ca 0.22 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 1s4e h ASP 226 Cb 0.23 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1s4e h ASP 226 CO -0.23 0.16 0.14 -0.07 -1.72 0.00 0.00 179.24 177.52 1s4e h LEU 227 N 0.41 0.34 -0.97 1.55 3.38 -1.04 0.05 115.31 119.02 1s4e h LEU 227 Ca 0.26 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1s4e h LEU 227 Cb 0.26 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1s4e h LEU 227 CO -0.24 0.28 0.00 1.23 0.09 0.00 0.00 178.44 179.80 1s4e h GLY 228 N 0.47 0.00 0.48 0.83 0.00 -0.98 -2.67 103.07 101.19 1s4e h GLY 228 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1s4e h GLY 228 CO -0.02 0.00 -0.62 0.28 0.00 0.00 0.00 176.54 176.18 1s4e n LYS 229 N -2.35 0.18 -2.97 4.80 5.02 -0.01 -4.94 118.16 117.89 1s4e n LYS 229 Ca 0.01 -0.12 -0.34 0.00 -2.02 0.00 0.00 58.31 55.84 1s4e n LYS 229 Cb 0.20 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.64 1s4e n LYS 229 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1s4e s LEU 230 N -2.91 4.08 0.91 -0.35 1.43 -1.01 -5.08 118.68 115.75 1s4e s LEU 230 Ca 0.12 1.52 -0.13 0.00 -1.03 0.00 0.00 54.13 54.60 1s4e s LEU 230 Cb 0.17 -4.19 0.14 0.00 0.03 0.00 0.00 46.19 42.34 1s4e s LEU 230 CO 0.72 -0.22 1.19 -2.16 0.23 0.00 0.00 176.35 176.11 1s4e s PRO 231 N -2.83 1.16 0.09 1.29 0.04 -1.26 -4.64 135.00 128.84 1s4e s PRO 231 Ca 0.55 0.05 -0.32 0.00 0.04 0.00 0.00 61.00 61.33 1s4e s PRO 231 Cb -0.11 -1.86 -0.14 0.00 0.04 0.00 0.00 34.50 32.42 1s4e s PRO 231 CO 0.17 -2.14 1.61 -1.35 0.04 0.00 0.00 177.00 175.33 1s4e h PRO 232 N -1.45 -0.74 -0.60 0.56 0.11 -1.98 -0.58 132.00 127.32 1s4e h PRO 232 Ca -0.47 0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.62 1s4e h PRO 232 Cb 1.31 0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.56 1s4e h PRO 232 CO 0.56 -0.49 0.08 1.25 -0.21 0.00 0.00 178.00 179.19 1s4e h LEU 233 N -0.77 0.94 -1.29 2.35 5.85 -1.99 -0.93 115.31 119.47 1s4e h LEU 233 Ca -0.03 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1s4e h LEU 233 Cb 0.68 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1s4e h LEU 233 CO -0.05 0.95 0.42 0.45 -0.34 0.00 0.00 178.44 179.87 1s4e h HIS 234 N 0.92 0.87 -0.04 1.25 3.86 -1.90 -1.36 115.15 118.75 1s4e h HIS 234 Ca 0.18 0.01 -0.20 0.00 -1.16 0.00 0.00 60.37 59.20 1s4e h HIS 234 Cb 0.42 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 28.60 1s4e h HIS 234 CO 0.03 0.57 -0.83 -0.09 0.86 0.00 0.00 177.93 178.47 1s4e h ARG 235 N 0.93 0.41 -0.19 2.45 2.43 0.09 -1.65 114.38 118.83 1s4e h ARG 235 Ca 0.25 -0.38 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 1s4e h ARG 235 Cb -0.06 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1s4e h ARG 235 CO -0.05 1.03 0.03 -0.22 -1.51 0.00 0.00 179.97 179.25 1s4e h LYS 236 N 0.26 0.32 -0.15 0.20 3.64 -0.84 -1.97 116.57 118.04 1s4e h LYS 236 Ca -0.05 -0.09 -0.18 0.00 -1.27 0.00 0.00 60.65 59.06 1s4e h LYS 236 Cb 1.43 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 33.22 1s4e h LYS 236 CO 0.14 0.49 -0.59 0.74 -2.27 0.00 0.00 179.45 177.96 1s4e h PHE 237 N 0.11 0.89 0.00 1.91 0.05 -1.24 -3.12 116.94 115.55 1s4e h PHE 237 Ca 0.06 -0.38 -0.11 0.00 3.82 0.00 0.00 57.97 61.36 1s4e h PHE 237 Cb 0.32 -0.14 -0.02 0.00 2.00 0.00 0.00 35.95 38.11 1s4e h PHE 237 CO 0.02 1.18 -0.54 0.35 -0.18 0.00 0.00 178.31 179.14 1s4e h PHE 238 N 0.35 0.00 -0.32 -0.55 3.57 -1.33 -2.57 116.94 116.09 1s4e h PHE 238 Ca -0.03 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.39 1s4e h PHE 238 Cb 1.22 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.95 1s4e h PHE 238 CO 0.10 0.54 -0.16 0.77 -2.23 0.00 0.00 178.31 177.33 1s4e h SER 239 N 0.00 0.55 -0.40 0.41 0.02 -1.38 -0.93 113.55 111.83 1s4e h SER 239 Ca -0.01 -0.16 0.02 0.00 -0.84 0.00 0.00 61.79 60.80 1s4e h SER 239 Cb 1.20 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.57 1s4e h SER 239 CO 0.07 0.73 0.23 0.22 -1.14 0.00 0.00 176.83 176.94 1s4e h TYR 240 N 0.51 0.42 -0.39 3.45 3.20 -1.40 -2.22 116.97 120.55 1s4e h TYR 240 Ca 0.09 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 1s4e h TYR 240 Cb 0.57 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1s4e h TYR 240 CO 0.02 0.24 0.08 0.82 -1.64 0.00 0.00 178.16 177.68 1s4e h ILE 241 N 0.46 1.18 -0.02 1.81 2.04 -1.02 0.15 117.51 122.11 1s4e h ILE 241 Ca 0.16 -0.67 -0.06 0.00 1.00 0.00 0.00 64.86 65.28 1s4e h ILE 241 Cb 0.02 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1s4e h ILE 241 CO -0.08 0.24 -0.24 0.58 0.00 0.00 0.00 178.15 178.65 1s4e h VAL 242 N 0.57 1.50 -0.83 1.67 2.07 -1.14 -1.71 116.25 118.38 1s4e h VAL 242 Ca 0.13 -1.81 0.11 0.00 0.82 0.00 0.00 66.70 65.95 1s4e h VAL 242 Cb 0.24 2.59 -0.06 0.00 -1.52 0.00 0.00 31.29 32.55 1s4e h VAL 242 CO -0.00 0.50 0.54 0.03 0.02 0.00 0.00 177.57 178.66 1s4e h ARG 243 N -0.41 0.69 -0.49 1.57 3.08 -1.17 -2.32 114.38 115.34 1s4e h ARG 243 Ca -0.02 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 1s4e h ARG 243 Cb 0.94 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 1s4e h ARG 243 CO 0.05 0.46 -0.03 0.93 -1.07 0.00 0.00 179.97 180.31 1s4e h GLU 244 N 0.71 0.83 -0.59 0.04 5.08 -0.19 -2.50 114.58 117.96 1s4e h GLU 244 Ca 0.39 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1s4e h GLU 244 Cb 0.55 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1s4e h GLU 244 CO -0.16 0.85 0.17 -0.91 -1.00 0.00 0.00 179.01 177.95 1s4e h ASN 245 N 0.76 0.83 -0.38 1.42 2.35 -0.86 -0.84 115.58 118.87 1s4e h ASN 245 Ca 0.14 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1s4e h ASN 245 Cb 0.50 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 1s4e h ASN 245 CO 0.03 0.80 0.10 0.00 -1.65 0.00 0.00 177.43 176.70 1s4e h ALA 246 N 1.31 1.34 -0.03 -0.83 0.00 -1.08 -2.42 119.26 117.55 1s4e h ALA 246 Ca 0.19 -0.18 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 1s4e h ALA 246 Cb 0.28 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.90 1s4e h ALA 246 CO -0.01 0.47 -0.88 0.00 0.00 0.00 0.00 179.25 178.83 1s4e h ARG 247 N 0.66 0.65 -0.38 0.00 3.08 -0.78 -1.97 114.38 115.64 1s4e h ARG 247 Ca 0.15 -0.66 0.07 0.00 0.07 0.00 0.00 59.98 59.61 1s4e h ARG 247 Cb 0.26 0.18 -0.06 0.00 0.08 0.00 0.00 29.97 30.43 1s4e h ARG 247 CO -0.00 1.26 -0.01 0.28 -1.07 0.00 0.00 179.97 180.43 1s4e h VAL 248 N 0.31 0.71 -0.53 2.04 2.07 -0.90 0.36 116.25 120.30 1s4e h VAL 248 Ca -0.10 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1s4e h VAL 248 Cb 1.54 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 1s4e h VAL 248 CO 0.18 0.02 0.28 -0.07 0.02 0.00 0.00 177.57 177.99 1s4e h LEU 249 N 0.09 0.64 -0.29 2.57 3.38 -1.16 -1.36 115.31 119.18 1s4e h LEU 249 Ca 0.19 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 1s4e h LEU 249 Cb 0.26 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1s4e h LEU 249 CO -0.32 0.53 -0.40 -0.33 0.09 0.00 0.00 178.44 178.01 1s4e h GLU 250 N 0.73 0.79 -0.97 1.13 4.39 -0.48 -2.80 114.58 117.36 1s4e h GLU 250 Ca 0.19 -0.45 0.01 0.00 0.34 0.00 0.00 59.36 59.45 1s4e h GLU 250 Cb 0.03 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.67 1s4e h GLU 250 CO -0.03 1.08 0.64 0.28 -1.16 0.00 0.00 179.01 179.83 1s4e h VAL 251 N 0.55 1.24 0.09 3.13 2.07 0.17 -1.53 116.25 121.96 1s4e h VAL 251 Ca 0.03 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.11 1s4e h VAL 251 Cb 0.99 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1s4e h VAL 251 CO 0.09 0.24 -0.10 -0.09 0.02 0.00 0.00 177.57 177.73 1s4e h ARG 252 N 1.31 -0.20 -0.57 1.57 2.43 -1.23 0.26 114.38 117.94 1s4e h ARG 252 Ca 0.36 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.62 1s4e h ARG 252 Cb -0.13 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.40 1s4e h ARG 252 CO -0.08 -0.14 0.23 -0.44 -1.51 0.00 0.00 179.97 178.03 1s4e h ASP 253 N -0.21 0.26 -0.29 -3.80 3.32 -1.35 -2.20 116.42 112.15 1s4e h ASP 253 Ca 0.01 0.06 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 1s4e h ASP 253 Cb 0.21 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 1s4e h ASP 253 CO -0.04 0.17 -0.27 0.00 -1.72 0.00 0.00 179.24 177.38 1s4e h ALA 254 N 1.37 0.43 -0.67 3.45 0.00 -0.50 -2.65 119.26 120.69 1s4e h ALA 254 Ca 0.28 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1s4e h ALA 254 Cb 0.30 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1s4e h ALA 254 CO -0.26 0.43 0.28 1.25 0.00 0.00 0.00 179.25 180.95 1s4e h LEU 255 N 0.45 0.91 -2.02 0.00 6.46 -0.48 -0.34 115.31 120.30 1s4e h LEU 255 Ca 0.05 -0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.63 1s4e h LEU 255 Cb 0.84 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.53 1s4e h LEU 255 CO 0.07 0.82 -0.10 0.11 -0.62 0.00 0.00 178.44 178.72 1s4e h LYS 256 N 0.94 0.00 -0.00 1.25 1.57 -1.21 -0.77 116.57 118.35 1s4e h LYS 256 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1s4e h LYS 256 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1s4e h LYS 256 CO -0.02 0.10 -0.46 0.39 -0.57 0.00 0.00 179.45 178.89 1s4e n GLU 257 N -3.75 0.26 -0.99 3.15 1.02 -1.02 -4.96 120.64 114.37 1s4e n GLU 257 Ca -0.02 -0.16 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1s4e n GLU 257 Cb 0.20 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 1s4e n GLU 257 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s4e n GLY 258 N 1.45 0.42 3.26 0.62 0.00 -0.29 -4.96 105.19 105.68 1s4e n GLY 258 Ca 0.07 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 1s4e n GLY 258 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s4e n ASP 259 N 1.48 4.95 0.15 1.61 -0.08 -0.20 -4.80 116.55 119.65 1s4e n ASP 259 Ca 0.00 -2.98 0.13 0.00 -1.51 0.00 0.00 54.79 50.43 1s4e n ASP 259 Cb 0.00 -1.61 0.49 0.00 2.34 0.00 0.00 41.12 42.34 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 4.58 0.00 -0.03 5.18 6.09 -1.93 -2.30 117.51 129.10 1s4e h ILE 260 Ca 0.40 -0.37 -0.01 0.00 -1.37 0.00 0.00 64.86 63.51 1s4e h ILE 260 Cb 0.79 1.22 -0.00 0.00 0.47 0.00 0.00 36.82 39.30 1s4e h ILE 260 CO 1.47 0.00 -0.02 -0.33 -3.07 0.00 0.00 178.15 176.19 1s4e h GLU 261 N 0.00 0.07 -0.67 2.19 3.07 -1.93 -2.15 114.58 115.15 1s4e h GLU 261 Ca 0.00 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.79 1s4e h GLU 261 Cb 0.51 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.39 1s4e h GLU 261 CO 0.00 0.52 0.28 -0.22 -1.40 0.00 0.00 179.01 178.19 1s4e h LYS 262 N -0.39 1.00 -0.37 2.33 3.64 -1.91 -1.60 116.57 119.27 1s4e h LYS 262 Ca 0.00 -0.18 0.01 0.00 -1.27 0.00 0.00 60.65 59.21 1s4e h LYS 262 Cb 0.51 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1s4e h LYS 262 CO 0.01 0.83 0.24 0.28 -2.27 0.00 0.00 179.45 178.53 1s4e h VAL 263 N 0.95 1.09 -0.60 2.00 2.07 -1.46 -2.44 116.25 117.86 1s4e h VAL 263 Ca 0.23 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1s4e h VAL 263 Cb 0.19 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1s4e h VAL 263 CO -0.02 0.09 0.32 1.23 0.02 0.00 0.00 177.57 179.21 1s4e h GLY 264 N 0.49 0.87 0.97 2.17 0.00 -1.18 -2.19 103.07 104.20 1s4e h GLY 264 Ca 0.14 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1s4e h GLY 264 CO -0.03 0.36 0.23 1.70 0.00 0.00 0.00 176.54 178.80 1s4e h LYS 265 N 0.83 0.59 -0.56 4.80 3.64 -0.88 -2.53 116.57 122.46 1s4e h LYS 265 Ca 0.21 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.43 1s4e h LYS 265 Cb 0.02 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1s4e h LYS 265 CO -0.03 0.48 -0.01 0.82 -2.27 0.00 0.00 179.45 178.44 1s4e h ILE 266 N 0.55 1.27 -0.82 2.00 2.04 -1.14 -2.18 117.51 119.21 1s4e h ILE 266 Ca 0.15 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 1s4e h ILE 266 Cb 0.07 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 1s4e h ILE 266 CO -0.02 0.41 0.48 -0.07 0.00 0.00 0.00 178.15 178.94 1s4e h LEU 267 N 0.87 1.00 -0.04 1.44 3.38 -1.20 -1.56 115.31 119.19 1s4e h LEU 267 Ca 0.16 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1s4e h LEU 267 Cb 0.56 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1s4e h LEU 267 CO 0.03 0.78 0.00 0.74 0.09 0.00 0.00 178.44 180.08 1s4e h THR 268 N 1.14 1.24 -0.52 0.22 2.02 -0.99 -1.50 112.91 114.51 1s4e h THR 268 Ca 0.29 -0.72 0.10 0.00 0.77 0.00 0.00 66.41 66.86 1s4e h THR 268 Cb -0.02 1.65 -0.09 0.00 -1.74 0.00 0.00 68.15 67.95 1s4e h THR 268 CO -0.05 0.20 -0.03 0.74 0.37 0.00 0.00 175.52 176.74 1s4e h THR 269 N -0.21 0.56 -0.70 3.16 2.02 -1.11 -1.79 112.91 114.83 1s4e h THR 269 Ca 0.01 -0.03 0.09 0.00 0.77 0.00 0.00 66.41 67.26 1s4e h THR 269 Cb 0.31 0.46 -0.07 0.00 -1.74 0.00 0.00 68.15 67.11 1s4e h THR 269 CO 0.00 0.02 0.33 0.00 0.37 0.00 0.00 175.52 176.24 1s4e h ALA 270 N 1.48 0.95 -0.15 6.16 0.00 -0.94 -1.42 119.26 125.35 1s4e h ALA 270 Ca 0.26 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1s4e h ALA 270 Cb 0.41 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1s4e h ALA 270 CO -0.47 -0.08 0.10 1.25 0.00 0.00 0.00 179.25 180.06 1s4e h HIS 271 N 0.57 0.20 0.00 0.00 6.17 -0.41 -0.81 115.15 120.87 1s4e h HIS 271 Ca 0.35 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.43 1s4e h HIS 271 Cb 0.38 -0.07 0.00 0.00 2.52 0.00 0.00 27.41 30.24 1s4e h HIS 271 CO -0.12 0.15 0.00 -1.49 0.71 0.00 0.00 177.93 177.19 1s4e h TRP 272 N 0.19 0.00 0.02 5.26 4.06 -1.06 0.14 115.95 124.56 1s4e h TRP 272 Ca 0.06 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.94 1s4e h TRP 272 Cb 0.01 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.17 1s4e h TRP 272 CO -0.06 0.00 -0.27 0.22 -3.56 0.00 0.00 178.44 174.77 1s4e h ASP 273 N 0.00 0.20 -0.56 -3.49 1.82 -0.62 -0.76 116.42 113.01 1s4e h ASP 273 Ca 0.00 -0.87 0.05 0.00 -0.39 0.00 0.00 57.03 55.83 1s4e h ASP 273 Cb 0.48 -0.06 -0.05 0.00 0.68 0.00 0.00 39.33 40.38 1s4e h ASP 273 CO 0.00 1.04 0.28 -0.07 -1.61 0.00 0.00 179.24 178.89 1s4e h LEU 274 N -0.62 0.40 -0.06 2.28 3.38 -0.72 -0.28 115.31 119.69 1s4e h LEU 274 Ca -0.04 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1s4e h LEU 274 Cb 1.10 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1s4e h LEU 274 CO 0.05 0.27 -0.04 0.00 0.09 0.00 0.00 178.44 178.81 1s4e h ALA 275 N 1.31 0.08 0.09 1.53 0.00 -0.75 0.57 119.26 122.10 1s4e h ALA 275 Ca 0.25 -0.26 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 1s4e h ALA 275 Cb 0.17 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.96 1s4e h ALA 275 CO -0.18 -0.14 -1.16 1.49 0.00 0.00 0.00 179.25 179.26 1s4e h GLU 276 N -0.28 0.48 0.00 0.00 4.57 -1.11 -3.30 114.58 114.93 1s4e h GLU 276 Ca 0.01 -0.64 -0.29 0.00 -1.18 0.00 0.00 59.36 57.26 1s4e h GLU 276 Cb 0.52 0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 29.27 1s4e h GLU 276 CO 0.01 1.26 -1.98 0.09 -1.18 0.00 0.00 179.01 177.21 1s4e n ASN 277 N -3.72 1.31 0.27 1.04 3.02 -0.13 -4.44 115.26 112.62 1s4e n ASN 277 Ca -0.10 0.20 0.17 0.00 -0.03 0.00 0.00 54.58 54.81 1s4e n ASN 277 Cb 0.95 -0.51 0.63 0.00 -0.61 0.00 0.00 39.78 40.24 1s4e n ASN 277 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1s4e h TYR 278 N -0.60 0.00 -6.06 3.10 3.20 -1.42 -3.42 116.97 111.77 1s4e h TYR 278 Ca -0.44 0.00 -0.42 0.00 3.14 0.00 0.00 58.73 61.01 1s4e h TYR 278 Cb 1.40 0.00 0.06 0.00 1.54 0.00 0.00 36.73 39.73 1s4e h TYR 278 CO -0.05 0.01 -0.80 0.54 -1.64 0.00 0.00 178.16 176.22 1s4e n ARG 279 N -3.10 -5.45 -0.06 1.82 5.12 0.18 -4.94 116.66 110.22 1s4e n ARG 279 Ca 0.01 0.66 0.03 0.00 -1.93 0.00 0.00 57.85 56.61 1s4e n ARG 279 Cb 0.33 -5.37 0.06 0.00 -1.16 0.00 0.00 32.46 26.32 1s4e n ARG 279 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 1s4e n VAL 280 N -4.38 1.16 -1.86 1.55 0.24 -1.13 -5.00 118.33 108.91 1s4e n VAL 280 Ca -0.21 -1.19 0.00 0.00 -2.04 0.00 0.00 64.34 60.89 1s4e n VAL 280 Cb 0.64 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 33.39 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 -0.43 0.00 -3.69 -1.34 2.88 -1.26 0.12 113.62 109.90 1s4e n SER 281 Ca 0.05 -0.25 -0.02 0.00 -1.33 0.00 0.00 58.87 57.33 1s4e n SER 281 Cb 0.36 0.00 -0.01 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 h GLU 283 N 2.00 0.40 0.08 0.00 4.81 -2.01 -1.17 114.58 118.69 1s4e h GLU 283 Ca -0.26 -0.02 -0.31 0.00 -0.13 0.00 0.00 59.36 58.63 1s4e h GLU 283 Cb 1.22 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 1s4e h GLU 283 CO 0.27 0.27 -1.69 1.05 -0.73 0.00 0.00 179.01 178.18 1s4e h GLU 284 N 0.41 0.16 -0.43 1.92 9.09 -1.98 -1.76 114.58 121.99 1s4e h GLU 284 Ca 0.48 -0.28 0.00 0.00 0.05 0.00 0.00 59.36 59.62 1s4e h GLU 284 Cb 1.18 0.10 -0.02 0.00 -1.65 0.00 0.00 28.75 28.37 1s4e h GLU 284 CO -0.19 0.93 0.28 -0.07 0.05 0.00 0.00 179.01 180.02 1s4e h LEU 285 N 0.04 0.50 -1.25 3.06 3.38 -1.87 -1.27 115.31 117.90 1s4e h LEU 285 Ca -0.29 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 1s4e h LEU 285 Cb 2.01 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 1s4e h LEU 285 CO 0.11 0.36 0.03 0.44 0.09 0.00 0.00 178.44 179.48 1s4e h ASP 286 N 0.58 0.50 0.03 -0.43 3.32 -1.18 -1.66 116.42 117.58 1s4e h ASP 286 Ca 0.16 -0.09 -0.18 0.00 0.02 0.00 0.00 57.03 56.94 1s4e h ASP 286 Cb -0.06 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 1s4e h ASP 286 CO -0.03 0.55 -0.66 0.15 -1.72 0.00 0.00 179.24 177.53 1s4e h PHE 287 N 0.52 0.77 -0.41 4.55 3.57 -1.08 0.19 116.94 125.04 1s4e h PHE 287 Ca 0.11 -0.31 -0.06 0.00 3.53 0.00 0.00 57.97 61.24 1s4e h PHE 287 Cb 0.29 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1s4e h PHE 287 CO 0.01 1.08 0.01 0.35 -2.23 0.00 0.00 178.31 177.53 1s4e h PHE 288 N 0.43 0.79 -0.29 0.41 3.57 -0.71 -1.47 116.94 119.66 1s4e h PHE 288 Ca -0.02 -0.13 -0.09 0.00 3.53 0.00 0.00 57.97 61.26 1s4e h PHE 288 Cb 1.23 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 1s4e h PHE 288 CO 0.06 0.79 -0.15 0.28 -2.23 0.00 0.00 178.31 177.06 1s4e h VAL 289 N 0.56 1.29 -0.56 1.41 2.07 -1.10 -0.70 116.25 119.23 1s4e h VAL 289 Ca 0.12 -1.25 0.07 0.00 0.82 0.00 0.00 66.70 66.45 1s4e h VAL 289 Cb 0.47 1.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 1s4e h VAL 289 CO 0.02 0.40 0.25 0.50 0.02 0.00 0.00 177.57 178.76 1s4e h LYS 290 N 0.37 0.45 -0.03 1.57 3.64 -0.93 -3.07 116.57 118.58 1s4e h LYS 290 Ca 0.06 -0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 59.20 1s4e h LYS 290 Cb 0.68 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1s4e h LYS 290 CO 0.04 0.30 -0.90 0.87 -2.27 0.00 0.00 179.45 177.50 1s4e h LYS 291 N 0.47 0.47 -0.81 1.90 6.56 -1.21 -2.91 116.57 121.04 1s4e h LYS 291 Ca 0.26 -0.47 0.00 0.00 -1.06 0.00 0.00 60.65 59.39 1s4e h LYS 291 Cb 0.24 0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.03 1s4e h LYS 291 CO -0.22 1.11 0.00 0.00 -2.06 0.00 0.00 179.45 178.28 1s4e n ALA 292 N -2.55 1.29 0.00 3.86 0.00 -0.27 -2.39 120.51 120.45 1s4e n ALA 292 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1s4e n ALA 292 Cb 0.81 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.26 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 0.66 0.00 -0.20 0.00 1.02 -1.10 -2.19 120.64 118.84 1s4e n GLU 294 Ca 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.21 1s4e n GLU 294 Cb 0.02 0.00 0.18 0.00 -0.02 0.00 0.00 31.44 31.63 1s4e n GLU 294 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1s4e n LEU 295 N 0.00 3.09 0.00 -4.62 4.77 -1.00 -4.98 117.00 114.25 1s4e n LEU 295 Ca 0.00 -1.85 0.00 0.00 -0.03 0.00 0.00 56.01 54.13 1s4e n LEU 295 Cb 0.00 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1s4e n LEU 295 CO 0.00 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 1s4e n GLY 296 N 0.86 1.20 3.80 -0.72 0.00 -1.15 -4.96 105.19 104.21 1s4e n GLY 296 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1s4e n GLY 296 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s4e s ALA 297 N -2.00 2.57 0.13 4.61 0.00 -0.93 -4.87 121.76 121.27 1s4e s ALA 297 Ca 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 51.96 52.12 1s4e s ALA 297 Cb 0.00 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 19.81 1s4e s ALA 297 CO 0.00 -1.32 1.30 1.88 0.00 0.00 0.00 175.76 177.63 1s4e h TYR 298 N -0.65 0.53 -2.39 0.00 -1.99 -0.89 -3.48 116.97 108.10 1s4e h TYR 298 Ca -0.44 -0.30 0.15 0.00 2.00 0.00 0.00 58.73 60.15 1s4e h TYR 298 Cb 1.22 -0.06 -0.09 0.00 2.00 0.00 0.00 36.73 39.80 1s4e h TYR 298 CO 0.60 1.12 0.46 0.20 -0.00 0.00 0.00 178.16 180.55 1s4e s GLY 299 N -4.46 -0.28 -0.02 3.88 0.00 -1.25 -3.73 107.32 101.47 1s4e s GLY 299 Ca -0.05 0.27 -0.20 0.00 0.00 0.00 0.00 44.72 44.74 1s4e s GLY 299 CO 0.86 0.06 0.43 0.00 0.00 0.00 0.00 173.10 174.45 1s4e s ALA 300 N -3.31 -1.09 -0.17 3.20 0.00 -1.26 -0.87 121.76 118.26 1s4e s ALA 300 Ca 0.11 0.60 -0.28 0.00 0.00 0.00 0.00 51.96 52.39 1s4e s ALA 300 Cb -0.02 0.09 0.08 0.00 0.00 0.00 0.00 23.12 23.27 1s4e s ALA 300 CO 0.00 -0.31 0.74 0.50 0.00 0.00 0.00 175.76 176.69 1s4e s ARG 301 N -1.42 0.89 0.92 0.00 3.52 -0.40 -4.00 118.95 118.46 1s4e s ARG 301 Ca -0.12 0.62 -0.10 0.00 -0.13 0.00 0.00 55.73 56.00 1s4e s ARG 301 Cb -0.03 0.43 0.14 0.00 -1.56 0.00 0.00 34.95 33.92 1s4e s ARG 301 CO 0.05 -0.20 1.08 1.47 -0.81 0.00 0.00 175.30 176.90 1s4e n LEU 302 N 1.82 3.05 -4.02 -0.88 -0.00 -1.26 -0.64 117.00 115.07 1s4e n LEU 302 Ca -0.16 0.42 -0.16 0.00 -0.00 0.00 0.00 56.01 56.12 1s4e n LEU 302 Cb 0.56 -1.46 -0.13 0.00 -0.00 0.00 0.00 43.42 42.39 1s4e n LEU 302 CO 0.12 -2.28 -0.41 0.28 -0.00 0.00 0.00 177.39 175.10 1s4e s THR 303 N -2.59 0.56 0.00 1.47 -1.32 -0.83 -4.68 115.64 108.25 1s4e s THR 303 Ca 0.66 -0.60 0.00 0.00 -1.21 0.00 0.00 61.69 60.55 1s4e s THR 303 Cb -0.23 -0.53 0.00 0.00 -1.51 0.00 0.00 72.50 70.23 1s4e s THR 303 CO 0.59 -0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.56 1s4e n GLY 304 N 2.36 -0.27 0.16 6.08 0.00 -1.26 -4.43 105.19 107.82 1s4e n GLY 304 Ca -0.17 -1.27 -0.17 0.00 0.00 0.00 0.00 46.02 44.41 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 0.13 0.00 4.61 0.00 -1.94 -3.45 119.26 118.62 1s4e h ALA 305 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1s4e h ALA 305 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1s4e h ALA 305 CO 0.00 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.09 1s4e n GLY 306 N 0.94 -0.03 2.53 0.00 0.00 -1.26 -4.87 105.19 102.50 1s4e n GLY 306 Ca -0.10 -2.24 -0.16 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.17 0.00 1.61 3.01 0.12 -4.54 117.46 116.49 1s4e n PHE 307 Ca 0.00 0.23 0.00 0.00 1.01 0.00 0.00 57.45 58.69 1s4e n PHE 307 Cb 0.00 -3.44 0.00 0.00 -0.01 0.00 0.00 39.48 36.03 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 -1.20 0.04 7.00 1.37 0.00 -1.26 -2.85 105.19 108.28 1s4e n GLY 308 Ca -0.12 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.88 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 0.98 3.52 -0.02 0.00 -0.42 -4.89 105.19 104.36 1s4e n GLY 309 Ca 0.00 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 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 3.93 0.31 1.61 0.01 -1.05 -1.50 113.70 113.01 1s4e s SER 310 Ca 0.00 -0.81 0.07 0.00 1.31 0.00 0.00 55.95 56.52 1s4e s SER 310 Cb 0.00 -0.51 -0.06 0.00 0.21 0.00 0.00 66.02 65.65 1s4e s SER 310 CO 0.00 0.06 -0.05 0.00 0.41 0.00 0.00 173.24 173.67 1s4e s ALA 311 N -2.12 2.56 0.26 1.44 0.00 0.06 -1.97 121.76 121.99 1s4e s ALA 311 Ca 0.27 -2.00 0.11 0.00 0.00 0.00 0.00 51.96 50.34 1s4e s ALA 311 Cb -0.07 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 1s4e s ALA 311 CO 0.15 -0.07 -0.16 0.96 0.00 0.00 0.00 175.76 176.64 1s4e s ILE 312 N -2.93 2.70 -0.02 0.00 -4.36 0.19 0.02 121.20 116.79 1s4e s ILE 312 Ca 0.32 -2.21 -0.03 0.00 -0.26 0.00 0.00 60.65 58.47 1s4e s ILE 312 Cb 0.05 -2.40 0.01 0.00 1.25 0.00 0.00 42.46 41.36 1s4e s ILE 312 CO 0.14 -0.33 0.08 0.00 0.24 0.00 0.00 174.94 175.07 1s4e s ALA 313 N -2.30 -0.19 -0.15 2.27 0.00 -0.39 -1.28 121.76 119.72 1s4e s ALA 313 Ca 0.29 0.13 -0.18 0.00 0.00 0.00 0.00 51.96 52.19 1s4e s ALA 313 Cb -0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 1s4e s ALA 313 CO 0.15 -0.07 0.49 -0.51 0.00 0.00 0.00 175.76 175.82 1s4e s LEU 314 N -0.24 4.23 0.03 0.00 1.43 -0.05 -1.05 118.68 123.03 1s4e s LEU 314 Ca -0.03 0.76 -0.17 0.00 -1.03 0.00 0.00 54.13 53.66 1s4e s LEU 314 Cb -0.02 -2.69 0.03 0.00 0.03 0.00 0.00 46.19 43.54 1s4e s LEU 314 CO 0.00 -0.06 0.37 -0.69 0.23 0.00 0.00 176.35 176.21 1s4e s VAL 315 N 0.96 0.06 0.06 -1.59 1.01 -0.98 -0.16 120.40 119.76 1s4e s VAL 315 Ca 0.25 -0.50 -0.31 0.00 0.00 0.00 0.00 61.98 61.43 1s4e s VAL 315 Cb -0.15 -0.87 -0.06 0.00 0.00 0.00 0.00 36.38 35.30 1s4e s VAL 315 CO 0.10 -0.28 1.21 -1.81 0.00 0.00 0.00 175.10 174.33 1s4e s ASP 316 N -1.82 7.06 0.30 3.32 1.01 -1.26 -0.24 116.67 125.03 1s4e s ASP 316 Ca -0.07 2.02 0.01 0.00 0.71 0.00 0.00 52.55 55.22 1s4e s ASP 316 Cb -0.02 -2.58 0.71 0.00 1.01 0.00 0.00 42.92 42.04 1s4e s ASP 316 CO -0.00 -0.49 1.59 0.50 0.21 0.00 0.00 175.17 176.98 1s4e h LYS 317 N 6.84 0.05 -0.26 8.23 3.64 -1.82 0.20 116.57 133.46 1s4e h LYS 317 Ca -0.41 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.93 1s4e h LYS 317 Cb 1.21 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1s4e h LYS 317 CO 0.82 0.03 0.02 -0.44 -2.27 0.00 0.00 179.45 177.62 1s4e h ASP 318 N 0.05 0.35 -0.15 4.20 3.45 -1.91 -2.72 116.42 119.69 1s4e h ASP 318 Ca 0.57 -0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.98 1s4e h ASP 318 Cb 1.16 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.84 1s4e h ASP 318 CO -0.84 0.39 0.00 0.29 -1.57 0.00 0.00 179.24 177.52 1s4e n LYS 319 N -4.35 2.34 -0.02 3.56 4.01 0.56 -4.71 118.16 119.55 1s4e n LYS 319 Ca 0.01 -1.98 -0.11 0.00 -0.51 0.00 0.00 58.31 55.71 1s4e n LYS 319 Cb 0.19 -1.48 -0.06 0.00 -0.51 0.00 0.00 35.03 33.17 1s4e n LYS 319 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1s4e h ALA 320 N 4.62 0.15 -0.62 7.82 0.00 -0.81 -0.52 119.26 129.89 1s4e h ALA 320 Ca 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1s4e h ALA 320 Cb 0.96 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1s4e h ALA 320 CO 0.00 -0.25 0.26 1.57 0.00 0.00 0.00 179.25 180.83 1s4e h LYS 321 N 0.01 0.90 -0.61 0.00 2.10 -1.84 -2.27 116.57 114.86 1s4e h LYS 321 Ca 0.04 -0.14 -0.09 0.00 -2.00 0.00 0.00 60.65 58.46 1s4e h LYS 321 Cb 0.19 -0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 31.34 1s4e h LYS 321 CO -0.00 0.73 0.04 1.15 -2.00 0.00 0.00 179.45 179.36 1s4e h THR 322 N 0.89 1.26 0.11 0.07 2.02 -1.73 -1.50 112.91 114.04 1s4e h THR 322 Ca 0.21 -1.09 -0.20 0.00 0.77 0.00 0.00 66.41 66.11 1s4e h THR 322 Cb 0.15 0.75 0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1s4e h THR 322 CO -0.02 0.40 -0.93 0.40 0.37 0.00 0.00 175.52 175.74 1s4e h ILE 323 N 0.96 1.38 -0.86 3.11 2.04 -1.04 -2.87 117.51 120.22 1s4e h ILE 323 Ca 0.18 -2.46 0.04 0.00 1.00 0.00 0.00 64.86 63.62 1s4e h ILE 323 Cb 0.50 3.04 -0.06 0.00 -0.74 0.00 0.00 36.82 39.56 1s4e h ILE 323 CO 0.02 0.68 0.55 1.23 0.00 0.00 0.00 178.15 180.63 1s4e h GLY 324 N -0.34 1.27 0.78 5.37 0.00 -1.46 0.06 103.07 108.75 1s4e h GLY 324 Ca -0.18 -0.41 0.03 0.00 0.00 0.00 0.00 47.33 46.77 1s4e h GLY 324 CO 0.09 0.32 0.22 -0.55 0.00 0.00 0.00 176.54 176.63 1s4e h ASP 325 N 1.04 0.31 -0.65 0.19 3.32 -1.35 -0.53 116.42 118.75 1s4e h ASP 325 Ca 0.36 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.39 1s4e h ASP 325 Cb 0.07 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1s4e h ASP 325 CO -0.14 0.23 0.27 0.00 -1.72 0.00 0.00 179.24 177.88 1s4e h ALA 326 N 1.23 1.22 -0.04 3.45 0.00 -1.11 -1.87 119.26 122.13 1s4e h ALA 326 Ca 0.19 -0.17 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 1s4e h ALA 326 Cb 0.09 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.63 1s4e h ALA 326 CO -0.13 0.58 -0.95 0.82 0.00 0.00 0.00 179.25 179.56 1s4e h ILE 327 N 0.97 1.30 0.39 0.00 2.04 -0.71 -3.20 117.51 118.30 1s4e h ILE 327 Ca 0.23 -2.20 -0.02 0.00 1.00 0.00 0.00 64.86 63.87 1s4e h ILE 327 Cb 0.18 2.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 1s4e h ILE 327 CO -0.02 0.68 -0.19 0.25 0.00 0.00 0.00 178.15 178.87 1s4e h LEU 328 N 0.40 -0.45 -1.06 1.44 6.46 -0.95 0.34 115.31 121.50 1s4e h LEU 328 Ca -0.10 -0.07 0.19 0.00 -0.12 0.00 0.00 57.88 57.77 1s4e h LEU 328 Cb 1.59 0.12 -0.10 0.00 -0.73 0.00 0.00 40.66 41.54 1s4e h LEU 328 CO 0.19 -0.19 0.61 0.03 -0.62 0.00 0.00 178.44 178.46 1s4e h ARG 329 N -0.69 0.72 0.08 1.25 -0.00 -1.45 0.35 114.38 114.65 1s4e h ARG 329 Ca -0.05 -0.04 -0.30 0.00 -0.50 0.00 0.00 59.98 59.09 1s4e h ARG 329 Cb 0.49 -0.16 -0.02 0.00 0.00 0.00 0.00 29.97 30.28 1s4e h ARG 329 CO 0.09 0.48 -1.54 1.49 0.00 0.00 0.00 179.97 180.49 1s4e h GLU 330 N 0.75 0.18 -0.48 0.04 4.81 -1.52 -2.89 114.58 115.45 1s4e h GLU 330 Ca 0.56 -0.30 -0.11 0.00 -0.13 0.00 0.00 59.36 59.38 1s4e h GLU 330 Cb 0.90 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 1s4e h GLU 330 CO -0.35 0.99 -0.14 -0.92 -0.73 0.00 0.00 179.01 177.86 1s4e h TYR 331 N 0.05 1.03 0.00 0.92 3.20 0.39 -3.03 116.97 119.53 1s4e h TYR 331 Ca -0.24 -0.22 -0.01 0.00 3.14 0.00 0.00 58.73 61.41 1s4e h TYR 331 Cb 1.99 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 40.00 1s4e h TYR 331 CO 0.05 0.99 -0.04 -0.07 -1.64 0.00 0.00 178.16 177.45 1s4e h LEU 332 N 0.82 0.00 0.00 2.82 4.07 -0.40 -1.51 115.31 121.11 1s4e h LEU 332 Ca 0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1s4e h LEU 332 Cb 0.68 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.42 1s4e h LEU 332 CO 0.05 0.04 -0.90 0.00 -1.08 0.00 0.00 178.44 176.55 1s4e n ALA 333 N -2.12 2.79 -0.07 1.53 0.00 -1.09 -4.11 120.51 117.44 1s4e n ALA 333 Ca 0.01 -0.27 -0.11 0.00 0.00 0.00 0.00 53.44 53.07 1s4e n ALA 333 Cb 0.34 -1.10 -0.15 0.00 0.00 0.00 0.00 19.45 18.55 1s4e n ALA 333 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1s4e n LYS 334 N -2.38 0.67 -4.37 0.00 0.00 -1.15 -5.03 118.16 105.90 1s4e n LYS 334 Ca 0.01 0.13 -0.19 0.00 0.00 0.00 0.00 58.31 58.26 1s4e n LYS 334 Cb 0.50 -1.63 -0.10 0.00 0.00 0.00 0.00 35.03 33.80 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 -2.53 1.79 -1.73 5.64 0.40 -0.58 -5.06 117.98 115.90 1s4e s PHE 335 Ca -0.12 -0.60 0.15 0.00 -0.60 0.00 0.00 56.93 55.76 1s4e s PHE 335 Cb 0.07 -0.88 0.22 0.00 0.51 0.00 0.00 43.02 42.94 1s4e s PHE 335 CO 0.80 0.35 1.11 -1.13 0.70 0.00 0.00 175.22 177.04 1s4e n SER 336 N -0.44 2.62 -4.83 1.36 3.41 -1.26 -4.54 113.62 109.94 1s4e n SER 336 Ca -0.07 -1.76 -0.32 0.00 -0.26 0.00 0.00 58.87 56.45 1s4e n SER 336 Cb 0.61 -0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.20 3.32 -1.21 7.33 0.52 -1.26 -4.97 118.94 121.48 1s4e s TRP 337 Ca 0.23 1.47 -0.13 0.00 0.02 0.00 0.00 56.10 57.68 1s4e s TRP 337 Cb 0.14 -2.85 0.18 0.00 -1.15 0.00 0.00 33.47 29.79 1s4e s TRP 337 CO 0.20 -0.63 1.45 1.63 0.02 0.00 0.00 176.95 179.62 1s4e n LYS 338 N -1.83 3.41 -3.22 4.98 4.01 -1.26 -4.93 118.16 119.32 1s4e n LYS 338 Ca 0.07 -3.88 -0.33 0.00 -0.51 0.00 0.00 58.31 53.66 1s4e n LYS 338 Cb 0.54 -2.99 -0.06 0.00 -0.51 0.00 0.00 35.03 32.01 1s4e n LYS 338 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1s4e s ALA 339 N 1.20 3.42 0.14 7.82 0.00 -1.26 -4.46 121.76 128.62 1s4e s ALA 339 Ca 0.42 -0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.38 1s4e s ALA 339 Cb -0.02 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 1s4e s ALA 339 CO -0.00 0.38 -0.07 0.15 0.00 0.00 0.00 175.76 176.22 1s4e s LYS 340 N -2.66 1.01 0.12 0.00 1.02 -1.14 -5.01 119.74 113.08 1s4e s LYS 340 Ca 0.49 -1.44 0.07 0.00 0.02 0.00 0.00 55.97 55.11 1s4e s LYS 340 Cb -0.12 -0.43 -0.04 0.00 -0.52 0.00 0.00 37.83 36.72 1s4e s LYS 340 CO 0.19 0.00 -0.16 1.52 -0.92 0.00 0.00 175.35 175.99 1s4e s TYR 341 N -3.48 1.51 0.05 3.18 -0.85 -1.26 -1.34 117.35 115.16 1s4e s TYR 341 Ca 0.17 -0.51 0.06 0.00 -0.52 0.00 0.00 57.07 56.27 1s4e s TYR 341 Cb 0.04 -0.79 -0.03 0.00 0.38 0.00 0.00 41.96 41.57 1s4e s TYR 341 CO -0.00 0.18 -0.18 -0.06 -1.52 0.00 0.00 175.55 173.97 1s4e s PHE 342 N -1.90 1.57 -0.19 -3.49 0.40 -0.15 -4.99 117.98 109.23 1s4e s PHE 342 Ca 0.09 -0.37 -0.13 0.00 -0.60 0.00 0.00 56.93 55.91 1s4e s PHE 342 Cb -0.06 -0.92 -0.05 0.00 0.51 0.00 0.00 43.02 42.50 1s4e s PHE 342 CO 0.04 0.08 0.27 0.08 0.70 0.00 0.00 175.22 176.39 1s4e s VAL 343 N -0.88 5.31 -0.02 -0.44 1.01 -1.26 -1.17 120.40 122.95 1s4e s VAL 343 Ca 0.05 0.47 0.04 0.00 0.00 0.00 0.00 61.98 62.54 1s4e s VAL 343 Cb -0.09 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1s4e s VAL 343 CO 0.02 0.36 -0.14 0.54 0.00 0.00 0.00 175.10 175.88 1s4e s VAL 344 N 0.72 1.15 -0.10 2.92 0.11 -0.78 -5.01 120.40 119.41 1s4e s VAL 344 Ca 0.14 -0.60 -0.02 0.00 -2.93 0.00 0.00 61.98 58.58 1s4e s VAL 344 Cb -0.13 -0.97 -0.03 0.00 -1.53 0.00 0.00 36.38 33.72 1s4e s VAL 344 CO 0.04 0.33 -0.02 -1.59 -3.33 0.00 0.00 175.10 170.53 1s4e s LYS 345 N -0.16 3.15 0.73 1.54 -2.85 -1.26 -3.72 119.74 117.18 1s4e s LYS 345 Ca 0.02 -0.46 -0.16 0.00 -1.00 0.00 0.00 55.97 54.37 1s4e s LYS 345 Cb -0.07 -2.80 0.03 0.00 -2.06 0.00 0.00 37.83 32.93 1s4e s LYS 345 CO 0.00 0.56 1.18 -2.30 0.10 0.00 0.00 175.35 174.89 1s4e n PRO 346 N 2.58 0.58 -3.87 1.78 -0.02 -1.26 -3.04 135.00 131.75 1s4e n PRO 346 Ca -0.18 0.26 -0.09 0.00 -2.02 0.00 0.00 63.50 61.47 1s4e n PRO 346 Cb 0.53 -2.42 -0.06 0.00 -0.02 0.00 0.00 33.50 31.53 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 -1.75 -0.03 0.67 2.55 0.15 -0.42 -4.39 113.70 110.49 1s4e s SER 347 Ca 0.77 -0.70 -0.15 0.00 0.70 0.00 0.00 55.95 56.56 1s4e s SER 347 Cb -0.33 0.45 0.01 0.00 -1.71 0.00 0.00 66.02 64.43 1s4e s SER 347 CO 0.47 -0.89 1.15 -1.81 1.20 0.00 0.00 173.24 173.36 1s4e s ASP 348 N -2.91 4.82 0.68 5.45 1.01 -1.26 -2.21 116.67 122.24 1s4e s ASP 348 Ca 0.12 2.16 -0.02 0.00 0.71 0.00 0.00 52.55 55.51 1s4e s ASP 348 Cb 0.03 -2.57 0.10 0.00 1.01 0.00 0.00 42.92 41.49 1s4e s ASP 348 CO -0.04 -1.83 0.68 0.61 0.21 0.00 0.00 175.17 174.80 1s4e n GLY 349 N -0.10 0.30 0.00 0.21 0.00 0.04 -4.71 105.19 100.93 1s4e n GLY 349 Ca 0.12 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1s4e n GLY 349 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65