#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 4.30 0.26 -1.46 1.02 -1.26 -4.35 119.74 118.25 1s4e s LYS 3 Ca 0.00 1.70 0.11 0.00 0.02 0.00 0.00 55.97 57.80 1s4e s LYS 3 Cb 0.00 -3.64 -0.05 0.00 -0.52 0.00 0.00 37.83 33.62 1s4e s LYS 3 CO 0.00 -0.56 -0.19 0.96 -0.92 0.00 0.00 175.35 174.64 1s4e s ILE 4 N 2.72 2.33 -0.12 2.17 -4.36 -0.33 -4.92 121.20 118.69 1s4e s ILE 4 Ca 0.56 -2.36 0.03 0.00 -0.26 0.00 0.00 60.65 58.62 1s4e s ILE 4 Cb -0.24 -2.24 0.01 0.00 1.25 0.00 0.00 42.46 41.23 1s4e s ILE 4 CO 0.20 -0.43 -0.21 -0.89 0.24 0.00 0.00 174.94 173.85 1s4e s THR 5 N -2.57 1.92 -0.19 8.37 2.01 -1.26 -0.91 115.64 123.00 1s4e s THR 5 Ca 0.28 -0.91 -0.01 0.00 0.31 0.00 0.00 61.69 61.36 1s4e s THR 5 Cb -0.04 -1.69 0.01 0.00 0.01 0.00 0.00 72.50 70.79 1s4e s THR 5 CO 0.13 0.52 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.75 1s4e s VAL 6 N 0.68 2.53 -0.10 3.82 1.01 -0.49 -4.62 120.40 123.24 1s4e s VAL 6 Ca -0.11 -0.78 -0.21 0.00 0.00 0.00 0.00 61.98 60.88 1s4e s VAL 6 Cb -0.16 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1s4e s VAL 6 CO 0.02 0.50 0.58 -0.54 0.00 0.00 0.00 175.10 175.66 1s4e s LYS 7 N 1.33 4.38 -0.14 2.72 3.01 -0.84 -1.25 119.74 128.94 1s4e s LYS 7 Ca 0.05 0.65 -0.01 0.00 -1.01 0.00 0.00 55.97 55.65 1s4e s LYS 7 Cb -0.14 -3.45 0.04 0.00 -1.01 0.00 0.00 37.83 33.27 1s4e s LYS 7 CO -0.09 0.10 -0.04 0.45 0.51 0.00 0.00 175.35 176.28 1s4e s SER 8 N 0.73 2.52 0.81 2.83 0.15 0.13 -2.70 113.70 118.16 1s4e s SER 8 Ca 0.31 -0.52 -0.11 0.00 0.70 0.00 0.00 55.95 56.34 1s4e s SER 8 Cb -0.16 -0.81 0.08 0.00 -1.71 0.00 0.00 66.02 63.42 1s4e s SER 8 CO 0.14 -0.18 1.09 -2.16 1.20 0.00 0.00 173.24 173.32 1s4e s PRO 9 N 1.72 1.95 0.00 5.44 0.04 -1.26 -1.45 135.00 141.43 1s4e s PRO 9 Ca 0.02 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1s4e s PRO 9 Cb -0.14 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1s4e s PRO 9 CO -0.08 -1.80 0.00 0.41 0.04 0.00 0.00 177.00 175.58 1s4e n GLY 10 N -1.38 0.75 3.43 0.56 0.00 -0.47 -4.33 105.19 103.75 1s4e n GLY 10 Ca 0.08 -1.92 -0.10 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 -1.08 1.26 0.01 1.61 1.04 -0.10 -2.02 118.95 119.66 1s4e s ARG 11 Ca 0.00 -0.77 -0.04 0.00 -1.04 0.00 0.00 55.73 53.88 1s4e s ARG 11 Cb 0.00 0.51 -0.01 0.00 -2.04 0.00 0.00 34.95 33.41 1s4e s ARG 11 CO 0.00 -0.52 0.07 0.54 -0.04 0.00 0.00 175.30 175.35 1s4e s VAL 12 N -3.84 0.08 -0.18 4.99 0.11 -1.26 -4.43 120.40 115.88 1s4e s VAL 12 Ca 0.06 -0.70 -0.04 0.00 -2.93 0.00 0.00 61.98 58.38 1s4e s VAL 12 Cb 0.00 -0.34 -0.02 0.00 -1.53 0.00 0.00 36.38 34.49 1s4e s VAL 12 CO -0.07 -0.38 -0.04 0.21 -3.33 0.00 0.00 175.10 171.48 1s4e s ASN 13 N -1.26 4.61 -0.02 3.54 2.47 -1.26 -4.42 114.94 118.60 1s4e s ASN 13 Ca -0.14 -0.22 -0.20 0.00 0.42 0.00 0.00 52.86 52.72 1s4e s ASN 13 Cb -0.08 -1.76 -0.32 0.00 -1.45 0.00 0.00 41.25 37.64 1s4e s ASN 13 CO 0.00 0.11 0.95 0.25 -3.72 0.00 0.00 177.10 174.69 1s4e h LEU 14 N 7.16 0.60 -7.00 3.21 5.85 -1.97 -3.45 115.31 119.71 1s4e h LEU 14 Ca -0.33 -0.92 0.03 0.00 0.84 0.00 0.00 57.88 57.49 1s4e h LEU 14 Cb 1.19 -0.19 -0.17 0.00 0.37 0.00 0.00 40.66 41.85 1s4e h LEU 14 CO 0.61 1.47 0.36 -0.51 -0.34 0.00 0.00 178.44 180.03 1s4e s ILE 15 N -2.57 0.00 0.00 4.05 1.10 -1.26 -4.94 121.20 117.58 1s4e s ILE 15 Ca -0.12 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.02 1s4e s ILE 15 Cb 0.02 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.63 1s4e s ILE 15 CO 0.87 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 174.31 1s4e n GLY 16 N 0.28 0.69 3.54 1.50 0.00 -1.26 -4.63 105.19 105.31 1s4e n GLY 16 Ca -0.14 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.30 2.93 -1.36 1.61 2.56 -1.26 -4.40 118.70 116.47 1s4e s GLU 17 Ca 0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 54.97 54.35 1s4e s GLU 17 Cb 0.00 -2.62 0.03 0.00 2.00 0.00 0.00 34.13 33.53 1s4e s GLU 17 CO 0.00 0.55 0.86 0.72 -0.56 0.00 0.00 175.26 176.83 1s4e n HIS 18 N 2.56 -2.15 0.00 5.30 8.25 -1.26 -4.90 115.22 123.02 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 0.53 -4.42 0.00 0.00 1.12 0.00 0.00 29.99 27.22 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 -4.44 0.00 0.05 1.59 5.66 -1.26 -4.83 114.28 111.05 1s4e n THR 19 Ca -0.17 -0.11 -0.00 0.00 -3.05 0.00 0.00 64.05 60.72 1s4e n THR 19 Cb 0.62 0.57 -0.07 0.00 -1.55 0.00 0.00 70.33 69.90 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 0.10 1.09 -0.00 -1.86 -1.49 116.42 114.26 1s4e h ASP 20 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1s4e h ASP 20 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 1s4e h ASP 20 CO 0.00 0.61 0.00 0.00 -0.00 0.00 0.00 179.24 179.85 1s4e n TYR 21 N -2.99 0.00 -0.92 4.15 0.18 -1.26 -2.15 117.16 114.17 1s4e n TYR 21 Ca -0.07 0.00 0.09 0.00 1.88 0.00 0.00 57.90 59.79 1s4e n TYR 21 Cb 0.84 -0.07 0.15 0.00 -0.38 0.00 0.00 39.34 39.87 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 -1.07 1.84 -3.13 -3.48 -2.24 -1.17 -4.85 114.28 100.18 1s4e n THR 22 Ca 0.16 -2.03 -0.14 0.00 -2.27 0.00 0.00 64.05 59.77 1s4e n THR 22 Cb 0.11 -0.14 0.06 0.00 -2.10 0.00 0.00 70.33 68.26 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 -1.77 -2.66 4.78 4.02 -0.92 -0.93 117.16 118.57 1s4e n TYR 23 Ca 0.15 0.70 0.00 0.00 -0.01 0.00 0.00 57.90 58.74 1s4e n TYR 23 Cb 0.64 -4.13 0.00 0.00 -0.02 0.00 0.00 39.34 35.83 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 -1.28 4.00 3.91 2.72 0.00 -0.57 -3.74 105.19 110.23 1s4e n GLY 24 Ca -0.13 -2.07 -0.29 0.00 0.00 0.00 0.00 46.02 43.53 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 1.24 3.48 0.00 1.61 1.51 -1.26 -1.92 117.35 122.00 1s4e s TYR 25 Ca 0.00 0.49 0.00 0.00 -1.01 0.00 0.00 57.07 56.55 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 0.35 0.00 1.55 -1.11 0.00 0.00 175.55 176.34 1s4e n VAL 26 N -0.48 0.00 -1.66 0.71 3.14 -0.43 -4.55 118.33 115.06 1s4e n VAL 26 Ca -0.03 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 1s4e n VAL 26 Cb 0.53 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 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 -4.23 1.45 -0.04 -1.15 -0.92 135.00 130.10 1s4e n PRO 28 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 1s4e n PRO 28 Cb 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.37 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 3.07 0.22 0.55 0.00 -1.26 -0.94 121.76 122.40 1s4e s ALA 30 Ca 0.00 -1.36 0.09 0.00 0.00 0.00 0.00 51.96 50.69 1s4e s ALA 30 Cb 0.00 -0.90 -0.05 0.00 0.00 0.00 0.00 23.12 22.18 1s4e s ALA 30 CO 0.00 0.53 -0.16 0.96 0.00 0.00 0.00 175.76 177.08 1s4e s ILE 31 N -1.58 1.97 -0.79 0.00 -4.36 -0.85 -0.39 121.20 115.20 1s4e s ILE 31 Ca 0.25 -2.25 -0.05 0.00 -0.26 0.00 0.00 60.65 58.34 1s4e s ILE 31 Cb -0.10 -2.10 0.01 0.00 1.25 0.00 0.00 42.46 41.52 1s4e s ILE 31 CO 0.16 -0.51 2.80 -0.90 0.24 0.00 0.00 174.94 176.73 1s4e n ASP 32 N -0.39 7.03 -4.12 4.36 5.75 -1.19 -3.86 116.55 124.12 1s4e n ASP 32 Ca -0.08 -3.01 -0.23 0.00 -0.01 0.00 0.00 54.79 51.46 1s4e n ASP 32 Cb 0.60 -1.34 -0.15 0.00 -1.03 0.00 0.00 41.12 39.20 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 -1.59 2.02 0.06 -2.12 1.43 -1.26 -4.96 118.68 112.26 1s4e s LEU 33 Ca 0.60 -0.27 0.02 0.00 -1.03 0.00 0.00 54.13 53.44 1s4e s LEU 33 Cb 0.29 -0.77 -0.03 0.00 0.03 0.00 0.00 46.19 45.70 1s4e s LEU 33 CO -0.13 0.18 -0.06 -0.31 0.23 0.00 0.00 176.35 176.25 1s4e s TYR 34 N -0.33 0.72 -0.21 0.29 1.51 -1.26 -1.37 117.35 116.70 1s4e s TYR 34 Ca 0.05 -0.73 -0.12 0.00 -1.01 0.00 0.00 57.07 55.26 1s4e s TYR 34 Cb -0.06 -0.43 -0.05 0.00 -0.11 0.00 0.00 41.96 41.31 1s4e s TYR 34 CO -0.00 -0.15 0.23 0.99 -1.11 0.00 0.00 175.55 175.51 1s4e s THR 35 N -2.58 5.33 -0.14 -0.71 2.01 -0.53 -0.27 115.64 118.75 1s4e s THR 35 Ca 0.00 0.37 -0.03 0.00 0.31 0.00 0.00 61.69 62.34 1s4e s THR 35 Cb -0.02 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 1s4e s THR 35 CO -0.03 0.36 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.58 1s4e s ILE 36 N 0.83 3.83 -0.21 1.82 1.01 0.01 -0.70 121.20 127.79 1s4e s ILE 36 Ca 0.12 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.39 1s4e s ILE 36 Cb -0.13 -2.66 0.05 0.00 0.01 0.00 0.00 42.46 39.73 1s4e s ILE 36 CO 0.04 0.51 -0.07 -0.63 0.00 0.00 0.00 174.94 174.79 1s4e s ILE 37 N 0.22 1.49 -0.25 2.92 1.01 -0.38 -0.59 121.20 125.62 1s4e s ILE 37 Ca -0.03 -1.07 -0.10 0.00 0.00 0.00 0.00 60.65 59.45 1s4e s ILE 37 Cb -0.14 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 1s4e s ILE 37 CO 0.03 0.00 0.15 -0.89 0.00 0.00 0.00 174.94 174.23 1s4e s THR 38 N 1.43 5.11 0.07 2.92 2.01 -1.04 -1.39 115.64 124.75 1s4e s THR 38 Ca -0.04 0.10 -0.18 0.00 0.31 0.00 0.00 61.69 61.88 1s4e s THR 38 Cb -0.18 -3.40 0.04 0.00 0.01 0.00 0.00 72.50 68.98 1s4e s THR 38 CO -0.07 0.32 0.43 0.00 -0.69 0.00 0.00 174.62 174.61 1s4e s ALA 39 N 1.35 -1.05 0.28 7.40 0.00 -0.09 -2.04 121.76 127.61 1s4e s ALA 39 Ca 0.07 0.26 0.07 0.00 0.00 0.00 0.00 51.96 52.35 1s4e s ALA 39 Cb -0.15 0.46 -0.06 0.00 0.00 0.00 0.00 23.12 23.37 1s4e s ALA 39 CO 0.06 -0.52 -0.07 -1.83 0.00 0.00 0.00 175.76 173.41 1s4e s GLU 40 N -2.86 1.55 0.40 0.00 -1.05 -0.60 -1.18 118.70 114.97 1s4e s GLU 40 Ca -0.03 -1.78 -0.26 0.00 -0.15 0.00 0.00 54.97 52.75 1s4e s GLU 40 Cb -0.00 -1.19 -0.10 0.00 -0.44 0.00 0.00 34.13 32.40 1s4e s GLU 40 CO -0.05 0.05 1.31 1.63 0.95 0.00 0.00 175.26 179.16 1s4e n LYS 41 N -0.58 2.08 -3.71 -4.83 5.02 -1.26 -1.10 118.16 113.77 1s4e n LYS 41 Ca -0.06 0.74 -0.12 0.00 -2.02 0.00 0.00 58.31 56.85 1s4e n LYS 41 Cb 0.63 -2.43 -0.07 0.00 -0.02 0.00 0.00 35.03 33.15 1s4e n LYS 41 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1s4e s TYR 42 N -1.17 -0.15 0.42 2.13 5.04 -1.09 -4.66 117.35 117.87 1s4e s TYR 42 Ca 0.59 0.00 0.30 0.00 -2.44 0.00 0.00 57.07 55.52 1s4e s TYR 42 Cb -0.51 0.15 1.57 0.00 0.35 0.00 0.00 41.96 43.52 1s4e s TYR 42 CO 0.59 -0.56 2.11 -0.44 -1.34 0.00 0.00 175.55 175.92 1s4e h ASP 43 N 3.00 0.00 -1.91 4.32 5.19 -1.93 -2.40 116.42 122.69 1s4e h ASP 43 Ca -0.32 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.09 1s4e h ASP 43 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1s4e h ASP 43 CO 0.46 0.09 0.00 2.29 -3.12 0.00 0.00 179.24 178.96 1s4e n LYS 44 N -3.55 0.38 -3.99 3.56 2.85 -1.26 -4.61 118.16 111.54 1s4e n LYS 44 Ca -0.02 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.89 1s4e n LYS 44 Cb 0.22 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.51 1s4e n LYS 44 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1s4e s VAL 45 N -1.68 5.00 -0.23 0.58 1.01 -0.65 -1.91 120.40 122.51 1s4e s VAL 45 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 1s4e s VAL 45 Cb 0.00 -3.21 0.12 0.00 0.00 0.00 0.00 36.38 33.29 1s4e s VAL 45 CO 0.00 0.53 0.29 -1.58 0.00 0.00 0.00 175.10 174.34 1s4e s GLN 46 N -0.24 0.27 -0.07 2.72 0.74 -0.43 -1.92 119.66 120.74 1s4e s GLN 46 Ca 0.09 0.26 0.04 0.00 0.05 0.00 0.00 55.36 55.79 1s4e s GLN 46 Cb -0.12 -0.84 0.00 0.00 1.10 0.00 0.00 33.01 33.15 1s4e s GLN 46 CO 0.01 -0.73 -0.19 -0.51 -0.55 0.00 0.00 175.29 173.32 1s4e s LEU 47 N 2.41 1.93 -0.07 3.68 1.43 -0.74 -1.65 118.68 125.67 1s4e s LEU 47 Ca 0.09 -0.43 -0.18 0.00 -1.03 0.00 0.00 54.13 52.58 1s4e s LEU 47 Cb -0.15 -1.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.88 1s4e s LEU 47 CO -0.17 0.14 0.50 -0.47 0.23 0.00 0.00 176.35 176.58 1s4e s TYR 48 N 0.24 3.59 -0.36 0.29 5.04 -0.64 -1.23 117.35 124.29 1s4e s TYR 48 Ca -0.11 1.00 -0.08 0.00 -2.44 0.00 0.00 57.07 55.44 1s4e s TYR 48 Cb -0.15 -2.53 0.04 0.00 0.35 0.00 0.00 41.96 39.67 1s4e s TYR 48 CO 0.05 0.29 0.14 0.45 -1.34 0.00 0.00 175.55 175.14 1s4e s SER 49 N 0.15 5.44 0.34 4.32 0.15 -0.09 -0.33 113.70 123.68 1s4e s SER 49 Ca 0.27 -1.17 0.08 0.00 0.70 0.00 0.00 55.95 55.84 1s4e s SER 49 Cb -0.16 -1.91 0.79 0.00 -1.71 0.00 0.00 66.02 63.03 1s4e s SER 49 CO 0.13 -0.37 1.85 -0.08 1.20 0.00 0.00 173.24 175.97 1s4e h GLU 50 N 8.28 0.70 -0.23 5.44 4.81 -1.64 0.11 114.58 132.05 1s4e h GLU 50 Ca -0.23 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1s4e h GLU 50 Cb 1.09 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1s4e h GLU 50 CO 0.63 0.46 0.14 1.25 -0.73 0.00 0.00 179.01 180.76 1s4e h HIS 51 N 0.72 0.31 -0.01 0.92 2.76 -1.94 -2.98 115.15 114.92 1s4e h HIS 51 Ca 0.48 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.65 1s4e h HIS 51 Cb 0.76 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.62 1s4e h HIS 51 CO -0.00 0.25 -0.14 1.19 -1.30 0.00 0.00 177.93 177.93 1s4e n PHE 52 N -4.89 0.00 -4.16 5.26 3.01 -1.03 -4.96 117.46 110.69 1s4e n PHE 52 Ca -0.03 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.14 1s4e n PHE 52 Cb 0.06 -0.11 -0.06 0.00 -0.01 0.00 0.00 39.48 39.36 1s4e n PHE 52 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1s4e n ASN 53 N -0.59 0.19 -3.75 4.37 0.23 0.36 -4.98 115.26 111.09 1s4e n ASN 53 Ca 0.15 -1.17 -0.13 0.00 -0.53 0.00 0.00 54.58 52.90 1s4e n ASN 53 Cb 0.31 -2.19 -0.09 0.00 -2.08 0.00 0.00 39.78 35.73 1s4e n ASN 53 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 1s4e s GLU 54 N -7.05 0.57 -0.16 -3.83 -1.05 -1.07 -4.98 118.70 101.13 1s4e s GLU 54 Ca 0.03 0.09 -0.06 0.00 -0.15 0.00 0.00 54.97 54.87 1s4e s GLU 54 Cb -0.01 0.26 -0.04 0.00 -0.44 0.00 0.00 34.13 33.90 1s4e s GLU 54 CO 0.95 -0.13 0.05 -2.00 0.95 0.00 0.00 175.26 175.08 1s4e s GLU 55 N -0.72 3.76 0.12 -4.83 2.12 -1.26 -0.91 118.70 116.98 1s4e s GLU 55 Ca -0.08 -0.35 0.09 0.00 0.36 0.00 0.00 54.97 54.98 1s4e s GLU 55 Cb -0.04 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.19 1s4e s GLU 55 CO 0.03 0.38 -0.21 0.15 -0.54 0.00 0.00 175.26 175.07 1s4e s LYS 56 N 0.06 1.19 0.05 4.30 1.02 -0.36 -4.97 119.74 121.02 1s4e s LYS 56 Ca 0.05 -1.24 -0.01 0.00 0.02 0.00 0.00 55.97 54.78 1s4e s LYS 56 Cb -0.12 -1.42 -0.04 0.00 -0.52 0.00 0.00 37.83 35.73 1s4e s LYS 56 CO 0.01 0.32 -0.02 0.95 -0.92 0.00 0.00 175.35 175.69 1s4e s THR 57 N -1.38 0.20 -0.21 2.17 -4.23 -1.26 -1.79 115.64 109.14 1s4e s THR 57 Ca 0.10 -1.68 -0.27 0.00 -1.18 0.00 0.00 61.69 58.66 1s4e s THR 57 Cb -0.09 -1.36 0.09 0.00 1.34 0.00 0.00 72.50 72.48 1s4e s THR 57 CO 0.05 -0.93 0.81 0.72 -0.54 0.00 0.00 174.62 174.74 1s4e s PHE 58 N -3.60 -0.64 0.81 3.99 -0.12 -0.81 -5.00 117.98 112.60 1s4e s PHE 58 Ca 0.04 1.42 -0.12 0.00 -0.05 0.00 0.00 56.93 58.22 1s4e s PHE 58 Cb 0.06 0.34 0.08 0.00 -0.63 0.00 0.00 43.02 42.87 1s4e s PHE 58 CO -0.09 -0.40 1.12 0.95 -0.05 0.00 0.00 175.22 176.75 1s4e s THR 59 N -0.20 2.78 -1.22 -4.49 -4.23 -1.26 -1.64 115.64 105.38 1s4e s THR 59 Ca -0.02 0.25 0.29 0.00 -1.18 0.00 0.00 61.69 61.03 1s4e s THR 59 Cb -0.03 -3.08 0.38 0.00 1.34 0.00 0.00 72.50 71.11 1s4e s THR 59 CO 0.02 -0.33 1.98 0.18 -0.54 0.00 0.00 174.62 175.92 1s4e n LEU 60 N -3.41 0.00 -0.30 4.79 4.32 -1.26 -2.06 117.00 119.08 1s4e n LEU 60 Ca 0.07 0.39 0.12 0.00 -0.02 0.00 0.00 56.01 56.57 1s4e n LEU 60 Cb 0.58 -0.39 0.14 0.00 -1.62 0.00 0.00 43.42 42.13 1s4e n LEU 60 CO 0.57 -0.01 0.40 -0.90 -1.22 0.00 0.00 177.39 176.23 1s4e n ASP 61 N -1.39 1.40 -3.92 -1.43 5.75 -1.26 -4.65 116.55 111.04 1s4e n ASP 61 Ca 0.11 -1.11 -0.43 0.00 -0.01 0.00 0.00 54.79 53.35 1s4e n ASP 61 Cb 0.28 0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.78 1s4e n ASP 61 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1s4e n ASN 62 N -0.57 5.03 -3.67 -1.12 4.05 -0.88 -4.88 115.26 113.22 1s4e n ASN 62 Ca 0.09 -3.08 -0.40 0.00 0.45 0.00 0.00 54.58 51.64 1s4e n ASN 62 Cb 0.40 -1.50 0.01 0.00 1.23 0.00 0.00 39.78 39.92 1s4e n ASN 62 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1s4e n LEU 63 N 4.20 6.93 -4.34 1.20 4.77 -1.26 -4.78 117.00 123.71 1s4e n LEU 63 Ca 0.40 -5.37 -0.32 0.00 -0.03 0.00 0.00 56.01 50.69 1s4e n LEU 63 Cb 0.37 -1.15 -0.15 0.00 -2.33 0.00 0.00 43.42 40.16 1s4e n LEU 63 CO 0.80 1.99 -0.49 -0.89 -1.33 0.00 0.00 177.39 177.48 1s4e s THR 64 N -3.98 2.69 0.19 -5.08 2.01 -1.26 -5.04 115.64 105.17 1s4e s THR 64 Ca 0.38 -0.81 -0.33 0.00 0.31 0.00 0.00 61.69 61.24 1s4e s THR 64 Cb 0.16 -2.08 -0.14 0.00 0.01 0.00 0.00 72.50 70.46 1s4e s THR 64 CO -0.08 0.55 1.51 1.17 -0.69 0.00 0.00 174.62 177.08 1s4e n LYS 65 N 3.23 2.10 -0.00 4.92 4.81 -1.26 -4.89 118.16 127.07 1s4e n LYS 65 Ca -0.18 0.75 0.05 0.00 -0.87 0.00 0.00 58.31 58.07 1s4e n LYS 65 Cb 0.53 -2.48 -0.07 0.00 0.02 0.00 0.00 35.03 33.02 1s4e n LYS 65 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1s4e n GLU 66 N 2.83 2.09 -2.04 1.64 1.02 -1.26 -5.01 120.64 119.91 1s4e n GLU 66 Ca 0.15 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1s4e n GLU 66 Cb 0.30 -1.13 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 1s4e n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s4e n GLY 67 N 1.51 0.50 3.53 0.62 0.00 -1.26 -5.07 105.19 105.02 1s4e n GLY 67 Ca 0.00 -0.84 -0.15 0.00 0.00 0.00 0.00 46.02 45.04 1s4e n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s4e s SER 68 N -2.98 0.96 0.57 1.61 1.04 -1.26 -5.03 113.70 108.61 1s4e s SER 68 Ca 0.00 -1.52 0.27 0.00 0.48 0.00 0.00 55.95 55.18 1s4e s SER 68 Cb 0.00 0.71 1.65 0.00 0.10 0.00 0.00 66.02 68.48 1s4e s SER 68 CO 0.00 -1.39 2.17 4.11 0.98 0.00 0.00 173.24 179.11 1s4e h TRP 69 N 2.05 0.00 0.00 5.02 5.08 -2.04 -0.15 115.95 125.91 1s4e h TRP 69 Ca -0.29 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.68 1s4e h TRP 69 Cb 1.24 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.40 1s4e h TRP 69 CO 1.67 0.00 0.00 0.97 -1.28 0.00 0.00 178.44 179.80 1s4e h ILE 70 N 0.00 0.00 -0.17 0.12 6.09 -1.99 -2.53 117.51 119.03 1s4e h ILE 70 Ca 0.04 -0.08 -0.04 0.00 -1.37 0.00 0.00 64.86 63.42 1s4e h ILE 70 Cb 0.22 0.73 -0.01 0.00 0.47 0.00 0.00 36.82 38.22 1s4e h ILE 70 CO -0.00 0.00 -0.07 0.44 -3.07 0.00 0.00 178.15 175.45 1s4e h ASP 71 N 0.00 0.24 -0.41 2.19 3.32 -1.40 -1.19 116.42 119.17 1s4e h ASP 71 Ca 0.00 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 1s4e h ASP 71 Cb 0.10 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1s4e h ASP 71 CO 0.00 0.34 0.03 1.88 -1.72 0.00 0.00 179.24 179.77 1s4e h TYR 72 N 0.25 0.83 0.03 4.55 -1.99 -1.67 0.14 116.97 119.11 1s4e h TYR 72 Ca 0.05 -0.11 -0.00 0.00 2.00 0.00 0.00 58.73 60.68 1s4e h TYR 72 Cb 0.28 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 38.78 1s4e h TYR 72 CO 0.00 0.76 -0.01 0.28 -0.00 0.00 0.00 178.16 179.19 1s4e h VAL 73 N 0.74 1.36 -0.97 -2.88 2.07 -1.55 -2.76 116.25 112.26 1s4e h VAL 73 Ca 0.15 -1.28 0.11 0.00 0.82 0.00 0.00 66.70 66.50 1s4e h VAL 73 Cb 0.41 2.21 -0.08 0.00 -1.52 0.00 0.00 31.29 32.31 1s4e h VAL 73 CO 0.01 0.32 0.61 0.11 0.02 0.00 0.00 177.57 178.64 1s4e h LYS 74 N -0.60 0.96 -0.62 1.57 1.57 -1.11 -1.45 116.57 116.89 1s4e h LYS 74 Ca -0.00 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1s4e h LYS 74 Cb 0.56 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1s4e h LYS 74 CO 0.01 0.63 0.17 0.78 -0.57 0.00 0.00 179.45 180.48 1s4e h GLY 75 N 0.99 1.03 1.22 3.86 0.00 -0.73 -0.01 103.07 109.42 1s4e h GLY 75 Ca 0.47 -0.60 -0.15 0.00 0.00 0.00 0.00 47.33 47.05 1s4e h GLY 75 CO -0.25 0.56 -0.37 -2.08 0.00 0.00 0.00 176.54 174.40 1s4e h VAL 76 N 0.92 1.28 -0.45 4.60 2.07 -0.97 -1.18 116.25 122.51 1s4e h VAL 76 Ca 0.20 -1.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.14 1s4e h VAL 76 Cb 0.29 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1s4e h VAL 76 CO -0.00 0.51 0.11 -0.07 0.02 0.00 0.00 177.57 178.14 1s4e h LEU 77 N 0.71 0.67 -0.52 2.57 4.07 -1.18 -1.83 115.31 119.80 1s4e h LEU 77 Ca 0.06 -0.23 -0.01 0.00 0.08 0.00 0.00 57.88 57.78 1s4e h LEU 77 Cb 0.94 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.48 1s4e h LEU 77 CO 0.09 0.73 0.28 -0.25 -1.08 0.00 0.00 178.44 178.20 1s4e h TRP 78 N 0.59 0.72 -0.54 1.13 7.01 -0.80 -1.12 115.95 122.95 1s4e h TRP 78 Ca 0.14 -0.02 -0.12 0.00 2.11 0.00 0.00 58.89 61.00 1s4e h TRP 78 Cb 0.31 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.12 1s4e h TRP 78 CO 0.02 0.54 -0.13 -0.24 -2.79 0.00 0.00 178.44 175.84 1s4e h VAL 79 N 0.69 1.27 -0.53 2.65 3.04 -1.05 -1.94 116.25 120.38 1s4e h VAL 79 Ca 0.18 -1.30 -0.08 0.00 -1.01 0.00 0.00 66.70 64.50 1s4e h VAL 79 Cb 0.07 0.99 -0.02 0.00 -2.01 0.00 0.00 31.29 30.31 1s4e h VAL 79 CO -0.03 0.46 0.02 -0.07 -1.01 0.00 0.00 177.57 176.94 1s4e h LEU 80 N 0.91 0.85 -0.62 3.16 3.38 -0.93 -2.43 115.31 119.64 1s4e h LEU 80 Ca 0.14 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1s4e h LEU 80 Cb 0.71 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1s4e h LEU 80 CO 0.05 0.90 0.13 0.40 0.09 0.00 0.00 178.44 180.01 1s4e h ILE 81 N 0.83 1.26 0.00 1.22 2.04 -1.02 -1.41 117.51 120.42 1s4e h ILE 81 Ca 0.16 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 1s4e h ILE 81 Cb 0.46 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1s4e h ILE 81 CO 0.02 0.36 -0.11 1.56 0.00 0.00 0.00 178.15 179.98 1s4e h GLN 82 N 0.92 0.00 0.00 2.37 1.08 -0.97 -1.32 115.11 117.19 1s4e h GLN 82 Ca 0.19 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1s4e h GLN 82 Cb 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1s4e h GLN 82 CO 0.01 0.11 0.00 0.39 -0.95 0.00 0.00 178.83 178.38 1s4e n GLU 83 N -4.13 0.01 0.00 1.46 -0.58 -0.95 -4.90 120.64 111.55 1s4e n GLU 83 Ca -0.02 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1s4e n GLU 83 Cb 0.19 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 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 1.37 1.05 3.77 0.62 0.00 -0.50 -5.08 105.19 106.43 1s4e n GLY 84 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 3.22 -0.37 1.61 1.51 -0.56 -5.01 117.35 115.75 1s4e s TYR 85 Ca 0.00 1.60 -0.17 0.00 -1.01 0.00 0.00 57.07 57.50 1s4e s TYR 85 Cb 0.00 -3.30 0.00 0.00 -0.11 0.00 0.00 41.96 38.55 1s4e s TYR 85 CO 0.00 -0.99 0.43 0.15 -1.11 0.00 0.00 175.55 174.03 1s4e s LYS 86 N -2.19 3.43 0.00 -0.62 -0.14 -1.26 -4.46 119.74 114.50 1s4e s LYS 86 Ca 0.55 -0.46 0.00 0.00 -1.36 0.00 0.00 55.97 54.70 1s4e s LYS 86 Cb -0.29 -3.86 0.00 0.00 -1.68 0.00 0.00 37.83 32.00 1s4e s LYS 86 CO 0.36 -0.67 0.00 0.44 -0.76 0.00 0.00 175.35 174.72 1s4e n ILE 87 N 5.36 0.00 -2.80 2.17 -5.35 -1.26 -4.97 119.36 112.51 1s4e n ILE 87 Ca -0.07 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 1s4e n ILE 87 Cb 0.49 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.39 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 4.03 2.15 3.50 3.28 0.00 -1.26 -5.14 105.19 111.74 1s4e n GLY 88 Ca 0.00 -0.93 -0.26 0.00 0.00 0.00 0.00 46.02 44.82 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 0.00 -1.33 3.31 -0.02 0.00 -0.91 -4.96 105.19 101.29 1s4e n GLY 89 Ca 0.00 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.19 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 0.47 -0.08 0.99 -0.00 -0.80 -2.68 118.68 116.58 1s4e s LEU 90 Ca 0.68 -0.33 -0.02 0.00 -0.00 0.00 0.00 54.13 54.45 1s4e s LEU 90 Cb -0.02 1.78 0.04 0.00 -0.00 0.00 0.00 46.19 47.99 1s4e s LEU 90 CO 0.47 -0.84 0.04 -0.75 -0.00 0.00 0.00 176.35 175.28 1s4e s LYS 91 N -3.77 0.23 0.00 1.48 2.47 -0.25 -1.31 119.74 118.58 1s4e s LYS 91 Ca 0.03 0.17 0.00 0.00 -1.56 0.00 0.00 55.97 54.60 1s4e s LYS 91 Cb 0.02 -0.97 0.00 0.00 -1.46 0.00 0.00 37.83 35.42 1s4e s LYS 91 CO -0.12 -0.39 0.00 0.41 0.16 0.00 0.00 175.35 175.41 1s4e n GLY 92 N 5.23 0.70 3.15 5.54 0.00 -0.66 -1.55 105.19 117.60 1s4e n GLY 92 Ca -0.05 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 1s4e n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4e s LYS 93 N -1.24 1.52 -0.27 1.61 3.01 -0.87 -1.62 119.74 121.89 1s4e s LYS 93 Ca 0.00 -0.61 -0.07 0.00 -1.01 0.00 0.00 55.97 54.28 1s4e s LYS 93 Cb 0.00 -1.42 -0.00 0.00 -1.01 0.00 0.00 37.83 35.40 1s4e s LYS 93 CO 0.00 0.33 0.06 0.42 0.51 0.00 0.00 175.35 176.67 1s4e s ILE 94 N -0.26 3.99 0.00 2.17 1.01 0.55 -2.49 121.20 126.17 1s4e s ILE 94 Ca 0.03 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.16 1s4e s ILE 94 Cb -0.08 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.41 1s4e s ILE 94 CO 0.00 0.20 0.00 0.35 0.00 0.00 0.00 174.94 175.49 1s4e n THR 95 N 4.87 0.00 0.00 2.92 -2.24 0.24 -1.75 114.28 118.33 1s4e n THR 95 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1s4e n THR 95 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 2.40 0.15 0.00 3.38 0.00 -1.26 -0.81 105.19 109.06 1s4e n GLY 96 Ca 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.73 1s4e n GLY 96 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s4e n ASP 97 N 0.00 3.93 -4.68 1.61 -0.08 0.63 -4.96 116.55 113.00 1s4e n ASP 97 Ca 0.00 -0.06 -0.39 0.00 -1.51 0.00 0.00 54.79 52.83 1s4e n ASP 97 Cb 0.00 0.90 -0.06 0.00 2.34 0.00 0.00 41.12 44.30 1s4e n ASP 97 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1s4e s LEU 98 N -2.58 4.19 0.45 -2.67 2.96 -0.94 -4.70 118.68 115.38 1s4e s LEU 98 Ca 0.00 0.83 -0.24 0.00 -0.22 0.00 0.00 54.13 54.50 1s4e s LEU 98 Cb 0.00 -2.84 -0.09 0.00 0.50 0.00 0.00 46.19 43.76 1s4e s LEU 98 CO 0.00 -0.19 1.18 -2.65 -1.32 0.00 0.00 176.35 173.38 1s4e n PRO 99 N 4.61 1.66 -4.12 0.98 -0.02 -1.26 -4.97 135.00 131.88 1s4e n PRO 99 Ca -0.03 0.60 -0.35 0.00 -2.02 0.00 0.00 63.50 61.69 1s4e n PRO 99 Cb 0.50 -2.29 -0.09 0.00 -0.02 0.00 0.00 33.50 31.60 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 -1.60 3.82 -0.36 2.45 1.02 -1.26 -4.49 118.68 118.26 1s4e s LEU 100 Ca 0.64 0.16 -0.00 0.00 0.02 0.00 0.00 54.13 54.95 1s4e s LEU 100 Cb -0.50 -1.93 0.00 0.00 0.02 0.00 0.00 46.19 43.78 1s4e s LEU 100 CO 0.56 0.28 0.01 0.61 0.02 0.00 0.00 176.35 177.83 1s4e n GLY 101 N 2.80 0.21 0.00 -3.19 0.00 -1.26 -4.94 105.19 98.80 1s4e n GLY 101 Ca -0.18 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.26 1.78 -0.08 4.61 0.00 -1.26 -4.79 120.51 119.50 1s4e n ALA 102 Ca -0.05 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.62 1s4e n ALA 102 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.30 0.50 1.55 0.00 0.00 -1.26 -2.46 105.19 103.21 1s4e n GLY 103 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 4.76 -3.48 0.99 4.77 -1.26 -4.70 117.00 118.08 1s4e n LEU 104 Ca 0.00 -2.51 -0.19 0.00 -0.03 0.00 0.00 56.01 53.28 1s4e n LEU 104 Cb 0.00 -0.58 0.07 0.00 -2.33 0.00 0.00 43.42 40.58 1s4e n LEU 104 CO 0.00 0.79 0.03 -0.24 -1.33 0.00 0.00 177.39 176.64 1s4e n SER 105 N 0.96 -3.03 -0.18 -1.43 2.88 -1.26 -0.92 113.62 110.63 1s4e n SER 105 Ca 0.25 -0.72 0.16 0.00 -1.33 0.00 0.00 58.87 57.23 1s4e n SER 105 Cb 0.91 -4.75 0.50 0.00 -0.75 0.00 0.00 64.21 60.12 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 -1.71 0.40 -0.22 -3.46 4.64 -1.94 -0.72 113.55 110.55 1s4e h SER 106 Ca -0.60 0.02 0.03 0.00 -0.47 0.00 0.00 61.79 60.77 1s4e h SER 106 Cb 1.34 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 63.33 1s4e h SER 106 CO 0.50 0.21 -0.30 0.77 -0.87 0.00 0.00 176.83 177.14 1s4e h SER 107 N 0.43 -1.00 -0.30 4.97 4.64 -1.95 0.47 113.55 120.80 1s4e h SER 107 Ca 0.38 0.13 -0.16 0.00 -0.47 0.00 0.00 61.79 61.67 1s4e h SER 107 Cb 0.87 0.41 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1s4e h SER 107 CO -0.13 -0.22 -0.42 0.00 -0.87 0.00 0.00 176.83 175.19 1s4e h ALA 108 N -0.62 0.60 -0.64 5.18 0.00 -1.84 -0.35 119.26 121.58 1s4e h ALA 108 Ca 0.04 -0.47 0.08 0.00 0.00 0.00 0.00 54.91 54.56 1s4e h ALA 108 Cb 0.32 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1s4e h ALA 108 CO -0.32 0.68 0.31 1.03 0.00 0.00 0.00 179.25 180.95 1s4e h SER 109 N 0.70 0.41 -0.11 0.00 0.87 -0.97 0.33 113.55 114.78 1s4e h SER 109 Ca 0.05 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.60 1s4e h SER 109 Cb 1.01 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1s4e h SER 109 CO 0.10 0.25 -0.16 0.15 -0.53 0.00 0.00 176.83 176.64 1s4e h PHE 110 N 0.56 0.36 -0.00 2.24 -0.00 0.51 -1.58 116.94 119.03 1s4e h PHE 110 Ca 0.31 -0.12 0.00 0.00 -0.00 0.00 0.00 57.97 58.16 1s4e h PHE 110 Cb 0.29 -0.07 -0.00 0.00 -0.00 0.00 0.00 35.95 36.16 1s4e h PHE 110 CO -0.11 0.76 -0.02 0.93 -0.00 0.00 0.00 178.31 179.86 1s4e h GLU 111 N -0.14 -0.04 0.00 1.11 5.08 -0.87 -1.51 114.58 118.22 1s4e h GLU 111 Ca 0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1s4e h GLU 111 Cb 0.72 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1s4e h GLU 111 CO 0.04 -0.02 -0.40 -0.39 -1.00 0.00 0.00 179.01 177.23 1s4e h VAL 112 N -0.04 0.90 0.05 3.13 -1.51 -0.99 -1.62 116.25 116.18 1s4e h VAL 112 Ca 0.01 -1.62 0.02 0.00 -1.23 0.00 0.00 66.70 63.88 1s4e h VAL 112 Cb 0.05 1.99 -0.03 0.00 -2.13 0.00 0.00 31.29 31.17 1s4e h VAL 112 CO -0.02 0.39 -0.16 1.23 -1.23 0.00 0.00 177.57 177.78 1s4e h GLY 113 N 2.20 -0.26 1.07 5.19 0.00 -0.99 -0.05 103.07 110.24 1s4e h GLY 113 Ca -0.00 0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.45 1s4e h GLY 113 CO 0.05 -0.16 0.19 -2.22 0.00 0.00 0.00 176.54 174.40 1s4e h ILE 114 N -0.30 1.26 -0.71 2.60 1.08 -1.00 -1.02 117.51 119.43 1s4e h ILE 114 Ca 0.04 -0.97 -0.06 0.00 -0.39 0.00 0.00 64.86 63.48 1s4e h ILE 114 Cb 0.34 0.50 -0.03 0.00 -3.07 0.00 0.00 36.82 34.56 1s4e h ILE 114 CO -0.12 0.37 0.21 0.25 -0.69 0.00 0.00 178.15 178.18 1s4e h LEU 115 N 1.10 1.03 -0.42 1.44 6.46 -1.11 -0.58 115.31 123.23 1s4e h LEU 115 Ca 0.23 -0.19 -0.17 0.00 -0.12 0.00 0.00 57.88 57.63 1s4e h LEU 115 Cb 0.36 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 1s4e h LEU 115 CO 0.00 0.96 -0.79 -0.08 -0.62 0.00 0.00 178.44 177.91 1s4e h GLU 116 N 1.05 0.01 -0.24 1.25 4.57 -0.58 0.11 114.58 120.74 1s4e h GLU 116 Ca 0.23 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.37 1s4e h GLU 116 Cb 0.30 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1s4e h GLU 116 CO -0.01 0.80 0.04 0.28 -1.18 0.00 0.00 179.01 178.94 1s4e h VAL 117 N 0.01 1.23 -0.64 0.32 2.07 -0.79 -1.72 116.25 116.73 1s4e h VAL 117 Ca -0.01 -0.76 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 1s4e h VAL 117 Cb 1.40 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 1s4e h VAL 117 CO 0.10 0.24 0.07 -0.07 0.02 0.00 0.00 177.57 177.93 1s4e h LEU 118 N 0.21 1.05 -1.17 2.57 3.38 -0.86 -1.19 115.31 119.30 1s4e h LEU 118 Ca 0.07 -0.28 0.16 0.00 0.09 0.00 0.00 57.88 57.92 1s4e h LEU 118 Cb 0.32 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 40.71 1s4e h LEU 118 CO 0.00 1.07 0.60 -1.13 0.09 0.00 0.00 178.44 179.07 1s4e h ASN 119 N 1.00 0.73 0.00 -0.43 -1.24 -0.63 0.28 115.58 115.29 1s4e h ASN 119 Ca 0.19 0.06 -0.10 0.00 0.71 0.00 0.00 56.30 57.15 1s4e h ASN 119 Cb 0.49 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.44 1s4e h ASN 119 CO 0.02 0.34 -0.60 1.56 -1.29 0.00 0.00 177.43 177.46 1s4e h GLN 120 N 0.76 0.00 -0.54 6.67 4.20 -0.88 -1.94 115.11 123.38 1s4e h GLN 120 Ca 0.50 0.00 0.03 0.00 0.06 0.00 0.00 58.65 59.24 1s4e h GLN 120 Cb 0.76 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.50 1s4e h GLN 120 CO -0.27 0.89 0.31 -0.07 -0.67 0.00 0.00 178.83 179.02 1s4e h LEU 121 N -1.00 0.49 -1.60 1.46 3.38 -1.19 -2.71 115.31 114.12 1s4e h LEU 121 Ca -0.16 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1s4e h LEU 121 Cb 1.05 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1s4e h LEU 121 CO -0.10 0.34 0.00 -1.22 0.09 0.00 0.00 178.44 177.55 1s4e n TYR 122 N -4.81 0.42 -3.81 1.13 4.02 0.08 -4.99 117.16 109.21 1s4e n TYR 122 Ca 0.04 -0.21 -0.36 0.00 -0.01 0.00 0.00 57.90 57.36 1s4e n TYR 122 Cb 0.10 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.45 1s4e n TYR 122 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1s4e n ASN 123 N 0.79 -4.97 0.03 7.72 4.05 -1.02 -4.95 115.26 116.90 1s4e n ASN 123 Ca 0.17 -1.10 0.13 0.00 0.45 0.00 0.00 54.58 54.22 1s4e n ASN 123 Cb 0.42 -2.79 0.34 0.00 1.23 0.00 0.00 39.78 38.98 1s4e n ASN 123 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1s4e n LEU 124 N -4.42 0.48 -4.29 1.20 4.77 -0.76 -4.97 117.00 109.01 1s4e n LEU 124 Ca -0.10 0.27 -0.33 0.00 -0.03 0.00 0.00 56.01 55.82 1s4e n LEU 124 Cb 0.58 -0.30 -0.09 0.00 -2.33 0.00 0.00 43.42 41.29 1s4e n LEU 124 CO 0.69 0.00 -0.44 -0.46 -1.33 0.00 0.00 177.39 175.85 1s4e n ASN 125 N -1.78 0.39 -4.72 -1.43 2.04 -1.26 -4.89 115.26 103.60 1s4e n ASN 125 Ca 0.05 -1.28 -0.42 0.00 -0.44 0.00 0.00 54.58 52.50 1s4e n ASN 125 Cb 0.38 -1.61 -0.03 0.00 -2.53 0.00 0.00 39.78 35.98 1s4e n ASN 125 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 1s4e s ILE 126 N -4.29 3.92 0.18 1.53 1.01 -1.26 -4.98 121.20 117.31 1s4e s ILE 126 Ca 0.05 1.49 -0.31 0.00 0.00 0.00 0.00 60.65 61.89 1s4e s ILE 126 Cb -0.03 -3.95 -0.09 0.00 0.01 0.00 0.00 42.46 38.39 1s4e s ILE 126 CO 1.00 0.18 1.45 -0.62 0.00 0.00 0.00 174.94 176.94 1s4e s ASP 127 N 0.56 6.71 0.35 3.58 2.15 -1.26 -4.84 116.67 123.93 1s4e s ASP 127 Ca 0.55 2.52 0.15 0.00 0.43 0.00 0.00 52.55 56.19 1s4e s ASP 127 Cb -0.30 -2.60 1.04 0.00 -0.30 0.00 0.00 42.92 40.76 1s4e s ASP 127 CO 0.32 -0.70 1.71 -0.65 -0.17 0.00 0.00 175.17 175.68 1s4e h PRO 128 N 6.14 0.41 0.00 4.34 0.11 -1.99 0.10 132.00 141.11 1s4e h PRO 128 Ca -0.44 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 1s4e h PRO 128 Cb 1.21 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1s4e h PRO 128 CO 0.84 0.27 -0.22 1.37 -0.21 0.00 0.00 178.00 180.06 1s4e h LEU 129 N 0.42 0.00 -1.19 2.35 -0.00 -2.00 -1.98 115.31 112.91 1s4e h LEU 129 Ca 0.68 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 58.47 1s4e h LEU 129 Cb 1.54 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.19 1s4e h LEU 129 CO -0.47 0.22 -0.38 0.50 -0.00 0.00 0.00 178.44 178.30 1s4e h LYS 130 N 0.00 0.04 -0.78 0.17 1.63 -1.40 -0.78 116.57 115.44 1s4e h LYS 130 Ca -0.00 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.81 1s4e h LYS 130 Cb 1.12 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.71 1s4e h LYS 130 CO 0.03 0.42 0.51 0.87 -3.45 0.00 0.00 179.45 177.82 1s4e h LYS 131 N 0.03 0.97 -0.16 1.90 1.57 -0.49 0.98 116.57 121.38 1s4e h LYS 131 Ca 0.00 -0.06 -0.21 0.00 -1.87 0.00 0.00 60.65 58.51 1s4e h LYS 131 Cb 0.69 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 32.79 1s4e h LYS 131 CO 0.05 0.64 -0.72 0.00 -0.57 0.00 0.00 179.45 178.86 1s4e h ALA 132 N 1.32 0.31 -0.03 3.86 0.00 -1.30 -2.39 119.26 121.03 1s4e h ALA 132 Ca 0.31 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1s4e h ALA 132 Cb -0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1s4e h ALA 132 CO -0.10 0.64 -0.01 -0.07 0.00 0.00 0.00 179.25 179.72 1s4e h LEU 133 N 0.50 0.06 -0.62 0.00 3.38 -0.69 -1.39 115.31 116.56 1s4e h LEU 133 Ca -0.04 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.61 1s4e h LEU 133 Cb 1.35 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.04 1s4e h LEU 133 CO 0.15 0.40 0.37 -0.07 0.09 0.00 0.00 178.44 179.39 1s4e h LEU 134 N -0.28 0.59 -0.03 1.67 3.38 -0.93 0.62 115.31 120.34 1s4e h LEU 134 Ca 0.01 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1s4e h LEU 134 Cb 0.38 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1s4e h LEU 134 CO 0.00 0.41 -0.05 0.00 0.09 0.00 0.00 178.44 178.89 1s4e h ALA 135 N 1.28 -0.02 -0.94 1.53 0.00 -1.21 -0.57 119.26 119.32 1s4e h ALA 135 Ca 0.26 0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.34 1s4e h ALA 135 Cb 0.06 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 1s4e h ALA 135 CO -0.12 -0.53 0.60 -0.22 0.00 0.00 0.00 179.25 178.98 1s4e h LYS 136 N -0.07 0.70 -0.33 0.00 3.64 -0.95 -0.98 116.57 118.59 1s4e h LYS 136 Ca 0.03 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 1s4e h LYS 136 Cb 0.11 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1s4e h LYS 136 CO -0.07 0.46 -0.24 -0.22 -2.27 0.00 0.00 179.45 177.11 1s4e h LYS 137 N 0.72 0.75 -0.36 1.90 3.64 -0.17 0.26 116.57 123.31 1s4e h LYS 137 Ca 0.49 -0.36 0.05 0.00 -1.27 0.00 0.00 60.65 59.57 1s4e h LYS 137 Cb 0.79 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.56 1s4e h LYS 137 CO -0.26 0.98 0.07 0.00 -2.27 0.00 0.00 179.45 177.97 1s4e h ALA 138 N 0.75 0.38 -0.28 5.00 0.00 -0.46 0.14 119.26 124.79 1s4e h ALA 138 Ca 0.06 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1s4e h ALA 138 Cb 0.80 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1s4e h ALA 138 CO 0.06 -0.34 -0.39 1.49 0.00 0.00 0.00 179.25 180.07 1s4e h GLU 139 N 0.19 0.66 -0.03 0.00 4.81 -0.89 -1.29 114.58 118.03 1s4e h GLU 139 Ca 0.17 -0.33 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 1s4e h GLU 139 Cb 0.20 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.59 1s4e h GLU 139 CO -0.23 0.94 -0.31 -0.91 -0.73 0.00 0.00 179.01 177.77 1s4e h ASN 140 N 0.54 0.32 0.13 1.04 -0.26 -0.14 -1.45 115.58 115.76 1s4e h ASN 140 Ca 0.05 -0.72 -0.36 0.00 -0.56 0.00 0.00 56.30 54.71 1s4e h ASN 140 Cb 0.92 -0.10 -0.04 0.00 -1.06 0.00 0.00 38.32 38.04 1s4e h ASN 140 CO 0.08 0.99 -2.13 -0.62 -1.06 0.00 0.00 177.43 174.69 1s4e n GLU 141 N -4.45 0.70 0.00 0.81 1.02 0.47 -4.05 120.64 115.14 1s4e n GLU 141 Ca -0.09 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1s4e n GLU 141 Cb 0.52 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 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 -3.28 0.00 -1.83 -0.32 7.35 -0.55 -4.77 117.46 114.06 1s4e n PHE 142 Ca -0.34 0.00 -0.36 0.00 -0.76 0.00 0.00 57.45 55.99 1s4e n PHE 142 Cb 1.04 -0.22 0.05 0.00 0.35 0.00 0.00 39.48 40.71 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 -0.91 2.38 -0.94 -2.13 1.01 -0.84 -4.90 120.40 114.07 1s4e s VAL 143 Ca 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.19 1s4e s VAL 143 Cb 0.00 -3.04 0.29 0.00 0.00 0.00 0.00 36.38 33.63 1s4e s VAL 143 CO 0.00 -0.06 2.04 0.61 0.00 0.00 0.00 175.10 177.69 1s4e n GLY 144 N 0.61 5.66 3.20 4.51 0.00 -1.26 -4.24 105.19 113.67 1s4e n GLY 144 Ca 0.14 -2.43 -0.34 0.00 0.00 0.00 0.00 46.02 43.39 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 -4.11 2.73 -0.90 1.61 1.01 -0.54 -5.00 120.40 115.20 1s4e s VAL 145 Ca 0.47 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 61.32 1s4e s VAL 145 Cb 0.30 -2.29 0.05 0.00 0.00 0.00 0.00 36.38 34.43 1s4e s VAL 145 CO -0.24 0.35 1.36 -2.16 0.00 0.00 0.00 175.10 174.41 1s4e s PRO 146 N 1.34 3.42 0.23 2.72 0.04 -1.26 -3.63 135.00 137.87 1s4e s PRO 146 Ca 0.03 -0.79 0.10 0.00 0.04 0.00 0.00 61.00 60.37 1s4e s PRO 146 Cb -0.15 -4.85 -0.04 0.00 0.04 0.00 0.00 34.50 29.49 1s4e s PRO 146 CO -0.07 -2.16 -0.06 0.00 0.04 0.00 0.00 177.00 174.75 1s4e n GLY 148 N -0.51 -2.17 0.00 0.00 0.00 -1.26 -4.97 105.19 96.28 1s4e n GLY 148 Ca -0.08 -1.36 0.10 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.50 0.00 -0.40 -0.61 3.06 -1.26 -4.65 119.36 115.00 1s4e n ILE 149 Ca 0.00 -0.13 -0.08 0.00 -2.50 0.00 0.00 62.75 60.05 1s4e n ILE 149 Cb 0.00 0.77 -0.06 0.00 0.54 0.00 0.00 39.64 40.90 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 -1.66 -0.92 0.18 9.51 0.00 -1.26 -1.61 117.00 121.24 1s4e n LEU 150 Ca 0.02 1.74 -0.14 0.00 0.00 0.00 0.00 56.01 57.63 1s4e n LEU 150 Cb 0.37 -0.28 -0.08 0.00 0.00 0.00 0.00 43.42 43.43 1s4e n LEU 150 CO 0.42 -1.47 0.61 0.44 0.00 0.00 0.00 177.39 177.40 1s4e h ASP 151 N 0.00 -0.38 -0.67 1.96 3.32 -2.00 -1.86 116.42 116.79 1s4e h ASP 151 Ca 0.22 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 1s4e h ASP 151 Cb 0.46 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 1s4e h ASP 151 CO -0.94 -0.08 0.29 1.56 -1.72 0.00 0.00 179.24 178.34 1s4e h GLN 152 N -0.68 1.01 -0.58 3.56 7.50 -1.84 -2.14 115.11 121.94 1s4e h GLN 152 Ca -0.05 -0.16 -0.03 0.00 0.50 0.00 0.00 58.65 58.91 1s4e h GLN 152 Cb 0.48 -0.17 -0.03 0.00 0.05 0.00 0.00 27.48 27.81 1s4e h GLN 152 CO 0.07 0.82 0.23 0.35 -1.50 0.00 0.00 178.83 178.80 1s4e h PHE 153 N 1.00 0.89 -0.21 2.96 3.57 -1.21 -2.05 116.94 121.88 1s4e h PHE 153 Ca 0.23 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1s4e h PHE 153 Cb 0.18 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1s4e h PHE 153 CO 0.01 0.72 0.03 0.00 -2.23 0.00 0.00 178.31 176.85 1s4e h ALA 154 N 1.08 0.28 -0.30 2.41 0.00 -1.03 -1.05 119.26 120.63 1s4e h ALA 154 Ca 0.19 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1s4e h ALA 154 Cb 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1s4e h ALA 154 CO -0.01 -0.05 -0.02 0.28 0.00 0.00 0.00 179.25 179.44 1s4e h VAL 155 N 0.14 1.19 0.16 0.00 2.07 -1.22 -0.74 116.25 117.86 1s4e h VAL 155 Ca 0.06 -0.78 -0.21 0.00 0.82 0.00 0.00 66.70 66.60 1s4e h VAL 155 Cb 0.32 0.99 0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1s4e h VAL 155 CO 0.00 0.26 -0.90 0.58 0.02 0.00 0.00 177.57 177.54 1s4e h VAL 156 N 0.45 1.48 -0.01 2.57 2.07 -1.33 0.23 116.25 121.72 1s4e h VAL 156 Ca 0.10 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 65.06 1s4e h VAL 156 Cb 0.34 3.18 0.00 0.00 -1.52 0.00 0.00 31.29 33.29 1s4e h VAL 156 CO 0.01 0.73 -0.40 0.49 0.02 0.00 0.00 177.57 178.43 1s4e n PHE 157 N -4.07 0.00 -1.39 1.57 3.01 -0.40 -3.92 117.46 112.25 1s4e n PHE 157 Ca -0.14 0.00 -0.48 0.00 1.01 0.00 0.00 57.45 57.84 1s4e n PHE 157 Cb 0.86 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.30 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 1.27 -1.69 3.35 1.37 0.00 -0.30 -4.68 105.19 104.51 1s4e n GLY 158 Ca 0.08 0.35 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.96 1.65 0.17 1.61 2.20 -1.15 -0.94 119.74 122.32 1s4e s LYS 159 Ca 0.64 -1.16 -0.28 0.00 -0.36 0.00 0.00 55.97 54.81 1s4e s LYS 159 Cb -0.93 -1.91 -0.00 0.00 -1.51 0.00 0.00 37.83 33.48 1s4e s LYS 159 CO 0.56 0.48 1.53 1.17 -0.36 0.00 0.00 175.35 178.73 1s4e n LYS 160 N 1.53 -0.39 -2.15 4.03 0.00 -1.25 -1.92 118.16 118.01 1s4e n LYS 160 Ca -0.17 1.51 -0.27 0.00 0.00 0.00 0.00 58.31 59.38 1s4e n LYS 160 Cb 0.52 -2.22 0.02 0.00 0.00 0.00 0.00 35.03 33.35 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 -5.29 5.15 -4.06 3.14 8.00 -1.26 -3.56 116.55 118.66 1s4e n ASP 161 Ca 0.04 -3.75 -0.11 0.00 0.71 0.00 0.00 54.79 51.68 1s4e n ASP 161 Cb 0.29 -0.46 -0.11 0.00 -0.02 0.00 0.00 41.12 40.82 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 -3.34 0.74 0.37 -2.24 0.01 -0.81 -0.67 114.94 108.99 1s4e s ASN 162 Ca 0.51 -0.64 0.07 0.00 -0.71 0.00 0.00 52.86 52.09 1s4e s ASN 162 Cb 0.41 0.07 -0.01 0.00 0.41 0.00 0.00 41.25 42.13 1s4e s ASN 162 CO -0.07 -0.29 0.42 0.68 -1.51 0.00 0.00 177.10 176.32 1s4e s VAL 163 N -1.91 3.37 -0.20 1.60 -7.23 -0.72 -4.55 120.40 110.77 1s4e s VAL 163 Ca -0.07 -1.19 -0.02 0.00 -1.81 0.00 0.00 61.98 58.89 1s4e s VAL 163 Cb -0.06 -3.17 -0.00 0.00 0.56 0.00 0.00 36.38 33.71 1s4e s VAL 163 CO -0.01 -0.09 -0.08 -0.63 -0.31 0.00 0.00 175.10 173.97 1s4e s ILE 164 N -2.32 3.08 -0.25 -0.62 1.01 -0.11 -1.88 121.20 120.11 1s4e s ILE 164 Ca 0.47 -0.60 -0.17 0.00 0.00 0.00 0.00 60.65 60.35 1s4e s ILE 164 Cb -0.07 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.99 1s4e s ILE 164 CO 0.29 0.46 0.47 0.12 0.00 0.00 0.00 174.94 176.29 1s4e s PHE 165 N 1.30 3.29 -0.05 3.97 5.36 -0.29 -2.96 117.98 128.60 1s4e s PHE 165 Ca 0.04 0.60 0.03 0.00 -0.96 0.00 0.00 56.93 56.64 1s4e s PHE 165 Cb -0.14 -2.66 0.01 0.00 -0.34 0.00 0.00 43.02 39.88 1s4e s PHE 165 CO -0.04 -0.22 -0.13 -1.17 -1.46 0.00 0.00 175.22 172.20 1s4e s LEU 166 N 2.06 1.73 -0.39 6.12 0.20 -0.09 -1.29 118.68 127.02 1s4e s LEU 166 Ca 0.20 -0.29 -0.19 0.00 0.69 0.00 0.00 54.13 54.54 1s4e s LEU 166 Cb -0.16 -0.82 0.01 0.00 -0.43 0.00 0.00 46.19 44.80 1s4e s LEU 166 CO 0.09 0.07 0.55 -0.62 -0.29 0.00 0.00 176.35 176.15 1s4e s ASP 167 N 0.44 6.31 0.18 3.68 -1.08 -0.81 -1.32 116.67 124.08 1s4e s ASP 167 Ca -0.10 -0.20 0.25 0.00 -0.52 0.00 0.00 52.55 51.97 1s4e s ASP 167 Cb -0.14 -2.28 0.91 0.00 -1.46 0.00 0.00 42.92 39.95 1s4e s ASP 167 CO 0.03 -0.60 1.75 0.35 0.52 0.00 0.00 175.17 177.22 1s4e n THR 168 N 5.57 0.63 0.09 1.71 -2.24 -0.81 -0.70 114.28 118.52 1s4e n THR 168 Ca -0.04 -0.04 -0.21 0.00 -2.27 0.00 0.00 64.05 61.49 1s4e n THR 168 Cb 0.48 -0.79 -0.12 0.00 -2.10 0.00 0.00 70.33 67.80 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 0.57 0.00 -0.78 4.15 -1.77 -3.38 115.11 113.90 1s4e h GLN 169 Ca 0.00 -0.76 0.00 0.00 0.77 0.00 0.00 58.65 58.66 1s4e h GLN 169 Cb 0.55 0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.49 1s4e h GLN 169 CO 0.00 1.34 -1.37 0.25 -1.93 0.00 0.00 178.83 177.12 1s4e n THR 170 N -3.76 0.00 -1.99 2.39 -2.24 -1.14 -4.98 114.28 102.57 1s4e n THR 170 Ca -0.12 -0.28 -0.16 0.00 -2.27 0.00 0.00 64.05 61.22 1s4e n THR 170 Cb 0.97 0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 69.64 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 -1.80 -1.53 -4.76 3.22 4.77 0.12 -5.00 117.00 112.02 1s4e n LEU 171 Ca -0.01 0.14 -0.38 0.00 -0.03 0.00 0.00 56.01 55.74 1s4e n LEU 171 Cb 0.36 -2.37 -0.06 0.00 -2.33 0.00 0.00 43.42 39.02 1s4e n LEU 171 CO 0.34 -0.43 0.13 -1.10 -1.33 0.00 0.00 177.39 175.00 1s4e s GLN 172 N -4.27 4.21 0.23 3.23 -1.52 -1.23 -4.92 119.66 115.40 1s4e s GLN 172 Ca 0.00 0.40 0.02 0.00 -1.95 0.00 0.00 55.36 53.83 1s4e s GLN 172 Cb 0.00 -3.37 -0.05 0.00 -0.22 0.00 0.00 33.01 29.37 1s4e s GLN 172 CO 0.00 0.33 0.03 1.52 -0.25 0.00 0.00 175.29 176.92 1s4e s TYR 173 N 0.08 1.48 -0.15 0.91 -0.85 -1.26 -1.93 117.35 115.63 1s4e s TYR 173 Ca 0.24 -1.02 -0.09 0.00 -0.52 0.00 0.00 57.07 55.68 1s4e s TYR 173 Cb -0.15 -0.86 0.05 0.00 0.38 0.00 0.00 41.96 41.38 1s4e s TYR 173 CO 0.10 -0.17 0.36 -2.00 -1.52 0.00 0.00 175.55 172.33 1s4e s GLU 174 N -3.93 0.35 0.11 -3.49 2.12 -0.41 -4.98 118.70 108.47 1s4e s GLU 174 Ca 0.30 0.69 -0.30 0.00 0.36 0.00 0.00 54.97 56.02 1s4e s GLU 174 Cb 0.07 -0.02 -0.06 0.00 0.26 0.00 0.00 34.13 34.37 1s4e s GLU 174 CO 0.09 -0.15 1.06 0.71 -0.54 0.00 0.00 175.26 176.43 1s4e s TYR 175 N 1.24 3.64 -0.20 5.30 4.12 -1.26 -1.13 117.35 129.05 1s4e s TYR 175 Ca -0.08 1.62 0.02 0.00 0.02 0.00 0.00 57.07 58.64 1s4e s TYR 175 Cb -0.08 -3.21 0.03 0.00 -1.52 0.00 0.00 41.96 37.18 1s4e s TYR 175 CO -0.10 -0.40 -0.17 0.42 0.02 0.00 0.00 175.55 175.32 1s4e s ILE 176 N 0.22 2.05 0.23 2.71 1.01 -0.79 -4.96 121.20 121.68 1s4e s ILE 176 Ca 0.51 -1.12 -0.31 0.00 0.00 0.00 0.00 60.65 59.72 1s4e s ILE 176 Cb -0.26 -1.95 -0.13 0.00 0.01 0.00 0.00 42.46 40.12 1s4e s ILE 176 CO 0.31 0.37 1.40 -2.65 0.00 0.00 0.00 174.94 174.38 1s4e n PRO 177 N 4.58 2.01 -4.43 2.79 -0.02 -1.26 -1.75 135.00 136.92 1s4e n PRO 177 Ca -0.19 0.71 -0.34 0.00 -2.02 0.00 0.00 63.50 61.67 1s4e n PRO 177 Cb 0.48 -2.37 -0.12 0.00 -0.02 0.00 0.00 33.50 31.47 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 -0.03 3.03 0.17 6.00 5.36 0.15 -4.84 117.98 127.82 1s4e s PHE 178 Ca 0.69 -0.22 -0.31 0.00 -0.96 0.00 0.00 56.93 56.13 1s4e s PHE 178 Cb -0.66 -1.92 -0.09 0.00 -0.34 0.00 0.00 43.02 40.02 1s4e s PHE 178 CO 0.49 0.05 1.44 -1.25 -1.46 0.00 0.00 175.22 174.49 1s4e s PRO 179 N 0.12 4.29 0.45 10.12 0.04 -1.26 -4.72 135.00 144.04 1s4e s PRO 179 Ca -0.01 2.21 0.22 0.00 0.04 0.00 0.00 61.00 63.46 1s4e s PRO 179 Cb -0.14 -3.18 1.04 0.00 0.04 0.00 0.00 34.50 32.26 1s4e s PRO 179 CO 0.03 -0.46 1.90 0.87 0.04 0.00 0.00 177.00 179.38 1s4e h LYS 180 N 6.19 0.00 -0.00 4.56 1.79 -1.97 -1.20 116.57 125.94 1s4e h LYS 180 Ca -0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 1s4e h LYS 180 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1s4e h LYS 180 CO 0.85 0.24 -0.02 -0.40 -1.08 0.00 0.00 179.45 179.04 1s4e n ASP 181 N -3.65 0.06 -4.70 0.86 5.75 -1.26 -4.74 116.55 108.86 1s4e n ASP 181 Ca -0.01 -0.16 -0.35 0.00 -0.01 0.00 0.00 54.79 54.26 1s4e n ASP 181 Cb 0.37 -0.27 -0.09 0.00 -1.03 0.00 0.00 41.12 40.10 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 -2.59 4.49 0.00 2.12 1.01 -0.45 -1.17 120.40 123.81 1s4e s VAL 182 Ca 0.28 -0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.16 1s4e s VAL 182 Cb 0.20 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 1s4e s VAL 182 CO 0.47 0.60 -0.25 -0.44 0.00 0.00 0.00 175.10 175.48 1s4e s SER 183 N -0.82 2.94 -0.42 3.32 0.01 0.69 -4.78 113.70 114.65 1s4e s SER 183 Ca 0.13 -0.49 -0.21 0.00 1.31 0.00 0.00 55.95 56.68 1s4e s SER 183 Cb -0.12 -0.31 0.02 0.00 0.21 0.00 0.00 66.02 65.83 1s4e s SER 183 CO 0.02 0.28 0.69 -0.69 0.41 0.00 0.00 173.24 173.96 1s4e s VAL 184 N -0.65 4.79 -0.13 3.43 1.01 -1.26 -1.57 120.40 126.01 1s4e s VAL 184 Ca 0.10 0.37 -0.29 0.00 0.00 0.00 0.00 61.98 62.15 1s4e s VAL 184 Cb -0.10 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 1s4e s VAL 184 CO 0.00 -0.55 1.29 -0.76 0.00 0.00 0.00 175.10 175.08 1s4e s LEU 185 N 2.94 4.21 -0.23 3.92 1.43 0.41 -2.62 118.68 128.74 1s4e s LEU 185 Ca 0.26 1.77 -0.13 0.00 -1.03 0.00 0.00 54.13 55.01 1s4e s LEU 185 Cb -0.14 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.50 1s4e s LEU 185 CO 0.19 -0.74 0.25 -0.69 0.23 0.00 0.00 176.35 175.58 1s4e s VAL 186 N 3.29 5.29 -0.23 -1.59 1.01 -0.27 -0.94 120.40 126.97 1s4e s VAL 186 Ca 0.57 0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.94 1s4e s VAL 186 Cb -0.24 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 32.60 1s4e s VAL 186 CO 0.17 0.30 -0.14 0.12 0.00 0.00 0.00 175.10 175.55 1s4e s PHE 187 N 1.23 3.08 -0.13 5.22 5.36 0.12 -0.55 117.98 132.29 1s4e s PHE 187 Ca 0.12 -2.03 -0.19 0.00 -0.96 0.00 0.00 56.93 53.86 1s4e s PHE 187 Cb -0.14 -1.93 -0.04 0.00 -0.34 0.00 0.00 43.02 40.57 1s4e s PHE 187 CO 0.06 -0.85 0.54 -0.47 -1.46 0.00 0.00 175.22 173.05 1s4e s TYR 188 N 1.18 3.48 -0.61 10.12 5.04 -0.27 -0.62 117.35 135.67 1s4e s TYR 188 Ca -0.03 0.93 0.26 0.00 -2.44 0.00 0.00 57.07 55.78 1s4e s TYR 188 Cb -0.17 -2.65 0.78 0.00 0.35 0.00 0.00 41.96 40.27 1s4e s TYR 188 CO -0.08 0.06 1.75 1.79 -1.34 0.00 0.00 175.55 177.73 1s4e h THR 189 N 4.86 0.00 0.00 4.34 1.35 -1.62 -2.88 112.91 118.96 1s4e h THR 189 Ca -0.38 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 1s4e h THR 189 Cb 1.17 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 1s4e h THR 189 CO 0.75 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.63 1s4e n GLY 190 N 1.02 0.52 3.35 5.82 0.00 -1.26 -4.41 105.19 110.22 1s4e n GLY 190 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.23 3.71 -0.40 1.61 1.01 -1.26 -4.52 120.40 118.32 1s4e s VAL 191 Ca 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1s4e s VAL 191 Cb 0.00 -2.76 0.12 0.00 0.00 0.00 0.00 36.38 33.74 1s4e s VAL 191 CO 0.00 0.32 0.16 -1.59 0.00 0.00 0.00 175.10 173.99 1s4e s LYS 192 N 1.51 1.31 0.56 2.72 -2.85 -1.26 -1.39 119.74 120.34 1s4e s LYS 192 Ca 0.05 -1.85 -0.15 0.00 -1.00 0.00 0.00 55.97 53.03 1s4e s LYS 192 Cb -0.15 -2.64 -0.06 0.00 -2.06 0.00 0.00 37.83 32.92 1s4e s LYS 192 CO -0.00 -1.05 1.01 1.03 0.10 0.00 0.00 175.35 176.43 1s4e s ARG 193 N 0.70 3.76 0.13 1.78 1.81 -1.26 -4.99 118.95 120.88 1s4e s ARG 193 Ca 0.14 0.92 -0.14 0.00 -1.72 0.00 0.00 55.73 54.92 1s4e s ARG 193 Cb -0.22 -2.11 -0.00 0.00 -0.45 0.00 0.00 34.95 32.17 1s4e s ARG 193 CO -0.08 -0.43 1.61 1.05 -0.68 0.00 0.00 175.30 176.76 1s4e h GLU 194 N 0.46 0.73 -0.83 3.54 4.11 -2.00 -3.18 114.58 117.41 1s4e h GLU 194 Ca -0.46 -0.20 0.24 0.00 0.07 0.00 0.00 59.36 59.01 1s4e h GLU 194 Cb 1.19 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 1s4e h GLU 194 CO 0.61 0.77 0.67 1.37 0.07 0.00 0.00 179.01 182.50 1s4e h LEU 195 N 0.58 0.00 0.20 3.06 -0.00 -1.99 -3.36 115.31 113.80 1s4e h LEU 195 Ca 0.13 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 58.02 1s4e h LEU 195 Cb 0.41 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.04 1s4e h LEU 195 CO 0.01 0.00 -0.32 0.00 -0.00 0.00 0.00 178.44 178.13 1s4e h ALA 196 N 1.45 -0.60 -0.75 0.17 0.00 -1.91 -0.10 119.26 117.51 1s4e h ALA 196 Ca 0.40 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.39 1s4e h ALA 196 Cb 1.73 0.50 -0.14 0.00 0.00 0.00 0.00 17.79 19.87 1s4e h ALA 196 CO -0.00 -0.88 -0.15 0.77 0.00 0.00 0.00 179.25 178.98 1s4e h SER 197 N -0.59 -0.64 -0.46 0.00 0.02 -1.85 -0.94 113.55 109.10 1s4e h SER 197 Ca 0.01 0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 61.14 1s4e h SER 197 Cb 0.59 0.45 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 1s4e h SER 197 CO -0.13 -0.24 0.10 -1.28 -1.14 0.00 0.00 176.83 174.14 1s4e h SER 198 N 0.01 0.70 -0.11 3.07 0.87 -1.54 -1.78 113.55 114.78 1s4e h SER 198 Ca 0.37 -0.24 -0.05 0.00 -1.23 0.00 0.00 61.79 60.64 1s4e h SER 198 Cb 0.59 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1s4e h SER 198 CO -0.76 0.76 -0.07 -0.33 -0.53 0.00 0.00 176.83 175.90 1s4e h GLU 199 N 0.61 0.39 -0.52 2.24 4.39 0.12 -1.06 114.58 120.75 1s4e h GLU 199 Ca 0.14 -0.09 -0.07 0.00 0.34 0.00 0.00 59.36 59.68 1s4e h GLU 199 Cb 0.34 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 1s4e h GLU 199 CO 0.00 0.47 0.04 -0.92 -1.16 0.00 0.00 179.01 177.45 1s4e h TYR 200 N 0.37 0.96 -0.01 4.33 3.20 -1.10 -1.32 116.97 123.40 1s4e h TYR 200 Ca 0.08 -0.15 -0.13 0.00 3.14 0.00 0.00 58.73 61.67 1s4e h TYR 200 Cb 0.36 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1s4e h TYR 200 CO 0.01 0.87 -0.62 0.00 -1.64 0.00 0.00 178.16 176.79 1s4e h ALA 201 N 0.96 0.96 -0.10 1.82 0.00 -0.92 -0.97 119.26 121.01 1s4e h ALA 201 Ca 0.15 -0.56 -0.17 0.00 0.00 0.00 0.00 54.91 54.33 1s4e h ALA 201 Cb 0.46 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1s4e h ALA 201 CO 0.02 0.77 -0.67 0.93 0.00 0.00 0.00 179.25 180.29 1s4e h GLU 202 N 0.03 0.40 -0.25 0.00 4.39 -0.99 0.09 114.58 118.25 1s4e h GLU 202 Ca -0.01 -0.30 -0.07 0.00 0.34 0.00 0.00 59.36 59.32 1s4e h GLU 202 Cb 1.10 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 1s4e h GLU 202 CO 0.08 0.93 -0.13 0.00 -1.16 0.00 0.00 179.01 178.73 1s4e h ARG 203 N 0.28 0.52 -0.53 2.33 2.47 -0.92 -1.77 114.38 116.76 1s4e h ARG 203 Ca -0.02 -0.23 -0.01 0.00 -1.26 0.00 0.00 59.98 58.46 1s4e h ARG 203 Cb 1.22 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 29.50 1s4e h ARG 203 CO 0.11 0.79 0.27 -0.22 0.56 0.00 0.00 179.97 181.48 1s4e h LYS 204 N 0.24 0.74 -0.37 0.04 3.64 -1.11 -1.37 116.57 118.39 1s4e h LYS 204 Ca 0.05 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 1s4e h LYS 204 Cb 0.64 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1s4e h LYS 204 CO 0.04 0.56 -0.11 -0.09 -2.27 0.00 0.00 179.45 177.58 1s4e h ARG 205 N 0.74 0.72 0.00 1.90 2.43 -0.71 -2.04 114.38 117.42 1s4e h ARG 205 Ca 0.19 -0.28 -0.14 0.00 -0.81 0.00 0.00 59.98 58.94 1s4e h ARG 205 Cb 0.05 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1s4e h ARG 205 CO -0.03 0.88 -0.66 0.82 -1.51 0.00 0.00 179.97 179.47 1s4e h ILE 206 N 0.51 1.40 -0.23 1.20 2.04 -0.95 -2.06 117.51 119.42 1s4e h ILE 206 Ca 0.09 -2.32 -0.17 0.00 1.00 0.00 0.00 64.86 63.46 1s4e h ILE 206 Cb 0.62 2.28 -0.00 0.00 -0.74 0.00 0.00 36.82 38.98 1s4e h ILE 206 CO 0.04 0.65 -0.52 0.00 0.00 0.00 0.00 178.15 178.31 1s4e h ALA 207 N 1.34 0.63 0.00 1.87 0.00 -1.17 -1.42 119.26 120.51 1s4e h ALA 207 Ca -0.01 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 1s4e h ALA 207 Cb 1.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1s4e h ALA 207 CO 0.09 0.68 -0.44 0.93 0.00 0.00 0.00 179.25 180.51 1s4e h GLU 208 N 0.53 0.00 0.04 0.00 5.08 -1.00 -2.05 114.58 117.18 1s4e h GLU 208 Ca 0.02 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.13 1s4e h GLU 208 Cb 1.09 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.35 1s4e h GLU 208 CO 0.11 0.44 -1.05 0.93 -1.00 0.00 0.00 179.01 178.43 1s4e h GLU 209 N 0.00 0.45 0.43 2.33 5.08 -1.24 -2.67 114.58 118.96 1s4e h GLU 209 Ca -0.00 -0.54 -0.02 0.00 -1.00 0.00 0.00 59.36 57.79 1s4e h GLU 209 Cb 0.84 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1s4e h GLU 209 CO 0.06 1.19 -0.21 0.77 -1.00 0.00 0.00 179.01 179.82 1s4e h SER 210 N 0.23 -0.49 -0.93 1.42 0.02 -1.10 -1.18 113.55 111.52 1s4e h SER 210 Ca -0.11 -0.03 0.18 0.00 -0.84 0.00 0.00 61.79 60.99 1s4e h SER 210 Cb 1.71 0.13 -0.11 0.00 0.14 0.00 0.00 62.40 64.27 1s4e h SER 210 CO 0.19 -0.28 0.51 -0.07 -1.14 0.00 0.00 176.83 176.03 1s4e h LEU 211 N -0.66 0.60 -0.46 5.07 3.38 -1.43 -2.22 115.31 119.59 1s4e h LEU 211 Ca -0.06 0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 1s4e h LEU 211 Cb 0.49 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1s4e h LEU 211 CO 0.10 0.19 -0.45 0.03 0.09 0.00 0.00 178.44 178.40 1s4e h ARG 212 N 0.64 0.77 -0.40 1.13 3.08 -1.17 -0.34 114.38 118.08 1s4e h ARG 212 Ca 0.54 -0.43 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1s4e h ARG 212 Cb 0.86 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 1s4e h ARG 212 CO -0.41 1.06 0.17 0.82 -1.07 0.00 0.00 179.97 180.54 1s4e h ILE 213 N 0.62 1.15 -0.01 2.04 2.04 -0.74 -2.84 117.51 119.77 1s4e h ILE 213 Ca 0.04 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1s4e h ILE 213 Cb 1.02 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1s4e h ILE 213 CO 0.10 0.18 -0.40 0.18 0.00 0.00 0.00 178.15 178.21 1s4e n LEU 214 N -4.39 1.00 -2.68 1.44 4.77 -0.88 -4.96 117.00 111.31 1s4e n LEU 214 Ca 0.03 -0.27 -0.20 0.00 -0.03 0.00 0.00 56.01 55.53 1s4e n LEU 214 Cb 0.13 -0.13 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1s4e n LEU 214 CO 0.37 0.20 -0.05 0.61 -1.33 0.00 0.00 177.39 177.19 1s4e n GLY 215 N 1.40 -0.43 3.57 -0.72 0.00 -0.19 -5.01 105.19 103.81 1s4e n GLY 215 Ca 0.09 0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 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 -5.49 1.94 -0.01 1.61 3.01 -0.90 -5.05 119.74 114.86 1s4e s LYS 216 Ca 0.23 -1.74 0.12 0.00 -1.01 0.00 0.00 55.97 53.57 1s4e s LYS 216 Cb -0.10 -1.88 -0.15 0.00 -1.01 0.00 0.00 37.83 34.69 1s4e s LYS 216 CO 0.28 0.23 0.39 0.39 0.51 0.00 0.00 175.35 177.15 1s4e n GLU 217 N -0.81 1.99 -4.06 1.68 1.02 -1.26 -4.58 120.64 114.63 1s4e n GLU 217 Ca -0.05 -0.05 -0.07 0.00 -0.02 0.00 0.00 57.16 56.97 1s4e n GLU 217 Cb 0.61 -1.14 -0.10 0.00 -0.02 0.00 0.00 31.44 30.79 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 -2.63 0.43 0.20 1.62 0.15 -1.26 -4.74 113.70 107.47 1s4e s SER 218 Ca 0.01 -0.92 0.26 0.00 0.70 0.00 0.00 55.95 56.00 1s4e s SER 218 Cb 0.08 0.20 0.82 0.00 -1.71 0.00 0.00 66.02 65.41 1s4e s SER 218 CO 0.48 -0.58 1.77 -1.54 1.20 0.00 0.00 173.24 174.56 1s4e n SER 219 N 0.24 0.77 -0.02 5.45 3.41 -0.10 -3.00 113.62 120.37 1s4e n SER 219 Ca -0.15 0.56 -0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1s4e n SER 219 Cb 0.61 -0.75 0.29 0.00 -0.26 0.00 0.00 64.21 64.10 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 0.56 -0.29 4.33 1.57 -1.82 -3.24 116.57 117.68 1s4e h LYS 220 Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1s4e h LYS 220 Cb 0.73 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1s4e h LYS 220 CO 0.00 0.57 0.00 0.39 -0.57 0.00 0.00 179.45 179.84 1s4e n GLU 221 N -4.29 0.53 -4.50 3.15 1.02 -1.16 -4.89 120.64 110.50 1s4e n GLU 221 Ca 0.02 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.88 1s4e n GLU 221 Cb 0.24 -1.14 -0.17 0.00 -0.02 0.00 0.00 31.44 30.35 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 -1.45 1.46 0.39 2.62 1.01 -1.23 -5.08 120.40 118.13 1s4e s VAL 222 Ca 0.00 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.43 1s4e s VAL 222 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 35.05 1s4e s VAL 222 CO 0.00 0.43 0.53 -0.89 0.00 0.00 0.00 175.10 175.17 1s4e s THR 223 N 0.92 3.33 0.17 3.92 2.01 -1.26 -5.00 115.64 119.74 1s4e s THR 223 Ca -0.08 -1.01 -0.12 0.00 0.31 0.00 0.00 61.69 60.79 1s4e s THR 223 Cb -0.15 -3.13 0.08 0.00 0.01 0.00 0.00 72.50 69.31 1s4e s THR 223 CO -0.00 -0.05 1.74 1.05 -0.69 0.00 0.00 174.62 176.66 1s4e h GLU 224 N 0.74 0.88 -0.53 4.92 9.09 -1.99 -2.52 114.58 125.15 1s4e h GLU 224 Ca -0.42 -0.15 -0.03 0.00 0.05 0.00 0.00 59.36 58.81 1s4e h GLU 224 Cb 1.27 -0.15 -0.03 0.00 -1.65 0.00 0.00 28.75 28.20 1s4e h GLU 224 CO 0.48 0.74 0.22 1.57 0.05 0.00 0.00 179.01 182.07 1s4e h LYS 225 N 0.82 0.77 0.11 1.06 5.09 -2.00 -1.91 116.57 120.49 1s4e h LYS 225 Ca 0.20 -0.11 0.01 0.00 0.09 0.00 0.00 60.65 60.85 1s4e h LYS 225 Cb 0.17 -0.14 -0.02 0.00 0.10 0.00 0.00 32.23 32.34 1s4e h LYS 225 CO -0.02 0.62 -0.18 -0.44 -2.09 0.00 0.00 179.45 177.34 1s4e h ASP 226 N 0.76 -0.50 -0.63 7.07 3.32 -1.90 -2.77 116.42 121.77 1s4e h ASP 226 Ca 0.18 0.06 0.13 0.00 0.02 0.00 0.00 57.03 57.42 1s4e h ASP 226 Cb 0.14 0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 1s4e h ASP 226 CO -0.02 -0.26 0.43 -0.07 -1.72 0.00 0.00 179.24 177.60 1s4e h LEU 227 N -0.35 0.28 -1.02 1.55 3.38 -0.93 0.82 115.31 119.04 1s4e h LEU 227 Ca 0.02 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1s4e h LEU 227 Cb 0.37 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1s4e h LEU 227 CO -0.10 0.16 0.66 1.23 0.09 0.00 0.00 178.44 180.48 1s4e h GLY 228 N 0.31 1.41 1.78 0.83 0.00 -1.16 -2.89 103.07 103.34 1s4e h GLY 228 Ca 0.30 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 47.12 1s4e h GLY 228 CO -0.07 0.51 0.10 0.50 0.00 0.00 0.00 176.54 177.57 1s4e h LYS 229 N 1.35 0.00 -6.94 4.80 6.56 -0.71 -3.44 116.57 118.18 1s4e h LYS 229 Ca 0.37 0.00 -0.48 0.00 -1.06 0.00 0.00 60.65 59.48 1s4e h LYS 229 Cb -0.15 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.51 1s4e h LYS 229 CO -0.08 0.00 0.21 -0.51 -2.06 0.00 0.00 179.45 177.01 1s4e s LEU 230 N -6.76 3.84 0.86 2.94 1.43 -1.09 -5.04 118.68 114.85 1s4e s LEU 230 Ca -0.05 1.35 -0.12 0.00 -1.03 0.00 0.00 54.13 54.29 1s4e s LEU 230 Cb 0.13 -4.23 0.11 0.00 0.03 0.00 0.00 46.19 42.24 1s4e s LEU 230 CO 0.45 -0.40 1.11 -2.84 0.23 0.00 0.00 176.35 174.90 1s4e s PRO 231 N -3.63 1.53 0.11 1.29 0.02 -1.26 -4.68 135.00 128.39 1s4e s PRO 231 Ca 0.55 0.55 -0.29 0.00 0.02 0.00 0.00 61.00 61.83 1s4e s PRO 231 Cb -0.10 -1.86 -0.10 0.00 0.02 0.00 0.00 34.50 32.46 1s4e s PRO 231 CO 0.26 -1.98 1.49 -1.35 -0.33 0.00 0.00 177.00 175.08 1s4e h PRO 232 N -1.35 -0.39 -0.27 5.54 0.11 -1.98 0.22 132.00 133.88 1s4e h PRO 232 Ca -0.49 0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 1s4e h PRO 232 Cb 1.29 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.49 1s4e h PRO 232 CO 0.59 -0.26 -0.14 1.25 -0.21 0.00 0.00 178.00 179.23 1s4e h LEU 233 N -0.40 0.60 -0.88 2.35 5.85 -1.99 -0.81 115.31 120.02 1s4e h LEU 233 Ca 0.05 -0.42 0.11 0.00 0.84 0.00 0.00 57.88 58.46 1s4e h LEU 233 Cb 0.55 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.33 1s4e h LEU 233 CO -0.49 0.89 0.52 0.45 -0.34 0.00 0.00 178.44 179.47 1s4e h HIS 234 N 0.32 0.94 -0.34 1.25 3.86 -1.83 -1.93 115.15 117.42 1s4e h HIS 234 Ca 0.06 0.03 -0.16 0.00 -1.16 0.00 0.00 60.37 59.14 1s4e h HIS 234 Cb 0.66 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 1s4e h HIS 234 CO 0.06 0.37 -0.42 -0.09 0.86 0.00 0.00 177.93 178.72 1s4e h ARG 235 N 0.85 0.85 0.10 2.45 2.43 0.03 -0.56 114.38 120.53 1s4e h ARG 235 Ca 0.43 -0.46 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1s4e h ARG 235 Cb 0.42 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1s4e h ARG 235 CO -0.26 1.10 -0.05 -0.22 -1.51 0.00 0.00 179.97 179.04 1s4e h LYS 236 N 0.69 -0.13 -0.28 0.20 3.64 -0.64 -1.96 116.57 118.08 1s4e h LYS 236 Ca 0.05 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 1s4e h LYS 236 Cb 1.00 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 1s4e h LYS 236 CO 0.10 0.16 -0.12 0.74 -2.27 0.00 0.00 179.45 178.06 1s4e h PHE 237 N -0.41 0.51 0.00 1.91 0.05 -1.31 -3.08 116.94 114.61 1s4e h PHE 237 Ca -0.01 -0.08 -0.12 0.00 3.82 0.00 0.00 57.97 61.58 1s4e h PHE 237 Cb 0.34 -0.14 -0.02 0.00 2.00 0.00 0.00 35.95 38.14 1s4e h PHE 237 CO 0.02 0.59 -0.75 0.35 -0.18 0.00 0.00 178.31 178.33 1s4e h PHE 238 N 0.44 0.00 -0.49 -0.55 3.57 -1.00 -3.05 116.94 115.87 1s4e h PHE 238 Ca 0.08 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1s4e h PHE 238 Cb 0.48 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1s4e h PHE 238 CO 0.02 0.51 0.21 0.77 -2.23 0.00 0.00 178.31 177.59 1s4e h SER 239 N 0.00 0.63 -0.14 0.41 0.02 -1.26 -1.78 113.55 111.42 1s4e h SER 239 Ca -0.04 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1s4e h SER 239 Cb 1.43 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 1s4e h SER 239 CO 0.06 0.56 0.07 0.22 -1.14 0.00 0.00 176.83 176.60 1s4e h TYR 240 N 0.70 0.21 -0.49 3.45 3.20 -1.53 -2.12 116.97 120.38 1s4e h TYR 240 Ca 0.17 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 1s4e h TYR 240 Cb 0.11 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 1s4e h TYR 240 CO 0.01 0.24 0.16 0.82 -1.64 0.00 0.00 178.16 177.75 1s4e h ILE 241 N 0.11 1.19 -0.34 1.81 2.04 -1.38 0.28 117.51 121.23 1s4e h ILE 241 Ca 0.05 -0.65 -0.09 0.00 1.00 0.00 0.00 64.86 65.18 1s4e h ILE 241 Cb 0.11 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1s4e h ILE 241 CO -0.01 0.25 -0.13 0.58 0.00 0.00 0.00 178.15 178.84 1s4e h VAL 242 N 0.70 1.28 -0.88 1.67 2.07 -1.27 -1.92 116.25 117.91 1s4e h VAL 242 Ca 0.17 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1s4e h VAL 242 Cb 0.19 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 1s4e h VAL 242 CO -0.01 0.40 0.52 0.03 0.02 0.00 0.00 177.57 178.52 1s4e h ARG 243 N 0.46 1.20 -0.54 1.57 3.08 -0.63 -2.97 114.38 116.54 1s4e h ARG 243 Ca 0.08 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 1s4e h ARG 243 Cb 0.65 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1s4e h ARG 243 CO 0.04 0.85 -0.05 0.93 -1.07 0.00 0.00 179.97 180.67 1s4e h GLU 244 N 1.21 0.97 -0.49 0.04 5.08 -0.08 -2.51 114.58 118.80 1s4e h GLU 244 Ca 0.31 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1s4e h GLU 244 Cb -0.03 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1s4e h GLU 244 CO -0.06 0.98 0.27 -0.91 -1.00 0.00 0.00 179.01 178.30 1s4e h ASN 245 N 0.88 0.58 -0.57 1.42 2.35 -1.30 -0.62 115.58 118.32 1s4e h ASN 245 Ca 0.15 -0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.76 1s4e h ASN 245 Cb 0.58 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 1s4e h ASN 245 CO 0.04 0.47 -0.05 0.00 -1.65 0.00 0.00 177.43 176.24 1s4e h ALA 246 N 1.63 0.78 -0.42 -0.83 0.00 -1.35 -2.88 119.26 116.18 1s4e h ALA 246 Ca 0.17 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1s4e h ALA 246 Cb 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1s4e h ALA 246 CO -0.03 0.65 -0.18 0.00 0.00 0.00 0.00 179.25 179.70 1s4e h ARG 247 N 0.93 0.85 -0.17 0.00 3.08 -0.74 -1.91 114.38 116.43 1s4e h ARG 247 Ca 0.16 -0.36 0.05 0.00 0.07 0.00 0.00 59.98 59.90 1s4e h ARG 247 Cb 0.61 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.57 1s4e h ARG 247 CO 0.04 1.00 -0.26 0.28 -1.07 0.00 0.00 179.97 179.96 1s4e h VAL 248 N 0.67 0.38 -0.99 2.04 2.07 -1.08 0.70 116.25 120.04 1s4e h VAL 248 Ca 0.10 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.78 1s4e h VAL 248 Cb 0.73 0.38 -0.09 0.00 -1.52 0.00 0.00 31.29 30.79 1s4e h VAL 248 CO 0.06 0.00 0.62 -0.07 0.02 0.00 0.00 177.57 178.19 1s4e h LEU 249 N -0.31 0.79 -0.29 2.57 3.38 -1.29 0.04 115.31 120.19 1s4e h LEU 249 Ca 0.11 0.07 -0.20 0.00 0.09 0.00 0.00 57.88 57.95 1s4e h LEU 249 Cb 0.48 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1s4e h LEU 249 CO -0.34 0.34 -0.79 -0.33 0.09 0.00 0.00 178.44 177.40 1s4e h GLU 250 N 0.80 0.50 -0.47 1.13 4.39 -0.09 -2.58 114.58 118.26 1s4e h GLU 250 Ca 0.53 -0.43 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 1s4e h GLU 250 Cb 0.78 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 1s4e h GLU 250 CO -0.31 1.07 0.15 0.28 -1.16 0.00 0.00 179.01 179.03 1s4e h VAL 251 N 0.33 1.23 -0.58 3.13 2.07 0.11 -1.73 116.25 120.80 1s4e h VAL 251 Ca -0.05 -0.75 0.10 0.00 0.82 0.00 0.00 66.70 66.81 1s4e h VAL 251 Cb 1.39 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 31.92 1s4e h VAL 251 CO 0.14 0.27 0.17 -0.09 0.02 0.00 0.00 177.57 178.09 1s4e h ARG 252 N 0.63 0.32 -0.33 1.57 2.43 -0.89 0.34 114.38 118.44 1s4e h ARG 252 Ca 0.15 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.16 1s4e h ARG 252 Cb 0.27 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1s4e h ARG 252 CO -0.00 0.21 -0.37 -0.44 -1.51 0.00 0.00 179.97 177.86 1s4e h ASP 253 N 0.33 0.82 0.10 -3.80 3.32 -1.39 -2.47 116.42 113.33 1s4e h ASP 253 Ca 0.29 -0.36 -0.16 0.00 0.02 0.00 0.00 57.03 56.82 1s4e h ASP 253 Cb 0.39 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1s4e h ASP 253 CO -0.33 1.10 -0.58 0.00 -1.72 0.00 0.00 179.24 177.70 1s4e h ALA 254 N 0.94 0.70 -0.24 3.45 0.00 -0.37 -3.03 119.26 120.71 1s4e h ALA 254 Ca 0.06 -0.53 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 1s4e h ALA 254 Cb 0.92 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1s4e h ALA 254 CO 0.08 0.70 -0.41 1.25 0.00 0.00 0.00 179.25 180.88 1s4e h LEU 255 N 0.37 0.61 -0.46 0.00 6.46 -0.38 -1.32 115.31 120.59 1s4e h LEU 255 Ca -0.00 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.49 1s4e h LEU 255 Cb 1.12 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.88 1s4e h LEU 255 CO 0.11 0.95 0.00 0.29 -0.62 0.00 0.00 178.44 179.16 1s4e n LYS 256 N -4.03 0.16 -0.31 1.25 5.02 -0.93 -1.21 118.16 118.11 1s4e n LYS 256 Ca -0.02 0.35 0.07 0.00 -2.02 0.00 0.00 58.31 56.69 1s4e n LYS 256 Cb 0.52 -1.78 0.20 0.00 -0.02 0.00 0.00 35.03 33.95 1s4e n LYS 256 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1s4e n GLU 257 N -2.07 2.88 -1.60 1.97 1.02 -1.11 -4.99 120.64 116.75 1s4e n GLU 257 Ca 0.03 -2.44 -0.18 0.00 -0.02 0.00 0.00 57.16 54.54 1s4e n GLU 257 Cb 0.25 -1.56 -0.07 0.00 -0.02 0.00 0.00 31.44 30.04 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 -0.06 1.59 3.19 0.62 0.00 -0.35 -4.90 105.19 105.28 1s4e n GLY 258 Ca 0.16 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.97 4.82 0.17 1.61 -0.08 -0.53 -4.77 116.55 116.80 1s4e n ASP 259 Ca -0.18 -2.96 0.13 0.00 -1.51 0.00 0.00 54.79 50.26 1s4e n ASP 259 Cb 0.60 -1.62 0.56 0.00 2.34 0.00 0.00 41.12 43.00 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 4.54 0.00 -0.19 5.18 6.09 -1.91 -1.96 117.51 129.27 1s4e h ILE 260 Ca 0.43 -0.27 -0.11 0.00 -1.37 0.00 0.00 64.86 63.54 1s4e h ILE 260 Cb 0.76 1.04 -0.00 0.00 0.47 0.00 0.00 36.82 39.09 1s4e h ILE 260 CO 1.54 0.00 -0.32 -0.33 -3.07 0.00 0.00 178.15 175.96 1s4e h GLU 261 N 0.00 0.55 -0.19 2.19 3.07 -1.94 -2.60 114.58 115.66 1s4e h GLU 261 Ca 0.00 -0.34 -0.07 0.00 -0.50 0.00 0.00 59.36 58.45 1s4e h GLU 261 Cb 0.36 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1s4e h GLU 261 CO 0.00 0.95 -0.15 -0.22 -1.40 0.00 0.00 179.01 178.19 1s4e h LYS 262 N 0.21 0.44 -0.63 2.33 3.64 -1.82 -1.69 116.57 119.06 1s4e h LYS 262 Ca 0.01 -0.22 0.12 0.00 -1.27 0.00 0.00 60.65 59.30 1s4e h LYS 262 Cb 0.91 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.64 1s4e h LYS 262 CO 0.07 0.77 0.12 0.28 -2.27 0.00 0.00 179.45 178.42 1s4e h VAL 263 N 0.12 0.59 -0.48 2.00 2.07 -1.47 -1.92 116.25 117.16 1s4e h VAL 263 Ca 0.04 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 1s4e h VAL 263 Cb 0.67 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1s4e h VAL 263 CO 0.04 0.04 0.11 1.23 0.02 0.00 0.00 177.57 179.01 1s4e h GLY 264 N 0.24 0.84 0.99 2.17 0.00 -1.25 -1.84 103.07 104.22 1s4e h GLY 264 Ca 0.33 -0.53 0.02 0.00 0.00 0.00 0.00 47.33 47.15 1s4e h GLY 264 CO -0.44 0.49 0.66 0.50 0.00 0.00 0.00 176.54 177.75 1s4e h LYS 265 N 0.66 1.29 -0.15 4.80 1.57 -0.82 -2.50 116.57 121.42 1s4e h LYS 265 Ca 0.15 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1s4e h LYS 265 Cb 0.34 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1s4e h LYS 265 CO 0.00 0.85 0.00 0.82 -0.57 0.00 0.00 179.45 180.56 1s4e h ILE 266 N 1.33 1.25 -0.56 1.86 2.04 -0.86 -1.88 117.51 120.69 1s4e h ILE 266 Ca 0.37 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.43 1s4e h ILE 266 Cb -0.12 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 1s4e h ILE 266 CO -0.09 0.24 0.35 -0.07 0.00 0.00 0.00 178.15 178.58 1s4e h LEU 267 N 0.01 0.57 -1.10 1.44 3.38 -1.07 -1.60 115.31 116.94 1s4e h LEU 267 Ca 0.04 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1s4e h LEU 267 Cb 0.37 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1s4e h LEU 267 CO 0.01 0.40 0.31 0.74 0.09 0.00 0.00 178.44 179.99 1s4e h THR 268 N 0.69 1.22 -0.03 0.22 2.02 -1.36 0.41 112.91 116.08 1s4e h THR 268 Ca 0.22 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 1s4e h THR 268 Cb -0.01 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1s4e h THR 268 CO -0.08 0.26 0.01 0.74 0.37 0.00 0.00 175.52 176.82 1s4e h THR 269 N 0.94 1.12 -0.83 3.16 2.02 -0.60 -2.35 112.91 116.38 1s4e h THR 269 Ca 0.23 -0.36 0.16 0.00 0.77 0.00 0.00 66.41 67.20 1s4e h THR 269 Cb 0.11 1.31 -0.10 0.00 -1.74 0.00 0.00 68.15 67.74 1s4e h THR 269 CO -0.03 0.10 0.39 0.00 0.37 0.00 0.00 175.52 176.35 1s4e h ALA 270 N 0.87 1.25 -0.65 6.16 0.00 -1.02 -0.53 119.26 125.34 1s4e h ALA 270 Ca 0.01 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1s4e h ALA 270 Cb 0.15 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1s4e h ALA 270 CO -0.00 -0.18 0.24 1.25 0.00 0.00 0.00 179.25 180.56 1s4e h HIS 271 N 0.52 1.00 0.00 0.00 6.17 -0.38 0.01 115.15 122.48 1s4e h HIS 271 Ca 0.47 -0.08 0.00 0.00 0.71 0.00 0.00 60.37 61.47 1s4e h HIS 271 Cb 0.73 -0.30 0.00 0.00 2.52 0.00 0.00 27.41 30.36 1s4e h HIS 271 CO -0.12 0.80 0.00 -1.49 0.71 0.00 0.00 177.93 177.82 1s4e h TRP 272 N 0.92 0.00 0.05 5.26 4.06 -1.16 0.09 115.95 125.18 1s4e h TRP 272 Ca 0.21 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.16 1s4e h TRP 272 Cb 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.39 1s4e h TRP 272 CO 0.02 0.00 -0.02 0.22 -3.56 0.00 0.00 178.44 175.09 1s4e h ASP 273 N 0.00 -0.06 -0.80 -3.49 3.58 0.54 -2.04 116.42 114.16 1s4e h ASP 273 Ca 0.00 -0.59 0.19 0.00 0.42 0.00 0.00 57.03 57.05 1s4e h ASP 273 Cb 0.57 0.02 -0.13 0.00 1.72 0.00 0.00 39.33 41.51 1s4e h ASP 273 CO 0.00 0.62 0.13 -0.07 -2.88 0.00 0.00 179.24 177.04 1s4e h LEU 274 N -0.79 -0.13 -0.02 2.28 3.38 -0.99 -0.89 115.31 118.15 1s4e h LEU 274 Ca -0.01 0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1s4e h LEU 274 Cb 0.64 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1s4e h LEU 274 CO 0.01 -0.13 -0.15 0.00 0.09 0.00 0.00 178.44 178.26 1s4e h ALA 275 N 1.71 0.04 0.00 1.53 0.00 -0.93 -0.08 119.26 121.53 1s4e h ALA 275 Ca 0.46 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1s4e h ALA 275 Cb 0.86 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1s4e h ALA 275 CO -0.62 -0.01 -1.06 1.05 0.00 0.00 0.00 179.25 178.61 1s4e h GLU 276 N -0.49 0.00 0.00 0.00 9.09 -1.38 -3.30 114.58 118.50 1s4e h GLU 276 Ca -0.01 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.36 1s4e h GLU 276 Cb 0.84 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.93 1s4e h GLU 276 CO 0.03 0.10 -1.12 0.09 0.05 0.00 0.00 179.01 178.16 1s4e n ASN 277 N -2.78 1.21 0.12 3.06 3.02 -0.36 -4.64 115.26 114.90 1s4e n ASN 277 Ca -0.03 0.02 0.12 0.00 -0.03 0.00 0.00 54.58 54.66 1s4e n ASN 277 Cb 0.64 -0.06 0.26 0.00 -0.61 0.00 0.00 39.78 40.01 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 -0.06 0.00 -5.34 3.10 3.20 -1.45 -3.43 116.97 113.00 1s4e h TYR 278 Ca -0.05 0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.50 1s4e h TYR 278 Cb 1.06 0.00 0.15 0.00 1.54 0.00 0.00 36.73 39.47 1s4e h TYR 278 CO -0.00 0.00 -0.68 0.54 -1.64 0.00 0.00 178.16 176.38 1s4e n ARG 279 N -2.43 -6.34 -0.13 1.82 3.00 -0.06 -4.96 116.66 107.57 1s4e n ARG 279 Ca 0.04 0.77 0.03 0.00 -0.01 0.00 0.00 57.85 58.68 1s4e n ARG 279 Cb 0.46 -5.57 0.04 0.00 0.00 0.00 0.00 32.46 27.40 1s4e n ARG 279 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 1s4e n VAL 280 N -4.08 0.86 -2.56 1.55 0.24 -1.10 -5.00 118.33 108.23 1s4e n VAL 280 Ca -0.20 -0.97 0.00 0.00 -2.04 0.00 0.00 64.34 61.13 1s4e n VAL 280 Cb 0.63 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 33.38 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 -0.58 0.00 -3.72 -1.34 2.88 -1.26 0.44 113.62 110.04 1s4e n SER 281 Ca 0.05 -0.61 -0.06 0.00 -1.33 0.00 0.00 58.87 56.93 1s4e n SER 281 Cb 0.51 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 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 283 N -0.43 -0.06 0.07 0.00 4.07 -1.26 -1.82 120.64 121.21 1s4e n GLU 283 Ca -0.07 1.32 -0.23 0.00 -0.06 0.00 0.00 57.16 58.13 1s4e n GLU 283 Cb 0.61 -2.35 -0.15 0.00 -0.06 0.00 0.00 31.44 29.49 1s4e n GLU 283 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 1s4e h GLU 284 N 0.00 0.38 -0.30 5.31 9.09 -1.99 -2.64 114.58 124.43 1s4e h GLU 284 Ca 0.78 -0.64 0.02 0.00 0.05 0.00 0.00 59.36 59.56 1s4e h GLU 284 Cb 2.03 0.24 -0.02 0.00 -1.65 0.00 0.00 28.75 29.35 1s4e h GLU 284 CO -0.75 1.30 0.16 -0.07 0.05 0.00 0.00 179.01 179.70 1s4e h LEU 285 N 0.10 0.24 -1.84 3.06 3.38 -1.78 -1.56 115.31 116.91 1s4e h LEU 285 Ca -0.35 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.65 1s4e h LEU 285 Cb 2.09 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.79 1s4e h LEU 285 CO 0.17 0.18 0.15 0.44 0.09 0.00 0.00 178.44 179.47 1s4e h ASP 286 N 0.33 0.18 -0.20 -0.43 3.32 -1.43 -1.61 116.42 116.58 1s4e h ASP 286 Ca 0.12 -0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.00 1s4e h ASP 286 Cb 0.02 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1s4e h ASP 286 CO -0.07 0.13 -0.52 0.15 -1.72 0.00 0.00 179.24 177.20 1s4e h PHE 287 N 0.21 0.91 -0.09 4.55 3.57 -1.04 -1.71 116.94 123.34 1s4e h PHE 287 Ca 0.09 -0.35 0.03 0.00 3.53 0.00 0.00 57.97 61.27 1s4e h PHE 287 Cb 0.09 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 1s4e h PHE 287 CO -0.00 1.14 -0.13 0.35 -2.23 0.00 0.00 178.31 177.45 1s4e h PHE 288 N 0.41 -0.33 0.23 0.41 3.57 -0.48 -2.12 116.94 118.62 1s4e h PHE 288 Ca -0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1s4e h PHE 288 Cb 1.13 0.16 0.00 0.00 2.79 0.00 0.00 35.95 40.04 1s4e h PHE 288 CO 0.09 -0.19 -0.11 0.28 -2.23 0.00 0.00 178.31 176.15 1s4e h VAL 289 N -0.17 0.80 -0.98 1.41 2.07 -1.24 -1.40 116.25 116.75 1s4e h VAL 289 Ca 0.08 -0.12 0.28 0.00 0.82 0.00 0.00 66.70 67.75 1s4e h VAL 289 Cb 0.28 0.87 -0.14 0.00 -1.52 0.00 0.00 31.29 30.79 1s4e h VAL 289 CO -0.20 0.03 0.52 0.11 0.02 0.00 0.00 177.57 178.05 1s4e h LYS 290 N -0.36 0.39 0.01 1.57 6.56 -1.22 -2.62 116.57 120.90 1s4e h LYS 290 Ca -0.03 -0.02 -0.09 0.00 -1.06 0.00 0.00 60.65 59.44 1s4e h LYS 290 Cb 0.28 -0.09 0.01 0.00 -0.57 0.00 0.00 32.23 31.86 1s4e h LYS 290 CO 0.05 0.26 -0.36 0.87 -2.06 0.00 0.00 179.45 178.21 1s4e h LYS 291 N 0.41 0.23 -1.19 3.15 6.56 -0.77 -2.16 116.57 122.79 1s4e h LYS 291 Ca 0.67 -0.26 0.00 0.00 -1.06 0.00 0.00 60.65 60.00 1s4e h LYS 291 Cb 1.40 0.08 0.00 0.00 -0.57 0.00 0.00 32.23 33.13 1s4e h LYS 291 CO -0.56 0.99 0.00 0.00 -2.06 0.00 0.00 179.45 177.82 1s4e n ALA 292 N -2.56 0.93 0.00 3.86 0.00 -0.58 -1.18 120.51 120.97 1s4e n ALA 292 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1s4e n ALA 292 Cb 0.57 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.33 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 0.70 0.00 -0.31 0.00 1.02 -0.81 -1.33 120.64 119.90 1s4e n GLU 294 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 1s4e n GLU 294 Cb 0.00 0.00 0.28 0.00 -0.02 0.00 0.00 31.44 31.70 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 3.46 0.00 -4.62 4.77 -0.33 -4.95 117.00 115.33 1s4e n LEU 295 Ca 0.00 -1.69 0.00 0.00 -0.03 0.00 0.00 56.01 54.29 1s4e n LEU 295 Cb 0.00 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1s4e n LEU 295 CO 0.00 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1s4e n GLY 296 N 1.53 0.86 3.70 -0.72 0.00 -0.84 -5.02 105.19 104.70 1s4e n GLY 296 Ca 0.22 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 1s4e n GLY 296 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s4e n ALA 297 N -1.31 0.69 0.11 4.61 0.00 -0.45 -4.95 120.51 119.22 1s4e n ALA 297 Ca 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.21 1s4e n ALA 297 Cb 0.00 -2.28 -0.08 0.00 0.00 0.00 0.00 19.45 17.09 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 0.10 -0.25 -3.23 0.00 -1.99 -1.37 -3.47 116.97 106.75 1s4e h TYR 298 Ca -0.49 -0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.25 1s4e h TYR 298 Cb 1.33 0.08 -0.06 0.00 2.00 0.00 0.00 36.73 40.08 1s4e h TYR 298 CO 0.42 0.03 0.11 0.20 -0.00 0.00 0.00 178.16 178.92 1s4e s GLY 299 N -2.61 0.17 0.10 3.88 0.00 -1.25 -4.01 107.32 103.60 1s4e s GLY 299 Ca -0.15 -0.55 -0.12 0.00 0.00 0.00 0.00 44.72 43.90 1s4e s GLY 299 CO 0.61 -0.30 0.30 0.00 0.00 0.00 0.00 173.10 173.71 1s4e s ALA 300 N -3.82 -0.58 -0.26 3.20 0.00 -1.26 -1.03 121.76 117.99 1s4e s ALA 300 Ca 0.15 -0.31 -0.26 0.00 0.00 0.00 0.00 51.96 51.54 1s4e s ALA 300 Cb -0.04 0.57 0.14 0.00 0.00 0.00 0.00 23.12 23.79 1s4e s ALA 300 CO 0.08 -0.57 1.14 0.50 0.00 0.00 0.00 175.76 176.91 1s4e s ARG 301 N -3.76 0.39 0.82 0.00 3.52 -0.48 -3.46 118.95 115.99 1s4e s ARG 301 Ca 0.03 0.37 -0.13 0.00 -0.13 0.00 0.00 55.73 55.88 1s4e s ARG 301 Cb 0.03 0.19 0.09 0.00 -1.56 0.00 0.00 34.95 33.70 1s4e s ARG 301 CO -0.11 -0.07 1.19 -0.48 -0.81 0.00 0.00 175.30 175.02 1s4e s LEU 302 N -0.12 3.09 0.06 -0.88 0.05 -1.26 -0.14 118.68 119.48 1s4e s LEU 302 Ca 0.04 2.30 0.03 0.00 0.05 0.00 0.00 54.13 56.54 1s4e s LEU 302 Cb -0.04 -4.58 -0.03 0.00 -2.05 0.00 0.00 46.19 39.49 1s4e s LEU 302 CO -0.07 -2.69 -0.10 0.28 -0.55 0.00 0.00 176.35 173.22 1s4e s THR 303 N -2.29 0.78 0.00 5.48 -1.32 -0.78 -4.68 115.64 112.83 1s4e s THR 303 Ca 0.71 -1.24 0.00 0.00 -1.21 0.00 0.00 61.69 59.95 1s4e s THR 303 Cb -0.27 -0.88 0.00 0.00 -1.51 0.00 0.00 72.50 69.84 1s4e s THR 303 CO 0.52 -0.36 0.00 0.61 -2.21 0.00 0.00 174.62 173.17 1s4e n GLY 304 N 1.25 -0.06 0.17 6.08 0.00 -1.26 -4.40 105.19 106.97 1s4e n GLY 304 Ca -0.21 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.31 0.47 0.00 4.61 0.00 -1.93 -3.45 119.26 118.65 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 -1.58 3.16 0.00 0.00 -1.26 -4.90 105.19 101.38 1s4e n GLY 306 Ca -0.05 -2.06 -0.23 0.00 0.00 0.00 0.00 46.02 43.68 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 -2.03 0.00 1.61 3.01 0.17 -4.50 117.46 115.72 1s4e n PHE 307 Ca 0.00 0.57 0.00 0.00 1.01 0.00 0.00 57.45 59.03 1s4e n PHE 307 Cb 0.00 -4.25 0.00 0.00 -0.01 0.00 0.00 39.48 35.22 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 -1.51 0.44 6.14 1.37 0.00 -1.26 -4.05 105.19 106.32 1s4e n GLY 308 Ca -0.08 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.07 3.61 -0.02 0.00 -0.48 -4.91 105.19 103.31 1s4e n GLY 309 Ca 0.00 -1.14 -0.26 0.00 0.00 0.00 0.00 46.02 44.62 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 4.01 0.18 1.61 0.01 -1.03 -1.71 113.70 112.77 1s4e s SER 310 Ca 0.00 -1.15 0.02 0.00 1.31 0.00 0.00 55.95 56.13 1s4e s SER 310 Cb 0.00 -0.44 -0.05 0.00 0.21 0.00 0.00 66.02 65.74 1s4e s SER 310 CO 0.00 -0.31 0.00 0.00 0.41 0.00 0.00 173.24 173.34 1s4e s ALA 311 N -2.60 1.43 0.21 1.44 0.00 0.21 -1.86 121.76 120.58 1s4e s ALA 311 Ca 0.35 -1.62 0.10 0.00 0.00 0.00 0.00 51.96 50.79 1s4e s ALA 311 Cb 0.03 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 1s4e s ALA 311 CO 0.19 -0.31 -0.14 0.96 0.00 0.00 0.00 175.76 176.45 1s4e s ILE 312 N -3.62 2.88 0.05 0.00 -4.36 0.80 0.12 121.20 117.07 1s4e s ILE 312 Ca 0.25 -1.89 0.02 0.00 -0.26 0.00 0.00 60.65 58.76 1s4e s ILE 312 Cb 0.06 -2.44 -0.03 0.00 1.25 0.00 0.00 42.46 41.30 1s4e s ILE 312 CO 0.05 -0.18 -0.07 0.00 0.24 0.00 0.00 174.94 174.99 1s4e s ALA 313 N -1.87 0.54 -0.11 2.27 0.00 -0.11 -1.38 121.76 121.11 1s4e s ALA 313 Ca 0.25 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.35 1s4e s ALA 313 Cb -0.08 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 1s4e s ALA 313 CO 0.14 -0.09 0.02 -0.51 0.00 0.00 0.00 175.76 175.32 1s4e s LEU 314 N -1.82 3.65 -0.09 0.00 1.43 -0.20 -0.45 118.68 121.20 1s4e s LEU 314 Ca -0.07 0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.86 1s4e s LEU 314 Cb -0.07 -1.85 0.10 0.00 0.03 0.00 0.00 46.19 44.39 1s4e s LEU 314 CO -0.01 0.34 0.83 -0.69 0.23 0.00 0.00 176.35 177.05 1s4e s VAL 315 N -0.64 0.00 0.26 -1.59 1.01 -0.61 -0.93 120.40 117.90 1s4e s VAL 315 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 1s4e s VAL 315 Cb -0.12 -1.00 -0.09 0.00 0.00 0.00 0.00 36.38 35.17 1s4e s VAL 315 CO 0.02 0.00 1.27 -1.81 0.00 0.00 0.00 175.10 174.59 1s4e s ASP 316 N -1.24 6.92 0.33 3.32 1.01 -1.26 -0.22 116.67 125.53 1s4e s ASP 316 Ca -0.06 2.48 0.09 0.00 0.71 0.00 0.00 52.55 55.77 1s4e s ASP 316 Cb -0.00 -2.63 0.85 0.00 1.01 0.00 0.00 42.92 42.15 1s4e s ASP 316 CO 0.05 -0.46 1.78 0.50 0.21 0.00 0.00 175.17 177.25 1s4e h LYS 317 N 4.44 0.63 0.00 8.23 3.64 -1.45 -0.17 116.57 131.89 1s4e h LYS 317 Ca -0.46 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1s4e h LYS 317 Cb 1.22 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1s4e h LYS 317 CO 0.71 0.42 -0.39 -0.40 -2.27 0.00 0.00 179.45 177.52 1s4e n ASP 318 N -4.73 0.49 -0.18 4.20 3.85 -1.26 -2.71 116.55 116.21 1s4e n ASP 318 Ca 0.24 0.10 0.11 0.00 -0.71 0.00 0.00 54.79 54.53 1s4e n ASP 318 Cb 0.65 -0.03 0.08 0.00 -1.35 0.00 0.00 41.12 40.47 1s4e n ASP 318 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1s4e n LYS 319 N -1.77 0.49 -0.04 0.11 4.01 -0.13 -4.78 118.16 116.05 1s4e n LYS 319 Ca 0.05 -0.37 -0.12 0.00 -0.51 0.00 0.00 58.31 57.36 1s4e n LYS 319 Cb 0.38 -1.49 -0.07 0.00 -0.51 0.00 0.00 35.03 33.34 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 3.37 0.16 -0.97 7.82 0.00 -1.20 -2.08 119.26 126.36 1s4e h ALA 320 Ca 0.00 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1s4e h ALA 320 Cb 0.57 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1s4e h ALA 320 CO 0.00 -0.13 0.63 -0.22 0.00 0.00 0.00 179.25 179.53 1s4e h LYS 321 N -0.08 1.14 -0.37 0.00 3.64 -1.86 -0.32 116.57 118.73 1s4e h LYS 321 Ca 0.03 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 1s4e h LYS 321 Cb 0.40 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1s4e h LYS 321 CO 0.01 0.76 -0.14 1.15 -2.27 0.00 0.00 179.45 178.96 1s4e h THR 322 N 1.18 1.28 0.19 1.00 2.02 -1.84 -0.05 112.91 116.69 1s4e h THR 322 Ca 0.40 -1.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 1s4e h THR 322 Cb 0.08 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1s4e h THR 322 CO -0.15 0.41 -0.09 0.40 0.37 0.00 0.00 175.52 176.46 1s4e h ILE 323 N 0.53 0.90 -0.84 3.11 2.04 -1.10 -2.67 117.51 119.48 1s4e h ILE 323 Ca 0.09 -0.47 0.09 0.00 1.00 0.00 0.00 64.86 65.56 1s4e h ILE 323 Cb 0.67 1.18 -0.07 0.00 -0.74 0.00 0.00 36.82 37.86 1s4e h ILE 323 CO 0.05 0.11 0.50 1.23 0.00 0.00 0.00 178.15 180.03 1s4e h GLY 324 N -0.49 1.30 1.79 5.37 0.00 -1.03 -1.70 103.07 108.31 1s4e h GLY 324 Ca -0.03 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 1s4e h GLY 324 CO 0.04 0.17 -0.29 -0.55 0.00 0.00 0.00 176.54 175.91 1s4e h ASP 325 N 0.85 0.25 0.31 0.19 3.32 -0.93 -1.24 116.42 119.17 1s4e h ASP 325 Ca 0.40 -0.08 -0.21 0.00 0.02 0.00 0.00 57.03 57.16 1s4e h ASP 325 Cb 0.32 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 1s4e h ASP 325 CO -0.23 0.54 -0.85 0.00 -1.72 0.00 0.00 179.24 176.99 1s4e h ALA 326 N 1.48 0.47 0.02 3.45 0.00 -0.99 -1.52 119.26 122.17 1s4e h ALA 326 Ca 0.03 -0.67 -0.14 0.00 0.00 0.00 0.00 54.91 54.13 1s4e h ALA 326 Cb 0.64 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1s4e h ALA 326 CO 0.05 0.80 -0.58 0.82 0.00 0.00 0.00 179.25 180.34 1s4e h ILE 327 N 0.25 1.47 -0.58 0.00 2.04 -1.13 -2.30 117.51 117.25 1s4e h ILE 327 Ca -0.06 -2.15 0.12 0.00 1.00 0.00 0.00 64.86 63.77 1s4e h ILE 327 Cb 1.46 2.75 -0.09 0.00 -0.74 0.00 0.00 36.82 40.19 1s4e h ILE 327 CO 0.15 0.61 0.04 0.25 0.00 0.00 0.00 178.15 179.20 1s4e h LEU 328 N -0.23 -0.18 -0.59 1.44 6.46 -1.24 0.24 115.31 121.22 1s4e h LEU 328 Ca -0.08 0.13 -0.13 0.00 -0.12 0.00 0.00 57.88 57.69 1s4e h LEU 328 Cb 1.32 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 41.46 1s4e h LEU 328 CO 0.11 -0.07 -0.25 0.03 -0.62 0.00 0.00 178.44 177.64 1s4e h ARG 329 N 0.16 0.86 0.03 1.25 3.08 -1.23 -1.62 114.38 116.91 1s4e h ARG 329 Ca 0.30 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1s4e h ARG 329 Cb 0.48 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1s4e h ARG 329 CO -0.47 1.01 -0.02 1.05 -1.07 0.00 0.00 179.97 180.48 1s4e h GLU 330 N 0.74 -0.04 -0.45 0.04 9.09 -1.07 -3.10 114.58 119.79 1s4e h GLU 330 Ca 0.09 0.00 0.08 0.00 0.05 0.00 0.00 59.36 59.59 1s4e h GLU 330 Cb 0.79 0.01 -0.07 0.00 -1.65 0.00 0.00 28.75 27.83 1s4e h GLU 330 CO 0.07 0.45 0.04 -0.92 0.05 0.00 0.00 179.01 178.69 1s4e h TYR 331 N -0.55 0.05 0.00 2.06 3.20 -0.91 -1.57 116.97 119.24 1s4e h TYR 331 Ca -0.00 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1s4e h TYR 331 Cb 0.51 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 1s4e h TYR 331 CO 0.10 -0.06 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.37 1s4e h LEU 332 N 0.16 0.00 0.00 2.82 4.07 -1.38 0.38 115.31 121.36 1s4e h LEU 332 Ca 0.22 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.18 1s4e h LEU 332 Cb 0.31 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.05 1s4e h LEU 332 CO -0.34 0.12 -0.21 0.00 -1.08 0.00 0.00 178.44 176.93 1s4e h ALA 333 N 1.88 0.89 0.06 1.53 0.00 -1.22 -3.33 119.26 119.07 1s4e h ALA 333 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 1s4e h ALA 333 Cb 0.37 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1s4e h ALA 333 CO 0.02 0.00 -1.98 1.17 0.00 0.00 0.00 179.25 178.46 1s4e n LYS 334 N -2.94 0.70 -4.32 0.00 4.81 -0.26 -5.00 118.16 111.15 1s4e n LYS 334 Ca 0.03 0.24 -0.24 0.00 -0.87 0.00 0.00 58.31 57.47 1s4e n LYS 334 Cb 0.53 -1.70 -0.13 0.00 0.02 0.00 0.00 35.03 33.74 1s4e n LYS 334 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1s4e s PHE 335 N -2.56 1.80 -1.09 5.64 0.40 -0.04 -5.05 117.98 117.08 1s4e s PHE 335 Ca -0.17 -0.41 0.24 0.00 -0.60 0.00 0.00 56.93 55.99 1s4e s PHE 335 Cb 0.07 -1.00 0.36 0.00 0.51 0.00 0.00 43.02 42.96 1s4e s PHE 335 CO 0.78 0.20 1.31 -1.13 0.70 0.00 0.00 175.22 177.08 1s4e n SER 336 N 1.14 0.69 -4.55 1.36 3.41 -1.26 -4.42 113.62 109.99 1s4e n SER 336 Ca -0.19 -0.50 -0.34 0.00 -0.26 0.00 0.00 58.87 57.57 1s4e n SER 336 Cb 0.53 0.41 0.10 0.00 -0.26 0.00 0.00 64.21 64.99 1s4e n SER 336 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1s4e n TRP 337 N -1.39 -0.04 -2.61 7.33 7.02 -1.26 -4.88 117.44 121.62 1s4e n TRP 337 Ca 0.06 0.35 -0.43 0.00 -1.02 0.00 0.00 57.50 56.46 1s4e n TRP 337 Cb 0.34 -1.97 0.00 0.00 -2.42 0.00 0.00 31.31 27.26 1s4e n TRP 337 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1s4e n LYS 338 N -2.00 3.39 -3.02 -0.99 4.01 -1.26 -4.92 118.16 113.36 1s4e n LYS 338 Ca 0.11 -3.57 -0.33 0.00 -0.51 0.00 0.00 58.31 54.01 1s4e n LYS 338 Cb 0.51 -3.09 -0.06 0.00 -0.51 0.00 0.00 35.03 31.88 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 1.67 3.23 0.00 7.82 0.00 -1.26 -4.20 121.76 129.02 1s4e s ALA 339 Ca 0.44 0.18 -0.03 0.00 0.00 0.00 0.00 51.96 52.54 1s4e s ALA 339 Cb 0.03 -2.91 -0.01 0.00 0.00 0.00 0.00 23.12 20.24 1s4e s ALA 339 CO 0.01 0.26 0.06 0.15 0.00 0.00 0.00 175.76 176.23 1s4e s LYS 340 N -2.98 0.34 0.16 0.00 3.01 -1.09 -4.98 119.74 114.20 1s4e s LYS 340 Ca 0.56 -0.40 0.08 0.00 -1.01 0.00 0.00 55.97 55.21 1s4e s LYS 340 Cb -0.10 0.13 -0.04 0.00 -1.01 0.00 0.00 37.83 36.81 1s4e s LYS 340 CO 0.16 -0.07 -0.19 1.52 0.51 0.00 0.00 175.35 177.29 1s4e s TYR 341 N -1.17 1.82 -0.00 3.18 -0.85 -1.26 -1.12 117.35 117.95 1s4e s TYR 341 Ca -0.13 -0.46 0.02 0.00 -0.52 0.00 0.00 57.07 55.98 1s4e s TYR 341 Cb -0.07 -0.92 -0.00 0.00 0.38 0.00 0.00 41.96 41.34 1s4e s TYR 341 CO 0.00 0.32 -0.05 -0.06 -1.52 0.00 0.00 175.55 174.24 1s4e s PHE 342 N -1.96 0.46 -0.26 -3.49 0.40 0.28 -5.00 117.98 108.41 1s4e s PHE 342 Ca 0.15 -0.10 -0.11 0.00 -0.60 0.00 0.00 56.93 56.27 1s4e s PHE 342 Cb -0.06 -0.30 -0.05 0.00 0.51 0.00 0.00 43.02 43.12 1s4e s PHE 342 CO 0.06 -0.01 0.18 0.08 0.70 0.00 0.00 175.22 176.23 1s4e s VAL 343 N -0.16 5.31 0.01 -0.44 1.01 -1.26 -1.11 120.40 123.76 1s4e s VAL 343 Ca 0.02 0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.24 1s4e s VAL 343 Cb -0.02 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 1s4e s VAL 343 CO -0.00 0.29 -0.23 -0.69 0.00 0.00 0.00 175.10 174.46 1s4e s VAL 344 N 1.50 1.87 -0.11 2.92 1.01 -1.08 -5.02 120.40 121.50 1s4e s VAL 344 Ca 0.07 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.92 1s4e s VAL 344 Cb -0.15 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 1s4e s VAL 344 CO 0.08 0.42 -0.11 -1.59 0.00 0.00 0.00 175.10 173.91 1s4e s LYS 345 N -0.84 3.16 0.17 2.72 -2.85 -1.26 -4.07 119.74 116.77 1s4e s LYS 345 Ca 0.09 -0.63 -0.32 0.00 -1.00 0.00 0.00 55.97 54.11 1s4e s LYS 345 Cb -0.09 -2.63 -0.12 0.00 -2.06 0.00 0.00 37.83 32.93 1s4e s LYS 345 CO 0.00 0.37 1.73 -2.30 0.10 0.00 0.00 175.35 175.26 1s4e n PRO 346 N 3.07 2.66 -4.60 1.78 -0.02 -1.26 -3.19 135.00 133.44 1s4e n PRO 346 Ca -0.18 0.96 -0.27 0.00 -2.02 0.00 0.00 63.50 61.99 1s4e n PRO 346 Cb 0.53 -2.81 -0.09 0.00 -0.02 0.00 0.00 33.50 31.10 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 1.60 3.35 0.49 2.55 0.15 0.48 -4.16 113.70 118.15 1s4e s SER 347 Ca 0.78 -1.53 -0.18 0.00 0.70 0.00 0.00 55.95 55.72 1s4e s SER 347 Cb -0.53 0.17 -0.09 0.00 -1.71 0.00 0.00 66.02 63.86 1s4e s SER 347 CO 0.35 -0.72 0.97 -1.81 1.20 0.00 0.00 173.24 173.23 1s4e s ASP 348 N -3.68 6.73 1.15 5.45 1.01 -1.26 -2.91 116.67 123.15 1s4e s ASP 348 Ca 0.24 1.60 -0.17 0.00 0.71 0.00 0.00 52.55 54.94 1s4e s ASP 348 Cb 0.05 -2.52 0.24 0.00 1.01 0.00 0.00 42.92 41.71 1s4e s ASP 348 CO 0.12 -0.51 1.00 0.61 0.21 0.00 0.00 175.17 176.60 1s4e n GLY 349 N -1.27 -2.34 3.57 0.21 0.00 -0.12 -4.73 105.19 100.50 1s4e n GLY 349 Ca 0.07 -1.55 -0.46 0.00 0.00 0.00 0.00 46.02 44.08 1s4e n GLY 349 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1s4e n VAL 350 N -4.24 1.79 -3.67 1.61 0.24 0.81 -4.82 118.33 110.06 1s4e n VAL 350 Ca 0.13 -0.45 -0.00 0.00 -2.04 0.00 0.00 64.34 61.98 1s4e n VAL 350 Cb 0.50 -0.87 0.00 0.00 -1.47 0.00 0.00 33.84 32.01 1s4e n VAL 350 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s4e n GLY 351 N 1.45 0.92 0.40 7.63 0.00 -1.10 -4.97 105.19 109.52 1s4e n GLY 351 Ca 0.11 -0.95 0.14 0.00 0.00 0.00 0.00 46.02 45.33 1s4e n GLY 351 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70