#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cas s LEU 3 N 0.00 3.67 0.15 -2.67 1.43 -1.26 -4.69 118.68 115.30 3cas s LEU 3 Ca 0.00 -0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.00 3cas s LEU 3 Cb 0.00 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 3cas s LEU 3 CO 0.00 0.02 0.10 -0.94 0.23 0.00 0.00 176.35 175.76 3cas s SER 4 N 1.30 0.25 0.25 2.29 1.04 -0.76 -4.94 113.70 113.12 3cas s SER 4 Ca 0.05 -1.21 -0.06 0.00 0.48 0.00 0.00 55.95 55.22 3cas s SER 4 Cb -0.15 0.33 0.30 0.00 0.10 0.00 0.00 66.02 66.60 3cas s SER 4 CO 0.04 -0.77 1.89 0.00 0.98 0.00 0.00 173.24 175.38 3cas h ALA 5 N 2.78 1.24 -0.00 5.32 0.00 -1.95 -2.85 119.26 123.80 3cas h ALA 5 Ca -0.35 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.36 3cas h ALA 5 Cb 1.21 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3cas h ALA 5 CO 0.56 0.48 -0.76 0.00 0.00 0.00 0.00 179.25 179.53 3cas h ALA 6 N 1.39 0.74 -2.75 0.00 0.00 -1.96 -3.43 119.26 113.24 3cas h ALA 6 Ca 0.37 -0.68 -0.46 0.00 0.00 0.00 0.00 54.91 54.15 3cas h ALA 6 Cb 0.01 -0.11 -0.39 0.00 0.00 0.00 0.00 17.79 17.30 3cas h ALA 6 CO -0.12 0.92 -0.73 0.45 0.00 0.00 0.00 179.25 179.77 3cas s SER 7 N -6.82 2.67 -0.24 0.00 0.15 -1.08 -5.02 113.70 103.36 3cas s SER 7 Ca -0.01 -0.88 0.23 0.00 0.70 0.00 0.00 55.95 55.99 3cas s SER 7 Cb 0.12 -0.11 0.50 0.00 -1.71 0.00 0.00 66.02 64.81 3cas s SER 7 CO 0.79 -0.39 1.12 0.00 1.20 0.00 0.00 173.24 175.95 3cas n HIS 8 N 5.28 1.16 -3.40 3.44 -0.00 -1.23 -1.82 115.22 118.63 3cas n HIS 8 Ca -0.06 -2.00 -0.38 0.00 -0.00 0.00 0.00 57.72 55.28 3cas n HIS 8 Cb 0.46 -0.22 -0.06 0.00 -0.00 0.00 0.00 29.99 30.16 3cas n HIS 8 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 3cas s ARG 9 N -3.49 4.17 0.10 -1.40 0.52 -1.26 -1.24 118.95 116.35 3cas s ARG 9 Ca 0.28 0.41 0.07 0.00 -0.52 0.00 0.00 55.73 55.97 3cas s ARG 9 Cb 0.33 -3.34 -0.04 0.00 0.52 0.00 0.00 34.95 32.41 3cas s ARG 9 CO -0.05 0.39 -0.08 0.96 0.02 0.00 0.00 175.30 176.55 3cas s ILE 10 N -0.12 3.52 0.44 1.52 -4.36 -0.43 -4.85 121.20 116.92 3cas s ILE 10 Ca 0.24 -1.21 -0.25 0.00 -0.26 0.00 0.00 60.65 59.18 3cas s ILE 10 Cb -0.16 -2.66 -0.08 0.00 1.25 0.00 0.00 42.46 40.81 3cas s ILE 10 CO 0.11 0.11 1.31 -2.16 0.24 0.00 0.00 174.94 174.55 3cas s PRO 11 N -2.25 3.79 0.10 0.37 0.04 -1.26 -1.08 135.00 134.71 3cas s PRO 11 Ca 0.23 2.15 0.07 0.00 0.04 0.00 0.00 61.00 63.49 3cas s PRO 11 Cb -0.11 -2.63 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 3cas s PRO 11 CO 0.15 -0.64 -0.12 -0.51 0.04 0.00 0.00 177.00 175.92 3cas s LEU 12 N -2.70 2.96 0.65 -3.56 1.43 -0.13 -4.87 118.68 112.46 3cas s LEU 12 Ca 0.60 -0.41 0.42 0.00 -1.03 0.00 0.00 54.13 53.71 3cas s LEU 12 Cb -0.38 -1.76 2.29 0.00 0.03 0.00 0.00 46.19 46.37 3cas s LEU 12 CO 0.48 0.19 2.29 0.77 0.23 0.00 0.00 176.35 180.30 3cas h SER 13 N 3.72 0.00 -0.22 2.29 4.64 -1.85 -2.33 113.55 119.81 3cas h SER 13 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3cas h SER 13 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3cas h SER 13 CO 0.51 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.57 3cas n ASP 14 N -3.01 1.78 0.00 4.97 5.75 -1.26 -4.90 116.55 119.88 3cas n ASP 14 Ca -0.03 -1.78 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 3cas n ASP 14 Cb 0.10 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 3cas n ASP 14 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cas n GLY 15 N 1.13 0.12 3.34 6.12 0.00 -0.87 -5.07 105.19 109.96 3cas n GLY 15 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 3cas n GLY 15 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cas n ASN 16 N 0.00 1.12 -4.07 1.61 5.03 -1.25 -4.89 115.26 112.80 3cas n ASN 16 Ca 0.00 -1.96 -0.08 0.00 0.87 0.00 0.00 54.58 53.42 3cas n ASN 16 Cb 0.00 -0.57 -0.10 0.00 -1.02 0.00 0.00 39.78 38.09 3cas n ASN 16 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3cas s SER 17 N -4.53 0.42 -0.02 6.41 1.04 -1.26 -0.95 113.70 114.80 3cas s SER 17 Ca 0.57 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 56.02 3cas s SER 17 Cb -0.03 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.34 3cas s SER 17 CO 0.38 -0.64 -0.00 -0.51 0.98 0.00 0.00 173.24 173.45 3cas s ILE 18 N -3.93 0.13 0.16 -1.02 2.07 -0.24 -4.92 121.20 113.44 3cas s ILE 18 Ca 0.09 0.03 -0.31 0.00 -1.41 0.00 0.00 60.65 59.05 3cas s ILE 18 Cb 0.08 -0.18 -0.10 0.00 0.13 0.00 0.00 42.46 42.38 3cas s ILE 18 CO -0.08 0.09 1.66 -2.84 -1.91 0.00 0.00 174.94 171.86 3cas s PRO 19 N 0.55 4.18 0.02 3.50 0.02 -1.26 -1.31 135.00 140.69 3cas s PRO 19 Ca -0.05 2.46 0.05 0.00 0.02 0.00 0.00 61.00 63.48 3cas s PRO 19 Cb -0.08 -3.25 0.24 0.00 0.02 0.00 0.00 34.50 31.43 3cas s PRO 19 CO -0.01 -0.70 1.17 1.51 -0.33 0.00 0.00 177.00 178.64 3cas n ILE 20 N 4.18 1.67 -4.11 2.83 3.06 -0.38 -4.50 119.36 122.11 3cas n ILE 20 Ca 0.15 0.44 -0.17 0.00 -2.50 0.00 0.00 62.75 60.68 3cas n ILE 20 Cb 0.38 -1.37 -0.15 0.00 0.54 0.00 0.00 39.64 39.03 3cas n ILE 20 CO 0.00 0.00 0.00 -0.51 -2.50 0.00 0.00 176.55 173.54 3cas s ILE 21 N -3.03 0.38 0.25 9.51 2.07 -1.26 -1.43 121.20 127.69 3cas s ILE 21 Ca 0.02 -0.14 0.01 0.00 -1.41 0.00 0.00 60.65 59.13 3cas s ILE 21 Cb 0.03 -0.37 -0.05 0.00 0.13 0.00 0.00 42.46 42.20 3cas s ILE 21 CO 0.09 0.14 0.11 -0.83 -1.91 0.00 0.00 174.94 172.54 3cas s GLY 22 N 0.28 1.72 -0.30 1.50 0.00 0.37 -4.30 107.32 106.59 3cas s GLY 22 Ca -0.03 -1.81 -0.12 0.00 0.00 0.00 0.00 44.72 42.76 3cas s GLY 22 CO -0.00 -1.55 0.23 -2.27 0.00 0.00 0.00 173.10 169.50 3cas s LEU 23 N -3.29 4.21 0.46 0.66 2.96 -0.50 -3.09 118.68 120.10 3cas s LEU 23 Ca 0.38 -0.14 -0.21 0.00 -0.22 0.00 0.00 54.13 53.93 3cas s LEU 23 Cb 0.07 -2.16 -0.09 0.00 0.50 0.00 0.00 46.19 44.52 3cas s LEU 23 CO 0.14 -0.14 1.04 -0.83 -1.32 0.00 0.00 176.35 175.24 3cas s GLY 24 N 1.74 2.56 -0.06 7.98 0.00 -0.38 -1.59 107.32 117.57 3cas s GLY 24 Ca 0.07 0.63 0.09 0.00 0.00 0.00 0.00 44.72 45.51 3cas s GLY 24 CO 0.11 0.97 1.03 -1.30 0.00 0.00 0.00 173.10 173.91 3cas n THR 25 N -0.75 1.15 -2.66 0.90 -2.24 -1.01 -4.17 114.28 105.51 3cas n THR 25 Ca 0.08 -1.34 -0.40 0.00 -2.27 0.00 0.00 64.05 60.12 3cas n THR 25 Cb 0.52 0.18 -0.05 0.00 -2.10 0.00 0.00 70.33 68.87 3cas n THR 25 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3cas s TYR 26 N -1.64 3.85 -0.26 4.78 5.04 -1.26 -4.98 117.35 122.89 3cas s TYR 26 Ca 0.16 1.85 -0.16 0.00 -2.44 0.00 0.00 57.07 56.47 3cas s TYR 26 Cb 0.14 -3.07 0.07 0.00 0.35 0.00 0.00 41.96 39.45 3cas s TYR 26 CO 0.01 0.13 0.64 0.45 -1.34 0.00 0.00 175.55 175.44 3cas s SER 27 N -1.10 -0.83 -0.34 4.32 0.15 -1.26 -4.96 113.70 109.68 3cas s SER 27 Ca 0.42 1.38 -0.38 0.00 0.70 0.00 0.00 55.95 58.07 3cas s SER 27 Cb -0.28 1.27 -0.14 0.00 -1.71 0.00 0.00 66.02 65.17 3cas s SER 27 CO 0.34 -0.23 2.03 1.21 1.20 0.00 0.00 173.24 177.80 3cas n GLU 28 N 4.05 1.00 -0.08 5.44 2.13 -1.26 -4.85 120.64 127.07 3cas n GLU 28 Ca -0.20 0.31 -0.07 0.00 0.66 0.00 0.00 57.16 57.87 3cas n GLU 28 Cb 0.58 -2.23 -0.01 0.00 0.27 0.00 0.00 31.44 30.05 3cas n GLU 28 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 3cas h PRO 29 N 10.19 -0.18 -0.75 5.31 0.11 -1.91 -1.71 132.00 143.05 3cas h PRO 29 Ca -0.32 0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.92 3cas h PRO 29 Cb 1.33 0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.40 3cas h PRO 29 CO 1.01 -0.12 0.36 -0.22 -0.21 0.00 0.00 178.00 178.82 3cas h LYS 30 N -0.18 0.55 -0.41 1.05 3.64 -1.99 -3.09 116.57 116.14 3cas h LYS 30 Ca 0.16 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3cas h LYS 30 Cb 0.43 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3cas h LYS 30 CO -0.42 0.37 0.00 -1.13 -2.27 0.00 0.00 179.45 176.00 3cas n SER 31 N -4.90 3.17 -4.61 4.20 3.41 -1.14 -4.95 113.62 108.81 3cas n SER 31 Ca 0.13 -1.93 -0.37 0.00 -0.26 0.00 0.00 58.87 56.43 3cas n SER 31 Cb 0.34 -0.27 -0.11 0.00 -0.26 0.00 0.00 64.21 63.91 3cas n SER 31 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3cas s THR 32 N -1.09 5.27 0.43 6.66 2.01 -0.66 -5.03 115.64 123.23 3cas s THR 32 Ca 0.32 0.15 -0.26 0.00 0.31 0.00 0.00 61.69 62.21 3cas s THR 32 Cb 0.17 -3.49 -0.09 0.00 0.01 0.00 0.00 72.50 69.11 3cas s THR 32 CO 0.23 0.29 1.42 -2.16 -0.69 0.00 0.00 174.62 173.71 3cas s PRO 33 N 1.50 3.80 0.37 4.92 0.04 -1.26 -4.93 135.00 139.44 3cas s PRO 33 Ca 0.07 2.41 -0.28 0.00 0.04 0.00 0.00 61.00 63.24 3cas s PRO 33 Cb -0.15 -2.73 -0.11 0.00 0.04 0.00 0.00 34.50 31.56 3cas s PRO 33 CO 0.08 -0.72 1.45 0.15 0.04 0.00 0.00 177.00 178.00 3cas s LYS 34 N -2.36 4.15 0.00 4.56 3.01 -1.26 -2.53 119.74 125.32 3cas s LYS 34 Ca 0.59 2.49 0.00 0.00 -1.01 0.00 0.00 55.97 58.04 3cas s LYS 34 Cb -0.43 -2.98 0.00 0.00 -1.01 0.00 0.00 37.83 33.40 3cas s LYS 34 CO 0.56 -0.47 0.00 0.41 0.51 0.00 0.00 175.35 176.37 3cas n GLY 35 N 0.53 2.60 0.33 -3.33 0.00 -1.26 -4.90 105.19 99.15 3cas n GLY 35 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3cas n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cas h ALA 36 N 0.00 1.25 0.11 4.61 0.00 -1.87 -1.21 119.26 122.15 3cas h ALA 36 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3cas h ALA 36 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3cas h ALA 36 CO 0.00 0.57 -0.05 0.00 0.00 0.00 0.00 179.25 179.77 3cas h ALA 38 N 0.22 0.03 -0.45 0.00 0.00 -1.71 -0.03 119.26 117.32 3cas h ALA 38 Ca -0.01 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3cas h ALA 38 Cb 0.47 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 3cas h ALA 38 CO 0.02 -0.58 0.13 1.15 0.00 0.00 0.00 179.25 179.98 3cas h THR 39 N -0.15 0.81 -0.53 0.00 2.02 -1.26 -2.11 112.91 111.69 3cas h THR 39 Ca 0.16 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 3cas h THR 39 Cb 0.39 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3cas h THR 39 CO -0.40 0.05 0.28 0.28 0.37 0.00 0.00 175.52 176.11 3cas h SER 40 N 0.29 0.68 -0.65 4.18 0.02 -0.50 -1.31 113.55 116.26 3cas h SER 40 Ca 0.22 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3cas h SER 40 Cb 0.25 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 3cas h SER 40 CO -0.25 0.59 0.42 0.58 -1.14 0.00 0.00 176.83 177.03 3cas h VAL 41 N 0.72 1.17 -0.69 2.27 2.07 -0.73 -0.19 116.25 120.88 3cas h VAL 41 Ca 0.19 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 3cas h VAL 41 Cb 0.07 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 3cas h VAL 41 CO -0.03 0.17 0.19 0.11 0.02 0.00 0.00 177.57 178.03 3cas h LYS 42 N 0.89 1.08 -0.58 1.57 1.57 -1.12 -1.33 116.57 118.64 3cas h LYS 42 Ca 0.24 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3cas h LYS 42 Cb -0.08 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 3cas h LYS 42 CO -0.05 0.94 0.08 0.28 -0.57 0.00 0.00 179.45 180.13 3cas h VAL 43 N 1.03 1.25 -0.40 0.50 2.07 -0.69 -1.83 116.25 118.19 3cas h VAL 43 Ca 0.22 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 3cas h VAL 43 Cb 0.33 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3cas h VAL 43 CO -0.00 0.36 0.09 0.00 0.02 0.00 0.00 177.57 178.04 3cas h ALA 44 N 1.20 0.52 -0.65 1.67 0.00 -0.57 -0.59 119.26 120.84 3cas h ALA 44 Ca 0.18 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3cas h ALA 44 Cb 0.41 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3cas h ALA 44 CO 0.01 0.20 0.10 0.82 0.00 0.00 0.00 179.25 180.39 3cas h ILE 45 N 0.50 1.26 -0.67 0.00 2.04 -1.10 0.06 117.51 119.59 3cas h ILE 45 Ca 0.12 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 64.91 3cas h ILE 45 Cb 0.32 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 3cas h ILE 45 CO 0.00 0.39 0.27 0.44 0.00 0.00 0.00 178.15 179.25 3cas h ASP 46 N 1.00 0.90 0.11 1.72 3.32 -1.19 -2.63 116.42 119.65 3cas h ASP 46 Ca 0.20 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 3cas h ASP 46 Cb 0.44 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3cas h ASP 46 CO 0.01 0.80 -0.25 0.74 -1.72 0.00 0.00 179.24 178.82 3cas h THR 47 N 0.97 1.24 0.00 0.35 2.02 -0.46 -3.47 112.91 113.57 3cas h THR 47 Ca 0.23 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.28 3cas h THR 47 Cb 0.18 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3cas h THR 47 CO -0.02 0.34 0.00 0.61 0.37 0.00 0.00 175.52 176.82 3cas n GLY 48 N -0.55 0.69 3.77 2.16 0.00 -0.34 -5.08 105.19 105.84 3cas n GLY 48 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3cas n GLY 48 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cas s TYR 49 N -0.30 2.82 -0.01 1.61 1.51 -0.14 -4.92 117.35 117.92 3cas s TYR 49 Ca 0.00 1.34 0.01 0.00 -1.01 0.00 0.00 57.07 57.41 3cas s TYR 49 Cb 0.00 -3.78 0.01 0.00 -0.11 0.00 0.00 41.96 38.08 3cas s TYR 49 CO 0.00 -2.29 0.80 0.54 -1.11 0.00 0.00 175.55 173.48 3cas n ARG 50 N 0.43 1.57 -4.35 -0.62 5.12 -1.26 -4.22 116.66 113.32 3cas n ARG 50 Ca 0.02 -1.11 -0.21 0.00 -1.93 0.00 0.00 57.85 54.62 3cas n ARG 50 Cb 0.42 -0.79 -0.16 0.00 -1.16 0.00 0.00 32.46 30.76 3cas n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3cas s HIS 51 N -0.62 0.96 -0.05 -1.55 2.46 -1.26 -0.70 115.29 114.53 3cas s HIS 51 Ca 0.01 -0.27 0.02 0.00 0.47 0.00 0.00 55.06 55.29 3cas s HIS 51 Cb 0.01 -0.73 0.01 0.00 -0.13 0.00 0.00 32.58 31.74 3cas s HIS 51 CO 0.00 -0.15 -0.11 0.42 -2.47 0.00 0.00 174.74 172.43 3cas s ILE 52 N 0.48 0.99 -0.18 0.89 -1.09 -0.14 -1.40 121.20 120.75 3cas s ILE 52 Ca -0.08 -0.41 -0.03 0.00 -2.23 0.00 0.00 60.65 57.89 3cas s ILE 52 Cb -0.11 -0.90 -0.02 0.00 -1.58 0.00 0.00 42.46 39.84 3cas s ILE 52 CO 0.01 0.32 -0.04 -0.62 -1.23 0.00 0.00 174.94 173.37 3cas s ASP 53 N 0.55 4.58 0.15 3.58 -1.08 -0.62 -1.87 116.67 121.96 3cas s ASP 53 Ca -0.11 -0.23 0.00 0.00 -0.52 0.00 0.00 52.55 51.69 3cas s ASP 53 Cb -0.14 -1.76 -0.00 0.00 -1.46 0.00 0.00 42.92 39.56 3cas s ASP 53 CO 0.02 0.10 0.19 0.61 0.52 0.00 0.00 175.17 176.61 3cas n GLY 54 N 3.97 2.91 3.61 2.66 0.00 -0.64 -2.40 105.19 115.30 3cas n GLY 54 Ca -0.18 -1.54 -0.11 0.00 0.00 0.00 0.00 46.02 44.18 3cas n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cas s ALA 55 N -2.20 -1.90 0.31 4.61 0.00 -1.26 -3.92 121.76 117.41 3cas s ALA 55 Ca 0.13 1.81 0.03 0.00 0.00 0.00 0.00 51.96 53.94 3cas s ALA 55 Cb -0.00 -1.11 0.62 0.00 0.00 0.00 0.00 23.12 22.62 3cas s ALA 55 CO 0.10 -0.29 1.87 -0.92 0.00 0.00 0.00 175.76 176.52 3cas h TYR 56 N 4.01 1.02 0.00 0.00 5.03 -1.98 -1.11 116.97 123.94 3cas h TYR 56 Ca -0.27 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.07 3cas h TYR 56 Cb 1.17 -0.33 0.00 0.00 1.55 0.00 0.00 36.73 39.12 3cas h TYR 56 CO 0.34 0.44 0.00 0.44 -1.32 0.00 0.00 178.16 178.06 3cas n ILE 57 N -4.56 0.66 0.67 1.81 -5.35 -1.26 -1.69 119.36 109.63 3cas n ILE 57 Ca 0.17 0.16 0.13 0.00 -0.27 0.00 0.00 62.75 62.94 3cas n ILE 57 Cb 0.33 -0.91 0.46 0.00 -1.74 0.00 0.00 39.64 37.79 3cas n ILE 57 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3cas n TYR 58 N -1.34 0.66 -1.15 4.28 0.53 -0.42 -4.91 117.16 114.81 3cas n TYR 58 Ca 0.06 0.20 -0.05 0.00 -1.02 0.00 0.00 57.90 57.10 3cas n TYR 58 Cb 0.14 -0.83 -0.02 0.00 -1.03 0.00 0.00 39.34 37.59 3cas n TYR 58 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 3cas n GLN 59 N -2.05 -0.91 -0.32 -0.72 6.02 -0.68 -4.76 117.38 113.97 3cas n GLN 59 Ca 0.05 0.55 0.02 0.00 -0.01 0.00 0.00 57.00 57.61 3cas n GLN 59 Cb 0.37 -4.42 0.03 0.00 1.02 0.00 0.00 30.24 27.24 3cas n GLN 59 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3cas n ASN 60 N -0.17 0.59 0.27 1.08 0.23 -1.26 -4.84 115.26 111.16 3cas n ASN 60 Ca -0.05 -2.09 0.11 0.00 -0.53 0.00 0.00 54.58 52.02 3cas n ASN 60 Cb 0.31 -0.21 0.75 0.00 -2.08 0.00 0.00 39.78 38.54 3cas n ASN 60 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3cas h GLU 61 N 0.00 0.00 -0.14 -3.83 4.81 -1.85 -1.06 114.58 112.51 3cas h GLU 61 Ca 0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 3cas h GLU 61 Cb 1.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 3cas h GLU 61 CO 0.00 0.00 -0.41 1.12 -0.73 0.00 0.00 179.01 178.99 3cas h HIS 62 N 0.00 0.39 -0.32 0.92 2.07 -1.88 -2.56 115.15 113.76 3cas h HIS 62 Ca 0.00 -0.11 -0.10 0.00 -2.85 0.00 0.00 60.37 57.31 3cas h HIS 62 Cb 0.02 -0.09 -0.01 0.00 2.57 0.00 0.00 27.41 29.90 3cas h HIS 62 CO 0.00 0.70 -0.23 0.93 -3.07 0.00 0.00 177.93 176.26 3cas h GLU 63 N 0.28 0.62 -0.46 5.12 5.08 -1.54 -0.59 114.58 123.08 3cas h GLU 63 Ca 0.02 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 3cas h GLU 63 Cb 0.85 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 3cas h GLU 63 CO 0.07 0.80 0.15 0.28 -1.00 0.00 0.00 179.01 179.31 3cas h VAL 64 N 0.55 1.22 -0.30 3.13 2.07 -1.26 -2.32 116.25 119.35 3cas h VAL 64 Ca 0.08 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3cas h VAL 64 Cb 0.69 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3cas h VAL 64 CO 0.05 0.27 0.20 1.23 0.02 0.00 0.00 177.57 179.34 3cas h GLY 65 N 0.61 0.43 0.06 2.17 0.00 -1.10 -1.71 103.07 103.53 3cas h GLY 65 Ca 0.15 -0.16 0.09 0.00 0.00 0.00 0.00 47.33 47.41 3cas h GLY 65 CO -0.01 0.16 -0.15 0.83 0.00 0.00 0.00 176.54 177.37 3cas h GLU 66 N 0.41 -0.06 -0.48 4.80 5.08 -0.91 -0.46 114.58 122.96 3cas h GLU 66 Ca 0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3cas h GLU 66 Cb -0.04 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3cas h GLU 66 CO -0.02 -0.04 0.26 0.00 -1.00 0.00 0.00 179.01 178.20 3cas h ALA 67 N 1.30 0.62 -0.53 3.43 0.00 -1.19 -1.69 119.26 121.20 3cas h ALA 67 Ca 0.21 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3cas h ALA 67 Cb 0.38 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3cas h ALA 67 CO -0.47 0.15 0.07 0.82 0.00 0.00 0.00 179.25 179.82 3cas h ILE 68 N 0.63 1.25 -0.45 0.00 2.04 -0.75 -2.42 117.51 117.82 3cas h ILE 68 Ca 0.17 -0.98 -0.13 0.00 1.00 0.00 0.00 64.86 64.92 3cas h ILE 68 Cb 0.07 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3cas h ILE 68 CO -0.03 0.35 -0.25 0.03 0.00 0.00 0.00 178.15 178.26 3cas h ARG 69 N 0.76 0.94 -0.44 2.37 3.08 -1.02 -2.29 114.38 117.78 3cas h ARG 69 Ca 0.16 -0.41 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 3cas h ARG 69 Cb 0.43 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3cas h ARG 69 CO 0.01 1.08 0.19 1.49 -1.07 0.00 0.00 179.97 181.67 3cas h GLU 70 N 0.81 0.65 -0.15 0.04 4.81 -1.25 0.35 114.58 119.84 3cas h GLU 70 Ca 0.10 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 3cas h GLU 70 Cb 0.82 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 3cas h GLU 70 CO 0.07 0.58 -0.17 0.87 -0.73 0.00 0.00 179.01 179.63 3cas h LYS 71 N 0.58 0.24 -0.15 1.92 1.79 -1.36 0.80 116.57 120.39 3cas h LYS 71 Ca 0.15 -0.06 -0.10 0.00 -2.18 0.00 0.00 60.65 58.46 3cas h LYS 71 Cb 0.16 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 3cas h LYS 71 CO -0.02 0.41 -0.29 0.82 -1.08 0.00 0.00 179.45 179.30 3cas h ILE 72 N 0.22 1.36 0.00 1.86 2.04 -1.08 -1.11 117.51 120.81 3cas h ILE 72 Ca 0.04 -1.55 -0.01 0.00 1.00 0.00 0.00 64.86 64.34 3cas h ILE 72 Cb 0.44 2.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 3cas h ILE 72 CO 0.03 0.46 -0.06 0.00 0.00 0.00 0.00 178.15 178.58 3cas h ALA 73 N 0.55 1.67 0.00 1.87 0.00 -0.44 0.15 119.26 123.07 3cas h ALA 73 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3cas h ALA 73 Cb 0.88 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3cas h ALA 73 CO 0.06 0.07 0.00 0.93 0.00 0.00 0.00 179.25 180.32 3cas h GLU 74 N 0.00 0.00 0.00 0.00 5.08 -0.65 -3.47 114.58 115.54 3cas h GLU 74 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3cas h GLU 74 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3cas h GLU 74 CO 0.01 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.43 3cas n GLY 75 N 0.84 0.62 0.19 -3.84 0.00 0.04 -4.96 105.19 98.09 3cas n GLY 75 Ca 0.03 -0.50 -0.17 0.00 0.00 0.00 0.00 46.02 45.38 3cas n GLY 75 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3cas h LYS 76 N 0.59 0.62 -3.89 1.61 3.11 -1.41 -3.47 116.57 113.74 3cas h LYS 76 Ca 0.00 -0.62 -0.10 0.00 -2.81 0.00 0.00 60.65 57.12 3cas h LYS 76 Cb 0.00 0.16 -0.11 0.00 -1.00 0.00 0.00 32.23 31.28 3cas h LYS 76 CO 0.00 1.22 -0.27 0.14 -2.81 0.00 0.00 179.45 177.73 3cas s VAL 77 N -3.43 0.02 0.23 2.00 -7.23 -1.23 -5.04 120.40 105.72 3cas s VAL 77 Ca -0.08 -1.49 0.08 0.00 -1.81 0.00 0.00 61.98 58.68 3cas s VAL 77 Cb 0.08 -2.12 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 3cas s VAL 77 CO 0.90 -0.10 0.05 -0.13 -0.31 0.00 0.00 175.10 175.51 3cas s ARG 78 N -4.02 2.50 0.38 4.82 0.52 -1.26 -4.28 118.95 117.60 3cas s ARG 78 Ca 0.23 -1.21 0.14 0.00 -0.52 0.00 0.00 55.73 54.37 3cas s ARG 78 Cb 0.02 -2.34 0.96 0.00 0.52 0.00 0.00 34.95 34.11 3cas s ARG 78 CO 0.06 0.41 1.82 -0.09 0.02 0.00 0.00 175.30 177.52 3cas h ARG 79 N 2.07 0.52 0.00 3.54 9.65 -1.96 0.19 114.38 128.40 3cas h ARG 79 Ca -0.46 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 3cas h ARG 79 Cb 1.23 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 3cas h ARG 79 CO 0.60 0.35 0.00 1.05 2.80 0.00 0.00 179.97 184.76 3cas h GLU 80 N 0.54 0.00 0.00 0.20 9.09 -2.04 -2.63 114.58 119.75 3cas h GLU 80 Ca 0.52 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.93 3cas h GLU 80 Cb 1.11 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.21 3cas h GLU 80 CO -0.26 0.00 -0.36 -0.44 0.05 0.00 0.00 179.01 178.00 3cas h ASP 81 N 0.00 0.00 -3.04 3.06 3.45 -1.00 -3.45 116.42 115.44 3cas h ASP 81 Ca 0.00 -0.09 -0.66 0.00 0.43 0.00 0.00 57.03 56.72 3cas h ASP 81 Cb 0.41 0.00 -0.12 0.00 -0.56 0.00 0.00 39.33 39.06 3cas h ASP 81 CO 0.00 0.04 -0.54 -0.63 -1.57 0.00 0.00 179.24 176.54 3cas s ILE 82 N -3.17 4.96 -0.22 0.35 -1.09 -0.99 -4.82 121.20 116.22 3cas s ILE 82 Ca 0.07 0.01 -0.00 0.00 -2.23 0.00 0.00 60.65 58.50 3cas s ILE 82 Cb 0.11 -3.17 0.03 0.00 -1.58 0.00 0.00 42.46 37.86 3cas s ILE 82 CO 0.68 0.57 -0.12 0.12 -1.23 0.00 0.00 174.94 174.96 3cas s PHE 83 N -0.57 2.99 -0.11 3.97 2.19 0.12 -4.93 117.98 121.64 3cas s PHE 83 Ca 0.11 -1.66 0.02 0.00 0.33 0.00 0.00 56.93 55.74 3cas s PHE 83 Cb -0.12 -1.99 -0.01 0.00 -1.31 0.00 0.00 43.02 39.59 3cas s PHE 83 CO 0.02 -0.77 -0.20 -0.47 1.83 0.00 0.00 175.22 175.64 3cas s TYR 84 N 1.29 2.65 -0.17 10.12 5.04 -1.26 -0.97 117.35 134.05 3cas s TYR 84 Ca 0.01 -0.90 -0.05 0.00 -2.44 0.00 0.00 57.07 53.68 3cas s TYR 84 Cb -0.16 -1.76 -0.03 0.00 0.35 0.00 0.00 41.96 40.36 3cas s TYR 84 CO -0.08 -0.34 0.00 0.00 -1.34 0.00 0.00 175.55 173.80 3cas s GLY 86 N 0.46 2.29 0.00 0.00 0.00 0.82 -1.62 107.32 109.28 3cas s GLY 86 Ca -0.01 -2.13 0.02 0.00 0.00 0.00 0.00 44.72 42.60 3cas s GLY 86 CO 0.02 -2.00 -0.06 0.54 0.00 0.00 0.00 173.10 171.60 3cas s LYS 87 N -3.72 0.47 -0.42 2.90 1.02 -1.25 -1.89 119.74 116.85 3cas s LYS 87 Ca 0.35 -0.31 -0.19 0.00 0.02 0.00 0.00 55.97 55.85 3cas s LYS 87 Cb 0.04 -0.42 0.02 0.00 -0.52 0.00 0.00 37.83 36.96 3cas s LYS 87 CO 0.19 0.11 0.52 -1.17 -0.92 0.00 0.00 175.35 174.08 3cas s LEU 88 N -0.41 4.69 0.70 3.17 2.96 0.28 -4.51 118.68 125.56 3cas s LEU 88 Ca -0.00 -0.50 -0.12 0.00 -0.22 0.00 0.00 54.13 53.30 3cas s LEU 88 Cb -0.04 -2.53 0.02 0.00 0.50 0.00 0.00 46.19 44.14 3cas s LEU 88 CO -0.00 -0.65 1.07 0.86 -1.32 0.00 0.00 176.35 176.32 3cas s TRP 89 N 2.41 2.90 0.42 5.38 -0.00 -1.26 -1.42 118.94 127.38 3cas s TRP 89 Ca 0.16 1.48 0.23 0.00 -0.00 0.00 0.00 56.10 57.98 3cas s TRP 89 Cb -0.16 -2.97 1.23 0.00 -0.00 0.00 0.00 33.47 31.57 3cas s TRP 89 CO 0.16 -1.42 1.73 0.00 -0.00 0.00 0.00 176.95 177.43 3cas h ALA 90 N -0.63 2.44 0.00 5.86 0.00 -1.87 0.60 119.26 125.67 3cas h ALA 90 Ca -0.44 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3cas h ALA 90 Cb 1.22 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3cas h ALA 90 CO 0.55 -0.90 0.00 0.25 0.00 0.00 0.00 179.25 179.15 3cas n THR 91 N -4.60 0.00 -2.31 0.00 -2.24 -1.26 -1.16 114.28 102.70 3cas n THR 91 Ca 0.28 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 62.08 3cas n THR 91 Cb 1.06 -0.02 0.07 0.00 -2.10 0.00 0.00 70.33 69.34 3cas n THR 91 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3cas n ASN 92 N -0.49 1.61 0.00 3.42 3.02 0.20 -4.20 115.26 118.83 3cas n ASN 92 Ca 0.00 -2.60 0.12 0.00 -0.03 0.00 0.00 54.58 52.07 3cas n ASN 92 Cb 0.00 -0.39 0.30 0.00 -0.61 0.00 0.00 39.78 39.08 3cas n ASN 92 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3cas n HIS 93 N -0.19 0.01 -1.71 3.10 8.25 -1.24 -4.28 115.22 119.16 3cas n HIS 93 Ca 0.13 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.17 3cas n HIS 93 Cb 0.96 -0.29 -0.03 0.00 1.12 0.00 0.00 29.99 31.75 3cas n HIS 93 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3cas s VAL 94 N -3.00 2.83 0.17 1.59 1.01 -1.26 -4.61 120.40 117.13 3cas s VAL 94 Ca 0.11 0.08 -0.19 0.00 0.00 0.00 0.00 61.98 61.98 3cas s VAL 94 Cb 0.18 -3.05 0.10 0.00 0.00 0.00 0.00 36.38 33.61 3cas s VAL 94 CO 0.68 -0.00 1.31 -2.65 0.00 0.00 0.00 175.10 174.43 3cas n PRO 95 N 6.64 -0.26 0.00 2.72 -0.02 -1.26 0.13 135.00 142.94 3cas n PRO 95 Ca 0.19 1.29 0.04 0.00 -2.02 0.00 0.00 63.50 63.00 3cas n PRO 95 Cb 0.40 -1.91 0.20 0.00 -0.02 0.00 0.00 33.50 32.17 3cas n PRO 95 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3cas n GLU 96 N -5.17 0.07 0.04 -0.52 0.00 -1.26 -2.09 120.64 111.71 3cas n GLU 96 Ca 0.06 0.27 0.11 0.00 0.00 0.00 0.00 57.16 57.60 3cas n GLU 96 Cb 0.29 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.19 3cas n GLU 96 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3cas n MET 97 N -1.38 0.47 0.21 3.44 2.81 0.12 -4.55 117.12 118.25 3cas n MET 97 Ca 0.03 -0.02 -0.15 0.00 -1.81 0.00 0.00 57.70 55.75 3cas n MET 97 Cb 0.08 -1.64 -0.07 0.00 -0.71 0.00 0.00 33.22 30.88 3cas n MET 97 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3cas h VAL 98 N 0.00 0.33 -0.28 2.03 2.07 -1.34 -1.42 116.25 117.64 3cas h VAL 98 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3cas h VAL 98 Cb 0.87 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3cas h VAL 98 CO 0.00 0.00 0.15 -0.09 0.02 0.00 0.00 177.57 177.65 3cas h ARG 99 N -0.68 0.39 -0.86 1.57 2.43 -1.81 -1.77 114.38 113.65 3cas h ARG 99 Ca -0.02 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.18 3cas h ARG 99 Cb 0.62 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.03 3cas h ARG 99 CO -0.05 0.35 0.56 -1.35 -1.51 0.00 0.00 179.97 177.97 3cas h PRO 100 N 0.33 0.88 -0.40 0.20 0.11 -1.78 0.59 132.00 131.93 3cas h PRO 100 Ca 0.10 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.12 3cas h PRO 100 Cb 0.08 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 3cas h PRO 100 CO -0.01 0.58 0.10 1.15 -0.21 0.00 0.00 178.00 179.61 3cas h THR 101 N 0.91 1.23 -0.48 -1.15 2.02 -0.87 -1.51 112.91 113.05 3cas h THR 101 Ca 0.38 -0.78 -0.06 0.00 0.77 0.00 0.00 66.41 66.72 3cas h THR 101 Cb 0.29 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 3cas h THR 101 CO -0.15 0.27 0.07 0.25 0.37 0.00 0.00 175.52 176.34 3cas h LEU 102 N 0.50 0.76 -1.75 2.58 5.85 -0.57 -2.61 115.31 120.07 3cas h LEU 102 Ca 0.12 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3cas h LEU 102 Cb 0.31 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3cas h LEU 102 CO 0.00 0.83 0.17 -0.33 -0.34 0.00 0.00 178.44 178.78 3cas h GLU 103 N 0.66 0.33 -0.52 1.25 5.08 -0.76 -0.50 114.58 120.12 3cas h GLU 103 Ca 0.14 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3cas h GLU 103 Cb 0.40 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3cas h GLU 103 CO 0.01 0.22 0.08 -0.09 -1.00 0.00 0.00 179.01 178.23 3cas h ARG 104 N 0.34 0.87 -0.16 2.33 2.43 -0.91 -1.43 114.38 117.86 3cas h ARG 104 Ca 0.10 -0.23 -0.09 0.00 -0.81 0.00 0.00 59.98 58.94 3cas h ARG 104 Cb -0.03 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 3cas h ARG 104 CO -0.02 0.85 -0.30 1.15 -1.51 0.00 0.00 179.97 180.14 3cas h THR 105 N 0.75 1.27 -0.07 0.20 2.02 -0.98 -1.42 112.91 114.68 3cas h THR 105 Ca 0.16 -1.29 -0.11 0.00 0.77 0.00 0.00 66.41 65.95 3cas h THR 105 Cb 0.41 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 3cas h THR 105 CO 0.01 0.39 -0.43 -0.07 0.37 0.00 0.00 175.52 175.79 3cas h LEU 106 N 0.27 0.18 -0.07 2.58 3.38 -0.78 -1.37 115.31 119.50 3cas h LEU 106 Ca 0.04 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3cas h LEU 106 Cb 0.68 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3cas h LEU 106 CO 0.05 0.59 -0.07 0.03 0.09 0.00 0.00 178.44 179.13 3cas h ARG 107 N 0.14 0.17 -0.48 1.13 3.08 -0.77 0.53 114.38 118.18 3cas h ARG 107 Ca 0.01 -0.09 0.08 0.00 0.07 0.00 0.00 59.98 60.05 3cas h ARG 107 Cb 0.83 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.82 3cas h ARG 107 CO 0.06 0.61 0.11 0.28 -1.07 0.00 0.00 179.97 179.96 3cas h VAL 108 N -0.27 0.76 0.00 2.04 2.07 -1.12 -2.11 116.25 117.61 3cas h VAL 108 Ca 0.01 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.36 3cas h VAL 108 Cb 0.58 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3cas h VAL 108 CO 0.02 0.05 -0.42 -0.07 0.02 0.00 0.00 177.57 177.16 3cas h LEU 109 N 0.25 0.00 0.15 2.57 3.38 -1.26 -3.41 115.31 116.99 3cas h LEU 109 Ca 0.23 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.94 3cas h LEU 109 Cb 0.30 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.10 3cas h LEU 109 CO -0.29 0.42 -0.41 0.00 0.09 0.00 0.00 178.44 178.25 3cas n GLN 110 N -3.36 -3.69 -4.42 1.13 6.02 0.13 -4.67 117.38 108.52 3cas n GLN 110 Ca 0.01 0.59 -0.23 0.00 -0.01 0.00 0.00 57.00 57.36 3cas n GLN 110 Cb 0.61 -4.79 -0.10 0.00 1.02 0.00 0.00 30.24 26.98 3cas n GLN 110 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3cas s LEU 111 N -4.68 2.55 0.18 1.08 1.43 -0.93 -5.05 118.68 113.27 3cas s LEU 111 Ca 0.24 -1.00 0.06 0.00 -1.03 0.00 0.00 54.13 52.40 3cas s LEU 111 Cb -0.11 -0.97 0.02 0.00 0.03 0.00 0.00 46.19 45.16 3cas s LEU 111 CO 0.30 -0.01 1.41 0.44 0.23 0.00 0.00 176.35 178.71 3cas h ASP 112 N 2.51 0.12 -5.07 2.29 3.45 -1.96 -3.43 116.42 114.33 3cas h ASP 112 Ca -0.40 -0.10 0.01 0.00 0.43 0.00 0.00 57.03 56.96 3cas h ASP 112 Cb 1.24 -0.04 -0.08 0.00 -0.56 0.00 0.00 39.33 39.89 3cas h ASP 112 CO 0.59 0.91 0.10 -0.72 -1.57 0.00 0.00 179.24 178.54 3cas s TYR 113 N -3.16 -0.11 0.18 4.55 -0.85 -1.26 -4.73 117.35 111.96 3cas s TYR 113 Ca -0.01 -0.26 0.09 0.00 -0.52 0.00 0.00 57.07 56.37 3cas s TYR 113 Cb 0.11 0.49 -0.04 0.00 0.38 0.00 0.00 41.96 42.90 3cas s TYR 113 CO 0.81 -1.04 -0.13 0.14 -1.52 0.00 0.00 175.55 173.82 3cas s VAL 114 N -3.90 3.02 0.13 -3.49 -7.23 -0.88 -4.98 120.40 103.07 3cas s VAL 114 Ca 0.11 -1.72 0.01 0.00 -1.81 0.00 0.00 61.98 58.57 3cas s VAL 114 Cb -0.03 -2.48 -0.20 0.00 0.56 0.00 0.00 36.38 34.23 3cas s VAL 114 CO 0.02 -0.10 1.29 0.44 -0.31 0.00 0.00 175.10 176.43 3cas h ASP 115 N 3.00 0.26 -3.44 4.85 5.19 -1.73 -2.15 116.42 122.40 3cas h ASP 115 Ca -0.47 -0.24 -0.23 0.00 -0.62 0.00 0.00 57.03 55.46 3cas h ASP 115 Cb 1.20 -0.08 -0.31 0.00 0.18 0.00 0.00 39.33 40.32 3cas h ASP 115 CO 0.53 1.11 -0.58 -0.22 -3.12 0.00 0.00 179.24 176.96 3cas s LEU 116 N -7.21 0.72 -0.08 1.55 2.96 -0.90 -1.36 118.68 114.36 3cas s LEU 116 Ca -0.02 0.33 0.02 0.00 -0.22 0.00 0.00 54.13 54.23 3cas s LEU 116 Cb 0.09 0.41 0.01 0.00 0.50 0.00 0.00 46.19 47.21 3cas s LEU 116 CO 0.84 -0.15 -0.13 -0.47 -1.32 0.00 0.00 176.35 175.13 3cas s TYR 117 N 1.12 1.59 0.06 5.38 5.04 -0.98 -0.13 117.35 129.44 3cas s TYR 117 Ca -0.09 -0.64 0.04 0.00 -2.44 0.00 0.00 57.07 53.95 3cas s TYR 117 Cb -0.11 -1.17 -0.03 0.00 0.35 0.00 0.00 41.96 41.01 3cas s TYR 117 CO -0.06 -0.34 -0.12 0.96 -1.34 0.00 0.00 175.55 174.65 3cas s ILE 118 N 0.80 0.93 -0.20 3.14 -4.36 -0.79 -2.04 121.20 118.68 3cas s ILE 118 Ca -0.12 -1.24 -0.29 0.00 -0.26 0.00 0.00 60.65 58.75 3cas s ILE 118 Cb -0.15 -0.93 -0.02 0.00 1.25 0.00 0.00 42.46 42.61 3cas s ILE 118 CO 0.02 -0.28 1.49 -0.63 0.24 0.00 0.00 174.94 175.78 3cas s ILE 119 N -1.31 3.89 0.20 8.37 1.01 -0.94 -0.55 121.20 131.86 3cas s ILE 119 Ca -0.05 1.03 -0.11 0.00 0.00 0.00 0.00 60.65 61.52 3cas s ILE 119 Cb -0.10 -3.82 0.12 0.00 0.01 0.00 0.00 42.46 38.68 3cas s ILE 119 CO 0.02 -0.27 1.83 -0.08 0.00 0.00 0.00 174.94 176.44 3cas h GLU 120 N 9.75 0.73 -3.60 2.79 4.81 -1.51 0.11 114.58 127.67 3cas h GLU 120 Ca -0.31 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 58.75 3cas h GLU 120 Cb 1.14 -0.17 -0.18 0.00 0.63 0.00 0.00 28.75 30.16 3cas h GLU 120 CO 0.99 0.49 -0.46 0.14 -0.73 0.00 0.00 179.01 179.44 3cas s VAL 121 N -6.12 0.11 -1.44 0.32 -7.23 -1.25 -4.27 120.40 100.51 3cas s VAL 121 Ca -0.13 -0.88 0.24 0.00 -1.81 0.00 0.00 61.98 59.41 3cas s VAL 121 Cb 0.15 -0.75 0.43 0.00 0.56 0.00 0.00 36.38 36.77 3cas s VAL 121 CO 0.76 -0.48 1.81 -0.81 -0.31 0.00 0.00 175.10 176.06 3cas n PRO 122 N 0.96 0.36 -3.43 4.82 -0.04 -1.26 -4.79 135.00 131.61 3cas n PRO 122 Ca -0.20 0.06 -0.37 0.00 -0.04 0.00 0.00 63.50 62.94 3cas n PRO 122 Cb 0.58 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 3cas n PRO 122 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3cas s MET 123 N -2.56 4.24 -0.09 0.54 -1.94 -1.26 -4.87 119.30 113.37 3cas s MET 123 Ca 0.23 0.30 -0.15 0.00 -1.71 0.00 0.00 55.69 54.36 3cas s MET 123 Cb 0.16 -3.40 -0.05 0.00 2.01 0.00 0.00 34.83 33.55 3cas s MET 123 CO 0.37 0.27 0.38 0.00 -0.01 0.00 0.00 175.02 176.02 3cas s ALA 124 N 0.33 3.61 0.26 3.03 0.00 -1.26 -4.48 121.76 123.25 3cas s ALA 124 Ca 0.22 -0.31 0.10 0.00 0.00 0.00 0.00 51.96 51.97 3cas s ALA 124 Cb -0.14 -2.44 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 3cas s ALA 124 CO 0.08 0.23 -0.07 -0.06 0.00 0.00 0.00 175.76 175.94 3cas s PHE 125 N -0.12 2.58 0.19 0.00 0.40 -0.31 -1.33 117.98 119.38 3cas s PHE 125 Ca 0.22 -0.25 -0.33 0.00 -0.60 0.00 0.00 56.93 55.97 3cas s PHE 125 Cb -0.15 -1.15 -0.13 0.00 0.51 0.00 0.00 43.02 42.10 3cas s PHE 125 CO 0.09 0.63 1.64 1.17 0.70 0.00 0.00 175.22 179.45 3cas n LYS 126 N -0.67 2.46 -1.39 0.44 4.81 -0.17 -4.21 118.16 119.43 3cas n LYS 126 Ca -0.07 0.89 -0.36 0.00 -0.87 0.00 0.00 58.31 57.90 3cas n LYS 126 Cb 0.59 -2.69 0.08 0.00 0.02 0.00 0.00 35.03 33.03 3cas n LYS 126 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3cas n PRO 127 N 3.56 0.56 0.00 1.64 -0.02 -1.26 -4.74 135.00 134.73 3cas n PRO 127 Ca 0.16 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3cas n PRO 127 Cb 0.32 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3cas n PRO 127 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cas n GLY 128 N 1.16 2.88 0.25 -1.23 0.00 -1.26 -4.96 105.19 102.03 3cas n GLY 128 Ca 0.13 -1.52 -0.04 0.00 0.00 0.00 0.00 46.02 44.59 3cas n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3cas h ASP 129 N 0.00 0.57 -2.58 1.61 3.45 -1.96 -3.43 116.42 114.08 3cas h ASP 129 Ca 0.00 -0.19 -0.54 0.00 0.43 0.00 0.00 57.03 56.73 3cas h ASP 129 Cb 0.00 -0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 38.61 3cas h ASP 129 CO 0.00 0.78 1.11 -0.70 -1.57 0.00 0.00 179.24 178.86 3cas s GLU 130 N -4.57 4.18 0.27 3.56 2.56 -1.26 -4.89 118.70 118.55 3cas s GLU 130 Ca -0.08 2.26 0.02 0.00 0.00 0.00 0.00 54.97 57.18 3cas s GLU 130 Cb 0.14 -4.00 0.39 0.00 2.00 0.00 0.00 34.13 32.66 3cas s GLU 130 CO 0.80 -0.86 1.70 0.82 -0.56 0.00 0.00 175.26 177.17 3cas h ILE 131 N 5.55 1.27 -3.01 -3.70 2.04 -1.98 -3.34 117.51 114.35 3cas h ILE 131 Ca -0.41 -1.32 -0.62 0.00 1.00 0.00 0.00 64.86 63.51 3cas h ILE 131 Cb 1.19 1.40 -0.41 0.00 -0.74 0.00 0.00 36.82 38.25 3cas h ILE 131 CO 0.95 0.42 -0.63 -0.31 0.00 0.00 0.00 178.15 178.58 3cas s TYR 132 N -4.44 3.23 0.11 1.37 1.51 -1.26 -4.84 117.35 113.02 3cas s TYR 132 Ca -0.07 -3.20 -0.30 0.00 -1.01 0.00 0.00 57.07 52.49 3cas s TYR 132 Cb 0.14 -2.48 -0.06 0.00 -0.11 0.00 0.00 41.96 39.44 3cas s TYR 132 CO 0.79 -0.59 1.17 -1.25 -1.11 0.00 0.00 175.55 174.56 3cas s PRO 133 N -1.21 4.48 -0.10 -1.71 0.04 -1.26 -5.03 135.00 130.21 3cas s PRO 133 Ca 0.25 1.76 -0.16 0.00 0.04 0.00 0.00 61.00 62.89 3cas s PRO 133 Cb -0.04 -3.32 0.04 0.00 0.04 0.00 0.00 34.50 31.22 3cas s PRO 133 CO -0.16 -0.14 0.42 1.03 0.04 0.00 0.00 177.00 178.18 3cas s ARG 134 N 0.51 0.61 0.36 4.56 0.52 -1.26 -1.62 118.95 122.63 3cas s ARG 134 Ca 0.55 0.32 -0.06 0.00 -0.52 0.00 0.00 55.73 56.02 3cas s ARG 134 Cb -0.30 0.29 0.09 0.00 0.52 0.00 0.00 34.95 35.55 3cas s ARG 134 CO 0.32 -0.12 0.41 -0.40 0.02 0.00 0.00 175.30 175.52 3cas n ASP 135 N 2.17 -0.58 0.11 0.23 5.68 -0.51 -4.83 116.55 118.81 3cas n ASP 135 Ca -0.16 -0.97 0.09 0.00 -0.50 0.00 0.00 54.79 53.25 3cas n ASP 135 Cb 0.57 -0.34 0.44 0.00 -1.14 0.00 0.00 41.12 40.65 3cas n ASP 135 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3cas n GLU 136 N -2.23 0.12 -0.29 0.11 0.28 -1.26 -1.72 120.64 115.65 3cas n GLU 136 Ca 0.05 0.51 0.11 0.00 -0.16 0.00 0.00 57.16 57.67 3cas n GLU 136 Cb 0.19 -1.82 0.27 0.00 1.43 0.00 0.00 31.44 31.51 3cas n GLU 136 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3cas n ASN 137 N -2.06 3.67 -0.03 -1.84 3.02 -1.26 -4.95 115.26 111.82 3cas n ASN 137 Ca 0.00 -1.99 -0.00 0.00 -0.03 0.00 0.00 54.58 52.56 3cas n ASN 137 Cb 0.11 -0.38 -0.00 0.00 -0.61 0.00 0.00 39.78 38.90 3cas n ASN 137 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cas n GLY 138 N 1.49 0.47 3.70 7.41 0.00 -0.70 -5.01 105.19 112.54 3cas n GLY 138 Ca 0.21 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3cas n GLY 138 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cas s LYS 139 N -0.54 4.42 0.28 1.61 2.20 -1.26 -4.82 119.74 121.62 3cas s LYS 139 Ca 0.00 1.05 -0.30 0.00 -0.36 0.00 0.00 55.97 56.36 3cas s LYS 139 Cb 0.00 -3.49 -0.10 0.00 -1.51 0.00 0.00 37.83 32.73 3cas s LYS 139 CO 0.00 -0.08 1.45 -1.58 -0.36 0.00 0.00 175.35 174.78 3cas s TRP 140 N 1.26 2.95 -0.70 4.03 0.52 -1.26 -1.43 118.94 124.31 3cas s TRP 140 Ca 0.41 1.06 -0.18 0.00 0.02 0.00 0.00 56.10 57.40 3cas s TRP 140 Cb -0.18 -3.86 0.13 0.00 -1.15 0.00 0.00 33.47 28.41 3cas s TRP 140 CO 0.19 -2.72 0.82 -0.51 0.02 0.00 0.00 176.95 174.75 3cas s LEU 141 N -0.74 5.47 0.54 2.99 1.43 -0.64 -4.90 118.68 122.84 3cas s LEU 141 Ca 0.58 -1.73 -0.03 0.00 -1.03 0.00 0.00 54.13 51.92 3cas s LEU 141 Cb -0.43 -2.32 0.01 0.00 0.03 0.00 0.00 46.19 43.49 3cas s LEU 141 CO 0.47 -1.04 0.81 -0.31 0.23 0.00 0.00 176.35 176.51 3cas s TYR 142 N 2.39 3.19 0.20 0.29 4.12 -1.26 -1.00 117.35 125.27 3cas s TYR 142 Ca 0.18 0.43 0.04 0.00 0.02 0.00 0.00 57.07 57.73 3cas s TYR 142 Cb -0.18 -2.61 -0.05 0.00 -1.52 0.00 0.00 41.96 37.60 3cas s TYR 142 CO 0.01 -0.70 -0.03 -1.58 0.02 0.00 0.00 175.55 173.27 3cas s HIS 143 N -2.83 1.44 -0.21 2.71 2.46 -0.44 -4.16 115.29 114.26 3cas s HIS 143 Ca 0.53 -0.88 -0.29 0.00 0.47 0.00 0.00 55.06 54.89 3cas s HIS 143 Cb -0.10 -0.80 0.01 0.00 -0.13 0.00 0.00 32.58 31.55 3cas s HIS 143 CO 0.42 -0.02 1.03 0.21 -2.47 0.00 0.00 174.74 173.91 3cas s LYS 144 N -3.83 4.29 0.45 2.88 2.20 -1.26 -4.47 119.74 120.00 3cas s LYS 144 Ca 0.24 1.36 -0.21 0.00 -0.36 0.00 0.00 55.97 57.00 3cas s LYS 144 Cb 0.05 -3.62 -0.10 0.00 -1.51 0.00 0.00 37.83 32.65 3cas s LYS 144 CO 0.06 -0.57 1.00 -1.12 -0.36 0.00 0.00 175.35 174.35 3cas s SER 145 N 1.18 6.67 -0.50 1.43 0.01 -1.26 -4.93 113.70 116.31 3cas s SER 145 Ca 0.45 1.84 0.06 0.00 1.31 0.00 0.00 55.95 59.60 3cas s SER 145 Cb -0.16 -2.55 0.19 0.00 0.21 0.00 0.00 66.02 63.71 3cas s SER 145 CO 0.08 -0.55 0.67 -3.20 0.41 0.00 0.00 173.24 170.65 3cas n ASN 146 N -0.69 -2.82 -0.02 2.44 2.85 -1.26 -5.03 115.26 110.72 3cas n ASN 146 Ca 0.08 -2.86 0.17 0.00 -0.11 0.00 0.00 54.58 51.86 3cas n ASN 146 Cb 0.53 1.32 0.63 0.00 1.24 0.00 0.00 39.78 43.49 3cas n ASN 146 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 3cas h LEU 147 N 4.99 0.12 -0.06 1.20 3.38 -1.95 -1.55 115.31 121.44 3cas h LEU 147 Ca 0.08 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.80 3cas h LEU 147 Cb 1.06 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 41.81 3cas h LEU 147 CO 0.11 0.07 -1.00 0.00 0.09 0.00 0.00 178.44 177.71 3cas h ALA 149 N 0.51 0.76 -0.41 0.00 0.00 -1.83 -1.98 119.26 116.30 3cas h ALA 149 Ca -0.11 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.24 3cas h ALA 149 Cb 1.65 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 3cas h ALA 149 CO 0.19 0.66 -0.17 1.15 0.00 0.00 0.00 179.25 181.08 3cas h THR 150 N 0.56 1.28 -0.71 0.00 2.02 -1.34 -2.77 112.91 111.96 3cas h THR 150 Ca 0.05 -1.30 -0.03 0.00 0.77 0.00 0.00 66.41 65.90 3cas h THR 150 Cb 0.94 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.56 3cas h THR 150 CO 0.08 0.44 0.32 -0.25 0.37 0.00 0.00 175.52 176.48 3cas h TRP 151 N 0.65 1.02 -0.68 3.16 2.91 -1.11 -1.56 115.95 120.34 3cas h TRP 151 Ca 0.09 -0.05 -0.03 0.00 1.13 0.00 0.00 58.89 60.04 3cas h TRP 151 Cb 0.72 -0.32 -0.03 0.00 -0.51 0.00 0.00 29.16 29.02 3cas h TRP 151 CO 0.05 0.75 0.30 0.93 -1.03 0.00 0.00 178.44 179.45 3cas h GLU 152 N 1.01 0.98 -0.56 2.65 5.08 -1.25 -0.55 114.58 121.94 3cas h GLU 152 Ca 0.24 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 3cas h GLU 152 Cb 0.13 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3cas h GLU 152 CO -0.03 0.77 0.11 0.00 -1.00 0.00 0.00 179.01 178.87 3cas h ALA 153 N 1.36 1.14 -0.54 3.43 0.00 -1.03 -2.23 119.26 121.39 3cas h ALA 153 Ca 0.23 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3cas h ALA 153 Cb 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3cas h ALA 153 CO -0.03 0.58 0.01 0.52 0.00 0.00 0.00 179.25 180.33 3cas h MET 154 N 0.85 0.94 -0.48 0.00 2.86 -0.42 -2.83 114.93 115.84 3cas h MET 154 Ca 0.18 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 3cas h MET 154 Cb 0.34 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 3cas h MET 154 CO 0.00 0.95 0.22 0.93 1.06 0.00 0.00 176.91 180.07 3cas h GLU 155 N 0.82 0.68 -0.43 1.72 5.08 -0.72 -1.48 114.58 120.24 3cas h GLU 155 Ca 0.15 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3cas h GLU 155 Cb 0.52 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3cas h GLU 155 CO 0.03 0.54 0.03 0.00 -1.00 0.00 0.00 179.01 178.60 3cas h ALA 156 N 1.57 1.26 -0.62 3.43 0.00 -1.18 -1.75 119.26 121.97 3cas h ALA 156 Ca 0.17 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3cas h ALA 156 Cb 0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3cas h ALA 156 CO -0.02 0.50 0.18 0.00 0.00 0.00 0.00 179.25 179.91 3cas h LYS 158 N 0.92 0.45 -0.26 0.00 3.64 -1.12 -2.41 116.57 117.79 3cas h LYS 158 Ca 0.20 -0.20 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 3cas h LYS 158 Cb 0.28 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3cas h LYS 158 CO -0.01 0.73 0.18 -0.44 -2.27 0.00 0.00 179.45 177.65 3cas h ASP 159 N 0.16 0.08 -0.02 4.20 3.32 -1.02 0.92 116.42 124.06 3cas h ASP 159 Ca 0.05 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3cas h ASP 159 Cb 0.60 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3cas h ASP 159 CO 0.03 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 177.60 3cas n ALA 160 N -2.56 2.63 -1.09 3.45 0.00 -0.66 -4.92 120.51 117.36 3cas n ALA 160 Ca 0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 53.44 53.16 3cas n ALA 160 Cb 0.27 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.35 3cas n ALA 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cas n GLY 161 N 1.02 0.61 0.06 0.00 0.00 0.32 -4.92 105.19 102.29 3cas n GLY 161 Ca 0.20 -0.52 0.13 0.00 0.00 0.00 0.00 46.02 45.83 3cas n GLY 161 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cas n LEU 162 N -0.34 0.61 -3.69 0.99 4.77 -0.92 -4.75 117.00 113.67 3cas n LEU 162 Ca -0.03 0.36 -0.14 0.00 -0.03 0.00 0.00 56.01 56.17 3cas n LEU 162 Cb 0.14 -0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 40.86 3cas n LEU 162 CO 0.05 -0.07 0.18 0.54 -1.33 0.00 0.00 177.39 176.76 3cas s VAL 163 N -3.10 0.01 -0.07 4.08 0.11 -1.25 -2.07 120.40 118.11 3cas s VAL 163 Ca 0.09 -0.12 -0.23 0.00 -2.93 0.00 0.00 61.98 58.80 3cas s VAL 163 Cb 0.14 -0.73 -0.30 0.00 -1.53 0.00 0.00 36.38 33.97 3cas s VAL 163 CO 0.65 -0.06 0.84 0.11 -3.33 0.00 0.00 175.10 173.30 3cas h LYS 164 N 4.59 0.24 -4.82 1.54 1.79 -1.44 -3.40 116.57 115.06 3cas h LYS 164 Ca -0.28 -0.40 -0.31 0.00 -2.18 0.00 0.00 60.65 57.47 3cas h LYS 164 Cb 1.17 0.15 -0.21 0.00 -1.58 0.00 0.00 32.23 31.76 3cas h LYS 164 CO 0.28 1.19 -0.74 -1.12 -1.08 0.00 0.00 179.45 177.98 3cas s SER 165 N -6.84 1.15 0.07 0.86 0.01 -0.46 -5.03 113.70 103.47 3cas s SER 165 Ca -0.15 -0.62 0.06 0.00 1.31 0.00 0.00 55.95 56.55 3cas s SER 165 Cb 0.00 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.21 3cas s SER 165 CO 0.80 -0.19 -0.10 -0.76 0.41 0.00 0.00 173.24 173.39 3cas s LEU 166 N -1.78 3.00 0.00 2.44 1.43 -1.26 -2.31 118.68 120.20 3cas s LEU 166 Ca -0.05 -0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 52.65 3cas s LEU 166 Cb -0.09 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.37 3cas s LEU 166 CO 0.01 0.21 0.26 0.61 0.23 0.00 0.00 176.35 177.67 3cas n GLY 167 N 1.00 1.65 3.31 -3.19 0.00 -0.87 -1.40 105.19 105.69 3cas n GLY 167 Ca -0.14 -1.09 -0.17 0.00 0.00 0.00 0.00 46.02 44.62 3cas n GLY 167 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cas s VAL 168 N -2.70 0.41 -0.05 1.61 -7.23 -0.25 -2.21 120.40 109.99 3cas s VAL 168 Ca 0.05 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.18 3cas s VAL 168 Cb -0.02 -2.58 0.02 0.00 0.56 0.00 0.00 36.38 34.36 3cas s VAL 168 CO 0.04 0.00 0.13 -0.55 -0.31 0.00 0.00 175.10 174.41 3cas s SER 169 N -3.31 -0.12 -1.41 4.85 0.15 0.02 -1.05 113.70 112.82 3cas s SER 169 Ca 0.37 0.26 0.00 0.00 0.70 0.00 0.00 55.95 57.28 3cas s SER 169 Cb 0.07 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 3cas s SER 169 CO 0.15 -0.07 0.00 0.59 1.20 0.00 0.00 173.24 175.11 3cas n ASN 170 N 3.27 -4.87 -4.85 5.45 3.02 -0.40 -3.78 115.26 113.09 3cas n ASN 170 Ca -0.15 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.02 3cas n ASN 170 Cb 0.58 -3.97 -0.06 0.00 -0.61 0.00 0.00 39.78 35.72 3cas n ASN 170 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3cas s PHE 171 N -2.81 3.68 0.47 3.10 0.40 -1.26 -4.44 117.98 117.11 3cas s PHE 171 Ca 0.00 0.81 0.05 0.00 -0.60 0.00 0.00 56.93 57.20 3cas s PHE 171 Cb 0.00 -2.15 0.08 0.00 0.51 0.00 0.00 43.02 41.46 3cas s PHE 171 CO 0.00 0.68 0.65 0.27 0.70 0.00 0.00 175.22 177.51 3cas n ASN 172 N 1.86 1.45 -0.05 1.36 0.23 -1.26 -4.91 115.26 113.94 3cas n ASN 172 Ca -0.16 -2.08 -0.09 0.00 -0.53 0.00 0.00 54.58 51.72 3cas n ASN 172 Cb 0.53 -0.36 -0.02 0.00 -2.08 0.00 0.00 39.78 37.85 3cas n ASN 172 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 3cas h ARG 173 N 0.00 0.12 -0.60 -3.83 2.43 -1.21 -2.15 114.38 109.14 3cas h ARG 173 Ca -0.22 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 58.98 3cas h ARG 173 Cb 0.94 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.42 3cas h ARG 173 CO 0.29 0.08 0.36 -0.09 -1.51 0.00 0.00 179.97 179.09 3cas h ARG 174 N 0.12 0.68 -0.22 0.20 2.43 -1.96 -1.15 114.38 114.49 3cas h ARG 174 Ca 0.10 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 3cas h ARG 174 Cb 0.09 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3cas h ARG 174 CO -0.13 0.45 -0.09 1.96 -1.51 0.00 0.00 179.97 180.65 3cas h GLN 175 N 0.70 0.34 -0.18 0.20 4.20 -1.91 -1.68 115.11 116.78 3cas h GLN 175 Ca 0.25 -0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.78 3cas h GLN 175 Cb 0.05 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 3cas h GLN 175 CO -0.12 0.44 -0.27 -0.07 -0.67 0.00 0.00 178.83 178.14 3cas h LEU 176 N 0.32 0.56 -1.58 1.46 3.38 -0.84 -3.17 115.31 115.45 3cas h LEU 176 Ca 0.07 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 3cas h LEU 176 Cb 0.36 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3cas h LEU 176 CO 0.02 0.97 -0.14 -0.33 0.09 0.00 0.00 178.44 179.05 3cas h GLU 177 N 0.16 0.00 -0.20 1.13 5.08 -0.90 -0.97 114.58 118.88 3cas h GLU 177 Ca 0.02 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 3cas h GLU 177 Cb 0.85 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3cas h GLU 177 CO 0.06 0.14 -0.18 -0.07 -1.00 0.00 0.00 179.01 177.97 3cas h LEU 178 N 0.00 0.33 0.14 1.33 3.38 -1.28 -1.33 115.31 117.87 3cas h LEU 178 Ca -0.00 -0.09 -0.28 0.00 0.09 0.00 0.00 57.88 57.60 3cas h LEU 178 Cb 0.51 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3cas h LEU 178 CO 0.02 0.53 -1.40 0.40 0.09 0.00 0.00 178.44 178.08 3cas h ILE 179 N 0.32 1.08 0.00 1.22 1.08 -1.44 -3.25 117.51 116.52 3cas h ILE 179 Ca 0.06 -2.45 -0.03 0.00 -0.39 0.00 0.00 64.86 62.05 3cas h ILE 179 Cb 0.50 2.80 -0.00 0.00 -3.07 0.00 0.00 36.82 37.05 3cas h ILE 179 CO 0.03 0.74 -0.12 -0.07 -0.69 0.00 0.00 178.15 178.04 3cas h LEU 180 N -0.22 0.00 -2.70 1.44 3.38 -1.09 -2.33 115.31 113.79 3cas h LEU 180 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3cas h LEU 180 Cb 1.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.57 3cas h LEU 180 CO 0.10 0.12 0.00 0.59 0.09 0.00 0.00 178.44 179.34 3cas n ASN 181 N -4.10 3.64 -4.74 -0.43 3.02 -0.51 -4.99 115.26 107.14 3cas n ASN 181 Ca -0.02 -1.99 -0.41 0.00 -0.03 0.00 0.00 54.58 52.12 3cas n ASN 181 Cb 0.21 -0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 3cas n ASN 181 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3cas s LYS 182 N -1.06 4.22 0.23 3.52 2.20 -0.88 -4.95 119.74 123.02 3cas s LYS 182 Ca 0.41 2.38 -0.30 0.00 -0.36 0.00 0.00 55.97 58.11 3cas s LYS 182 Cb 0.22 -3.09 -0.10 0.00 -1.51 0.00 0.00 37.83 33.35 3cas s LYS 182 CO 0.29 -0.50 1.43 -2.14 -0.36 0.00 0.00 175.35 174.07 3cas s PRO 183 N -0.27 4.28 -0.83 4.03 0.02 -1.26 -2.56 135.00 138.42 3cas s PRO 183 Ca 0.61 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.89 3cas s PRO 183 Cb -0.44 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 30.95 3cas s PRO 183 CO 0.43 -0.41 0.00 0.41 -0.33 0.00 0.00 177.00 177.11 3cas n GLY 184 N 2.36 0.94 3.65 0.52 0.00 -1.26 -4.96 105.19 106.44 3cas n GLY 184 Ca 0.07 -0.68 -0.47 0.00 0.00 0.00 0.00 46.02 44.94 3cas n GLY 184 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3cas n LEU 185 N -0.91 2.71 -0.06 0.99 7.94 -1.06 -4.89 117.00 121.73 3cas n LEU 185 Ca -0.08 1.11 -0.08 0.00 -1.11 0.00 0.00 56.01 55.85 3cas n LEU 185 Cb 0.27 -1.37 -0.05 0.00 0.53 0.00 0.00 43.42 42.80 3cas n LEU 185 CO 0.12 -0.56 -0.87 1.17 -1.11 0.00 0.00 177.39 176.14 3cas n LYS 186 N 2.74 0.35 -3.77 1.96 4.81 -1.26 -4.95 118.16 118.03 3cas n LYS 186 Ca 0.16 0.06 -0.29 0.00 -0.87 0.00 0.00 58.31 57.37 3cas n LYS 186 Cb 0.27 -1.23 -0.16 0.00 0.02 0.00 0.00 35.03 33.94 3cas n LYS 186 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 3cas s HIS 187 N -2.23 1.53 0.56 5.64 3.76 -1.26 -5.13 115.29 118.16 3cas s HIS 187 Ca -0.15 -1.35 -0.17 0.00 -0.15 0.00 0.00 55.06 53.24 3cas s HIS 187 Cb 0.04 -1.38 -0.05 0.00 1.11 0.00 0.00 32.58 32.30 3cas s HIS 187 CO 0.26 -0.74 1.06 -1.59 -0.85 0.00 0.00 174.74 172.88 3cas s LYS 188 N 1.69 3.45 0.27 1.40 -2.85 -1.26 -4.97 119.74 117.47 3cas s LYS 188 Ca 0.02 1.28 -0.31 0.00 -1.00 0.00 0.00 55.97 55.96 3cas s LYS 188 Cb -0.17 -2.05 -0.12 0.00 -2.06 0.00 0.00 37.83 33.43 3cas s LYS 188 CO -0.14 -0.71 1.61 -2.30 0.10 0.00 0.00 175.35 173.91 3cas n PRO 189 N -1.69 2.67 0.01 1.78 -0.02 -1.26 -4.82 135.00 131.68 3cas n PRO 189 Ca 0.09 0.95 0.11 0.00 -2.02 0.00 0.00 63.50 62.63 3cas n PRO 189 Cb 0.53 -2.74 -0.09 0.00 -0.02 0.00 0.00 33.50 31.17 3cas n PRO 189 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3cas n VAL 190 N 2.51 0.11 -3.49 -1.45 3.14 -0.49 -4.77 118.33 113.90 3cas n VAL 190 Ca 0.10 -0.35 -0.13 0.00 -2.96 0.00 0.00 64.34 61.01 3cas n VAL 190 Cb 0.36 0.19 -0.03 0.00 -1.06 0.00 0.00 33.84 33.30 3cas n VAL 190 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3cas s SER 191 N -4.19 -0.50 -0.14 6.55 1.04 -1.26 -1.82 113.70 113.37 3cas s SER 191 Ca -0.01 0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.44 3cas s SER 191 Cb 0.14 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.86 3cas s SER 191 CO 0.86 -0.88 0.02 0.21 0.98 0.00 0.00 173.24 174.44 3cas s ASN 192 N -2.50 2.35 -0.33 7.02 2.47 -0.93 -1.09 114.94 121.93 3cas s ASN 192 Ca -0.01 -0.51 -0.20 0.00 0.42 0.00 0.00 52.86 52.56 3cas s ASN 192 Cb -0.00 -0.52 -0.00 0.00 -1.45 0.00 0.00 41.25 39.27 3cas s ASN 192 CO -0.09 -0.26 0.62 -1.58 -3.72 0.00 0.00 177.10 172.07 3cas s GLN 193 N 1.92 3.80 0.18 0.43 0.74 -0.22 -2.29 119.66 124.22 3cas s GLN 193 Ca 0.02 0.16 -0.03 0.00 0.05 0.00 0.00 55.36 55.57 3cas s GLN 193 Cb -0.15 -3.76 -0.03 0.00 1.10 0.00 0.00 33.01 30.16 3cas s GLN 193 CO -0.07 -0.63 0.15 0.14 -0.55 0.00 0.00 175.29 174.33 3cas s VAL 194 N 2.62 0.04 0.16 1.34 -7.23 -0.72 -1.27 120.40 115.33 3cas s VAL 194 Ca 0.24 -1.88 -0.31 0.00 -1.81 0.00 0.00 61.98 58.22 3cas s VAL 194 Cb -0.15 -2.29 -0.09 0.00 0.56 0.00 0.00 36.38 34.41 3cas s VAL 194 CO 0.13 -0.16 1.46 -0.70 -0.31 0.00 0.00 175.10 175.52 3cas s GLU 195 N -4.10 4.28 -0.27 4.82 2.12 -1.26 -0.63 118.70 123.65 3cas s GLU 195 Ca 0.32 2.21 -0.13 0.00 0.36 0.00 0.00 54.97 57.72 3cas s GLU 195 Cb 0.06 -3.19 0.09 0.00 0.26 0.00 0.00 34.13 31.36 3cas s GLU 195 CO 0.08 -0.48 0.64 0.00 -0.54 0.00 0.00 175.26 174.95 3cas s HIS 197 N 2.06 0.04 0.64 0.00 -3.43 -1.07 -4.28 115.29 109.26 3cas s HIS 197 Ca -0.08 -0.41 0.30 0.00 -0.80 0.00 0.00 55.06 54.07 3cas s HIS 197 Cb -0.08 0.68 1.65 0.00 -1.43 0.00 0.00 32.58 33.41 3cas s HIS 197 CO -0.19 -0.87 1.96 -1.35 -2.00 0.00 0.00 174.74 172.30 3cas h PRO 198 N 2.00 0.00 0.00 -0.38 0.11 -1.89 -0.21 132.00 131.63 3cas h PRO 198 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3cas h PRO 198 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3cas h PRO 198 CO 0.34 0.00 -0.77 0.66 -0.21 0.00 0.00 178.00 178.02 3cas n TYR 199 N -3.14 0.17 -3.09 0.65 0.53 -1.26 -2.00 117.16 109.02 3cas n TYR 199 Ca 0.00 0.05 -0.18 0.00 -1.02 0.00 0.00 57.90 56.75 3cas n TYR 199 Cb 0.41 -0.34 -0.04 0.00 -1.03 0.00 0.00 39.34 38.34 3cas n TYR 199 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 3cas n PHE 200 N -1.75 -1.81 0.37 -0.72 7.35 -0.14 -1.47 117.46 119.29 3cas n PHE 200 Ca 0.04 -2.70 0.06 0.00 -0.76 0.00 0.00 57.45 54.09 3cas n PHE 200 Cb 0.38 0.58 0.27 0.00 0.35 0.00 0.00 39.48 41.06 3cas n PHE 200 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3cas n THR 201 N 2.25 1.21 -3.66 -2.13 -2.24 -0.91 -2.61 114.28 106.19 3cas n THR 201 Ca 0.21 0.32 -0.25 0.00 -2.27 0.00 0.00 64.05 62.07 3cas n THR 201 Cb 0.54 -1.15 0.04 0.00 -2.10 0.00 0.00 70.33 67.65 3cas n THR 201 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cas n GLN 202 N -1.59 -3.07 -0.16 -0.78 1.13 -1.26 -4.87 117.38 106.77 3cas n GLN 202 Ca 0.02 0.57 -0.08 0.00 -1.94 0.00 0.00 57.00 55.57 3cas n GLN 202 Cb 0.13 -4.82 0.00 0.00 0.11 0.00 0.00 30.24 25.67 3cas n GLN 202 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 3cas h PRO 203 N -1.77 0.68 0.14 -1.09 0.13 -2.00 -2.01 132.00 126.09 3cas h PRO 203 Ca -0.63 -0.12 -0.31 0.00 -0.87 0.00 0.00 66.00 64.07 3cas h PRO 203 Cb 1.35 -0.11 0.03 0.00 0.13 0.00 0.00 31.00 32.40 3cas h PRO 203 CO 0.52 0.61 -1.29 0.87 -0.23 0.00 0.00 178.00 178.49 3cas h LYS 204 N 0.60 0.61 -0.44 0.86 1.57 -1.97 -2.90 116.57 114.90 3cas h LYS 204 Ca 0.15 -0.85 -0.09 0.00 -1.87 0.00 0.00 60.65 57.99 3cas h LYS 204 Cb 0.18 0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 3cas h LYS 204 CO -0.01 1.39 -0.10 1.25 -0.57 0.00 0.00 179.45 181.40 3cas h LEU 205 N 0.25 0.78 -0.03 2.94 5.85 -1.89 -1.77 115.31 121.45 3cas h LEU 205 Ca -0.20 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 3cas h LEU 205 Cb 1.97 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.78 3cas h LEU 205 CO 0.25 0.91 0.01 0.25 -0.34 0.00 0.00 178.44 179.52 3cas h LEU 206 N 0.72 0.04 -0.60 2.25 5.85 -1.45 -1.44 115.31 120.68 3cas h LEU 206 Ca 0.12 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.73 3cas h LEU 206 Cb 0.59 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 3cas h LEU 206 CO 0.04 0.20 0.30 0.50 -0.34 0.00 0.00 178.44 179.14 3cas h LYS 207 N -0.13 0.55 0.08 1.25 3.64 -1.38 -0.07 116.57 120.52 3cas h LYS 207 Ca 0.01 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3cas h LYS 207 Cb 0.17 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3cas h LYS 207 CO -0.00 0.36 -0.04 0.35 -2.27 0.00 0.00 179.45 177.85 3cas h PHE 208 N 0.56 -0.10 -0.98 1.91 3.57 -1.21 -2.30 116.94 118.40 3cas h PHE 208 Ca 0.28 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.82 3cas h PHE 208 Cb 0.21 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.93 3cas h PHE 208 CO -0.10 0.02 0.63 0.00 -2.23 0.00 0.00 178.31 176.63 3cas h GLN 210 N 1.19 1.29 0.00 0.00 4.20 -0.83 0.39 115.11 121.34 3cas h GLN 210 Ca 0.41 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 59.01 3cas h GLN 210 Cb 0.09 -0.28 -0.00 0.00 0.30 0.00 0.00 27.48 27.59 3cas h GLN 210 CO -0.15 0.88 -0.01 1.96 -0.67 0.00 0.00 178.83 180.84 3cas h GLN 211 N 1.31 0.00 -0.25 1.46 4.20 -0.72 -2.24 115.11 118.87 3cas h GLN 211 Ca 0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.06 3cas h GLN 211 Cb -0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.69 3cas h GLN 211 CO -0.07 0.01 0.00 0.72 -0.67 0.00 0.00 178.83 178.82 3cas n HIS 212 N -3.19 0.49 -3.15 2.96 8.25 -0.46 -4.98 115.22 115.14 3cas n HIS 212 Ca -0.02 -0.63 -0.21 0.00 -0.26 0.00 0.00 57.72 56.60 3cas n HIS 212 Cb 0.13 -0.11 0.05 0.00 1.12 0.00 0.00 29.99 31.17 3cas n HIS 212 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3cas n ASP 213 N -0.02 -5.96 -4.61 0.41 8.00 -0.74 -4.99 116.55 108.64 3cas n ASP 213 Ca 0.13 -0.34 -0.34 0.00 0.71 0.00 0.00 54.79 54.94 3cas n ASP 213 Cb 0.53 -4.72 -0.10 0.00 -0.02 0.00 0.00 41.12 36.82 3cas n ASP 213 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3cas s ILE 214 N -3.19 4.64 -0.16 0.53 1.01 0.00 -4.33 121.20 119.70 3cas s ILE 214 Ca 0.37 -0.09 -0.16 0.00 0.00 0.00 0.00 60.65 60.77 3cas s ILE 214 Cb -0.16 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 3cas s ILE 214 CO 0.46 0.46 0.39 -0.69 0.00 0.00 0.00 174.94 175.56 3cas s VAL 215 N 0.39 5.23 -0.04 2.92 1.01 -0.76 -4.02 120.40 125.13 3cas s VAL 215 Ca 0.02 0.74 -0.24 0.00 0.00 0.00 0.00 61.98 62.50 3cas s VAL 215 Cb -0.13 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 3cas s VAL 215 CO 0.01 0.32 0.71 -0.63 0.00 0.00 0.00 175.10 175.51 3cas s ILE 216 N 0.83 4.97 -0.21 2.22 1.01 -1.26 -2.19 121.20 126.57 3cas s ILE 216 Ca 0.21 1.49 -0.06 0.00 0.00 0.00 0.00 60.65 62.28 3cas s ILE 216 Cb -0.14 -4.06 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 3cas s ILE 216 CO 0.07 0.28 0.03 -0.89 0.00 0.00 0.00 174.94 174.44 3cas s THR 217 N 0.56 4.25 -0.39 2.92 2.01 -0.97 -1.89 115.64 122.13 3cas s THR 217 Ca 0.38 -0.21 -0.22 0.00 0.31 0.00 0.00 61.69 61.95 3cas s THR 217 Cb -0.18 -2.93 0.01 0.00 0.01 0.00 0.00 72.50 69.40 3cas s THR 217 CO 0.19 0.41 0.72 0.00 -0.69 0.00 0.00 174.62 175.25 3cas s ALA 218 N 1.00 3.39 0.54 7.40 0.00 0.15 -1.75 121.76 132.50 3cas s ALA 218 Ca 0.03 -0.87 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 3cas s ALA 218 Cb -0.14 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.66 3cas s ALA 218 CO 0.02 -1.58 0.82 1.52 0.00 0.00 0.00 175.76 176.54 3cas s TYR 219 N 2.98 3.24 -1.58 0.00 -0.85 0.20 -3.31 117.35 118.03 3cas s TYR 219 Ca 0.28 0.49 -0.07 0.00 -0.52 0.00 0.00 57.07 57.24 3cas s TYR 219 Cb -0.13 -2.59 0.07 0.00 0.38 0.00 0.00 41.96 39.68 3cas s TYR 219 CO 0.18 -0.66 0.39 0.43 -1.52 0.00 0.00 175.55 174.37 3cas n SER 220 N -2.40 -0.77 0.16 -0.18 7.64 -1.26 -3.18 113.62 113.64 3cas n SER 220 Ca 0.03 -1.13 0.12 0.00 1.01 0.00 0.00 58.87 58.91 3cas n SER 220 Cb 0.58 -2.34 0.57 0.00 -1.01 0.00 0.00 64.21 62.01 3cas n SER 220 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3cas h PRO 221 N -1.62 0.00 -0.46 1.43 0.13 -1.75 -0.97 132.00 128.77 3cas h PRO 221 Ca -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 3cas h PRO 221 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 3cas h PRO 221 CO 0.72 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.77 3cas n LEU 222 N -2.33 3.38 0.00 1.56 4.77 -1.26 -4.76 117.00 118.36 3cas n LEU 222 Ca 0.00 -1.73 0.00 0.00 -0.03 0.00 0.00 56.01 54.25 3cas n LEU 222 Cb 0.14 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3cas n LEU 222 CO 0.16 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 3cas n GLY 223 N 1.26 0.76 0.26 -0.72 0.00 -0.37 -4.56 105.19 101.83 3cas n GLY 223 Ca 0.18 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.99 3cas n GLY 223 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3cas n THR 224 N -2.43 -0.04 1.81 2.61 -2.24 -1.26 -4.51 114.28 108.23 3cas n THR 224 Ca 0.00 0.11 0.15 0.00 -2.27 0.00 0.00 64.05 62.04 3cas n THR 224 Cb 0.00 -0.20 0.84 0.00 -2.10 0.00 0.00 70.33 68.87 3cas n THR 224 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3cas n SER 225 N -2.74 0.22 -3.46 3.42 3.41 -1.26 -4.93 113.62 108.29 3cas n SER 225 Ca -0.01 -0.91 -0.17 0.00 -0.26 0.00 0.00 58.87 57.52 3cas n SER 225 Cb 0.12 -0.04 0.08 0.00 -0.26 0.00 0.00 64.21 64.11 3cas n SER 225 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3cas n ARG 226 N -0.89 -6.39 -2.90 4.33 1.74 -1.26 -4.97 116.66 106.32 3cas n ARG 226 Ca 0.21 0.83 -0.42 0.00 -0.77 0.00 0.00 57.85 57.70 3cas n ARG 226 Cb 0.17 -5.79 -0.04 0.00 -1.02 0.00 0.00 32.46 25.77 3cas n ARG 226 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3cas s ASN 227 N -4.35 6.70 0.66 0.55 3.84 -1.26 -4.91 114.94 116.17 3cas s ASN 227 Ca 0.01 0.72 0.13 0.00 0.21 0.00 0.00 52.86 53.92 3cas s ASN 227 Cb -0.00 -2.43 0.70 0.00 -0.55 0.00 0.00 41.25 38.97 3cas s ASN 227 CO 0.74 -0.65 1.39 1.55 -2.79 0.00 0.00 177.10 177.34 3cas h PRO 228 N 8.11 0.00 -0.09 0.43 0.13 -1.93 0.13 132.00 138.78 3cas h PRO 228 Ca -0.24 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.72 3cas h PRO 228 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3cas h PRO 228 CO 0.91 0.00 -0.68 0.82 -0.23 0.00 0.00 178.00 178.81 3cas h ILE 229 N 0.00 1.38 0.00 -3.56 2.04 -2.03 -3.37 117.51 111.97 3cas h ILE 229 Ca 0.00 -2.08 -0.01 0.00 1.00 0.00 0.00 64.86 63.78 3cas h ILE 229 Cb 1.44 2.05 -0.00 0.00 -0.74 0.00 0.00 36.82 39.58 3cas h ILE 229 CO -0.00 0.62 -1.12 0.79 0.00 0.00 0.00 178.15 178.45 3cas n TRP 230 N -3.85 0.00 -3.73 1.37 7.02 -0.13 -5.04 117.44 113.07 3cas n TRP 230 Ca -0.04 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.08 3cas n TRP 230 Cb 0.68 -0.07 -0.07 0.00 -2.42 0.00 0.00 31.31 29.43 3cas n TRP 230 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 3cas s VAL 231 N -2.13 5.40 -1.14 -0.99 1.01 0.27 -4.36 120.40 118.46 3cas s VAL 231 Ca -0.01 0.31 -0.21 0.00 0.00 0.00 0.00 61.98 62.07 3cas s VAL 231 Cb 0.01 -3.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.90 3cas s VAL 231 CO 0.09 0.50 1.78 0.21 0.00 0.00 0.00 175.10 177.68 3cas s ASN 232 N -0.21 5.94 0.00 3.32 2.47 -0.65 -4.54 114.94 121.28 3cas s ASN 232 Ca 0.13 -1.72 0.07 0.00 0.42 0.00 0.00 52.86 51.76 3cas s ASN 232 Cb -0.12 -2.58 0.38 0.00 -1.45 0.00 0.00 41.25 37.48 3cas s ASN 232 CO 0.02 -2.08 1.01 1.33 -3.72 0.00 0.00 177.10 173.66 3cas n VAL 233 N 7.17 0.56 -0.01 -5.21 0.24 -1.26 -2.48 118.33 117.34 3cas n VAL 233 Ca 0.43 0.14 -0.01 0.00 -2.04 0.00 0.00 64.34 62.86 3cas n VAL 233 Cb 0.47 -1.03 0.27 0.00 -1.47 0.00 0.00 33.84 32.09 3cas n VAL 233 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3cas h SER 234 N 0.00 0.52 -3.52 -1.34 4.64 -1.99 -3.41 113.55 108.45 3cas h SER 234 Ca 0.00 -0.11 -0.52 0.00 -0.47 0.00 0.00 61.79 60.69 3cas h SER 234 Cb 0.04 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 3cas h SER 234 CO 0.00 0.61 0.37 -0.55 -0.87 0.00 0.00 176.83 176.39 3cas s SER 235 N -6.73 7.45 0.91 4.97 0.15 -1.03 -5.02 113.70 114.39 3cas s SER 235 Ca -0.08 1.77 -0.11 0.00 0.70 0.00 0.00 55.95 58.24 3cas s SER 235 Cb 0.15 -2.58 0.12 0.00 -1.71 0.00 0.00 66.02 62.00 3cas s SER 235 CO 0.77 -0.13 1.04 -0.81 1.20 0.00 0.00 173.24 175.31 3cas n PRO 236 N 3.08 -0.35 -1.80 5.44 -0.04 -1.26 -4.91 135.00 135.17 3cas n PRO 236 Ca 0.03 -0.04 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 3cas n PRO 236 Cb 0.49 -2.30 -0.03 0.00 -0.04 0.00 0.00 33.50 31.63 3cas n PRO 236 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3cas s PRO 237 N -4.39 4.06 0.24 0.54 0.02 -1.26 -4.91 135.00 129.30 3cas s PRO 237 Ca 0.66 2.38 -0.05 0.00 0.02 0.00 0.00 61.00 64.01 3cas s PRO 237 Cb -0.24 -4.11 0.42 0.00 0.02 0.00 0.00 34.50 30.59 3cas s PRO 237 CO 0.58 -1.02 1.73 1.25 -0.33 0.00 0.00 177.00 179.22 3cas h LEU 238 N 10.87 0.25 0.00 -5.54 5.85 -1.89 -1.24 115.31 123.61 3cas h LEU 238 Ca -0.45 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3cas h LEU 238 Cb 1.21 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.33 3cas h LEU 238 CO 0.95 0.10 0.00 0.18 -0.34 0.00 0.00 178.44 179.33 3cas n LEU 239 N -5.01 0.00 -0.14 2.25 4.77 -1.26 -2.10 117.00 115.51 3cas n LEU 239 Ca 0.13 0.24 0.11 0.00 -0.03 0.00 0.00 56.01 56.45 3cas n LEU 239 Cb 0.39 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 3cas n LEU 239 CO 0.19 -0.10 0.15 0.29 -1.33 0.00 0.00 177.39 176.58 3cas n LYS 240 N -1.24 0.36 -1.60 3.23 4.76 -0.47 -4.82 118.16 118.39 3cas n LYS 240 Ca 0.09 -0.28 -0.53 0.00 -2.87 0.00 0.00 58.31 54.72 3cas n LYS 240 Cb 0.12 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 31.76 3cas n LYS 240 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3cas n ASP 241 N -1.08 1.67 0.04 4.39 -0.08 -0.89 -4.88 116.55 115.72 3cas n ASP 241 Ca 0.06 1.12 -0.10 0.00 -1.51 0.00 0.00 54.79 54.35 3cas n ASP 241 Cb 0.37 -1.18 -0.04 0.00 2.34 0.00 0.00 41.12 42.60 3cas n ASP 241 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3cas h ALA 242 N 4.71 -0.13 -0.02 -1.67 0.00 -1.93 -2.18 119.26 118.03 3cas h ALA 242 Ca -0.48 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 3cas h ALA 242 Cb 1.34 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 3cas h ALA 242 CO 0.79 -0.62 0.01 1.25 0.00 0.00 0.00 179.25 180.67 3cas h LEU 243 N -0.22 0.02 -1.17 0.00 5.85 -1.99 -0.48 115.31 117.32 3cas h LEU 243 Ca 0.06 -0.12 0.13 0.00 0.84 0.00 0.00 57.88 58.79 3cas h LEU 243 Cb 0.30 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 3cas h LEU 243 CO -0.17 0.13 0.59 -0.07 -0.34 0.00 0.00 178.44 178.59 3cas h LEU 244 N -0.09 0.78 -0.39 2.25 3.38 -1.92 0.20 115.31 119.53 3cas h LEU 244 Ca 0.01 0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 3cas h LEU 244 Cb 0.11 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3cas h LEU 244 CO -0.00 0.41 -0.71 0.78 0.09 0.00 0.00 178.44 179.01 3cas h ASN 245 N 0.84 0.55 -0.32 -0.43 2.35 -1.14 -2.41 115.58 115.01 3cas h ASN 245 Ca 0.46 -0.35 -0.10 0.00 -0.55 0.00 0.00 56.30 55.76 3cas h ASN 245 Cb 0.58 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 3cas h ASN 245 CO -0.22 1.10 -0.18 -1.28 -1.65 0.00 0.00 177.43 175.19 3cas h SER 246 N 0.32 0.72 -0.37 5.81 0.87 0.33 -2.89 113.55 118.34 3cas h SER 246 Ca -0.03 -0.42 -0.03 0.00 -1.23 0.00 0.00 61.79 60.08 3cas h SER 246 Cb 1.29 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 63.03 3cas h SER 246 CO 0.13 0.98 0.15 -0.07 -0.53 0.00 0.00 176.83 177.49 3cas h LEU 247 N 0.46 0.57 -1.00 2.23 4.07 -0.66 -2.42 115.31 118.57 3cas h LEU 247 Ca 0.07 -0.07 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 3cas h LEU 247 Cb 0.72 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 42.28 3cas h LEU 247 CO 0.05 0.54 0.39 1.23 -1.08 0.00 0.00 178.44 179.58 3cas h GLY 248 N 0.80 1.17 2.00 0.83 0.00 -1.24 -2.18 103.07 104.46 3cas h GLY 248 Ca 0.15 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 3cas h GLY 248 CO -0.01 0.53 -0.03 0.50 0.00 0.00 0.00 176.54 177.53 3cas h LYS 249 N 1.09 0.00 0.00 4.80 1.57 -1.24 0.20 116.57 123.00 3cas h LYS 249 Ca 0.27 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.95 3cas h LYS 249 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3cas h LYS 249 CO -0.04 0.03 -0.45 0.00 -0.57 0.00 0.00 179.45 178.43 3cas h ARG 250 N 0.00 0.00 -0.03 3.15 3.08 -1.39 -3.21 114.38 115.98 3cas h ARG 250 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3cas h ARG 250 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3cas h ARG 250 CO 0.00 0.45 0.00 0.66 -1.07 0.00 0.00 179.97 180.01 3cas n TYR 251 N -3.85 0.04 -3.46 3.04 4.02 -0.72 -4.99 117.16 111.24 3cas n TYR 251 Ca -0.01 -0.27 -0.18 0.00 -0.01 0.00 0.00 57.90 57.43 3cas n TYR 251 Cb 0.49 -0.02 0.09 0.00 -0.02 0.00 0.00 39.34 39.88 3cas n TYR 251 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3cas n ASN 252 N -0.12 -2.60 -4.29 7.72 5.15 0.45 -5.02 115.26 116.55 3cas n ASN 252 Ca 0.02 -0.62 -0.18 0.00 -0.60 0.00 0.00 54.58 53.20 3cas n ASN 252 Cb 0.17 -5.08 -0.11 0.00 -0.53 0.00 0.00 39.78 34.24 3cas n ASN 252 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3cas s LYS 253 N -5.51 1.17 0.74 1.20 -0.14 0.28 -5.01 119.74 112.46 3cas s LYS 253 Ca 0.08 -1.40 -0.10 0.00 -1.36 0.00 0.00 55.97 53.19 3cas s LYS 253 Cb -0.04 -1.01 0.06 0.00 -1.68 0.00 0.00 37.83 35.16 3cas s LYS 253 CO 0.73 0.18 1.10 0.95 -0.76 0.00 0.00 175.35 177.55 3cas s THR 254 N -2.52 2.49 0.20 2.17 -4.23 -1.26 -4.00 115.64 108.48 3cas s THR 254 Ca 0.15 0.02 -0.11 0.00 -1.18 0.00 0.00 61.69 60.57 3cas s THR 254 Cb -0.03 -3.13 0.13 0.00 1.34 0.00 0.00 72.50 70.81 3cas s THR 254 CO 0.04 -0.16 1.87 0.00 -0.54 0.00 0.00 174.62 175.83 3cas h ALA 255 N -0.79 0.87 -0.46 3.99 0.00 -1.88 -2.15 119.26 118.86 3cas h ALA 255 Ca -0.45 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.50 3cas h ALA 255 Cb 1.31 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 3cas h ALA 255 CO 0.64 0.28 0.03 0.00 0.00 0.00 0.00 179.25 180.20 3cas h ALA 256 N 1.26 0.46 -0.73 0.00 0.00 -1.92 -0.92 119.26 117.40 3cas h ALA 256 Ca 0.25 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 3cas h ALA 256 Cb -0.09 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3cas h ALA 256 CO -0.06 -0.36 0.42 1.96 0.00 0.00 0.00 179.25 181.21 3cas h GLN 257 N 0.15 0.99 -0.19 0.00 4.20 -1.77 -1.76 115.11 116.72 3cas h GLN 257 Ca 0.23 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 3cas h GLN 257 Cb 0.32 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3cas h GLN 257 CO -0.35 0.70 0.03 0.82 -0.67 0.00 0.00 178.83 179.36 3cas h ILE 258 N 1.00 1.23 -0.16 2.54 1.08 -0.60 -1.54 117.51 121.06 3cas h ILE 258 Ca 0.26 -0.76 -0.08 0.00 -0.39 0.00 0.00 64.86 63.89 3cas h ILE 258 Cb -0.02 1.36 -0.01 0.00 -3.07 0.00 0.00 36.82 35.08 3cas h ILE 258 CO -0.05 0.23 -0.24 -0.37 -0.69 0.00 0.00 178.15 177.03 3cas h VAL 259 N 0.11 1.24 -0.11 1.67 -1.51 -0.94 -0.77 116.25 115.94 3cas h VAL 259 Ca 0.06 -1.12 -0.06 0.00 -1.23 0.00 0.00 66.70 64.34 3cas h VAL 259 Cb 0.33 1.39 -0.00 0.00 -2.13 0.00 0.00 31.29 30.87 3cas h VAL 259 CO 0.00 0.34 -0.17 -0.07 -1.23 0.00 0.00 177.57 176.45 3cas h LEU 260 N 0.26 0.34 -1.45 4.19 3.38 -1.26 -2.98 115.31 117.79 3cas h LEU 260 Ca 0.04 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3cas h LEU 260 Cb 0.57 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3cas h LEU 260 CO 0.04 0.81 0.34 -0.09 0.09 0.00 0.00 178.44 179.63 3cas h ARG 261 N -0.12 0.71 0.01 1.13 9.65 -1.08 -2.06 114.38 122.62 3cas h ARG 261 Ca 0.01 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 58.86 3cas h ARG 261 Cb 0.74 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 29.14 3cas h ARG 261 CO 0.04 0.48 -0.14 0.35 2.80 0.00 0.00 179.97 183.50 3cas h PHE 262 N 0.72 -0.37 -0.25 2.20 3.57 -1.05 -0.66 116.94 121.10 3cas h PHE 262 Ca 0.19 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.57 3cas h PHE 262 Cb -0.06 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 3cas h PHE 262 CO 0.00 -0.21 -0.38 -0.91 -2.23 0.00 0.00 178.31 174.57 3cas h ASN 263 N -0.25 0.76 -0.00 0.41 2.35 -1.34 -3.14 115.58 114.37 3cas h ASN 263 Ca 0.05 -0.52 -0.07 0.00 -0.55 0.00 0.00 56.30 55.20 3cas h ASN 263 Cb 0.30 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3cas h ASN 263 CO -0.13 1.14 -0.19 0.16 -1.65 0.00 0.00 177.43 176.75 3cas h ILE 264 N 0.41 1.23 0.00 2.81 3.07 -1.30 0.10 117.51 123.83 3cas h ILE 264 Ca 0.02 -1.05 -0.00 0.00 1.55 0.00 0.00 64.86 65.38 3cas h ILE 264 Cb 0.98 1.29 -0.00 0.00 -0.27 0.00 0.00 36.82 38.82 3cas h ILE 264 CO 0.09 0.33 -0.01 -0.61 -1.05 0.00 0.00 178.15 176.90 3cas h GLN 265 N 0.32 0.00 -0.56 0.16 4.15 -1.11 -1.80 115.11 116.26 3cas h GLN 265 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.48 3cas h GLN 265 Cb 0.53 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.22 3cas h GLN 265 CO 0.03 0.01 0.00 2.89 -1.93 0.00 0.00 178.83 179.83 3cas n ARG 266 N -3.10 2.53 -0.77 1.69 1.85 -0.84 -4.93 116.66 113.09 3cas n ARG 266 Ca -0.00 -2.35 0.00 0.00 -1.00 0.00 0.00 57.85 54.49 3cas n ARG 266 Cb 0.24 -1.52 0.00 0.00 -1.05 0.00 0.00 32.46 30.13 3cas n ARG 266 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3cas n GLY 267 N 1.55 0.54 3.62 2.89 0.00 -0.68 -5.05 105.19 108.06 3cas n GLY 267 Ca 0.21 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 3cas n GLY 267 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cas s VAL 268 N -2.00 4.86 0.22 1.61 1.01 -0.04 -4.70 120.40 121.37 3cas s VAL 268 Ca 0.00 -0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 3cas s VAL 268 Cb 0.00 -3.22 -0.09 0.00 0.00 0.00 0.00 36.38 33.08 3cas s VAL 268 CO 0.00 0.42 1.19 -0.69 0.00 0.00 0.00 175.10 176.01 3cas s VAL 269 N 0.69 3.47 -0.06 2.92 1.01 -0.79 -3.07 120.40 124.58 3cas s VAL 269 Ca 0.04 1.31 0.05 0.00 0.00 0.00 0.00 61.98 63.38 3cas s VAL 269 Cb -0.13 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 3cas s VAL 269 CO 0.02 0.24 -0.22 0.68 0.00 0.00 0.00 175.10 175.82 3cas s VAL 270 N -0.40 2.34 -0.53 2.92 -7.23 -0.52 0.31 120.40 117.30 3cas s VAL 270 Ca 0.51 -0.97 0.07 0.00 -1.81 0.00 0.00 61.98 59.77 3cas s VAL 270 Cb -0.33 -1.87 0.32 0.00 0.56 0.00 0.00 36.38 35.05 3cas s VAL 270 CO 0.39 0.57 0.83 2.30 -0.31 0.00 0.00 175.10 178.88 3cas n ILE 271 N 2.81 1.95 -1.89 -0.62 -5.35 -1.21 -0.48 119.36 114.57 3cas n ILE 271 Ca -0.17 -5.17 -0.41 0.00 -0.27 0.00 0.00 62.75 56.72 3cas n ILE 271 Cb 0.52 -1.35 -0.02 0.00 -1.74 0.00 0.00 39.64 37.05 3cas n ILE 271 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 3cas s PRO 272 N -2.87 4.19 -0.09 6.28 0.04 -1.18 -3.07 135.00 138.31 3cas s PRO 272 Ca 0.44 2.45 -0.10 0.00 0.04 0.00 0.00 61.00 63.84 3cas s PRO 272 Cb 0.26 -3.05 -0.05 0.00 0.04 0.00 0.00 34.50 31.70 3cas s PRO 272 CO -0.10 -0.51 0.22 0.21 0.04 0.00 0.00 177.00 176.86 3cas s LYS 273 N -0.75 3.63 -0.29 4.56 2.36 -1.26 -1.25 119.74 126.75 3cas s LYS 273 Ca 0.59 0.04 -0.16 0.00 -2.55 0.00 0.00 55.97 53.89 3cas s LYS 273 Cb -0.45 -3.21 0.12 0.00 -1.05 0.00 0.00 37.83 33.24 3cas s LYS 273 CO 0.49 0.72 0.85 0.45 1.55 0.00 0.00 175.35 179.41 3cas s SER 274 N -0.95 -0.71 -0.23 1.43 0.15 -1.26 -4.93 113.70 107.20 3cas s SER 274 Ca 0.17 1.12 0.14 0.00 0.70 0.00 0.00 55.95 58.08 3cas s SER 274 Cb -0.13 1.37 0.56 0.00 -1.71 0.00 0.00 66.02 66.10 3cas s SER 274 CO 0.07 -0.17 1.49 0.49 1.20 0.00 0.00 173.24 176.31 3cas n PHE 275 N 4.12 1.21 -4.19 3.44 3.01 -1.26 -4.78 117.46 119.00 3cas n PHE 275 Ca -0.18 -1.10 -0.34 0.00 1.01 0.00 0.00 57.45 56.83 3cas n PHE 275 Cb 0.57 -0.41 -0.13 0.00 -0.01 0.00 0.00 39.48 39.50 3cas n PHE 275 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3cas s ASN 276 N -1.95 4.64 0.15 4.37 2.47 -1.26 -4.91 114.94 118.46 3cas s ASN 276 Ca 0.45 -0.23 -0.26 0.00 0.42 0.00 0.00 52.86 53.23 3cas s ASN 276 Cb 0.37 -1.78 0.01 0.00 -1.45 0.00 0.00 41.25 38.40 3cas s ASN 276 CO 0.07 0.08 1.58 0.25 -3.72 0.00 0.00 177.10 175.37 3cas h LEU 277 N 7.35 -1.32 -0.01 3.21 5.85 -1.99 0.11 115.31 128.50 3cas h LEU 277 Ca -0.35 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3cas h LEU 277 Cb 1.18 0.58 -0.00 0.00 0.37 0.00 0.00 40.66 42.79 3cas h LEU 277 CO 0.61 -0.37 0.01 -0.33 -0.34 0.00 0.00 178.44 178.02 3cas h GLU 278 N -0.33 0.02 -0.47 1.25 3.07 -2.00 -2.88 114.58 113.24 3cas h GLU 278 Ca 0.14 -0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.94 3cas h GLU 278 Cb 0.58 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.46 3cas h GLU 278 CO -0.54 0.01 0.07 0.00 -1.40 0.00 0.00 179.01 177.15 3cas h ARG 279 N 0.02 0.73 -0.89 2.33 -0.00 -1.91 -0.71 114.38 113.95 3cas h ARG 279 Ca 0.01 -0.16 0.00 0.00 -0.50 0.00 0.00 59.98 59.33 3cas h ARG 279 Cb 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 29.97 29.82 3cas h ARG 279 CO -0.00 0.70 0.57 0.82 0.00 0.00 0.00 179.97 182.05 3cas h ILE 280 N 0.70 1.24 -0.12 2.04 2.04 -0.69 -0.70 117.51 122.03 3cas h ILE 280 Ca 0.15 -0.48 -0.12 0.00 1.00 0.00 0.00 64.86 65.42 3cas h ILE 280 Cb 0.33 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3cas h ILE 280 CO 0.01 0.24 -0.38 0.50 0.00 0.00 0.00 178.15 178.52 3cas h LYS 281 N 1.22 0.46 -0.31 2.37 3.64 -1.25 -3.27 116.57 119.43 3cas h LYS 281 Ca 0.32 -0.34 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3cas h LYS 281 Cb -0.10 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 3cas h LYS 281 CO -0.07 0.96 0.09 1.49 -2.27 0.00 0.00 179.45 179.66 3cas h GLU 282 N 0.05 0.21 0.00 1.90 4.81 -0.72 -2.41 114.58 118.42 3cas h GLU 282 Ca -0.01 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3cas h GLU 282 Cb 1.00 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 3cas h GLU 282 CO 0.08 0.14 -0.00 -0.91 -0.73 0.00 0.00 179.01 177.59 3cas h ASN 283 N 0.22 0.00 0.81 1.04 2.35 -1.21 -2.12 115.58 116.67 3cas h ASN 283 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3cas h ASN 283 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 3cas h ASN 283 CO -0.16 0.00 -0.67 0.33 -1.65 0.00 0.00 177.43 175.28 3cas n PHE 284 N -3.18 0.52 -1.72 1.19 7.35 -0.92 -4.53 117.46 116.17 3cas n PHE 284 Ca -0.03 0.15 -0.41 0.00 -0.76 0.00 0.00 57.45 56.41 3cas n PHE 284 Cb 0.09 -0.63 -0.01 0.00 0.35 0.00 0.00 39.48 39.28 3cas n PHE 284 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3cas n GLN 285 N -2.09 3.51 -0.61 -4.13 1.13 -0.80 -4.44 117.38 109.96 3cas n GLN 285 Ca 0.03 -2.74 0.06 0.00 -1.94 0.00 0.00 57.00 52.41 3cas n GLN 285 Cb 0.44 -2.97 0.11 0.00 0.11 0.00 0.00 30.24 27.93 3cas n GLN 285 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 3cas n ILE 286 N 3.82 1.26 0.12 5.09 -5.35 -1.26 -4.70 119.36 118.34 3cas n ILE 286 Ca 0.61 -1.90 0.01 0.00 -0.27 0.00 0.00 62.75 61.20 3cas n ILE 286 Cb 0.31 0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 3cas n ILE 286 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3cas n PHE 287 N -0.68 0.00 -0.26 4.28 3.72 -1.26 -4.61 117.46 118.65 3cas n PHE 287 Ca 0.12 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.61 3cas n PHE 287 Cb 0.77 0.00 0.31 0.00 -0.94 0.00 0.00 39.48 39.62 3cas n PHE 287 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3cas n ASP 288 N -0.22 4.00 -3.76 4.37 5.75 -1.26 -4.86 116.55 120.57 3cas n ASP 288 Ca 0.01 -2.23 -0.06 0.00 -0.01 0.00 0.00 54.79 52.50 3cas n ASP 288 Cb 0.06 -0.50 -0.01 0.00 -1.03 0.00 0.00 41.12 39.64 3cas n ASP 288 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3cas s PHE 289 N -1.53 -0.15 0.14 2.11 -0.71 -1.26 -5.19 117.98 111.39 3cas s PHE 289 Ca 0.45 -0.27 -0.08 0.00 -1.04 0.00 0.00 56.93 55.99 3cas s PHE 289 Cb 0.27 0.69 -0.01 0.00 -1.21 0.00 0.00 43.02 42.76 3cas s PHE 289 CO 0.25 -1.11 0.23 -1.54 -1.34 0.00 0.00 175.22 171.72 3cas s SER 290 N -2.95 0.09 -0.11 1.98 1.04 -1.26 -5.02 113.70 107.47 3cas s SER 290 Ca 0.12 -0.85 -0.07 0.00 0.48 0.00 0.00 55.95 55.64 3cas s SER 290 Cb -0.04 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 3cas s SER 290 CO 0.06 -0.83 0.13 -0.76 0.98 0.00 0.00 173.24 172.82 3cas s LEU 291 N -2.95 4.34 1.02 2.42 1.43 -1.26 -5.10 118.68 118.59 3cas s LEU 291 Ca 0.14 0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 53.56 3cas s LEU 291 Cb 0.04 -2.07 0.20 0.00 0.03 0.00 0.00 46.19 44.39 3cas s LEU 291 CO -0.03 0.40 1.10 0.42 0.23 0.00 0.00 176.35 178.48 3cas s THR 292 N -1.03 1.95 0.35 5.49 -4.23 -1.26 -4.78 115.64 112.14 3cas s THR 292 Ca 0.15 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.71 3cas s THR 292 Cb -0.12 -2.53 0.18 0.00 1.34 0.00 0.00 72.50 71.37 3cas s THR 292 CO 0.04 0.00 1.92 -0.08 -0.54 0.00 0.00 174.62 175.96 3cas h GLU 293 N -1.96 0.53 -0.27 3.99 4.57 -1.99 -1.41 114.58 118.04 3cas h GLU 293 Ca -0.53 -0.09 -0.15 0.00 -1.18 0.00 0.00 59.36 57.40 3cas h GLU 293 Cb 1.33 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.83 3cas h GLU 293 CO 0.55 0.51 -0.43 0.93 -1.18 0.00 0.00 179.01 179.39 3cas h GLU 294 N 0.52 0.77 -0.47 1.92 3.07 -1.99 -2.75 114.58 115.64 3cas h GLU 294 Ca 0.12 -0.47 -0.05 0.00 -0.50 0.00 0.00 59.36 58.46 3cas h GLU 294 Cb 0.23 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.17 3cas h GLU 294 CO -0.00 1.09 0.09 0.93 -1.40 0.00 0.00 179.01 179.72 3cas h GLU 295 N 0.51 0.72 -0.42 2.33 5.08 -1.82 0.13 114.58 121.12 3cas h GLU 295 Ca 0.02 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 3cas h GLU 295 Cb 1.03 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 3cas h GLU 295 CO 0.10 0.68 0.01 0.52 -1.00 0.00 0.00 179.01 179.31 3cas h MET 296 N 0.70 0.67 -0.10 2.33 2.86 -1.21 -1.26 114.93 118.92 3cas h MET 296 Ca 0.15 -0.16 -0.21 0.00 -2.06 0.00 0.00 59.70 57.43 3cas h MET 296 Cb 0.30 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.88 3cas h MET 296 CO 0.00 0.68 -0.77 0.87 1.06 0.00 0.00 176.91 178.75 3cas h LYS 297 N 0.63 0.57 -0.47 1.72 1.57 -1.03 -1.90 116.57 117.67 3cas h LYS 297 Ca 0.13 -0.48 -0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3cas h LYS 297 Cb 0.39 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3cas h LYS 297 CO 0.01 1.11 0.28 -0.44 -0.57 0.00 0.00 179.45 179.83 3cas h ASP 298 N 0.39 0.57 -0.51 0.86 3.32 -0.34 -1.61 116.42 119.10 3cas h ASP 298 Ca -0.05 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 56.83 3cas h ASP 298 Cb 1.37 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 3cas h ASP 298 CO 0.14 0.47 -0.10 0.40 -1.72 0.00 0.00 179.24 178.44 3cas h ILE 299 N 0.62 1.27 -0.80 0.35 2.04 -1.25 -2.88 117.51 116.86 3cas h ILE 299 Ca 0.17 -1.24 0.01 0.00 1.00 0.00 0.00 64.86 64.80 3cas h ILE 299 Cb 0.01 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 3cas h ILE 299 CO -0.03 0.43 0.53 -0.33 0.00 0.00 0.00 178.15 178.75 3cas h GLU 300 N 0.83 1.05 0.00 2.37 4.39 -1.09 -1.60 114.58 120.53 3cas h GLU 300 Ca 0.13 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3cas h GLU 300 Cb 0.66 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 3cas h GLU 300 CO 0.05 0.69 0.00 0.00 -1.16 0.00 0.00 179.01 178.59 3cas n ALA 301 N -2.41 1.55 0.86 3.43 0.00 -0.63 -2.27 120.51 121.04 3cas n ALA 301 Ca 0.09 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.61 3cas n ALA 301 Cb 0.03 -1.17 0.54 0.00 0.00 0.00 0.00 19.45 18.85 3cas n ALA 301 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3cas n LEU 302 N -1.42 0.04 -4.68 0.00 4.77 -0.60 -4.87 117.00 110.25 3cas n LEU 302 Ca 0.04 0.51 -0.50 0.00 -0.03 0.00 0.00 56.01 56.02 3cas n LEU 302 Cb 0.11 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 40.65 3cas n LEU 302 CO 0.09 -0.07 1.36 -3.20 -1.33 0.00 0.00 177.39 174.24 3cas n ASN 303 N -1.54 3.08 -0.00 -1.43 5.15 -0.84 -4.50 115.26 115.17 3cas n ASN 303 Ca 0.06 1.02 0.08 0.00 -0.60 0.00 0.00 54.58 55.15 3cas n ASN 303 Cb 0.30 -1.33 -0.12 0.00 -0.53 0.00 0.00 39.78 38.10 3cas n ASN 303 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3cas n LYS 304 N 5.47 0.96 -3.35 1.20 5.02 -0.54 -4.99 118.16 121.92 3cas n LYS 304 Ca 0.22 -0.09 -0.22 0.00 -2.02 0.00 0.00 58.31 56.20 3cas n LYS 304 Cb 0.26 -1.35 0.06 0.00 -0.02 0.00 0.00 35.03 33.98 3cas n LYS 304 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3cas n ASN 305 N -1.78 -6.00 -3.98 4.39 3.02 -1.10 -5.00 115.26 104.81 3cas n ASN 305 Ca -0.00 -0.43 -0.28 0.00 -0.03 0.00 0.00 54.58 53.84 3cas n ASN 305 Cb 0.36 -4.68 -0.17 0.00 -0.61 0.00 0.00 39.78 34.69 3cas n ASN 305 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3cas s VAL 306 N -3.25 1.27 0.22 2.41 1.01 -1.25 -5.09 120.40 115.73 3cas s VAL 306 Ca 0.47 -0.47 -0.20 0.00 0.00 0.00 0.00 61.98 61.78 3cas s VAL 306 Cb -0.21 -1.21 -0.08 0.00 0.00 0.00 0.00 36.38 34.88 3cas s VAL 306 CO 0.58 0.40 0.73 -0.13 0.00 0.00 0.00 175.10 176.68 3cas s ARG 307 N 1.36 4.26 0.18 2.72 0.52 -1.26 -4.60 118.95 122.13 3cas s ARG 307 Ca -0.00 0.88 0.15 0.00 -0.52 0.00 0.00 55.73 56.23 3cas s ARG 307 Cb -0.14 -2.88 -0.04 0.00 0.52 0.00 0.00 34.95 32.41 3cas s ARG 307 CO -0.06 0.39 1.18 0.74 0.02 0.00 0.00 175.30 177.58 3cas h PHE 308 N 3.41 0.00 -3.54 -0.53 0.05 -1.95 -3.42 116.94 110.97 3cas h PHE 308 Ca -0.48 0.00 -0.67 0.00 3.82 0.00 0.00 57.97 60.64 3cas h PHE 308 Cb 1.19 0.00 -0.38 0.00 2.00 0.00 0.00 35.95 38.76 3cas h PHE 308 CO 0.64 0.59 -0.59 0.08 -0.18 0.00 0.00 178.31 178.84 3cas s VAL 309 N -2.92 2.87 -0.15 -0.55 1.01 -1.26 -1.63 120.40 117.77 3cas s VAL 309 Ca 0.01 -2.59 0.22 0.00 0.00 0.00 0.00 61.98 59.62 3cas s VAL 309 Cb 0.08 -2.99 -0.23 0.00 0.00 0.00 0.00 36.38 33.24 3cas s VAL 309 CO 0.78 -0.72 0.68 -0.62 0.00 0.00 0.00 175.10 175.23 3cas n GLU 310 N 3.96 0.60 -4.02 2.72 1.02 -1.26 -4.99 120.64 118.67 3cas n GLU 310 Ca 0.03 -0.09 -0.33 0.00 -0.02 0.00 0.00 57.16 56.75 3cas n GLU 310 Cb 0.39 -1.61 -0.00 0.00 -0.02 0.00 0.00 31.44 30.20 3cas n GLU 310 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3cas n LEU 311 N -2.34 -2.05 0.29 -4.62 4.77 -1.26 -4.82 117.00 106.96 3cas n LEU 311 Ca -0.02 -0.86 0.17 0.00 -0.03 0.00 0.00 56.01 55.27 3cas n LEU 311 Cb 0.55 -2.29 0.86 0.00 -2.33 0.00 0.00 43.42 40.21 3cas n LEU 311 CO 0.44 0.36 1.15 -0.07 -1.33 0.00 0.00 177.39 177.93 3cas h LEU 312 N -1.71 0.00 -0.86 2.23 3.38 -1.94 -1.46 115.31 114.95 3cas h LEU 312 Ca -0.57 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3cas h LEU 312 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 3cas h LEU 312 CO 0.72 0.00 0.00 1.15 0.09 0.00 0.00 178.44 180.40 3cas n MET 313 N -3.14 0.17 -0.18 1.13 0.00 -1.26 -2.37 117.12 111.47 3cas n MET 313 Ca -0.00 0.48 0.09 0.00 0.00 0.00 0.00 57.70 58.26 3cas n MET 313 Cb 0.37 -1.88 0.16 0.00 0.00 0.00 0.00 33.22 31.87 3cas n MET 313 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 3cas n TRP 314 N -2.21 0.10 0.32 3.17 8.01 -0.55 -4.77 117.44 121.50 3cas n TRP 314 Ca 0.01 -1.07 0.20 0.00 -1.31 0.00 0.00 57.50 55.34 3cas n TRP 314 Cb 0.17 -0.18 1.09 0.00 -2.01 0.00 0.00 31.31 30.38 3cas n TRP 314 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.69 176.75 3cas h ARG 315 N 0.30 0.00 -0.43 -0.99 0.11 -1.58 -1.86 114.38 109.92 3cas h ARG 315 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3cas h ARG 315 Cb 1.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.13 3cas h ARG 315 CO 0.03 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 179.70 3cas n ASP 316 N -3.28 3.02 -4.72 0.08 5.75 -1.26 -4.84 116.55 111.30 3cas n ASP 316 Ca -0.03 -1.94 -0.42 0.00 -0.01 0.00 0.00 54.79 52.39 3cas n ASP 316 Cb 0.12 -0.28 -0.03 0.00 -1.03 0.00 0.00 41.12 39.89 3cas n ASP 316 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3cas s HIS 317 N -1.43 3.54 0.49 2.11 2.46 -0.70 -4.90 115.29 116.86 3cas s HIS 317 Ca 0.38 1.48 0.34 0.00 0.47 0.00 0.00 55.06 57.74 3cas s HIS 317 Cb 0.21 -3.31 1.48 0.00 -0.13 0.00 0.00 32.58 30.83 3cas s HIS 317 CO 0.29 -0.78 1.71 -1.35 -2.47 0.00 0.00 174.74 172.13 3cas h PRO 318 N 6.25 0.09 -0.50 2.88 0.11 -1.90 0.27 132.00 139.20 3cas h PRO 318 Ca -0.42 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.61 3cas h PRO 318 Cb 1.21 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 3cas h PRO 318 CO 0.77 0.06 0.07 0.39 -0.21 0.00 0.00 178.00 179.08 3cas n GLU 319 N -4.34 3.74 -1.67 1.05 -0.58 -1.26 -4.97 120.64 112.60 3cas n GLU 319 Ca 0.32 -3.05 -0.48 0.00 -0.42 0.00 0.00 57.16 53.54 3cas n GLU 319 Cb 1.38 -2.09 -0.05 0.00 -0.57 0.00 0.00 31.44 30.12 3cas n GLU 319 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 3cas n TYR 320 N -0.08 2.24 0.21 -0.32 9.36 0.95 -4.51 117.16 125.01 3cas n TYR 320 Ca 0.30 0.21 0.11 0.00 3.32 0.00 0.00 57.90 61.83 3cas n TYR 320 Cb 1.14 -2.57 0.16 0.00 -0.63 0.00 0.00 39.34 37.45 3cas n TYR 320 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3cas h PRO 321 N 7.01 0.00 -0.62 2.98 0.13 -1.90 -3.38 132.00 136.22 3cas h PRO 321 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3cas h PRO 321 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3cas h PRO 321 CO 0.90 0.09 0.00 1.19 -0.23 0.00 0.00 178.00 179.95 3cas n PHE 322 N -3.12 1.10 0.13 1.56 3.72 -1.26 -4.19 117.46 115.40 3cas n PHE 322 Ca 0.04 -0.43 -0.24 0.00 -0.05 0.00 0.00 57.45 56.76 3cas n PHE 322 Cb 0.56 -0.22 -0.16 0.00 -0.94 0.00 0.00 39.48 38.72 3cas n PHE 322 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3cas h HIS 323 N 2.85 0.92 -4.18 1.38 3.86 -1.98 -3.46 115.15 114.54 3cas h HIS 323 Ca 0.00 -0.67 -0.51 0.00 -1.16 0.00 0.00 60.37 58.03 3cas h HIS 323 Cb 1.15 -0.04 0.10 0.00 1.06 0.00 0.00 27.41 29.68 3cas h HIS 323 CO 0.57 1.55 0.39 -0.51 0.86 0.00 0.00 177.93 180.79 3cas s ASP 324 N -7.50 5.22 0.31 2.45 1.01 -1.26 -4.92 116.67 111.98 3cas s ASP 324 Ca -0.10 2.04 0.05 0.00 0.71 0.00 0.00 52.55 55.25 3cas s ASP 324 Cb 0.04 -2.56 0.71 0.00 1.01 0.00 0.00 42.92 42.12 3cas s ASP 324 CO 0.93 -1.56 1.81 -0.08 0.21 0.00 0.00 175.17 176.48 3cas h GLU 325 N 0.25 0.79 0.00 8.23 4.81 -1.93 -3.51 114.58 123.21 3cas h GLU 325 Ca -0.47 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3cas h GLU 325 Cb 1.25 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3cas h GLU 325 CO 0.55 0.52 0.00 2.48 -0.73 0.00 0.00 179.01 181.83