#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cas n LEU 3 N 0.00 3.20 -3.97 -2.67 4.77 -1.26 -4.89 117.00 112.18 3cas n LEU 3 Ca 0.00 1.08 -0.10 0.00 -0.03 0.00 0.00 56.01 56.97 3cas n LEU 3 Cb 0.00 -1.44 -0.07 0.00 -2.33 0.00 0.00 43.42 39.58 3cas n LEU 3 CO 0.00 -0.24 0.00 -0.94 -1.33 0.00 0.00 177.39 174.88 3cas s SER 4 N 0.90 0.02 0.43 -1.43 1.04 -0.85 -4.97 113.70 108.84 3cas s SER 4 Ca 0.78 -0.89 0.10 0.00 0.48 0.00 0.00 55.95 56.42 3cas s SER 4 Cb -0.66 0.46 0.96 0.00 0.10 0.00 0.00 66.02 66.88 3cas s SER 4 CO 0.38 -0.93 2.06 0.00 0.98 0.00 0.00 173.24 175.73 3cas h ALA 5 N 2.50 1.83 0.00 5.32 0.00 -1.94 -2.66 119.26 124.30 3cas h ALA 5 Ca -0.31 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.35 3cas h ALA 5 Cb 1.23 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 3cas h ALA 5 CO 0.46 0.13 -1.21 0.00 0.00 0.00 0.00 179.25 178.63 3cas h ALA 6 N 1.77 0.50 -2.85 0.00 0.00 -1.96 -3.44 119.26 113.29 3cas h ALA 6 Ca 0.15 -1.07 -0.55 0.00 0.00 0.00 0.00 54.91 53.44 3cas h ALA 6 Cb 0.08 0.06 -0.40 0.00 0.00 0.00 0.00 17.79 17.53 3cas h ALA 6 CO -0.04 1.33 -0.78 0.45 0.00 0.00 0.00 179.25 180.21 3cas s SER 7 N -6.49 3.57 -0.22 0.00 0.15 -1.00 -5.00 113.70 104.71 3cas s SER 7 Ca -0.01 -1.58 0.23 0.00 0.70 0.00 0.00 55.95 55.29 3cas s SER 7 Cb 0.09 -0.51 0.50 0.00 -1.71 0.00 0.00 66.02 64.39 3cas s SER 7 CO 0.82 -0.40 1.12 0.00 1.20 0.00 0.00 173.24 175.98 3cas n HIS 8 N 4.88 1.15 -3.54 3.44 -0.00 -1.23 -2.02 115.22 117.91 3cas n HIS 8 Ca -0.01 -1.91 -0.38 0.00 -0.00 0.00 0.00 57.72 55.42 3cas n HIS 8 Cb 0.41 -0.22 -0.06 0.00 -0.00 0.00 0.00 29.99 30.11 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 -3.26 3.96 0.18 -1.40 0.52 -1.26 -0.84 118.95 116.85 3cas s ARG 9 Ca 0.29 0.29 0.08 0.00 -0.52 0.00 0.00 55.73 55.88 3cas s ARG 9 Cb 0.33 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.49 3cas s ARG 9 CO -0.05 0.57 -0.06 0.96 0.02 0.00 0.00 175.30 176.73 3cas s ILE 10 N -0.61 3.41 0.40 1.52 -4.36 -0.48 -4.86 121.20 116.21 3cas s ILE 10 Ca 0.22 -1.57 -0.25 0.00 -0.26 0.00 0.00 60.65 58.79 3cas s ILE 10 Cb -0.15 -2.70 -0.08 0.00 1.25 0.00 0.00 42.46 40.77 3cas s ILE 10 CO 0.10 -0.11 1.15 -2.16 0.24 0.00 0.00 174.94 174.16 3cas s PRO 11 N -2.89 4.05 0.18 0.37 0.04 -1.26 -1.04 135.00 134.46 3cas s PRO 11 Ca 0.26 1.79 0.07 0.00 0.04 0.00 0.00 61.00 63.16 3cas s PRO 11 Cb -0.09 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 3cas s PRO 11 CO 0.17 -0.31 0.04 -0.51 0.04 0.00 0.00 177.00 176.43 3cas s LEU 12 N -2.54 3.44 0.57 -3.56 1.43 -0.22 -4.88 118.68 112.92 3cas s LEU 12 Ca 0.57 -0.34 0.37 0.00 -1.03 0.00 0.00 54.13 53.71 3cas s LEU 12 Cb -0.29 -2.07 1.81 0.00 0.03 0.00 0.00 46.19 45.66 3cas s LEU 12 CO 0.37 0.08 2.12 0.77 0.23 0.00 0.00 176.35 179.92 3cas h SER 13 N 2.57 0.00 -0.09 2.29 4.64 -1.85 -2.59 113.55 118.52 3cas h SER 13 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3cas h SER 13 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3cas h SER 13 CO 0.59 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.65 3cas n ASP 14 N -2.99 1.10 0.00 4.97 5.68 -1.26 -4.90 116.55 119.15 3cas n ASP 14 Ca -0.01 -1.56 0.00 0.00 -0.50 0.00 0.00 54.79 52.72 3cas n ASP 14 Cb 0.18 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 3cas n ASP 14 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3cas n GLY 15 N 1.04 0.15 3.74 6.12 0.00 -0.97 -5.08 105.19 110.18 3cas n GLY 15 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 1.18 -4.10 1.61 3.02 -1.26 -4.88 115.26 110.83 3cas n ASN 16 Ca 0.00 -2.03 -0.08 0.00 -0.03 0.00 0.00 54.58 52.43 3cas n ASN 16 Cb 0.00 -0.66 -0.10 0.00 -0.61 0.00 0.00 39.78 38.41 3cas n ASN 16 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3cas s SER 17 N -5.00 0.66 -0.03 6.41 1.04 -1.26 -1.06 113.70 114.45 3cas s SER 17 Ca 0.65 -0.94 0.01 0.00 0.48 0.00 0.00 55.95 56.15 3cas s SER 17 Cb -0.03 0.16 0.02 0.00 0.10 0.00 0.00 66.02 66.26 3cas s SER 17 CO 0.43 -0.52 -0.04 -0.51 0.98 0.00 0.00 173.24 173.58 3cas s ILE 18 N -3.53 0.46 0.15 -1.02 2.07 -0.20 -4.93 121.20 114.20 3cas s ILE 18 Ca 0.06 -0.11 -0.31 0.00 -1.41 0.00 0.00 60.65 58.87 3cas s ILE 18 Cb 0.05 -0.48 -0.11 0.00 0.13 0.00 0.00 42.46 42.05 3cas s ILE 18 CO -0.07 0.19 1.78 -2.84 -1.91 0.00 0.00 174.94 172.09 3cas s PRO 19 N 0.73 4.14 0.30 3.50 0.02 -1.26 -1.39 135.00 141.04 3cas s PRO 19 Ca -0.09 2.57 0.20 0.00 0.02 0.00 0.00 61.00 63.70 3cas s PRO 19 Cb -0.12 -3.43 1.07 0.00 0.02 0.00 0.00 34.50 32.04 3cas s PRO 19 CO -0.00 -0.80 1.59 1.51 -0.33 0.00 0.00 177.00 178.97 3cas n ILE 20 N 4.49 1.07 -4.28 2.83 3.06 -0.02 -4.49 119.36 122.02 3cas n ILE 20 Ca 0.17 0.72 -0.17 0.00 -2.50 0.00 0.00 62.75 60.97 3cas n ILE 20 Cb 0.37 -1.72 -0.14 0.00 0.54 0.00 0.00 39.64 38.69 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 -3.50 0.64 0.23 9.51 2.07 -1.26 -1.48 121.20 127.41 3cas s ILE 21 Ca -0.02 -0.45 -0.01 0.00 -1.41 0.00 0.00 60.65 58.76 3cas s ILE 21 Cb 0.06 -0.55 -0.03 0.00 0.13 0.00 0.00 42.46 42.06 3cas s ILE 21 CO 0.18 0.11 0.20 -0.83 -1.91 0.00 0.00 174.94 172.69 3cas s GLY 22 N -0.38 1.44 -0.24 1.50 0.00 -0.11 -4.22 107.32 105.31 3cas s GLY 22 Ca 0.02 -1.64 -0.10 0.00 0.00 0.00 0.00 44.72 43.00 3cas s GLY 22 CO -0.00 -1.30 0.14 -2.27 0.00 0.00 0.00 173.10 169.66 3cas s LEU 23 N -3.17 3.97 0.51 0.66 2.96 0.31 -3.33 118.68 120.60 3cas s LEU 23 Ca 0.37 0.05 -0.17 0.00 -0.22 0.00 0.00 54.13 54.17 3cas s LEU 23 Cb 0.05 -2.06 -0.08 0.00 0.50 0.00 0.00 46.19 44.60 3cas s LEU 23 CO 0.14 0.06 0.98 -0.83 -1.32 0.00 0.00 176.35 175.38 3cas s GLY 24 N 1.09 2.07 -0.03 7.98 0.00 -0.65 -0.91 107.32 116.87 3cas s GLY 24 Ca 0.07 0.18 0.05 0.00 0.00 0.00 0.00 44.72 45.02 3cas s GLY 24 CO 0.04 0.46 0.92 -1.30 0.00 0.00 0.00 173.10 173.22 3cas n THR 25 N -1.56 0.73 -2.66 0.90 -2.24 -0.94 -4.32 114.28 104.18 3cas n THR 25 Ca 0.07 -0.83 -0.42 0.00 -2.27 0.00 0.00 64.05 60.60 3cas n THR 25 Cb 0.54 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 69.16 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 -0.98 3.65 -0.16 4.78 5.04 -1.26 -4.98 117.35 123.44 3cas s TYR 26 Ca 0.08 1.66 -0.09 0.00 -2.44 0.00 0.00 57.07 56.28 3cas s TYR 26 Cb 0.07 -3.16 0.06 0.00 0.35 0.00 0.00 41.96 39.28 3cas s TYR 26 CO 0.01 -0.19 0.39 0.45 -1.34 0.00 0.00 175.55 174.87 3cas s SER 27 N 0.75 -0.49 -0.43 4.32 0.15 -1.26 -4.99 113.70 111.75 3cas s SER 27 Ca 0.52 0.85 -0.40 0.00 0.70 0.00 0.00 55.95 57.61 3cas s SER 27 Cb -0.23 0.73 -0.16 0.00 -1.71 0.00 0.00 66.02 64.65 3cas s SER 27 CO 0.29 -0.19 2.14 1.21 1.20 0.00 0.00 173.24 177.89 3cas n GLU 28 N 4.26 0.50 -0.21 5.44 2.13 -1.26 -4.81 120.64 126.69 3cas n GLU 28 Ca -0.24 0.14 -0.02 0.00 0.66 0.00 0.00 57.16 57.71 3cas n GLU 28 Cb 0.55 -1.93 0.05 0.00 0.27 0.00 0.00 31.44 30.37 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 10.34 -0.05 -0.32 5.31 0.11 -1.92 -1.87 132.00 143.60 3cas h PRO 29 Ca -0.19 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.99 3cas h PRO 29 Cb 1.37 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.42 3cas h PRO 29 CO 1.05 -0.03 -0.19 -0.22 -0.21 0.00 0.00 178.00 178.40 3cas h LYS 30 N -0.05 -0.15 -0.64 1.05 3.64 -2.00 -3.12 116.57 115.29 3cas h LYS 30 Ca 0.29 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 3cas h LYS 30 Cb 0.49 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3cas h LYS 30 CO -0.66 -0.10 0.00 -1.13 -2.27 0.00 0.00 179.45 175.29 3cas n SER 31 N -5.36 4.28 -4.54 4.20 3.41 -1.04 -4.93 113.62 109.64 3cas n SER 31 Ca 0.01 -2.26 -0.36 0.00 -0.26 0.00 0.00 58.87 56.00 3cas n SER 31 Cb 0.27 -0.51 -0.11 0.00 -0.26 0.00 0.00 64.21 63.59 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 -1.49 4.65 0.48 6.66 2.01 -0.73 -5.02 115.64 122.19 3cas s THR 32 Ca 0.48 -0.07 -0.24 0.00 0.31 0.00 0.00 61.69 62.17 3cas s THR 32 Cb 0.28 -3.15 -0.07 0.00 0.01 0.00 0.00 72.50 69.57 3cas s THR 32 CO 0.27 0.37 1.37 -2.16 -0.69 0.00 0.00 174.62 173.77 3cas s PRO 33 N 1.18 3.52 0.36 4.92 0.04 -1.26 -4.93 135.00 138.82 3cas s PRO 33 Ca 0.05 2.27 -0.28 0.00 0.04 0.00 0.00 61.00 63.08 3cas s PRO 33 Cb -0.14 -2.50 -0.11 0.00 0.04 0.00 0.00 34.50 31.79 3cas s PRO 33 CO 0.04 -0.90 1.40 0.15 0.04 0.00 0.00 177.00 177.73 3cas s LYS 34 N -2.61 4.20 0.00 4.56 -0.14 -1.26 -2.41 119.74 122.08 3cas s LYS 34 Ca 0.65 2.40 0.00 0.00 -1.36 0.00 0.00 55.97 57.66 3cas s LYS 34 Cb -0.41 -3.00 0.00 0.00 -1.68 0.00 0.00 37.83 32.74 3cas s LYS 34 CO 0.51 -0.39 0.00 0.41 -0.76 0.00 0.00 175.35 175.12 3cas n GLY 35 N 0.61 2.61 0.27 -3.33 0.00 -1.26 -4.91 105.19 99.18 3cas n GLY 35 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 0.90 0.06 4.61 0.00 -1.86 -0.86 119.26 122.12 3cas h ALA 36 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3cas h ALA 36 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3cas h ALA 36 CO 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 179.25 179.41 3cas h ALA 38 N 0.70 0.16 -0.73 0.00 0.00 -1.69 -0.78 119.26 116.93 3cas h ALA 38 Ca -0.01 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3cas h ALA 38 Cb 0.20 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3cas h ALA 38 CO 0.01 -0.46 0.45 1.15 0.00 0.00 0.00 179.25 180.40 3cas h THR 39 N 0.02 1.08 -0.57 0.00 2.02 -1.07 -1.94 112.91 112.44 3cas h THR 39 Ca 0.11 -0.30 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 3cas h THR 39 Cb 0.16 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 3cas h THR 39 CO -0.22 0.16 0.14 0.28 0.37 0.00 0.00 175.52 176.25 3cas h SER 40 N 0.87 0.86 -0.72 4.18 0.02 -0.68 -1.47 113.55 116.62 3cas h SER 40 Ca 0.30 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 3cas h SER 40 Cb 0.06 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 3cas h SER 40 CO -0.13 0.87 0.30 0.58 -1.14 0.00 0.00 176.83 177.31 3cas h VAL 41 N 0.82 1.25 -0.41 2.27 2.07 -0.80 0.63 116.25 122.07 3cas h VAL 41 Ca 0.18 -0.77 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 3cas h VAL 41 Cb 0.34 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3cas h VAL 41 CO 0.00 0.31 -0.02 0.11 0.02 0.00 0.00 177.57 178.00 3cas h LYS 42 N 1.06 0.74 -0.50 1.57 1.57 -1.10 -1.52 116.57 118.39 3cas h LYS 42 Ca 0.25 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 3cas h LYS 42 Cb 0.19 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3cas h LYS 42 CO -0.02 0.83 0.08 0.28 -0.57 0.00 0.00 179.45 180.05 3cas h VAL 43 N 0.57 1.23 -0.64 0.50 2.07 -0.87 -1.50 116.25 117.61 3cas h VAL 43 Ca 0.11 -0.87 -0.07 0.00 0.82 0.00 0.00 66.70 66.70 3cas h VAL 43 Cb 0.51 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3cas h VAL 43 CO 0.02 0.31 0.14 0.00 0.02 0.00 0.00 177.57 178.07 3cas h ALA 44 N 1.33 0.85 -0.43 1.67 0.00 -0.62 -0.51 119.26 121.54 3cas h ALA 44 Ca 0.16 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 3cas h ALA 44 Cb 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3cas h ALA 44 CO 0.01 0.58 -0.29 0.82 0.00 0.00 0.00 179.25 180.36 3cas h ILE 45 N 0.96 1.27 -0.38 0.00 2.04 -0.98 0.77 117.51 121.19 3cas h ILE 45 Ca 0.20 -1.46 -0.04 0.00 1.00 0.00 0.00 64.86 64.55 3cas h ILE 45 Cb 0.39 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3cas h ILE 45 CO 0.01 0.50 0.05 0.44 0.00 0.00 0.00 178.15 179.14 3cas h ASP 46 N 0.80 0.53 0.27 1.72 3.32 -1.08 -2.68 116.42 119.30 3cas h ASP 46 Ca 0.09 -0.09 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 3cas h ASP 46 Cb 0.88 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 3cas h ASP 46 CO 0.08 0.56 -0.48 0.74 -1.72 0.00 0.00 179.24 178.42 3cas h THR 47 N 0.55 1.34 0.00 0.35 2.02 -0.84 -3.47 112.91 112.86 3cas h THR 47 Ca 0.12 -1.69 0.00 0.00 0.77 0.00 0.00 66.41 65.62 3cas h THR 47 Cb 0.28 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 3cas h THR 47 CO 0.00 0.50 0.00 0.61 0.37 0.00 0.00 175.52 177.01 3cas n GLY 48 N -0.02 0.56 3.77 2.16 0.00 -0.81 -5.09 105.19 105.76 3cas n GLY 48 Ca -0.02 0.00 -0.39 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 -0.22 2.73 -0.01 1.61 1.51 0.20 -4.92 117.35 118.24 3cas s TYR 49 Ca 0.00 1.40 0.01 0.00 -1.01 0.00 0.00 57.07 57.47 3cas s TYR 49 Cb 0.00 -3.68 0.02 0.00 -0.11 0.00 0.00 41.96 38.19 3cas s TYR 49 CO 0.00 -2.21 0.76 0.54 -1.11 0.00 0.00 175.55 173.53 3cas n ARG 50 N -0.09 1.18 -4.15 -0.62 5.12 -1.26 -4.26 116.66 112.57 3cas n ARG 50 Ca 0.05 -1.03 -0.20 0.00 -1.93 0.00 0.00 57.85 54.73 3cas n ARG 50 Cb 0.44 -0.74 -0.16 0.00 -1.16 0.00 0.00 32.46 30.83 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 -0.54 0.78 -0.07 -1.55 2.46 -1.26 -0.84 115.29 114.26 3cas s HIS 51 Ca 0.02 -0.22 0.02 0.00 0.47 0.00 0.00 55.06 55.35 3cas s HIS 51 Cb 0.02 -0.69 0.01 0.00 -0.13 0.00 0.00 32.58 31.79 3cas s HIS 51 CO 0.00 -0.20 -0.12 0.42 -2.47 0.00 0.00 174.74 172.37 3cas s ILE 52 N 0.97 1.15 -0.22 0.89 -1.09 -0.42 -0.53 121.20 121.95 3cas s ILE 52 Ca -0.10 -0.48 -0.06 0.00 -2.23 0.00 0.00 60.65 57.78 3cas s ILE 52 Cb -0.14 -1.06 -0.02 0.00 -1.58 0.00 0.00 42.46 39.66 3cas s ILE 52 CO -0.00 0.36 0.02 -0.62 -1.23 0.00 0.00 174.94 173.47 3cas s ASP 53 N 0.72 4.82 0.22 3.58 -1.08 -0.09 -2.14 116.67 122.71 3cas s ASP 53 Ca -0.14 -0.25 0.04 0.00 -0.52 0.00 0.00 52.55 51.69 3cas s ASP 53 Cb -0.16 -1.84 -0.02 0.00 -1.46 0.00 0.00 42.92 39.44 3cas s ASP 53 CO 0.03 0.01 0.16 0.61 0.52 0.00 0.00 175.17 176.50 3cas n GLY 54 N 4.62 3.37 3.62 2.66 0.00 -0.57 -2.23 105.19 116.66 3cas n GLY 54 Ca -0.17 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.82 -1.83 0.34 4.61 0.00 -1.26 -3.99 121.76 116.81 3cas s ALA 55 Ca 0.23 1.91 0.05 0.00 0.00 0.00 0.00 51.96 54.14 3cas s ALA 55 Cb 0.01 -1.10 0.69 0.00 0.00 0.00 0.00 23.12 22.72 3cas s ALA 55 CO 0.16 -0.32 1.93 -0.92 0.00 0.00 0.00 175.76 176.62 3cas h TYR 56 N 4.54 0.85 0.00 0.00 5.03 -1.98 -1.07 116.97 124.35 3cas h TYR 56 Ca -0.28 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.05 3cas h TYR 56 Cb 1.16 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 39.16 3cas h TYR 56 CO 0.37 0.43 0.00 0.44 -1.32 0.00 0.00 178.16 178.08 3cas n ILE 57 N -4.49 0.34 1.21 1.81 -5.35 -1.26 -1.86 119.36 109.76 3cas n ILE 57 Ca 0.12 0.09 0.14 0.00 -0.27 0.00 0.00 62.75 62.82 3cas n ILE 57 Cb 0.25 -0.77 0.67 0.00 -1.74 0.00 0.00 39.64 38.05 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 -1.23 0.00 -1.09 4.28 0.53 -0.41 -4.89 117.16 114.35 3cas n TYR 58 Ca 0.10 0.00 -0.03 0.00 -1.02 0.00 0.00 57.90 56.95 3cas n TYR 58 Cb 0.14 -0.35 -0.01 0.00 -1.03 0.00 0.00 39.34 38.08 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 -1.35 -1.41 -0.12 -0.72 6.02 -0.78 -4.79 117.38 114.23 3cas n GLN 59 Ca 0.11 0.50 0.03 0.00 -0.01 0.00 0.00 57.00 57.63 3cas n GLN 59 Cb 0.25 -4.63 0.04 0.00 1.02 0.00 0.00 30.24 26.92 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 -0.70 1.21 -0.02 1.08 0.23 -1.26 -4.81 115.26 110.99 3cas n ASN 60 Ca -0.03 -2.04 0.17 0.00 -0.53 0.00 0.00 54.58 52.15 3cas n ASN 60 Cb 0.40 -0.15 0.62 0.00 -2.08 0.00 0.00 39.78 38.56 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 0.15 -0.21 -3.83 4.81 -1.84 0.74 114.58 114.40 3cas h GLU 61 Ca 0.00 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 3cas h GLU 61 Cb 0.93 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 3cas h GLU 61 CO 0.00 0.10 -0.17 1.12 -0.73 0.00 0.00 179.01 179.33 3cas h HIS 62 N 0.15 0.39 -0.29 0.92 2.07 -1.87 -2.00 115.15 114.53 3cas h HIS 62 Ca 0.26 -0.06 -0.14 0.00 -2.85 0.00 0.00 60.37 57.58 3cas h HIS 62 Cb 0.80 -0.10 -0.01 0.00 2.57 0.00 0.00 27.41 30.67 3cas h HIS 62 CO -0.00 0.52 -0.39 0.93 -3.07 0.00 0.00 177.93 175.92 3cas h GLU 63 N 0.33 0.68 0.16 5.12 5.08 -1.21 -1.66 114.58 123.07 3cas h GLU 63 Ca 0.06 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 3cas h GLU 63 Cb 0.50 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3cas h GLU 63 CO 0.03 0.95 -0.08 0.28 -1.00 0.00 0.00 179.01 179.20 3cas h VAL 64 N 0.56 0.89 -0.96 3.13 2.07 -1.07 -1.53 116.25 119.34 3cas h VAL 64 Ca 0.05 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.43 3cas h VAL 64 Cb 0.92 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.63 3cas h VAL 64 CO 0.08 0.04 0.62 1.23 0.02 0.00 0.00 177.57 179.57 3cas h GLY 65 N -0.30 1.40 0.40 2.17 0.00 -1.33 -0.60 103.07 104.80 3cas h GLY 65 Ca -0.02 -0.46 0.04 0.00 0.00 0.00 0.00 47.33 46.88 3cas h GLY 65 CO 0.04 0.38 -0.21 -2.09 0.00 0.00 0.00 176.54 174.65 3cas h GLU 66 N 1.17 -0.28 -0.21 4.80 4.81 -0.99 -0.59 114.58 123.30 3cas h GLU 66 Ca 0.39 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.62 3cas h GLU 66 Cb 0.07 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3cas h GLU 66 CO -0.13 -0.19 0.06 0.00 -0.73 0.00 0.00 179.01 178.03 3cas h ALA 67 N 0.66 0.28 -0.68 2.92 0.00 -0.62 -2.46 119.26 119.36 3cas h ALA 67 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3cas h ALA 67 Cb 0.42 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3cas h ALA 67 CO -0.26 -0.10 0.44 0.82 0.00 0.00 0.00 179.25 180.15 3cas h ILE 68 N 0.17 1.18 -0.19 0.00 2.04 -0.92 -2.42 117.51 117.37 3cas h ILE 68 Ca 0.07 -0.36 -0.12 0.00 1.00 0.00 0.00 64.86 65.45 3cas h ILE 68 Cb 0.24 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3cas h ILE 68 CO -0.00 0.18 -0.38 0.03 0.00 0.00 0.00 178.15 177.98 3cas h ARG 69 N 0.92 0.43 -0.46 2.37 3.08 -1.07 -2.31 114.38 117.34 3cas h ARG 69 Ca 0.25 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 3cas h ARG 69 Cb -0.08 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3cas h ARG 69 CO -0.05 0.75 0.10 1.49 -1.07 0.00 0.00 179.97 181.19 3cas h GLU 70 N 0.36 0.74 -0.10 0.04 4.81 -1.19 0.01 114.58 119.26 3cas h GLU 70 Ca 0.04 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.00 3cas h GLU 70 Cb 0.84 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 3cas h GLU 70 CO 0.07 0.74 -0.29 0.87 -0.73 0.00 0.00 179.01 179.67 3cas h LYS 71 N 0.62 0.18 -0.16 1.92 1.79 -1.31 -1.20 116.57 118.41 3cas h LYS 71 Ca 0.14 -0.06 -0.11 0.00 -2.18 0.00 0.00 60.65 58.44 3cas h LYS 71 Cb 0.34 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 3cas h LYS 71 CO 0.00 0.46 -0.35 0.82 -1.08 0.00 0.00 179.45 179.31 3cas h ILE 72 N 0.16 1.35 -0.46 1.86 2.04 -1.09 -1.14 117.51 120.23 3cas h ILE 72 Ca 0.02 -1.61 -0.02 0.00 1.00 0.00 0.00 64.86 64.26 3cas h ILE 72 Cb 0.60 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 3cas h ILE 72 CO 0.04 0.49 0.22 0.00 0.00 0.00 0.00 178.15 178.90 3cas h ALA 73 N 0.56 1.53 0.00 1.87 0.00 -0.71 -1.74 119.26 120.77 3cas h ALA 73 Ca 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3cas h ALA 73 Cb 0.95 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3cas h ALA 73 CO 0.08 0.38 -0.45 0.93 0.00 0.00 0.00 179.25 180.19 3cas h GLU 74 N 0.64 0.00 0.00 0.00 5.08 -1.18 -3.47 114.58 115.66 3cas h GLU 74 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3cas h GLU 74 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3cas h GLU 74 CO -0.02 0.45 0.00 0.41 -1.00 0.00 0.00 179.01 178.85 3cas n GLY 75 N -0.24 0.89 0.20 -3.84 0.00 -0.65 -4.97 105.19 96.58 3cas n GLY 75 Ca -0.02 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 0.94 0.49 -3.54 1.61 3.11 -1.43 -3.47 116.57 114.28 3cas h LYS 76 Ca 0.00 -0.32 -0.05 0.00 -2.81 0.00 0.00 60.65 57.47 3cas h LYS 76 Cb 0.00 0.04 -0.10 0.00 -1.00 0.00 0.00 32.23 31.17 3cas h LYS 76 CO 0.00 0.93 -0.09 0.14 -2.81 0.00 0.00 179.45 177.62 3cas s VAL 77 N -3.91 0.02 0.26 2.00 -7.23 -1.22 -5.05 120.40 105.28 3cas s VAL 77 Ca -0.07 -1.15 0.08 0.00 -1.81 0.00 0.00 61.98 59.03 3cas s VAL 77 Cb 0.11 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 3cas s VAL 77 CO 0.83 -0.11 0.16 -0.13 -0.31 0.00 0.00 175.10 175.54 3cas s ARG 78 N -3.95 2.77 0.32 4.82 0.52 -1.26 -4.28 118.95 117.90 3cas s ARG 78 Ca 0.16 -1.15 0.07 0.00 -0.52 0.00 0.00 55.73 54.28 3cas s ARG 78 Cb -0.00 -2.47 0.75 0.00 0.52 0.00 0.00 34.95 33.75 3cas s ARG 78 CO 0.03 0.38 1.82 -0.09 0.02 0.00 0.00 175.30 177.45 3cas h ARG 79 N 1.56 0.75 0.00 3.54 9.65 -1.95 0.76 114.38 128.69 3cas h ARG 79 Ca -0.47 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.36 3cas h ARG 79 Cb 1.24 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 29.65 3cas h ARG 79 CO 0.61 0.50 -0.02 1.05 2.80 0.00 0.00 179.97 184.90 3cas h GLU 80 N 0.77 0.00 0.00 0.20 9.09 -2.04 -2.57 114.58 120.03 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 0.78 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.88 3cas h GLU 80 CO -0.29 0.02 -0.04 -0.44 0.05 0.00 0.00 179.01 178.32 3cas h ASP 81 N 0.00 0.00 -2.98 3.06 3.45 -1.23 -3.45 116.42 115.27 3cas h ASP 81 Ca -0.00 -0.01 -0.67 0.00 0.43 0.00 0.00 57.03 56.78 3cas h ASP 81 Cb 0.36 0.00 -0.11 0.00 -0.56 0.00 0.00 39.33 39.03 3cas h ASP 81 CO 0.00 0.01 -0.55 -0.63 -1.57 0.00 0.00 179.24 176.50 3cas s ILE 82 N -3.12 4.92 -0.25 0.35 -1.09 -0.97 -4.82 121.20 116.22 3cas s ILE 82 Ca 0.10 -0.03 0.02 0.00 -2.23 0.00 0.00 60.65 58.51 3cas s ILE 82 Cb 0.11 -3.12 0.06 0.00 -1.58 0.00 0.00 42.46 37.93 3cas s ILE 82 CO 0.62 0.60 -0.11 0.12 -1.23 0.00 0.00 174.94 174.94 3cas s PHE 83 N -0.97 3.02 -0.09 3.97 2.19 -0.02 -4.94 117.98 121.14 3cas s PHE 83 Ca 0.15 -2.13 0.00 0.00 0.33 0.00 0.00 56.93 55.28 3cas s PHE 83 Cb -0.12 -1.85 -0.03 0.00 -1.31 0.00 0.00 43.02 39.72 3cas s PHE 83 CO 0.04 -0.85 -0.07 -0.47 1.83 0.00 0.00 175.22 175.70 3cas s TYR 84 N 1.19 2.94 -0.14 10.12 5.04 -1.26 -1.30 117.35 133.93 3cas s TYR 84 Ca -0.07 -0.08 0.02 0.00 -2.44 0.00 0.00 57.07 54.50 3cas s TYR 84 Cb -0.19 -1.76 0.00 0.00 0.35 0.00 0.00 41.96 40.37 3cas s TYR 84 CO -0.06 0.23 -0.20 0.00 -1.34 0.00 0.00 175.55 174.18 3cas s GLY 86 N 0.71 2.39 0.02 0.00 0.00 0.23 -1.52 107.32 109.16 3cas s GLY 86 Ca -0.09 -2.18 0.02 0.00 0.00 0.00 0.00 44.72 42.47 3cas s GLY 86 CO 0.01 -1.99 -0.06 0.54 0.00 0.00 0.00 173.10 171.60 3cas s LYS 87 N -3.82 0.46 -0.39 2.90 1.02 -1.26 -2.06 119.74 116.61 3cas s LYS 87 Ca 0.38 -0.51 -0.17 0.00 0.02 0.00 0.00 55.97 55.70 3cas s LYS 87 Cb 0.06 -0.31 0.01 0.00 -0.52 0.00 0.00 37.83 37.07 3cas s LYS 87 CO 0.21 0.07 0.44 -1.17 -0.92 0.00 0.00 175.35 173.98 3cas s LEU 88 N -0.96 4.62 0.80 3.17 2.96 0.34 -4.52 118.68 125.09 3cas s LEU 88 Ca -0.05 -0.40 -0.11 0.00 -0.22 0.00 0.00 54.13 53.35 3cas s LEU 88 Cb -0.07 -2.43 0.07 0.00 0.50 0.00 0.00 46.19 44.26 3cas s LEU 88 CO 0.00 -0.50 1.09 0.86 -1.32 0.00 0.00 176.35 176.47 3cas s TRP 89 N 2.19 2.68 0.58 5.38 -0.00 -1.26 -0.53 118.94 127.98 3cas s TRP 89 Ca 0.14 1.34 0.28 0.00 -0.00 0.00 0.00 56.10 57.86 3cas s TRP 89 Cb -0.16 -3.06 1.57 0.00 -0.00 0.00 0.00 33.47 31.81 3cas s TRP 89 CO 0.13 -1.84 2.03 0.00 -0.00 0.00 0.00 176.95 177.27 3cas h ALA 90 N -1.15 1.99 -0.32 5.86 0.00 -1.86 -1.37 119.26 122.40 3cas h ALA 90 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3cas h ALA 90 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3cas h ALA 90 CO 0.55 -0.44 0.00 0.25 0.00 0.00 0.00 179.25 179.61 3cas n THR 91 N -3.86 0.45 -2.24 0.00 -2.24 -1.26 -0.73 114.28 104.41 3cas n THR 91 Ca 0.04 -0.44 0.02 0.00 -2.27 0.00 0.00 64.05 61.40 3cas n THR 91 Cb 0.45 0.20 0.08 0.00 -2.10 0.00 0.00 70.33 68.96 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 0.45 1.61 -0.13 3.42 3.02 -0.52 -4.14 115.26 118.97 3cas n ASN 92 Ca 0.11 -2.72 0.13 0.00 -0.03 0.00 0.00 54.58 52.07 3cas n ASN 92 Cb 0.28 -0.40 0.41 0.00 -0.61 0.00 0.00 39.78 39.47 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 -0.23 0.00 -2.06 3.10 8.25 -1.25 -4.21 115.22 118.82 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 0.95 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.84 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 -2.66 3.53 0.12 1.59 1.01 -1.26 -4.57 120.40 118.15 3cas s VAL 94 Ca 0.21 0.78 -0.18 0.00 0.00 0.00 0.00 61.98 62.80 3cas s VAL 94 Cb 0.19 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 33.08 3cas s VAL 94 CO 0.56 -0.04 1.01 -2.65 0.00 0.00 0.00 175.10 173.97 3cas n PRO 95 N 6.43 -0.25 0.00 2.72 -0.02 -1.26 0.57 135.00 143.19 3cas n PRO 95 Ca 0.16 0.99 0.03 0.00 -2.02 0.00 0.00 63.50 62.66 3cas n PRO 95 Cb 0.43 -1.46 0.14 0.00 -0.02 0.00 0.00 33.50 32.58 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 -4.86 0.07 -0.01 -0.52 0.00 -1.26 -2.08 120.64 111.98 3cas n GLU 96 Ca 0.03 0.27 0.10 0.00 0.00 0.00 0.00 57.16 57.56 3cas n GLU 96 Cb 0.20 -1.50 -0.16 0.00 0.00 0.00 0.00 31.44 29.98 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 -1.33 0.60 0.09 3.44 2.81 0.19 -4.57 117.12 118.35 3cas n MET 97 Ca 0.02 -0.17 -0.13 0.00 -1.81 0.00 0.00 57.70 55.61 3cas n MET 97 Cb 0.05 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.00 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 0.24 -0.72 2.03 2.07 -1.33 -0.85 116.25 117.68 3cas h VAL 98 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3cas h VAL 98 Cb 0.91 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3cas h VAL 98 CO 0.00 0.00 0.29 -0.09 0.02 0.00 0.00 177.57 177.79 3cas h ARG 99 N -0.56 1.08 0.00 1.57 2.43 -1.82 -1.55 114.38 115.54 3cas h ARG 99 Ca 0.04 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 58.96 3cas h ARG 99 Cb 0.61 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3cas h ARG 99 CO -0.25 0.89 -0.27 -1.35 -1.51 0.00 0.00 179.97 177.48 3cas h PRO 100 N 1.04 0.00 -0.27 0.20 0.11 -1.76 -0.04 132.00 131.27 3cas h PRO 100 Ca 0.24 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.24 3cas h PRO 100 Cb 0.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 3cas h PRO 100 CO -0.02 0.27 -0.28 1.15 -0.21 0.00 0.00 178.00 178.91 3cas h THR 101 N 0.00 1.31 -0.50 -1.15 2.02 -0.60 -1.89 112.91 112.10 3cas h THR 101 Ca -0.00 -1.45 -0.13 0.00 0.77 0.00 0.00 66.41 65.60 3cas h THR 101 Cb 0.50 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 3cas h THR 101 CO 0.04 0.46 -0.18 0.25 0.37 0.00 0.00 175.52 176.46 3cas h LEU 102 N 0.39 1.01 -1.34 2.58 5.85 -0.96 -2.86 115.31 119.98 3cas h LEU 102 Ca 0.04 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 3cas h LEU 102 Cb 0.85 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 3cas h LEU 102 CO 0.07 1.16 0.18 -0.33 -0.34 0.00 0.00 178.44 179.19 3cas h GLU 103 N 0.87 0.63 -0.44 1.25 5.08 -0.95 -1.27 114.58 119.76 3cas h GLU 103 Ca 0.12 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3cas h GLU 103 Cb 0.75 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3cas h GLU 103 CO 0.06 0.52 0.18 -0.09 -1.00 0.00 0.00 179.01 178.68 3cas h ARG 104 N 0.63 0.65 -0.60 2.33 2.43 -1.13 -1.32 114.38 117.38 3cas h ARG 104 Ca 0.16 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3cas h ARG 104 Cb 0.12 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 3cas h ARG 104 CO -0.02 0.60 0.23 1.15 -1.51 0.00 0.00 179.97 180.42 3cas h THR 105 N 0.56 1.22 -0.56 0.20 2.02 -1.17 0.61 112.91 115.80 3cas h THR 105 Ca 0.15 -0.69 -0.10 0.00 0.77 0.00 0.00 66.41 66.53 3cas h THR 105 Cb 0.19 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 3cas h THR 105 CO -0.01 0.27 -0.06 -0.07 0.37 0.00 0.00 175.52 176.02 3cas h LEU 106 N 0.86 1.00 -0.71 2.58 3.38 -0.95 -1.03 115.31 120.44 3cas h LEU 106 Ca 0.20 -0.31 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 3cas h LEU 106 Cb 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3cas h LEU 106 CO -0.02 1.08 -0.43 0.03 0.09 0.00 0.00 178.44 179.19 3cas h ARG 107 N 0.91 0.47 -0.21 1.13 3.08 -0.70 0.51 114.38 119.58 3cas h ARG 107 Ca 0.15 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 3cas h ARG 107 Cb 0.61 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 3cas h ARG 107 CO 0.04 0.82 0.01 0.28 -1.07 0.00 0.00 179.97 180.05 3cas h VAL 108 N 0.39 1.25 0.00 2.04 2.07 -0.62 -2.89 116.25 118.48 3cas h VAL 108 Ca 0.03 -0.85 -0.09 0.00 0.82 0.00 0.00 66.70 66.61 3cas h VAL 108 Cb 0.92 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 3cas h VAL 108 CO 0.08 0.26 -0.41 -0.07 0.02 0.00 0.00 177.57 177.45 3cas h LEU 109 N 0.13 0.00 -1.20 2.57 3.38 -1.13 -3.41 115.31 115.65 3cas h LEU 109 Ca 0.06 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.77 3cas h LEU 109 Cb 0.38 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.23 3cas h LEU 109 CO 0.01 0.41 -0.49 0.00 0.09 0.00 0.00 178.44 178.46 3cas n GLN 110 N -3.41 -5.15 -4.30 1.13 6.02 0.17 -4.59 117.38 107.25 3cas n GLN 110 Ca 0.01 0.57 -0.20 0.00 -0.01 0.00 0.00 57.00 57.37 3cas n GLN 110 Cb 0.58 -4.82 -0.11 0.00 1.02 0.00 0.00 30.24 26.91 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 -5.21 2.43 0.37 1.08 1.43 -0.60 -5.03 118.68 113.16 3cas s LEU 111 Ca 0.26 -0.85 0.19 0.00 -1.03 0.00 0.00 54.13 52.70 3cas s LEU 111 Cb -0.12 -0.70 0.65 0.00 0.03 0.00 0.00 46.19 46.05 3cas s LEU 111 CO 0.50 -0.09 1.72 0.44 0.23 0.00 0.00 176.35 179.15 3cas h ASP 112 N 3.33 0.00 -5.05 2.29 3.45 -1.96 -3.43 116.42 115.05 3cas h ASP 112 Ca -0.41 0.00 0.09 0.00 0.43 0.00 0.00 57.03 57.14 3cas h ASP 112 Cb 1.20 0.00 -0.09 0.00 -0.56 0.00 0.00 39.33 39.88 3cas h ASP 112 CO 0.51 0.38 0.35 -0.72 -1.57 0.00 0.00 179.24 178.19 3cas s TYR 113 N -3.57 -0.26 0.16 4.55 -0.85 -1.26 -4.74 117.35 111.38 3cas s TYR 113 Ca 0.00 -0.04 0.10 0.00 -0.52 0.00 0.00 57.07 56.61 3cas s TYR 113 Cb 0.11 0.63 -0.04 0.00 0.38 0.00 0.00 41.96 43.03 3cas s TYR 113 CO 0.69 -0.91 -0.17 0.14 -1.52 0.00 0.00 175.55 173.77 3cas s VAL 114 N -3.55 2.79 0.15 -3.49 -7.23 -0.98 -4.99 120.40 103.10 3cas s VAL 114 Ca 0.08 -1.72 0.05 0.00 -1.81 0.00 0.00 61.98 58.58 3cas s VAL 114 Cb -0.03 -2.33 -0.18 0.00 0.56 0.00 0.00 36.38 34.41 3cas s VAL 114 CO -0.01 -0.03 1.34 0.44 -0.31 0.00 0.00 175.10 176.52 3cas h ASP 115 N 3.31 0.11 -3.60 4.85 5.19 -1.63 -2.02 116.42 122.64 3cas h ASP 115 Ca -0.48 -0.10 -0.19 0.00 -0.62 0.00 0.00 57.03 55.64 3cas h ASP 115 Cb 1.19 -0.04 -0.28 0.00 0.18 0.00 0.00 39.33 40.39 3cas h ASP 115 CO 0.49 0.99 -0.48 -0.22 -3.12 0.00 0.00 179.24 176.90 3cas s LEU 116 N -7.08 0.81 -0.06 1.55 2.96 -0.77 -1.13 118.68 114.97 3cas s LEU 116 Ca -0.01 0.47 0.01 0.00 -0.22 0.00 0.00 54.13 54.39 3cas s LEU 116 Cb 0.10 0.73 0.02 0.00 0.50 0.00 0.00 46.19 47.54 3cas s LEU 116 CO 0.82 -0.12 -0.07 -0.47 -1.32 0.00 0.00 176.35 175.19 3cas s TYR 117 N 0.66 1.03 0.07 5.38 5.04 -0.99 -0.60 117.35 127.95 3cas s TYR 117 Ca -0.04 -0.35 0.04 0.00 -2.44 0.00 0.00 57.07 54.28 3cas s TYR 117 Cb -0.06 -0.84 -0.03 0.00 0.35 0.00 0.00 41.96 41.39 3cas s TYR 117 CO -0.04 -0.24 -0.11 0.96 -1.34 0.00 0.00 175.55 174.78 3cas s ILE 118 N 0.88 0.87 -0.21 3.14 -4.36 -0.87 -2.05 121.20 118.60 3cas s ILE 118 Ca -0.11 -1.33 -0.29 0.00 -0.26 0.00 0.00 60.65 58.66 3cas s ILE 118 Cb -0.15 -1.00 -0.02 0.00 1.25 0.00 0.00 42.46 42.54 3cas s ILE 118 CO 0.01 -0.37 1.43 -0.63 0.24 0.00 0.00 174.94 175.62 3cas s ILE 119 N -1.64 3.97 0.22 8.37 1.01 -0.97 -0.50 121.20 131.66 3cas s ILE 119 Ca -0.03 1.12 -0.08 0.00 0.00 0.00 0.00 60.65 61.67 3cas s ILE 119 Cb -0.08 -3.89 0.17 0.00 0.01 0.00 0.00 42.46 38.67 3cas s ILE 119 CO 0.01 -0.28 1.82 -0.08 0.00 0.00 0.00 174.94 176.40 3cas h GLU 120 N 9.51 0.73 -3.40 2.79 4.81 -1.09 -1.60 114.58 126.33 3cas h GLU 120 Ca -0.30 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 58.76 3cas h GLU 120 Cb 1.13 -0.17 -0.19 0.00 0.63 0.00 0.00 28.75 30.15 3cas h GLU 120 CO 1.00 0.49 -0.39 0.14 -0.73 0.00 0.00 179.01 179.51 3cas s VAL 121 N -6.08 0.09 -1.75 0.32 -7.23 -1.25 -4.44 120.40 100.06 3cas s VAL 121 Ca -0.13 -0.71 0.26 0.00 -1.81 0.00 0.00 61.98 59.60 3cas s VAL 121 Cb 0.17 -0.67 0.63 0.00 0.56 0.00 0.00 36.38 37.06 3cas s VAL 121 CO 0.77 -0.39 1.92 -0.81 -0.31 0.00 0.00 175.10 176.28 3cas n PRO 122 N 1.09 0.63 -3.68 4.82 -0.04 -1.26 -4.77 135.00 131.78 3cas n PRO 122 Ca -0.21 0.02 -0.37 0.00 -0.04 0.00 0.00 63.50 62.90 3cas n PRO 122 Cb 0.57 -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 -2.25 3.75 -0.20 0.54 -1.94 -1.26 -4.84 119.30 113.09 3cas s MET 123 Ca 0.33 0.11 -0.08 0.00 -1.71 0.00 0.00 55.69 54.35 3cas s MET 123 Cb 0.18 -3.24 -0.04 0.00 2.01 0.00 0.00 34.83 33.74 3cas s MET 123 CO 0.35 0.67 0.09 0.00 -0.01 0.00 0.00 175.02 176.11 3cas s ALA 124 N -0.84 3.43 0.36 3.03 0.00 -1.26 -4.44 121.76 122.04 3cas s ALA 124 Ca 0.19 -0.83 0.08 0.00 0.00 0.00 0.00 51.96 51.40 3cas s ALA 124 Cb -0.14 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.92 3cas s ALA 124 CO 0.08 0.01 0.31 -0.06 0.00 0.00 0.00 175.76 176.10 3cas s PHE 125 N 0.68 2.84 0.16 0.00 0.40 0.09 -0.54 117.98 121.61 3cas s PHE 125 Ca 0.04 -0.36 -0.31 0.00 -0.60 0.00 0.00 56.93 55.70 3cas s PHE 125 Cb -0.13 -1.91 -0.11 0.00 0.51 0.00 0.00 43.02 41.38 3cas s PHE 125 CO 0.02 0.09 1.77 0.21 0.70 0.00 0.00 175.22 178.01 3cas s LYS 126 N -4.03 4.13 0.51 0.44 2.20 -0.70 -4.33 119.74 117.97 3cas s LYS 126 Ca 0.43 2.59 -0.23 0.00 -0.36 0.00 0.00 55.97 58.40 3cas s LYS 126 Cb -0.05 -3.36 -0.06 0.00 -1.51 0.00 0.00 37.83 32.85 3cas s LYS 126 CO 0.27 -0.80 1.38 -2.14 -0.36 0.00 0.00 175.35 173.71 3cas s PRO 127 N 2.03 3.36 0.00 4.03 0.02 -1.26 -4.76 135.00 138.41 3cas s PRO 127 Ca 0.78 2.30 0.00 0.00 0.02 0.00 0.00 61.00 64.10 3cas s PRO 127 Cb -0.47 -2.41 0.00 0.00 0.02 0.00 0.00 34.50 31.63 3cas s PRO 127 CO 0.34 -1.04 0.00 0.41 -0.33 0.00 0.00 177.00 176.38 3cas n GLY 128 N 0.67 -1.83 0.19 0.52 0.00 -1.26 -4.99 105.19 98.49 3cas n GLY 128 Ca 0.08 -1.35 -0.20 0.00 0.00 0.00 0.00 46.02 44.55 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 0.88 -2.53 1.61 3.45 -1.96 -3.45 116.42 114.42 3cas h ASP 129 Ca 0.00 -0.75 -0.53 0.00 0.43 0.00 0.00 57.03 56.17 3cas h ASP 129 Cb 0.00 -0.27 0.05 0.00 -0.56 0.00 0.00 39.33 38.55 3cas h ASP 129 CO 0.00 1.52 1.04 1.21 -1.57 0.00 0.00 179.24 181.45 3cas n GLU 130 N -3.88 2.72 -0.11 3.56 4.07 -1.26 -4.90 120.64 120.83 3cas n GLU 130 Ca -0.11 0.98 -0.12 0.00 -0.06 0.00 0.00 57.16 57.85 3cas n GLU 130 Cb 0.88 -2.85 -0.03 0.00 -0.06 0.00 0.00 31.44 29.39 3cas n GLU 130 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 3cas h ILE 131 N 4.22 1.29 -3.09 6.31 1.08 -1.97 -3.37 117.51 121.99 3cas h ILE 131 Ca -0.45 -1.28 -0.62 0.00 -0.39 0.00 0.00 64.86 62.12 3cas h ILE 131 Cb 1.22 1.41 -0.42 0.00 -3.07 0.00 0.00 36.82 35.95 3cas h ILE 131 CO 0.95 0.42 -0.58 -0.31 -0.69 0.00 0.00 178.15 177.93 3cas s TYR 132 N -4.61 3.54 0.12 1.37 1.51 -1.26 -4.83 117.35 113.19 3cas s TYR 132 Ca -0.13 -3.33 -0.31 0.00 -1.01 0.00 0.00 57.07 52.30 3cas s TYR 132 Cb 0.09 -2.69 -0.08 0.00 -0.11 0.00 0.00 41.96 39.17 3cas s TYR 132 CO 0.81 -0.55 1.39 -1.25 -1.11 0.00 0.00 175.55 174.84 3cas s PRO 133 N -1.41 4.32 -0.09 -1.71 0.04 -1.26 -5.02 135.00 129.87 3cas s PRO 133 Ca 0.25 2.09 -0.21 0.00 0.04 0.00 0.00 61.00 63.16 3cas s PRO 133 Cb -0.05 -3.24 0.05 0.00 0.04 0.00 0.00 34.50 31.30 3cas s PRO 133 CO -0.16 -0.43 0.50 1.03 0.04 0.00 0.00 177.00 177.98 3cas s ARG 134 N 0.99 0.77 0.89 4.56 0.52 -1.26 -1.47 118.95 123.95 3cas s ARG 134 Ca 0.64 0.26 -0.14 0.00 -0.52 0.00 0.00 55.73 55.97 3cas s ARG 134 Cb -0.37 0.36 0.14 0.00 0.52 0.00 0.00 34.95 35.60 3cas s ARG 134 CO 0.31 -0.19 1.25 0.16 0.02 0.00 0.00 175.30 176.84 3cas s ASP 135 N -0.74 3.81 0.65 0.23 1.47 -0.90 -4.81 116.67 116.37 3cas s ASP 135 Ca -0.08 0.54 0.22 0.00 1.18 0.00 0.00 52.55 54.41 3cas s ASP 135 Cb -0.03 -0.82 1.19 0.00 -0.34 0.00 0.00 42.92 42.91 3cas s ASP 135 CO 0.05 -2.32 1.67 1.05 0.68 0.00 0.00 175.17 176.29 3cas h GLU 136 N -1.35 0.00 -0.00 2.11 4.11 -2.03 0.56 114.58 117.98 3cas h GLU 136 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 3cas h GLU 136 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3cas h GLU 136 CO 0.53 0.00 -0.42 0.09 0.07 0.00 0.00 179.01 179.28 3cas n ASN 137 N -2.90 0.71 0.00 3.06 3.02 -1.26 -4.93 115.26 112.96 3cas n ASN 137 Ca 0.01 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 3cas n ASN 137 Cb 0.61 0.22 0.00 0.00 -0.61 0.00 0.00 39.78 40.00 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 1.44 0.70 3.65 7.41 0.00 0.20 -5.03 105.19 113.56 3cas n GLY 138 Ca 0.08 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.66 4.21 0.12 1.61 2.20 -1.25 -4.81 119.74 121.16 3cas s LYS 139 Ca 0.00 1.11 -0.31 0.00 -0.36 0.00 0.00 55.97 56.41 3cas s LYS 139 Cb 0.00 -3.64 -0.11 0.00 -1.51 0.00 0.00 37.83 32.57 3cas s LYS 139 CO 0.00 -0.57 1.83 0.91 -0.36 0.00 0.00 175.35 177.16 3cas n TRP 140 N 6.14 2.61 -2.65 4.03 7.02 -1.26 -2.13 117.44 131.20 3cas n TRP 140 Ca 0.08 -0.12 -0.42 0.00 -1.02 0.00 0.00 57.50 56.02 3cas n TRP 140 Cb 0.47 -2.72 -0.03 0.00 -2.42 0.00 0.00 31.31 26.61 3cas n TRP 140 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 3cas s LEU 141 N 2.67 3.57 0.19 -0.99 1.43 -0.54 -4.96 118.68 120.06 3cas s LEU 141 Ca 0.82 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 53.42 3cas s LEU 141 Cb -0.50 -2.68 -0.06 0.00 0.03 0.00 0.00 46.19 42.99 3cas s LEU 141 CO 0.38 -1.62 0.45 -0.31 0.23 0.00 0.00 176.35 175.47 3cas s TYR 142 N 5.05 3.46 0.25 0.29 4.12 -1.26 -1.71 117.35 127.55 3cas s TYR 142 Ca 0.33 0.62 0.11 0.00 0.02 0.00 0.00 57.07 58.16 3cas s TYR 142 Cb -0.10 -2.07 -0.05 0.00 -1.52 0.00 0.00 41.96 38.23 3cas s TYR 142 CO 0.16 0.35 -0.18 -1.58 0.02 0.00 0.00 175.55 174.32 3cas s HIS 143 N -1.79 2.36 -0.11 2.71 2.46 0.29 -4.55 115.29 116.67 3cas s HIS 143 Ca 0.43 -0.32 -0.30 0.00 0.47 0.00 0.00 55.06 55.34 3cas s HIS 143 Cb -0.12 -1.07 -0.03 0.00 -0.13 0.00 0.00 32.58 31.23 3cas s HIS 143 CO 0.25 0.63 1.30 0.21 -2.47 0.00 0.00 174.74 174.66 3cas s LYS 144 N -3.25 4.26 0.42 2.88 2.20 -1.26 -4.43 119.74 120.56 3cas s LYS 144 Ca 0.27 1.74 -0.15 0.00 -0.36 0.00 0.00 55.97 57.47 3cas s LYS 144 Cb -0.06 -3.72 -0.08 0.00 -1.51 0.00 0.00 37.83 32.46 3cas s LYS 144 CO 0.14 -0.64 0.85 -1.12 -0.36 0.00 0.00 175.35 174.22 3cas s SER 145 N 1.97 6.68 -0.47 1.43 0.01 -1.26 -4.94 113.70 117.13 3cas s SER 145 Ca 0.58 1.38 0.06 0.00 1.31 0.00 0.00 55.95 59.28 3cas s SER 145 Cb -0.24 -2.42 0.24 0.00 0.21 0.00 0.00 66.02 63.80 3cas s SER 145 CO 0.19 -0.40 0.77 -3.20 0.41 0.00 0.00 173.24 171.01 3cas n ASN 146 N -1.05 -2.16 -0.34 2.44 2.85 -1.26 -5.03 115.26 110.72 3cas n ASN 146 Ca 0.05 -3.10 0.22 0.00 -0.11 0.00 0.00 54.58 51.63 3cas n ASN 146 Cb 0.54 1.18 0.44 0.00 1.24 0.00 0.00 39.78 43.18 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 4.13 0.57 -0.30 1.20 3.38 -1.95 -0.42 115.31 121.92 3cas h LEU 147 Ca -0.07 0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3cas h LEU 147 Cb 1.00 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3cas h LEU 147 CO 0.34 -0.05 0.03 0.00 0.09 0.00 0.00 178.44 178.84 3cas h ALA 149 N 0.86 0.93 -0.53 0.00 0.00 -1.54 -2.19 119.26 116.79 3cas h ALA 149 Ca 0.09 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 3cas h ALA 149 Cb 0.38 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3cas h ALA 149 CO 0.01 0.67 -0.13 1.15 0.00 0.00 0.00 179.25 180.95 3cas h THR 150 N 1.07 1.27 -0.30 0.00 2.02 -1.20 -2.88 112.91 112.89 3cas h THR 150 Ca 0.22 -1.29 -0.04 0.00 0.77 0.00 0.00 66.41 66.07 3cas h THR 150 Cb 0.41 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 3cas h THR 150 CO 0.01 0.45 0.01 -0.25 0.37 0.00 0.00 175.52 176.11 3cas h TRP 151 N 0.89 0.47 -0.44 3.16 2.91 -0.95 -1.92 115.95 120.07 3cas h TRP 151 Ca 0.13 -0.04 -0.08 0.00 1.13 0.00 0.00 58.89 60.04 3cas h TRP 151 Cb 0.70 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 29.19 3cas h TRP 151 CO 0.05 0.46 -0.04 0.93 -1.03 0.00 0.00 178.44 178.80 3cas h GLU 152 N 0.45 0.73 0.00 2.65 5.08 -1.19 -0.23 114.58 122.07 3cas h GLU 152 Ca 0.10 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 3cas h GLU 152 Cb 0.27 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3cas h GLU 152 CO 0.01 0.78 -0.44 0.00 -1.00 0.00 0.00 179.01 178.35 3cas h ALA 153 N 1.27 1.22 -0.23 3.43 0.00 -1.24 -2.29 119.26 121.42 3cas h ALA 153 Ca 0.13 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 3cas h ALA 153 Cb 0.49 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3cas h ALA 153 CO 0.02 0.56 -0.38 0.52 0.00 0.00 0.00 179.25 179.97 3cas h MET 154 N 0.00 0.66 -0.49 0.00 2.86 -0.63 -3.01 114.93 114.32 3cas h MET 154 Ca -0.00 -0.41 0.02 0.00 -2.06 0.00 0.00 59.70 57.25 3cas h MET 154 Cb 0.81 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.49 3cas h MET 154 CO 0.06 1.02 0.32 0.93 1.06 0.00 0.00 176.91 180.30 3cas h GLU 155 N 0.37 0.58 -0.39 1.72 5.08 -0.73 -0.97 114.58 120.23 3cas h GLU 155 Ca 0.02 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 3cas h GLU 155 Cb 0.97 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 3cas h GLU 155 CO 0.09 0.38 -0.01 0.00 -1.00 0.00 0.00 179.01 178.47 3cas h ALA 156 N 1.71 1.25 -0.44 3.43 0.00 -1.29 -1.71 119.26 122.21 3cas h ALA 156 Ca 0.19 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3cas h ALA 156 Cb 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3cas h ALA 156 CO -0.05 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.70 3cas h LYS 158 N 0.67 0.72 -0.78 0.00 3.64 -1.22 -2.30 116.57 117.30 3cas h LYS 158 Ca 0.13 -0.57 0.05 0.00 -1.27 0.00 0.00 60.65 58.99 3cas h LYS 158 Cb 0.41 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.30 3cas h LYS 158 CO 0.02 1.19 0.51 -0.44 -2.27 0.00 0.00 179.45 178.46 3cas h ASP 159 N 0.50 0.79 0.91 4.20 3.32 -0.93 -0.79 116.42 124.41 3cas h ASP 159 Ca -0.04 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3cas h ASP 159 Cb 1.36 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3cas h ASP 159 CO 0.15 0.53 0.00 0.00 -1.72 0.00 0.00 179.24 178.20 3cas n ALA 160 N -2.43 2.09 -0.71 3.45 0.00 -0.53 -4.92 120.51 117.47 3cas n ALA 160 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3cas n ALA 160 Cb 0.15 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 0.96 0.63 0.04 0.00 0.00 -0.30 -4.94 105.19 101.57 3cas n GLY 161 Ca 0.06 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.29 -3.69 0.99 4.77 -0.88 -4.82 117.00 113.66 3cas n LEU 162 Ca 0.00 0.53 -0.14 0.00 -0.03 0.00 0.00 56.01 56.37 3cas n LEU 162 Cb 0.00 -0.45 -0.09 0.00 -2.33 0.00 0.00 43.42 40.56 3cas n LEU 162 CO 0.00 -0.11 0.21 0.54 -1.33 0.00 0.00 177.39 176.70 3cas s VAL 163 N -3.05 0.01 -0.08 4.08 0.11 -1.25 -2.32 120.40 117.90 3cas s VAL 163 Ca 0.12 -0.05 -0.26 0.00 -2.93 0.00 0.00 61.98 58.87 3cas s VAL 163 Cb 0.16 -0.74 -0.21 0.00 -1.53 0.00 0.00 36.38 34.05 3cas s VAL 163 CO 0.52 -0.03 0.94 0.11 -3.33 0.00 0.00 175.10 173.31 3cas h LYS 164 N 4.97 -0.03 -5.40 1.54 1.79 -1.44 -3.41 116.57 114.58 3cas h LYS 164 Ca -0.28 0.00 -0.42 0.00 -2.18 0.00 0.00 60.65 57.78 3cas h LYS 164 Cb 1.17 0.01 -0.21 0.00 -1.58 0.00 0.00 32.23 31.62 3cas h LYS 164 CO 0.22 0.65 -0.78 -1.12 -1.08 0.00 0.00 179.45 177.34 3cas s SER 165 N -5.89 1.79 -0.02 0.86 0.01 -0.28 -5.02 113.70 105.15 3cas s SER 165 Ca -0.16 -0.67 0.05 0.00 1.31 0.00 0.00 55.95 56.48 3cas s SER 165 Cb -0.01 -0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.14 3cas s SER 165 CO 0.62 -0.09 -0.17 -0.76 0.41 0.00 0.00 173.24 173.25 3cas s LEU 166 N -1.92 2.57 0.00 2.44 1.43 -1.26 -2.34 118.68 119.60 3cas s LEU 166 Ca 0.01 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 52.79 3cas s LEU 166 Cb -0.09 -1.51 0.01 0.00 0.03 0.00 0.00 46.19 44.63 3cas s LEU 166 CO 0.02 0.32 0.09 0.61 0.23 0.00 0.00 176.35 177.62 3cas n GLY 167 N 2.14 2.16 3.38 -3.19 0.00 -0.87 -1.36 105.19 107.46 3cas n GLY 167 Ca -0.17 -1.13 -0.22 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.79 0.26 -0.16 1.61 -7.23 -0.34 -2.29 120.40 109.47 3cas s VAL 168 Ca 0.02 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.05 3cas s VAL 168 Cb -0.00 -2.43 0.04 0.00 0.56 0.00 0.00 36.38 34.55 3cas s VAL 168 CO 0.02 0.00 0.42 -0.55 -0.31 0.00 0.00 175.10 174.68 3cas s SER 169 N -3.47 -0.45 -1.30 4.85 0.15 -0.60 -1.62 113.70 111.26 3cas s SER 169 Ca 0.33 0.86 -0.02 0.00 0.70 0.00 0.00 55.95 57.81 3cas s SER 169 Cb 0.03 0.86 0.00 0.00 -1.71 0.00 0.00 66.02 65.19 3cas s SER 169 CO 0.21 -0.15 0.31 0.59 1.20 0.00 0.00 173.24 175.39 3cas n ASN 170 N 2.99 -5.07 -4.73 5.45 5.03 -0.68 -3.97 115.26 114.28 3cas n ASN 170 Ca -0.14 -0.15 -0.35 0.00 0.87 0.00 0.00 54.58 54.81 3cas n ASN 170 Cb 0.57 -4.01 -0.08 0.00 -1.02 0.00 0.00 39.78 35.23 3cas n ASN 170 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 3cas s PHE 171 N -2.96 3.38 0.69 3.10 0.40 -1.26 -4.45 117.98 116.88 3cas s PHE 171 Ca 0.15 0.28 -0.02 0.00 -0.60 0.00 0.00 56.93 56.74 3cas s PHE 171 Cb -0.07 -2.05 0.09 0.00 0.51 0.00 0.00 43.02 41.51 3cas s PHE 171 CO 0.19 0.37 0.96 0.54 0.70 0.00 0.00 175.22 177.98 3cas s ASN 172 N -0.09 4.59 0.28 1.36 2.20 -1.26 -4.88 114.94 117.13 3cas s ASN 172 Ca 0.09 -0.07 0.01 0.00 -0.94 0.00 0.00 52.86 51.95 3cas s ASN 172 Cb -0.12 -0.47 0.59 0.00 -2.00 0.00 0.00 41.25 39.25 3cas s ASN 172 CO 0.01 -1.68 1.77 -0.09 -2.94 0.00 0.00 177.10 174.16 3cas h ARG 173 N -0.46 0.68 -0.12 3.55 2.43 -1.32 -1.88 114.38 117.25 3cas h ARG 173 Ca -0.40 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.72 3cas h ARG 173 Cb 1.28 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 3cas h ARG 173 CO 0.47 0.45 0.03 -0.09 -1.51 0.00 0.00 179.97 179.32 3cas h ARG 174 N 0.70 0.19 0.00 0.20 2.43 -1.94 -1.56 114.38 114.40 3cas h ARG 174 Ca 0.50 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.61 3cas h ARG 174 Cb 0.70 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 3cas h ARG 174 CO -0.36 0.34 -0.08 1.96 -1.51 0.00 0.00 179.97 180.33 3cas h GLN 175 N 0.00 0.00 -0.07 0.20 4.20 -1.83 -1.61 115.11 116.00 3cas h GLN 175 Ca 0.04 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.59 3cas h GLN 175 Cb 0.24 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.02 3cas h GLN 175 CO -0.00 0.08 -0.56 -0.07 -0.67 0.00 0.00 178.83 177.61 3cas h LEU 176 N 0.00 0.61 -1.40 1.46 3.38 -1.04 -3.24 115.31 115.10 3cas h LEU 176 Ca -0.00 -0.68 -0.05 0.00 0.09 0.00 0.00 57.88 57.23 3cas h LEU 176 Cb 0.16 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3cas h LEU 176 CO 0.01 1.20 -0.26 -0.33 0.09 0.00 0.00 178.44 179.15 3cas h GLU 177 N 0.07 0.00 -0.02 1.13 5.08 -0.78 -1.16 114.58 118.90 3cas h GLU 177 Ca -0.05 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3cas h GLU 177 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 3cas h GLU 177 CO 0.11 0.26 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.17 3cas h LEU 178 N 0.00 0.03 0.07 1.33 4.07 -1.33 0.14 115.31 119.62 3cas h LEU 178 Ca -0.00 -0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.62 3cas h LEU 178 Cb 0.61 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.31 3cas h LEU 178 CO 0.03 0.18 -1.91 -0.38 -1.08 0.00 0.00 178.44 175.28 3cas n ILE 179 N -4.35 1.69 0.21 1.22 5.41 -0.92 -3.35 119.36 119.27 3cas n ILE 179 Ca -0.02 -0.72 0.06 0.00 1.00 0.00 0.00 62.75 63.07 3cas n ILE 179 Cb 0.22 -1.40 0.46 0.00 -0.71 0.00 0.00 39.64 38.20 3cas n ILE 179 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3cas h LEU 180 N 0.04 0.00 -3.23 1.39 3.38 -0.92 -2.58 115.31 113.39 3cas h LEU 180 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3cas h LEU 180 Cb 2.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.78 3cas h LEU 180 CO 0.08 0.30 0.00 0.59 0.09 0.00 0.00 178.44 179.49 3cas n ASN 181 N -3.85 4.40 -4.77 -0.43 3.02 0.48 -5.00 115.26 109.10 3cas n ASN 181 Ca -0.01 -2.67 -0.40 0.00 -0.03 0.00 0.00 54.58 51.46 3cas n ASN 181 Cb 0.38 -0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 38.99 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 -2.23 4.37 -0.01 3.52 2.20 -0.97 -4.96 119.74 121.65 3cas s LYS 182 Ca 0.45 2.09 -0.30 0.00 -0.36 0.00 0.00 55.97 57.84 3cas s LYS 182 Cb 0.32 -3.04 -0.05 0.00 -1.51 0.00 0.00 37.83 33.55 3cas s LYS 182 CO 0.16 -0.13 1.37 -2.14 -0.36 0.00 0.00 175.35 174.26 3cas s PRO 183 N -1.79 4.29 -0.49 4.03 0.02 -1.26 -2.83 135.00 136.97 3cas s PRO 183 Ca 0.49 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.43 3cas s PRO 183 Cb -0.37 -3.58 0.00 0.00 0.02 0.00 0.00 34.50 30.57 3cas s PRO 183 CO 0.49 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 177.00 3cas n GLY 184 N 3.61 0.41 3.66 0.52 0.00 -1.26 -4.95 105.19 107.18 3cas n GLY 184 Ca 0.13 -0.73 -0.49 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.68 2.81 -0.09 0.99 7.94 -1.13 -4.89 117.00 121.94 3cas n LEU 185 Ca -0.06 1.06 -0.14 0.00 -1.11 0.00 0.00 56.01 55.77 3cas n LEU 185 Cb 0.40 -1.34 -0.06 0.00 0.53 0.00 0.00 43.42 42.95 3cas n LEU 185 CO 0.07 -0.40 -0.63 1.17 -1.11 0.00 0.00 177.39 176.49 3cas n LYS 186 N 4.18 0.52 -4.00 1.96 4.81 -1.26 -4.92 118.16 119.45 3cas n LYS 186 Ca 0.19 0.44 -0.30 0.00 -0.87 0.00 0.00 58.31 57.77 3cas n LYS 186 Cb 0.25 -1.62 -0.16 0.00 0.02 0.00 0.00 35.03 33.52 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 -2.45 2.29 0.48 5.64 3.76 -1.26 -5.12 115.29 118.62 3cas s HIS 187 Ca -0.25 -1.43 -0.20 0.00 -0.15 0.00 0.00 55.06 53.04 3cas s HIS 187 Cb 0.05 -1.61 -0.09 0.00 1.11 0.00 0.00 32.58 32.05 3cas s HIS 187 CO 0.40 -0.71 1.00 -1.59 -0.85 0.00 0.00 174.74 172.99 3cas s LYS 188 N 1.44 3.93 0.46 1.40 -2.85 -1.26 -4.99 119.74 117.87 3cas s LYS 188 Ca 0.01 1.22 -0.25 0.00 -1.00 0.00 0.00 55.97 55.96 3cas s LYS 188 Cb -0.15 -2.12 -0.08 0.00 -2.06 0.00 0.00 37.83 33.42 3cas s LYS 188 CO -0.09 -0.31 1.38 -2.14 0.10 0.00 0.00 175.35 174.30 3cas s PRO 189 N -3.37 3.65 0.00 1.78 0.02 -1.26 -4.83 135.00 130.99 3cas s PRO 189 Ca 0.64 2.32 0.14 0.00 0.02 0.00 0.00 61.00 64.12 3cas s PRO 189 Cb -0.13 -2.60 -0.10 0.00 0.02 0.00 0.00 34.50 31.69 3cas s PRO 189 CO 0.20 -0.81 0.67 1.33 -0.33 0.00 0.00 177.00 178.06 3cas n VAL 190 N -0.28 0.00 -3.48 3.83 0.24 -0.46 -4.79 118.33 113.39 3cas n VAL 190 Ca 0.06 -0.23 -0.15 0.00 -2.04 0.00 0.00 64.34 61.98 3cas n VAL 190 Cb 0.43 1.06 -0.04 0.00 -1.47 0.00 0.00 33.84 33.82 3cas n VAL 190 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3cas s SER 191 N -2.14 -0.61 -0.15 -1.34 1.04 -1.26 -1.73 113.70 107.50 3cas s SER 191 Ca 0.08 0.39 -0.02 0.00 0.48 0.00 0.00 55.95 56.88 3cas s SER 191 Cb 0.11 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.84 3cas s SER 191 CO 0.51 -0.76 0.00 0.21 0.98 0.00 0.00 173.24 174.17 3cas s ASN 192 N -1.89 2.52 -0.39 7.02 2.47 -0.85 -1.20 114.94 122.62 3cas s ASN 192 Ca -0.05 -0.58 -0.20 0.00 0.42 0.00 0.00 52.86 52.44 3cas s ASN 192 Cb -0.00 -0.63 0.01 0.00 -1.45 0.00 0.00 41.25 39.17 3cas s ASN 192 CO -0.00 -0.24 0.64 -1.58 -3.72 0.00 0.00 177.10 172.19 3cas s GLN 193 N 1.83 3.51 0.17 0.43 0.74 -0.64 -2.27 119.66 123.43 3cas s GLN 193 Ca 0.01 -0.13 -0.00 0.00 0.05 0.00 0.00 55.36 55.29 3cas s GLN 193 Cb -0.15 -3.87 -0.04 0.00 1.10 0.00 0.00 33.01 30.05 3cas s GLN 193 CO -0.07 -0.85 0.07 0.14 -0.55 0.00 0.00 175.29 174.03 3cas s VAL 194 N 2.76 0.24 0.13 1.34 -7.23 -0.66 -1.68 120.40 115.29 3cas s VAL 194 Ca 0.24 -1.96 -0.31 0.00 -1.81 0.00 0.00 61.98 58.14 3cas s VAL 194 Cb -0.14 -2.25 -0.09 0.00 0.56 0.00 0.00 36.38 34.45 3cas s VAL 194 CO 0.17 -0.29 1.56 -0.70 -0.31 0.00 0.00 175.10 175.53 3cas s GLU 195 N -4.05 4.23 -0.22 4.82 2.12 -1.26 -1.27 118.70 123.06 3cas s GLU 195 Ca 0.30 2.30 -0.10 0.00 0.36 0.00 0.00 54.97 57.82 3cas s GLU 195 Cb 0.07 -3.29 0.08 0.00 0.26 0.00 0.00 34.13 31.25 3cas s GLU 195 CO 0.06 -0.61 0.51 0.00 -0.54 0.00 0.00 175.26 174.68 3cas s HIS 197 N 2.06 0.07 0.52 0.00 -3.43 -0.90 -4.34 115.29 109.26 3cas s HIS 197 Ca -0.07 -0.49 0.28 0.00 -0.80 0.00 0.00 55.06 53.98 3cas s HIS 197 Cb -0.09 0.71 1.41 0.00 -1.43 0.00 0.00 32.58 33.18 3cas s HIS 197 CO -0.15 -0.98 1.92 -1.35 -2.00 0.00 0.00 174.74 172.18 3cas h PRO 198 N 2.00 0.05 0.00 -0.38 0.11 -1.89 -0.18 132.00 131.72 3cas h PRO 198 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3cas h PRO 198 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3cas h PRO 198 CO 0.36 0.03 -0.41 0.66 -0.21 0.00 0.00 178.00 178.44 3cas n TYR 199 N -4.33 0.64 -3.15 0.65 0.53 -1.26 -1.70 117.16 108.55 3cas n TYR 199 Ca 0.16 0.19 -0.19 0.00 -1.02 0.00 0.00 57.90 57.04 3cas n TYR 199 Cb 0.83 -0.73 -0.06 0.00 -1.03 0.00 0.00 39.34 38.35 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 -2.12 -1.83 1.26 -0.72 7.35 -0.14 -0.90 117.46 120.35 3cas n PHE 200 Ca 0.04 -2.70 0.11 0.00 -0.76 0.00 0.00 57.45 54.14 3cas n PHE 200 Cb 0.43 0.61 0.62 0.00 0.35 0.00 0.00 39.48 41.49 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 2.60 0.14 -3.89 -2.13 -2.24 -0.81 -2.13 114.28 105.82 3cas n THR 201 Ca 0.24 0.04 -0.25 0.00 -2.27 0.00 0.00 64.05 61.81 3cas n THR 201 Cb 0.52 -0.68 -0.01 0.00 -2.10 0.00 0.00 70.33 68.07 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 -1.13 -3.52 -0.05 -0.78 1.13 -1.26 -4.88 117.38 106.89 3cas n GLN 202 Ca 0.14 0.45 -0.08 0.00 -1.94 0.00 0.00 57.00 55.57 3cas n GLN 202 Cb 0.12 -4.63 -0.02 0.00 0.11 0.00 0.00 30.24 25.82 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 -1.85 0.07 -0.26 -1.09 0.13 -1.99 -1.53 132.00 125.48 3cas h PRO 203 Ca -0.63 -0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.42 3cas h PRO 203 Cb 1.37 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 3cas h PRO 203 CO 0.61 0.05 -0.15 0.87 -0.23 0.00 0.00 178.00 179.14 3cas h LYS 204 N 0.07 0.56 -0.03 0.86 1.79 -1.96 -2.42 116.57 115.44 3cas h LYS 204 Ca 0.11 -0.25 -0.11 0.00 -2.18 0.00 0.00 60.65 58.21 3cas h LYS 204 Cb 0.13 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 3cas h LYS 204 CO -0.18 0.82 -0.48 1.25 -1.08 0.00 0.00 179.45 179.78 3cas h LEU 205 N 0.28 0.09 -0.33 2.94 5.85 -1.89 -1.58 115.31 120.66 3cas h LEU 205 Ca 0.05 -0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.56 3cas h LEU 205 Cb 0.67 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 3cas h LEU 205 CO 0.04 0.56 -0.49 0.25 -0.34 0.00 0.00 178.44 178.46 3cas h LEU 206 N 0.07 0.99 -0.59 2.25 5.85 -1.27 -1.06 115.31 121.55 3cas h LEU 206 Ca 0.00 -0.50 -0.10 0.00 0.84 0.00 0.00 57.88 58.12 3cas h LEU 206 Cb 0.88 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 3cas h LEU 206 CO 0.07 1.31 -0.02 0.50 -0.34 0.00 0.00 178.44 179.96 3cas h LYS 207 N 0.71 1.05 0.13 1.25 3.64 -1.26 -0.84 116.57 121.25 3cas h LYS 207 Ca 0.03 -0.34 -0.01 0.00 -1.27 0.00 0.00 60.65 59.06 3cas h LYS 207 Cb 1.09 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 3cas h LYS 207 CO 0.11 1.04 -0.06 0.35 -2.27 0.00 0.00 179.45 178.62 3cas h PHE 208 N 0.94 -0.16 -0.94 1.91 3.57 -1.21 -2.81 116.94 118.24 3cas h PHE 208 Ca 0.16 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.76 3cas h PHE 208 Cb 0.58 0.05 -0.07 0.00 2.79 0.00 0.00 35.95 39.30 3cas h PHE 208 CO 0.04 0.14 0.60 0.00 -2.23 0.00 0.00 178.31 176.87 3cas h GLN 210 N 0.95 0.31 0.00 0.00 4.20 -1.06 0.15 115.11 119.65 3cas h GLN 210 Ca 0.44 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 59.07 3cas h GLN 210 Cb 0.42 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 3cas h GLN 210 CO -0.20 0.38 -0.09 1.96 -0.67 0.00 0.00 178.83 180.21 3cas h GLN 211 N 0.30 0.00 -0.31 1.46 4.20 -0.92 -2.69 115.11 117.15 3cas h GLN 211 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3cas h GLN 211 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 3cas h GLN 211 CO 0.01 0.09 0.00 0.72 -0.67 0.00 0.00 178.83 178.99 3cas n HIS 212 N -3.31 0.92 -2.58 2.96 8.25 -0.60 -4.96 115.22 115.90 3cas n HIS 212 Ca -0.01 -0.78 -0.18 0.00 -0.26 0.00 0.00 57.72 56.49 3cas n HIS 212 Cb 0.30 -0.26 -0.00 0.00 1.12 0.00 0.00 29.99 31.14 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 -0.19 -5.09 -4.73 0.41 8.00 -0.82 -4.96 116.55 109.17 3cas n ASP 213 Ca 0.20 -0.01 -0.37 0.00 0.71 0.00 0.00 54.79 55.32 3cas n ASP 213 Cb 0.81 -4.23 -0.07 0.00 -0.02 0.00 0.00 41.12 37.61 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 -2.91 5.28 -0.11 0.53 1.01 0.42 -4.27 121.20 121.16 3cas s ILE 214 Ca 0.08 0.62 -0.15 0.00 0.00 0.00 0.00 60.65 61.20 3cas s ILE 214 Cb -0.04 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 3cas s ILE 214 CO 0.10 0.39 0.36 -0.69 0.00 0.00 0.00 174.94 175.10 3cas s VAL 215 N 0.39 5.22 -0.02 2.92 1.01 -0.71 -4.02 120.40 125.19 3cas s VAL 215 Ca 0.18 0.70 -0.20 0.00 0.00 0.00 0.00 61.98 62.67 3cas s VAL 215 Cb -0.13 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 3cas s VAL 215 CO 0.05 0.44 0.57 -0.63 0.00 0.00 0.00 175.10 175.53 3cas s ILE 216 N 0.01 4.96 -0.21 2.22 1.01 -1.26 -2.00 121.20 125.93 3cas s ILE 216 Ca 0.21 1.18 -0.04 0.00 0.00 0.00 0.00 60.65 61.99 3cas s ILE 216 Cb -0.14 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 3cas s ILE 216 CO 0.08 0.41 -0.02 -0.89 0.00 0.00 0.00 174.94 174.52 3cas s THR 217 N -0.11 3.73 -0.51 2.92 2.01 -0.96 -1.83 115.64 120.89 3cas s THR 217 Ca 0.30 -0.38 -0.23 0.00 0.31 0.00 0.00 61.69 61.68 3cas s THR 217 Cb -0.18 -2.69 0.04 0.00 0.01 0.00 0.00 72.50 69.68 3cas s THR 217 CO 0.16 0.43 0.85 0.00 -0.69 0.00 0.00 174.62 175.36 3cas s ALA 218 N 1.16 3.24 0.50 7.40 0.00 0.24 -1.66 121.76 132.64 3cas s ALA 218 Ca 0.03 -1.22 -0.05 0.00 0.00 0.00 0.00 51.96 50.72 3cas s ALA 218 Cb -0.14 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.36 3cas s ALA 218 CO 0.01 -2.17 0.80 1.52 0.00 0.00 0.00 175.76 175.91 3cas s TYR 219 N 3.55 3.46 -1.54 0.00 -0.85 -0.40 -3.04 117.35 118.53 3cas s TYR 219 Ca 0.28 0.73 -0.08 0.00 -0.52 0.00 0.00 57.07 57.48 3cas s TYR 219 Cb -0.13 -2.40 0.07 0.00 0.38 0.00 0.00 41.96 39.87 3cas s TYR 219 CO 0.20 -0.41 0.55 0.43 -1.52 0.00 0.00 175.55 174.79 3cas n SER 220 N -2.32 -1.51 0.08 -0.18 7.64 -1.26 -3.23 113.62 112.83 3cas n SER 220 Ca 0.01 -1.02 0.08 0.00 1.01 0.00 0.00 58.87 58.95 3cas n SER 220 Cb 0.56 -2.85 0.36 0.00 -1.01 0.00 0.00 64.21 61.27 3cas n SER 220 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3cas n PRO 221 N -4.42 0.09 -0.23 1.43 -0.04 -1.25 -1.72 135.00 128.86 3cas n PRO 221 Ca -0.15 0.46 0.08 0.00 -0.04 0.00 0.00 63.50 63.85 3cas n PRO 221 Cb 0.61 -1.72 0.21 0.00 -0.04 0.00 0.00 33.50 32.55 3cas n PRO 221 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3cas n LEU 222 N -1.90 3.25 0.00 1.53 4.77 -1.26 -4.77 117.00 118.62 3cas n LEU 222 Ca 0.01 -1.86 0.00 0.00 -0.03 0.00 0.00 56.01 54.13 3cas n LEU 222 Cb 0.11 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3cas n LEU 222 CO 0.11 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 3cas n GLY 223 N 1.01 0.86 0.38 -0.72 0.00 -0.70 -4.56 105.19 101.45 3cas n GLY 223 Ca 0.16 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.26 -0.07 1.50 2.61 -2.24 -1.25 -4.47 114.28 108.10 3cas n THR 224 Ca 0.00 0.16 0.05 0.00 -2.27 0.00 0.00 64.05 61.99 3cas n THR 224 Cb 0.00 -0.29 0.18 0.00 -2.10 0.00 0.00 70.33 68.12 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 -2.88 0.89 -3.81 3.42 3.41 -1.26 -4.92 113.62 108.46 3cas n SER 225 Ca -0.01 -1.88 -0.23 0.00 -0.26 0.00 0.00 58.87 56.48 3cas n SER 225 Cb 0.18 -0.10 0.01 0.00 -0.26 0.00 0.00 64.21 64.04 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 -0.06 -4.28 -2.66 4.33 1.74 -1.26 -4.94 116.66 109.51 3cas n ARG 226 Ca 0.08 0.53 -0.43 0.00 -0.77 0.00 0.00 57.85 57.27 3cas n ARG 226 Cb 0.16 -4.93 -0.02 0.00 -1.02 0.00 0.00 32.46 26.64 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 -4.33 7.18 0.63 0.55 3.84 -1.26 -4.89 114.94 116.66 3cas s ASN 227 Ca 0.03 1.49 0.28 0.00 0.21 0.00 0.00 52.86 54.87 3cas s ASN 227 Cb -0.01 -2.55 1.50 0.00 -0.55 0.00 0.00 41.25 39.64 3cas s ASN 227 CO 0.84 -0.54 1.87 1.55 -2.79 0.00 0.00 177.10 178.03 3cas h PRO 228 N 7.27 0.00 -0.63 0.43 0.13 -1.93 0.29 132.00 137.57 3cas h PRO 228 Ca -0.26 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.77 3cas h PRO 228 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 3cas h PRO 228 CO 0.91 0.00 0.03 0.82 -0.23 0.00 0.00 178.00 179.52 3cas h ILE 229 N 0.00 1.27 0.00 -3.56 1.08 -2.03 -3.34 117.51 110.93 3cas h ILE 229 Ca 0.10 -1.13 0.00 0.00 -0.39 0.00 0.00 64.86 63.43 3cas h ILE 229 Cb 0.95 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 35.44 3cas h ILE 229 CO -0.00 0.42 -0.31 0.79 -0.69 0.00 0.00 178.15 178.35 3cas n TRP 230 N -4.18 0.00 -4.61 1.37 7.02 -0.25 -5.03 117.44 111.75 3cas n TRP 230 Ca 0.03 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.29 3cas n TRP 230 Cb 0.34 -0.01 -0.15 0.00 -2.42 0.00 0.00 31.31 29.07 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 -1.59 1.12 -0.94 -0.99 1.01 0.87 -4.39 120.40 115.49 3cas s VAL 231 Ca 0.02 -0.66 -0.24 0.00 0.00 0.00 0.00 61.98 61.10 3cas s VAL 231 Cb 0.04 -0.95 0.03 0.00 0.00 0.00 0.00 36.38 35.51 3cas s VAL 231 CO 0.24 0.27 1.49 0.21 0.00 0.00 0.00 175.10 177.32 3cas s ASN 232 N -0.45 6.24 0.22 3.32 2.47 -1.26 -4.12 114.94 121.37 3cas s ASN 232 Ca 0.05 -1.13 0.08 0.00 0.42 0.00 0.00 52.86 52.28 3cas s ASN 232 Cb -0.06 -2.57 0.45 0.00 -1.45 0.00 0.00 41.25 37.63 3cas s ASN 232 CO -0.00 -1.74 1.10 0.52 -3.72 0.00 0.00 177.10 173.26 3cas n VAL 233 N 6.93 0.72 0.19 -5.21 0.31 -1.26 -0.78 118.33 119.23 3cas n VAL 233 Ca 0.28 0.67 0.04 0.00 -0.01 0.00 0.00 64.34 65.32 3cas n VAL 233 Cb 0.50 -1.67 0.38 0.00 -0.91 0.00 0.00 33.84 32.14 3cas n VAL 233 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 3cas h SER 234 N 0.00 0.00 -4.15 4.52 0.87 -2.02 -3.45 113.55 109.33 3cas h SER 234 Ca 0.00 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.05 3cas h SER 234 Cb 0.61 0.00 0.09 0.00 -0.44 0.00 0.00 62.40 62.66 3cas h SER 234 CO 0.00 0.37 0.40 -0.94 -0.53 0.00 0.00 176.83 176.13 3cas s SER 235 N -6.72 5.35 0.23 6.23 1.04 0.04 -4.98 113.70 114.88 3cas s SER 235 Ca -0.02 2.10 -0.30 0.00 0.48 0.00 0.00 55.95 58.21 3cas s SER 235 Cb 0.13 -2.57 -0.09 0.00 0.10 0.00 0.00 66.02 63.60 3cas s SER 235 CO 0.70 -1.47 1.12 -2.16 0.98 0.00 0.00 173.24 172.42 3cas s PRO 236 N -3.71 4.59 0.23 4.02 0.04 -1.26 -4.97 135.00 133.95 3cas s PRO 236 Ca 0.70 1.80 -0.31 0.00 0.04 0.00 0.00 61.00 63.23 3cas s PRO 236 Cb -0.23 -3.23 -0.11 0.00 0.04 0.00 0.00 34.50 30.98 3cas s PRO 236 CO 0.35 0.09 1.56 -1.25 0.04 0.00 0.00 177.00 177.79 3cas s PRO 237 N -0.82 4.19 0.23 0.56 0.04 -1.26 -4.92 135.00 133.02 3cas s PRO 237 Ca 0.48 2.45 -0.06 0.00 0.04 0.00 0.00 61.00 63.91 3cas s PRO 237 Cb -0.31 -3.09 0.39 0.00 0.04 0.00 0.00 34.50 31.52 3cas s PRO 237 CO 0.38 -0.58 1.76 1.25 0.04 0.00 0.00 177.00 179.84 3cas h LEU 238 N 5.69 0.37 0.00 -3.56 5.85 -1.89 -2.14 115.31 119.63 3cas h LEU 238 Ca -0.45 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3cas h LEU 238 Cb 1.21 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3cas h LEU 238 CO 0.84 0.19 0.00 0.18 -0.34 0.00 0.00 178.44 179.31 3cas n LEU 239 N -4.93 0.00 -0.68 2.25 4.77 -1.26 -2.26 117.00 114.89 3cas n LEU 239 Ca 0.12 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.19 3cas n LEU 239 Cb 0.33 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.50 3cas n LEU 239 CO 0.22 0.00 0.52 0.29 -1.33 0.00 0.00 177.39 177.09 3cas n LYS 240 N -0.78 1.37 -1.68 3.23 4.76 -0.81 -4.84 118.16 119.41 3cas n LYS 240 Ca 0.10 -1.53 -0.45 0.00 -2.87 0.00 0.00 58.31 53.57 3cas n LYS 240 Cb 0.04 -1.32 -0.04 0.00 -1.84 0.00 0.00 35.03 31.87 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 0.94 3.51 -0.24 4.39 -0.08 -0.96 -4.90 116.55 119.21 3cas n ASP 241 Ca 0.10 1.05 -0.01 0.00 -1.51 0.00 0.00 54.79 54.41 3cas n ASP 241 Cb 0.42 -1.47 0.10 0.00 2.34 0.00 0.00 41.12 42.51 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 6.99 0.93 -0.55 -1.67 0.00 -1.94 -1.32 119.26 121.70 3cas h ALA 242 Ca -0.45 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 3cas h ALA 242 Cb 1.24 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3cas h ALA 242 CO 0.92 0.08 -0.03 1.25 0.00 0.00 0.00 179.25 181.47 3cas h LEU 243 N 0.72 0.98 -0.65 0.00 5.85 -1.99 -0.14 115.31 120.09 3cas h LEU 243 Ca 0.31 -0.32 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 3cas h LEU 243 Cb 0.19 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3cas h LEU 243 CO -0.18 1.06 0.07 -0.07 -0.34 0.00 0.00 178.44 178.97 3cas h LEU 244 N 0.87 1.06 -0.49 2.25 3.38 -1.86 -0.35 115.31 120.17 3cas h LEU 244 Ca 0.15 -0.28 -0.17 0.00 0.09 0.00 0.00 57.88 57.68 3cas h LEU 244 Cb 0.57 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3cas h LEU 244 CO 0.03 1.07 -0.62 0.78 0.09 0.00 0.00 178.44 179.80 3cas h ASN 245 N 1.01 0.54 -0.22 -0.43 2.35 -1.15 -1.73 115.58 115.94 3cas h ASN 245 Ca 0.19 -0.31 -0.05 0.00 -0.55 0.00 0.00 56.30 55.58 3cas h ASN 245 Cb 0.49 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 3cas h ASN 245 CO 0.02 1.02 -0.07 -1.28 -1.65 0.00 0.00 177.43 175.47 3cas h SER 246 N 0.35 0.44 -0.74 5.81 0.87 -0.85 -2.45 113.55 116.98 3cas h SER 246 Ca -0.01 -0.38 -0.01 0.00 -1.23 0.00 0.00 61.79 60.16 3cas h SER 246 Cb 1.17 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.97 3cas h SER 246 CO 0.11 0.73 0.43 -0.07 -0.53 0.00 0.00 176.83 177.50 3cas h LEU 247 N 0.16 0.91 -0.69 2.23 4.07 -1.04 -2.39 115.31 118.56 3cas h LEU 247 Ca 0.05 -0.06 0.04 0.00 0.08 0.00 0.00 57.88 57.99 3cas h LEU 247 Cb 0.54 -0.23 -0.05 0.00 1.08 0.00 0.00 40.66 42.01 3cas h LEU 247 CO 0.03 0.72 0.41 1.23 -1.08 0.00 0.00 178.44 179.75 3cas h GLY 248 N 1.07 1.00 0.84 0.83 0.00 -1.05 -1.89 103.07 103.87 3cas h GLY 248 Ca 0.27 -0.30 0.04 0.00 0.00 0.00 0.00 47.33 47.34 3cas h GLY 248 CO -0.05 0.23 0.61 0.50 0.00 0.00 0.00 176.54 177.84 3cas h LYS 249 N 0.79 1.13 -0.53 4.80 1.79 -0.97 0.40 116.57 123.98 3cas h LYS 249 Ca 0.29 -0.07 0.07 0.00 -2.18 0.00 0.00 60.65 58.76 3cas h LYS 249 Cb 0.08 -0.25 -0.06 0.00 -1.58 0.00 0.00 32.23 30.42 3cas h LYS 249 CO -0.13 0.74 0.20 -0.09 -1.08 0.00 0.00 179.45 179.09 3cas h ARG 250 N 1.16 0.37 -0.37 3.15 2.43 -1.09 -2.67 114.38 117.36 3cas h ARG 250 Ca 0.38 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 3cas h ARG 250 Cb 0.05 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3cas h ARG 250 CO -0.14 0.25 0.00 0.66 -1.51 0.00 0.00 179.97 179.23 3cas n TYR 251 N -4.99 0.48 -3.57 2.20 4.02 -0.98 -4.95 117.16 109.37 3cas n TYR 251 Ca 0.06 -0.25 -0.22 0.00 -0.01 0.00 0.00 57.90 57.48 3cas n TYR 251 Cb 0.21 -0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.61 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 1.45 -4.93 -4.49 7.72 5.15 0.10 -5.01 115.26 115.24 3cas n ASN 252 Ca 0.19 -0.58 -0.24 0.00 -0.60 0.00 0.00 54.58 53.35 3cas n ASN 252 Cb 0.60 -4.97 -0.10 0.00 -0.53 0.00 0.00 39.78 34.77 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 -6.05 1.70 0.51 1.20 -0.14 0.93 -5.00 119.74 112.89 3cas s LYS 253 Ca 0.41 -1.87 -0.04 0.00 -1.36 0.00 0.00 55.97 53.11 3cas s LYS 253 Cb -0.18 -1.45 -0.01 0.00 -1.68 0.00 0.00 37.83 34.50 3cas s LYS 253 CO 0.74 0.09 0.81 0.95 -0.76 0.00 0.00 175.35 177.18 3cas s THR 254 N -2.80 4.32 0.38 2.17 -4.23 -1.26 -4.06 115.64 110.16 3cas s THR 254 Ca 0.31 0.01 0.07 0.00 -1.18 0.00 0.00 61.69 60.90 3cas s THR 254 Cb 0.03 -3.66 0.29 0.00 1.34 0.00 0.00 72.50 70.50 3cas s THR 254 CO 0.14 -0.63 1.99 0.00 -0.54 0.00 0.00 174.62 175.59 3cas h ALA 255 N 0.11 1.72 -0.52 3.99 0.00 -1.89 -1.61 119.26 121.08 3cas h ALA 255 Ca -0.46 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 3cas h ALA 255 Cb 1.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3cas h ALA 255 CO 0.61 0.19 0.18 0.00 0.00 0.00 0.00 179.25 180.23 3cas h ALA 256 N 1.65 0.68 -0.07 0.00 0.00 -1.92 -2.23 119.26 117.38 3cas h ALA 256 Ca 0.26 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3cas h ALA 256 Cb 0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3cas h ALA 256 CO -0.07 0.32 -0.18 1.96 0.00 0.00 0.00 179.25 181.28 3cas h GLN 257 N 0.71 0.11 -0.12 0.00 4.20 -1.67 -1.90 115.11 116.43 3cas h GLN 257 Ca 0.17 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.77 3cas h GLN 257 Cb 0.25 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3cas h GLN 257 CO -0.01 0.29 -0.24 0.82 -0.67 0.00 0.00 178.83 179.02 3cas h ILE 258 N 0.10 1.38 -0.53 2.54 1.08 -1.07 -2.05 117.51 118.96 3cas h ILE 258 Ca 0.02 -1.51 -0.06 0.00 -0.39 0.00 0.00 64.86 62.92 3cas h ILE 258 Cb 0.38 2.05 -0.02 0.00 -3.07 0.00 0.00 36.82 36.15 3cas h ILE 258 CO 0.03 0.44 0.07 -0.37 -0.69 0.00 0.00 178.15 177.63 3cas h VAL 259 N -0.03 1.24 -0.35 1.67 -1.51 -1.21 -0.35 116.25 115.71 3cas h VAL 259 Ca 0.01 -0.92 -0.07 0.00 -1.23 0.00 0.00 66.70 64.48 3cas h VAL 259 Cb 0.83 0.76 -0.01 0.00 -2.13 0.00 0.00 31.29 30.73 3cas h VAL 259 CO 0.05 0.34 -0.05 -0.07 -1.23 0.00 0.00 177.57 176.61 3cas h LEU 260 N 0.80 0.64 -0.82 4.19 3.38 -1.36 -2.71 115.31 119.44 3cas h LEU 260 Ca 0.17 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 3cas h LEU 260 Cb 0.38 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3cas h LEU 260 CO 0.01 0.83 0.27 -0.09 0.09 0.00 0.00 178.44 179.55 3cas h ARG 261 N 0.44 1.14 -0.49 1.13 9.65 -1.10 -2.36 114.38 122.79 3cas h ARG 261 Ca 0.09 -0.22 0.09 0.00 -1.10 0.00 0.00 59.98 58.83 3cas h ARG 261 Cb 0.54 -0.18 -0.07 0.00 -1.39 0.00 0.00 29.97 28.87 3cas h ARG 261 CO 0.03 0.95 0.08 0.35 2.80 0.00 0.00 179.97 184.17 3cas h PHE 262 N 1.10 0.12 -0.05 2.20 3.57 -0.85 -0.04 116.94 122.99 3cas h PHE 262 Ca 0.25 0.03 -0.24 0.00 3.53 0.00 0.00 57.97 61.54 3cas h PHE 262 Cb 0.26 0.02 0.01 0.00 2.79 0.00 0.00 35.95 39.03 3cas h PHE 262 CO 0.02 -0.03 -0.93 -0.91 -2.23 0.00 0.00 178.31 174.23 3cas h ASN 263 N 0.21 0.81 0.87 0.41 2.35 -1.30 -3.17 115.58 115.77 3cas h ASN 263 Ca 0.25 -0.61 -0.08 0.00 -0.55 0.00 0.00 56.30 55.31 3cas h ASN 263 Cb 0.34 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 3cas h ASN 263 CO -0.34 1.41 -0.38 0.16 -1.65 0.00 0.00 177.43 176.63 3cas h ILE 264 N 0.39 0.88 0.00 2.81 3.07 -1.25 0.23 117.51 123.63 3cas h ILE 264 Ca -0.09 -1.54 -0.01 0.00 1.55 0.00 0.00 64.86 64.77 3cas h ILE 264 Cb 1.57 1.95 -0.00 0.00 -0.27 0.00 0.00 36.82 40.07 3cas h ILE 264 CO 0.18 0.37 -0.03 -0.61 -1.05 0.00 0.00 178.15 177.01 3cas h GLN 265 N 0.00 0.00 -0.69 0.16 4.15 -1.01 -2.53 115.11 115.19 3cas h GLN 265 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3cas h GLN 265 Cb 0.92 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.61 3cas h GLN 265 CO 0.05 0.03 0.00 2.89 -1.93 0.00 0.00 178.83 179.87 3cas n ARG 266 N -3.13 3.34 -0.95 1.69 1.85 -1.04 -4.94 116.66 113.47 3cas n ARG 266 Ca 0.01 -2.81 0.00 0.00 -1.00 0.00 0.00 57.85 54.05 3cas n ARG 266 Cb 0.35 -1.76 0.00 0.00 -1.05 0.00 0.00 32.46 29.99 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 1.34 0.48 3.59 2.89 0.00 -0.95 -5.04 105.19 107.50 3cas n GLY 267 Ca 0.25 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 5.11 0.32 1.61 1.01 0.04 -4.73 120.40 121.76 3cas s VAL 268 Ca 0.00 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 3cas s VAL 268 Cb 0.00 -3.40 -0.10 0.00 0.00 0.00 0.00 36.38 32.87 3cas s VAL 268 CO 0.00 0.31 1.37 -0.69 0.00 0.00 0.00 175.10 176.09 3cas s VAL 269 N 1.40 2.60 -0.04 2.92 1.01 -0.76 -3.33 120.40 124.20 3cas s VAL 269 Ca 0.07 0.58 0.06 0.00 0.00 0.00 0.00 61.98 62.68 3cas s VAL 269 Cb -0.15 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 3cas s VAL 269 CO 0.07 0.13 -0.22 0.68 0.00 0.00 0.00 175.10 175.75 3cas s VAL 270 N -0.88 1.81 -0.51 2.92 -7.23 -0.55 0.80 120.40 116.77 3cas s VAL 270 Ca 0.52 -0.94 0.07 0.00 -1.81 0.00 0.00 61.98 59.82 3cas s VAL 270 Cb -0.41 -1.52 0.35 0.00 0.56 0.00 0.00 36.38 35.36 3cas s VAL 270 CO 0.52 0.51 0.91 2.30 -0.31 0.00 0.00 175.10 179.03 3cas n ILE 271 N 2.86 2.14 -1.71 -0.62 -5.35 -1.17 -0.94 119.36 114.58 3cas n ILE 271 Ca -0.17 -5.19 -0.43 0.00 -0.27 0.00 0.00 62.75 56.69 3cas n ILE 271 Cb 0.52 -1.03 -0.02 0.00 -1.74 0.00 0.00 39.64 37.37 3cas n ILE 271 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 3cas n PRO 272 N -0.13 2.32 -3.96 6.28 -0.04 -1.21 -2.94 135.00 135.33 3cas n PRO 272 Ca 0.29 0.82 -0.36 0.00 -0.04 0.00 0.00 63.50 64.22 3cas n PRO 272 Cb 0.50 -2.51 -0.08 0.00 -0.04 0.00 0.00 33.50 31.37 3cas n PRO 272 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3cas s LYS 273 N -0.91 3.62 -0.28 0.54 2.36 -1.26 -1.64 119.74 122.17 3cas s LYS 273 Ca 0.63 -0.24 -0.17 0.00 -2.55 0.00 0.00 55.97 53.64 3cas s LYS 273 Cb -0.57 -3.17 0.08 0.00 -1.05 0.00 0.00 37.83 33.12 3cas s LYS 273 CO 0.53 0.57 0.71 0.45 1.55 0.00 0.00 175.35 179.16 3cas s SER 274 N -0.45 -0.91 -0.18 1.43 0.15 -1.26 -4.94 113.70 107.54 3cas s SER 274 Ca 0.11 1.48 0.17 0.00 0.70 0.00 0.00 55.95 58.41 3cas s SER 274 Cb -0.12 1.39 0.52 0.00 -1.71 0.00 0.00 66.02 66.10 3cas s SER 274 CO 0.02 -0.24 1.41 0.49 1.20 0.00 0.00 173.24 176.12 3cas n PHE 275 N 4.14 0.91 -4.17 3.44 3.01 -1.26 -4.80 117.46 118.73 3cas n PHE 275 Ca -0.19 -0.90 -0.34 0.00 1.01 0.00 0.00 57.45 57.03 3cas n PHE 275 Cb 0.59 -0.31 -0.11 0.00 -0.01 0.00 0.00 39.48 39.63 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 -1.99 5.18 0.12 4.37 2.47 -1.26 -4.92 114.94 118.92 3cas s ASN 276 Ca 0.42 -0.05 -0.32 0.00 0.42 0.00 0.00 52.86 53.33 3cas s ASN 276 Cb 0.34 -1.87 -0.10 0.00 -1.45 0.00 0.00 41.25 38.17 3cas s ASN 276 CO 0.08 0.15 1.57 0.25 -3.72 0.00 0.00 177.10 175.43 3cas h LEU 277 N 6.85 -1.51 -0.41 3.21 5.85 -2.00 0.00 115.31 127.30 3cas h LEU 277 Ca -0.34 0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.58 3cas h LEU 277 Cb 1.18 0.59 -0.03 0.00 0.37 0.00 0.00 40.66 42.77 3cas h LEU 277 CO 0.66 -0.47 0.24 -0.33 -0.34 0.00 0.00 178.44 178.20 3cas h GLU 278 N -0.58 0.48 0.00 1.25 3.07 -2.00 -2.83 114.58 113.97 3cas h GLU 278 Ca 0.05 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.81 3cas h GLU 278 Cb 0.67 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 3cas h GLU 278 CO -0.39 0.32 -0.30 0.00 -1.40 0.00 0.00 179.01 177.23 3cas h ARG 279 N 0.49 0.00 -0.60 2.33 3.08 -1.93 0.10 114.38 117.84 3cas h ARG 279 Ca 0.16 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.13 3cas h ARG 279 Cb 0.01 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3cas h ARG 279 CO -0.07 0.30 0.07 0.82 -1.07 0.00 0.00 179.97 180.02 3cas h ILE 280 N 0.00 1.26 -0.18 2.04 2.04 -0.76 -1.99 117.51 119.92 3cas h ILE 280 Ca -0.00 -1.04 -0.17 0.00 1.00 0.00 0.00 64.86 64.64 3cas h ILE 280 Cb 0.71 0.76 0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3cas h ILE 280 CO 0.04 0.38 -0.56 0.50 0.00 0.00 0.00 178.15 178.51 3cas h LYS 281 N 0.92 0.70 -0.05 2.37 3.64 -1.29 -3.26 116.57 119.61 3cas h LYS 281 Ca 0.18 -0.51 0.02 0.00 -1.27 0.00 0.00 60.65 59.07 3cas h LYS 281 Cb 0.46 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 3cas h LYS 281 CO 0.02 1.13 -0.08 1.49 -2.27 0.00 0.00 179.45 179.74 3cas h GLU 282 N 0.41 -0.10 0.00 1.90 4.81 -0.85 -2.41 114.58 118.33 3cas h GLU 282 Ca -0.02 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3cas h GLU 282 Cb 1.19 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3cas h GLU 282 CO 0.12 -0.07 0.00 -0.91 -0.73 0.00 0.00 179.01 177.42 3cas h ASN 283 N -0.11 0.00 0.70 1.04 2.35 -1.43 -2.08 115.58 116.05 3cas h ASN 283 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3cas h ASN 283 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 3cas h ASN 283 CO -0.12 0.00 -0.98 0.33 -1.65 0.00 0.00 177.43 175.01 3cas n PHE 284 N -2.60 0.56 -1.51 1.19 7.35 -0.92 -4.52 117.46 117.01 3cas n PHE 284 Ca -0.02 0.16 -0.40 0.00 -0.76 0.00 0.00 57.45 56.44 3cas n PHE 284 Cb 0.07 -0.67 -0.02 0.00 0.35 0.00 0.00 39.48 39.21 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 -2.26 3.56 -0.54 -4.13 1.13 -0.78 -4.42 117.38 109.94 3cas n GLN 285 Ca 0.01 -2.45 0.06 0.00 -1.94 0.00 0.00 57.00 52.69 3cas n GLN 285 Cb 0.48 -2.91 0.14 0.00 0.11 0.00 0.00 30.24 28.05 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 3.81 1.54 0.09 5.09 -5.35 -1.26 -4.69 119.36 118.58 3cas n ILE 286 Ca 0.69 -2.23 0.01 0.00 -0.27 0.00 0.00 62.75 60.95 3cas n ILE 286 Cb 0.28 0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.20 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 -0.87 0.00 -0.53 4.28 3.72 -1.26 -4.64 117.46 118.15 3cas n PHE 287 Ca 0.14 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.62 3cas n PHE 287 Cb 0.74 0.00 0.34 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 -0.13 4.77 -3.55 4.37 5.75 -1.26 -4.85 116.55 121.64 3cas n ASP 288 Ca 0.01 -2.59 -0.08 0.00 -0.01 0.00 0.00 54.79 52.12 3cas n ASP 288 Cb 0.05 -0.60 -0.02 0.00 -1.03 0.00 0.00 41.12 39.52 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 -2.15 -0.34 0.04 2.11 -0.71 -1.26 -5.18 117.98 110.49 3cas s PHE 289 Ca 0.48 0.14 -0.00 0.00 -1.04 0.00 0.00 56.93 56.51 3cas s PHE 289 Cb 0.33 0.57 -0.03 0.00 -1.21 0.00 0.00 43.02 42.68 3cas s PHE 289 CO 0.19 -0.69 -0.04 -1.54 -1.34 0.00 0.00 175.22 171.80 3cas s SER 290 N -2.64 0.51 0.08 1.98 1.04 -1.26 -5.03 113.70 108.39 3cas s SER 290 Ca 0.06 -0.79 -0.12 0.00 0.48 0.00 0.00 55.95 55.58 3cas s SER 290 Cb -0.01 0.14 -0.06 0.00 0.10 0.00 0.00 66.02 66.19 3cas s SER 290 CO -0.07 -0.45 0.45 -0.76 0.98 0.00 0.00 173.24 173.39 3cas s LEU 291 N -2.32 4.37 0.77 2.42 1.43 -1.26 -5.08 118.68 119.01 3cas s LEU 291 Ca -0.02 0.91 -0.11 0.00 -1.03 0.00 0.00 54.13 53.88 3cas s LEU 291 Cb 0.00 -2.99 0.05 0.00 0.03 0.00 0.00 46.19 43.28 3cas s LEU 291 CO -0.05 0.18 1.09 0.42 0.23 0.00 0.00 176.35 178.21 3cas s THR 292 N -1.36 3.34 0.23 5.49 -4.23 -1.26 -4.78 115.64 113.07 3cas s THR 292 Ca 0.33 0.44 -0.07 0.00 -1.18 0.00 0.00 61.69 61.21 3cas s THR 292 Cb -0.15 -3.18 0.18 0.00 1.34 0.00 0.00 72.50 70.69 3cas s THR 292 CO 0.18 -0.57 1.80 -0.08 -0.54 0.00 0.00 174.62 175.40 3cas h GLU 293 N -0.98 0.66 -0.45 3.99 4.57 -1.99 0.48 114.58 120.86 3cas h GLU 293 Ca -0.46 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 57.61 3cas h GLU 293 Cb 1.25 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.67 3cas h GLU 293 CO 0.59 0.44 -0.03 0.93 -1.18 0.00 0.00 179.01 179.76 3cas h GLU 294 N 0.68 0.75 -0.28 1.92 3.07 -1.99 -1.07 114.58 117.66 3cas h GLU 294 Ca 0.35 -0.21 -0.06 0.00 -0.50 0.00 0.00 59.36 58.95 3cas h GLU 294 Cb 0.32 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 3cas h GLU 294 CO -0.24 0.77 -0.07 0.93 -1.40 0.00 0.00 179.01 179.01 3cas h GLU 295 N 0.69 0.53 -0.94 2.33 5.08 -1.57 -0.33 114.58 120.38 3cas h GLU 295 Ca 0.13 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3cas h GLU 295 Cb 0.47 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 3cas h GLU 295 CO 0.02 0.74 0.62 0.52 -1.00 0.00 0.00 179.01 179.92 3cas h MET 296 N 0.29 1.23 -0.01 2.33 2.86 -0.76 -0.86 114.93 120.01 3cas h MET 296 Ca 0.07 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3cas h MET 296 Cb 0.54 -0.28 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 3cas h MET 296 CO 0.03 0.81 0.01 -0.22 1.06 0.00 0.00 176.91 178.60 3cas h LYS 297 N 1.27 0.02 -0.70 1.72 1.63 -0.90 -1.28 116.57 118.32 3cas h LYS 297 Ca 0.35 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.14 3cas h LYS 297 Cb -0.13 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.47 3cas h LYS 297 CO -0.08 0.10 0.41 -0.44 -3.45 0.00 0.00 179.45 175.99 3cas h ASP 298 N -0.07 0.86 -0.40 4.20 3.32 -0.54 -1.90 116.42 121.89 3cas h ASP 298 Ca 0.00 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 3cas h ASP 298 Cb 0.09 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3cas h ASP 298 CO -0.00 0.69 0.05 0.40 -1.72 0.00 0.00 179.24 178.65 3cas h ILE 299 N 0.96 1.25 -0.93 0.35 2.04 -1.07 -2.72 117.51 117.40 3cas h ILE 299 Ca 0.25 -0.91 0.05 0.00 1.00 0.00 0.00 64.86 65.25 3cas h ILE 299 Cb 0.00 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 3cas h ILE 299 CO -0.04 0.31 0.60 -0.08 0.00 0.00 0.00 178.15 178.94 3cas h GLU 300 N 0.52 1.08 0.00 2.37 4.22 -1.06 -0.89 114.58 120.82 3cas h GLU 300 Ca 0.12 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.49 3cas h GLU 300 Cb 0.40 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3cas h GLU 300 CO 0.01 0.72 0.00 0.00 -2.18 0.00 0.00 179.01 177.56 3cas n ALA 301 N -2.39 1.39 0.75 2.92 0.00 -0.73 -1.87 120.51 120.58 3cas n ALA 301 Ca 0.13 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.67 3cas n ALA 301 Cb 0.15 -1.11 0.50 0.00 0.00 0.00 0.00 19.45 18.98 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 0.31 -4.65 0.00 4.77 -0.34 -4.85 117.00 110.83 3cas n LEU 302 Ca 0.02 0.54 -0.53 0.00 -0.03 0.00 0.00 56.01 56.02 3cas n LEU 302 Cb 0.07 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 40.65 3cas n LEU 302 CO 0.06 -0.15 1.49 -3.20 -1.33 0.00 0.00 177.39 174.26 3cas n ASN 303 N -1.80 2.75 -0.00 -1.43 5.15 -0.69 -4.45 115.26 114.78 3cas n ASN 303 Ca 0.06 0.90 0.10 0.00 -0.60 0.00 0.00 54.58 55.03 3cas n ASN 303 Cb 0.33 -1.25 -0.13 0.00 -0.53 0.00 0.00 39.78 38.20 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 6.48 0.16 -3.34 1.20 5.02 -0.08 -4.98 118.16 122.63 3cas n LYS 304 Ca 0.28 -0.05 -0.23 0.00 -2.02 0.00 0.00 58.31 56.29 3cas n LYS 304 Cb 0.21 -1.51 0.06 0.00 -0.02 0.00 0.00 35.03 33.78 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 -1.69 -6.30 -3.87 4.39 3.02 -1.15 -4.99 115.26 104.66 3cas n ASN 305 Ca 0.02 -0.43 -0.23 0.00 -0.03 0.00 0.00 54.58 53.91 3cas n ASN 305 Cb 0.39 -5.01 -0.17 0.00 -0.61 0.00 0.00 39.78 34.38 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 -3.26 0.68 0.32 2.41 1.01 -1.26 -5.10 120.40 115.21 3cas s VAL 306 Ca 0.46 -0.13 -0.16 0.00 0.00 0.00 0.00 61.98 62.15 3cas s VAL 306 Cb -0.20 -0.73 -0.09 0.00 0.00 0.00 0.00 36.38 35.36 3cas s VAL 306 CO 0.57 0.29 0.77 -0.13 0.00 0.00 0.00 175.10 176.59 3cas s ARG 307 N 1.40 4.07 0.01 2.72 0.52 -1.26 -4.63 118.95 121.78 3cas s ARG 307 Ca -0.03 0.76 0.01 0.00 -0.52 0.00 0.00 55.73 55.96 3cas s ARG 307 Cb -0.13 -2.46 -0.26 0.00 0.52 0.00 0.00 34.95 32.62 3cas s ARG 307 CO -0.03 0.16 0.88 0.74 0.02 0.00 0.00 175.30 177.07 3cas h PHE 308 N 2.35 0.29 -3.34 -0.53 0.05 -1.95 -3.42 116.94 110.39 3cas h PHE 308 Ca -0.48 -0.21 -0.73 0.00 3.82 0.00 0.00 57.97 60.37 3cas h PHE 308 Cb 1.18 -0.01 -0.30 0.00 2.00 0.00 0.00 35.95 38.82 3cas h PHE 308 CO 0.62 1.26 -0.35 0.08 -0.18 0.00 0.00 178.31 179.74 3cas s VAL 309 N -2.63 4.29 -0.28 -0.55 1.01 -1.26 -4.19 120.40 116.79 3cas s VAL 309 Ca -0.07 -1.92 0.22 0.00 0.00 0.00 0.00 61.98 60.21 3cas s VAL 309 Cb 0.08 -3.81 -0.29 0.00 0.00 0.00 0.00 36.38 32.36 3cas s VAL 309 CO 0.84 -0.80 0.62 -0.62 0.00 0.00 0.00 175.10 175.14 3cas n GLU 310 N 4.75 0.50 -3.94 2.72 1.02 -1.26 -5.00 120.64 119.43 3cas n GLU 310 Ca -0.05 -0.13 -0.26 0.00 -0.02 0.00 0.00 57.16 56.69 3cas n GLU 310 Cb 0.41 -1.53 -0.01 0.00 -0.02 0.00 0.00 31.44 30.28 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 -2.10 -2.34 0.27 -4.62 4.77 -1.26 -4.84 117.00 106.88 3cas n LEU 311 Ca -0.02 -0.97 0.11 0.00 -0.03 0.00 0.00 56.01 55.11 3cas n LEU 311 Cb 0.51 -2.30 0.75 0.00 -2.33 0.00 0.00 43.42 40.05 3cas n LEU 311 CO 0.45 0.42 1.05 -0.07 -1.33 0.00 0.00 177.39 177.90 3cas h LEU 312 N -1.82 0.00 -0.16 2.23 3.38 -1.95 -2.35 115.31 114.64 3cas h LEU 312 Ca -0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.35 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 0.63 0.05 0.00 1.15 0.09 0.00 0.00 178.44 180.36 3cas n MET 313 N -4.06 0.02 -0.46 1.13 0.00 -1.26 -1.71 117.12 110.78 3cas n MET 313 Ca -0.03 0.43 0.07 0.00 0.00 0.00 0.00 57.70 58.17 3cas n MET 313 Cb 0.14 -1.56 0.16 0.00 0.00 0.00 0.00 33.22 31.96 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 -1.60 0.00 0.32 3.17 8.01 -0.88 -4.80 117.44 121.65 3cas n TRP 314 Ca 0.01 -1.15 0.21 0.00 -1.31 0.00 0.00 57.50 55.26 3cas n TRP 314 Cb 0.07 -0.19 1.02 0.00 -2.01 0.00 0.00 31.31 30.19 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 0.56 0.00 0.00 -0.99 0.11 -1.43 -2.81 114.38 109.82 3cas h ARG 315 Ca -0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.06 3cas h ARG 315 Cb 1.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.17 3cas h ARG 315 CO 0.01 0.00 -0.81 -0.44 0.10 0.00 0.00 179.97 178.83 3cas h ASP 316 N 0.00 0.00 -2.72 0.08 3.32 -1.87 -3.46 116.42 111.77 3cas h ASP 316 Ca 0.00 -0.14 -0.57 0.00 0.02 0.00 0.00 57.03 56.34 3cas h ASP 316 Cb 0.19 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.81 3cas h ASP 316 CO 0.00 0.07 0.76 1.57 -1.72 0.00 0.00 179.24 179.92 3cas n HIS 317 N -2.34 2.41 -0.35 4.55 -0.00 -1.06 -4.83 115.22 113.60 3cas n HIS 317 Ca 0.02 0.31 0.32 0.00 0.46 0.00 0.00 57.72 58.83 3cas n HIS 317 Cb 0.48 -2.53 0.67 0.00 -0.12 0.00 0.00 29.99 28.49 3cas n HIS 317 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3cas h PRO 318 N 4.99 0.13 -0.60 1.57 0.11 -1.91 0.67 132.00 136.96 3cas h PRO 318 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3cas h PRO 318 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3cas h PRO 318 CO 0.81 0.09 0.00 0.39 -0.21 0.00 0.00 178.00 179.08 3cas n GLU 319 N -4.36 3.94 -1.68 1.05 -0.58 -1.26 -4.97 120.64 112.77 3cas n GLU 319 Ca 0.27 -2.93 -0.52 0.00 -0.42 0.00 0.00 57.16 53.57 3cas n GLU 319 Cb 1.18 -1.96 -0.06 0.00 -0.57 0.00 0.00 31.44 30.04 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 0.88 2.16 0.36 -0.32 9.36 0.22 -4.59 117.16 125.24 3cas n TYR 320 Ca 0.26 0.26 0.13 0.00 3.32 0.00 0.00 57.90 61.87 3cas n TYR 320 Cb 0.95 -2.55 0.29 0.00 -0.63 0.00 0.00 39.34 37.40 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 7.78 0.00 -0.80 2.98 0.13 -1.90 -3.38 132.00 136.80 3cas h PRO 321 Ca -0.47 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.46 3cas h PRO 321 Cb 1.29 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.31 3cas h PRO 321 CO 0.93 0.00 0.25 1.19 -0.23 0.00 0.00 178.00 180.14 3cas n PHE 322 N -2.80 2.13 0.03 1.56 3.72 -1.26 -4.24 117.46 116.60 3cas n PHE 322 Ca 0.04 -1.07 -0.22 0.00 -0.05 0.00 0.00 57.45 56.15 3cas n PHE 322 Cb 0.47 -0.62 -0.14 0.00 -0.94 0.00 0.00 39.48 38.24 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 2.26 0.58 -4.22 1.38 3.86 -1.98 -3.47 115.15 113.55 3cas h HIS 323 Ca 0.24 -0.42 -0.50 0.00 -1.16 0.00 0.00 60.37 58.53 3cas h HIS 323 Cb 2.12 -0.02 0.08 0.00 1.06 0.00 0.00 27.41 30.65 3cas h HIS 323 CO 1.12 1.75 0.37 -0.51 0.86 0.00 0.00 177.93 181.51 3cas s ASP 324 N -7.14 5.54 0.61 2.45 1.01 -1.26 -4.91 116.67 112.96 3cas s ASP 324 Ca -0.20 1.83 0.31 0.00 0.71 0.00 0.00 52.55 55.20 3cas s ASP 324 Cb 0.06 -2.53 1.79 0.00 1.01 0.00 0.00 42.92 43.25 3cas s ASP 324 CO 0.80 -1.34 2.13 -0.08 0.21 0.00 0.00 175.17 176.90 3cas h GLU 325 N 0.13 0.00 0.00 8.23 4.81 -1.93 -3.51 114.58 122.30 3cas h GLU 325 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3cas h GLU 325 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3cas h GLU 325 CO 0.56 0.00 0.00 2.48 -0.73 0.00 0.00 179.01 181.32