#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xil n THR 3 N 0.00 0.00 -0.75 -0.18 -2.24 -1.26 -4.25 114.28 105.59 2xil n THR 3 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 2xil n THR 3 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 2xil n THR 3 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2xil n LEU 4 N 0.00 0.47 -4.49 3.22 0.00 -1.26 -4.94 117.00 110.00 2xil n LEU 4 Ca 0.00 0.52 -0.34 0.00 0.00 0.00 0.00 56.01 56.19 2xil n LEU 4 Cb 0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 43.42 42.91 2xil n LEU 4 CO 0.00 -0.41 -0.37 -0.69 0.00 0.00 0.00 177.39 175.92 2xil s VAL 5 N 1.17 3.73 -0.29 1.96 1.01 -1.26 -4.81 120.40 121.92 2xil s VAL 5 Ca 0.45 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.01 2xil s VAL 5 Cb -0.64 -2.61 0.06 0.00 0.00 0.00 0.00 36.38 33.19 2xil s VAL 5 CO 0.35 0.52 -0.03 -1.00 0.00 0.00 0.00 175.10 174.93 2xil s HIS 6 N 0.15 3.32 -0.19 5.22 3.76 -1.26 -5.05 115.29 121.25 2xil s HIS 6 Ca -0.02 -2.18 -0.16 0.00 -0.15 0.00 0.00 55.06 52.54 2xil s HIS 6 Cb -0.14 -2.15 -0.04 0.00 1.11 0.00 0.00 32.58 31.36 2xil s HIS 6 CO 0.03 -0.86 0.40 0.08 -0.85 0.00 0.00 174.74 173.55 2xil s VAL 7 N 1.15 5.21 0.19 -0.90 1.01 -1.26 -0.18 120.40 125.62 2xil s VAL 7 Ca -0.05 0.73 -0.33 0.00 0.00 0.00 0.00 61.98 62.33 2xil s VAL 7 Cb -0.20 -3.73 -0.13 0.00 0.00 0.00 0.00 36.38 32.32 2xil s VAL 7 CO -0.03 0.28 1.65 0.00 0.00 0.00 0.00 175.10 176.99 2xil n ALA 8 N 4.27 2.17 -3.88 5.51 0.00 -0.49 -4.89 120.51 123.20 2xil n ALA 8 Ca -0.08 0.42 -0.29 0.00 0.00 0.00 0.00 53.44 53.49 2xil n ALA 8 Cb 0.51 -2.44 -0.16 0.00 0.00 0.00 0.00 19.45 17.36 2xil n ALA 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2xil s SER 9 N 1.03 3.05 0.25 0.00 0.15 0.25 -4.66 113.70 113.77 2xil s SER 9 Ca 0.76 -0.79 -0.30 0.00 0.70 0.00 0.00 55.95 56.32 2xil s SER 9 Cb -0.58 -0.94 -0.11 0.00 -1.71 0.00 0.00 66.02 62.68 2xil s SER 9 CO 0.35 -0.21 1.57 -0.69 1.20 0.00 0.00 173.24 175.46 2xil s VAL 10 N 1.61 2.28 0.21 4.45 1.01 -1.26 -4.26 120.40 124.44 2xil s VAL 10 Ca -0.01 0.23 -0.32 0.00 0.00 0.00 0.00 61.98 61.88 2xil s VAL 10 Cb -0.16 -3.14 -0.14 0.00 0.00 0.00 0.00 36.38 32.94 2xil s VAL 10 CO -0.07 0.03 1.44 -0.62 0.00 0.00 0.00 175.10 175.87 2xil n GLU 11 N 2.68 2.00 -1.68 2.72 4.71 -1.26 -4.65 120.64 125.16 2xil n GLU 11 Ca 0.10 0.72 -0.46 0.00 -0.01 0.00 0.00 57.16 57.50 2xil n GLU 11 Cb 0.38 -2.39 -0.04 0.00 -1.01 0.00 0.00 31.44 28.37 2xil n GLU 11 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 2xil n LYS 12 N 2.36 2.37 -0.96 3.49 4.81 -1.26 -1.51 118.16 127.46 2xil n LYS 12 Ca 0.13 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.44 2xil n LYS 12 Cb 0.30 -2.74 0.00 0.00 0.02 0.00 0.00 35.03 32.61 2xil n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2xil n GLY 13 N 4.35 0.97 3.85 3.14 0.00 -1.26 -5.01 105.19 111.22 2xil n GLY 13 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 2xil n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2xil s ARG 14 N -0.04 3.98 0.02 1.61 1.81 -0.57 -5.07 118.95 120.69 2xil s ARG 14 Ca 0.00 0.71 0.00 0.00 -1.72 0.00 0.00 55.73 54.73 2xil s ARG 14 Cb 0.00 -2.36 -0.00 0.00 -0.45 0.00 0.00 34.95 32.14 2xil s ARG 14 CO 0.00 0.05 0.02 -1.13 -0.68 0.00 0.00 175.30 173.56 2xil n SER 15 N -0.72 -0.04 -0.25 0.23 3.41 -1.26 -4.88 113.62 110.11 2xil n SER 15 Ca 0.04 -1.13 0.05 0.00 -0.26 0.00 0.00 58.87 57.57 2xil n SER 15 Cb 0.54 0.10 0.18 0.00 -0.26 0.00 0.00 64.21 64.77 2xil n SER 15 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 2xil h TYR 16 N 1.06 0.41 -0.91 7.33 3.20 -1.99 -1.86 116.97 124.21 2xil h TYR 16 Ca -0.01 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.94 2xil h TYR 16 Cb 0.07 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.21 2xil h TYR 16 CO 0.00 0.01 0.58 1.05 -1.64 0.00 0.00 178.16 178.16 2xil h GLU 17 N 0.37 1.05 -0.39 1.82 4.11 -1.98 0.11 114.58 119.67 2xil h GLU 17 Ca 0.40 -0.06 0.01 0.00 0.07 0.00 0.00 59.36 59.78 2xil h GLU 17 Cb 0.64 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2xil h GLU 17 CO -0.44 0.70 0.24 -0.44 0.07 0.00 0.00 179.01 179.14 2xil h ASP 18 N 1.09 0.40 1.03 3.06 5.19 -1.74 -1.33 116.42 124.10 2xil h ASP 18 Ca 0.38 -0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.69 2xil h ASP 18 Cb 0.10 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 2xil h ASP 18 CO -0.15 0.29 -0.47 -0.26 -3.12 0.00 0.00 179.24 175.53 2xil h PHE 19 N 0.49 0.00 -0.18 4.55 -1.00 -1.01 -2.26 116.94 117.53 2xil h PHE 19 Ca 0.15 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.83 2xil h PHE 19 Cb -0.02 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 2xil h PHE 19 CO -0.06 0.47 -0.31 0.37 -1.61 0.00 0.00 178.31 177.16 2xil h GLN 20 N 0.00 0.35 -0.65 1.51 5.75 -0.49 0.52 115.11 122.10 2xil h GLN 20 Ca -0.00 -0.14 -0.06 0.00 -0.15 0.00 0.00 58.65 58.29 2xil h GLN 20 Cb 1.11 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.62 2xil h GLN 20 CO 0.06 0.64 0.16 0.87 -2.65 0.00 0.00 178.83 177.90 2xil h LYS 21 N 0.31 1.02 -0.20 1.69 1.57 -0.67 0.12 116.57 120.40 2xil h LYS 21 Ca 0.04 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.52 2xil h LYS 21 Cb 0.71 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 2xil h LYS 21 CO 0.05 0.91 -0.15 0.28 -0.57 0.00 0.00 179.45 179.97 2xil h VAL 22 N 0.97 1.32 -0.55 0.50 2.07 -1.04 -1.26 116.25 118.26 2xil h VAL 22 Ca 0.21 -1.26 0.09 0.00 0.82 0.00 0.00 66.70 66.55 2xil h VAL 22 Cb 0.35 1.70 -0.11 0.00 -1.52 0.00 0.00 31.29 31.71 2xil h VAL 22 CO 0.00 0.38 -0.40 0.22 0.02 0.00 0.00 177.57 177.80 2xil h TYR 23 N 0.14 -1.15 -0.86 1.57 3.20 -0.76 -1.00 116.97 118.11 2xil h TYR 23 Ca 0.04 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2xil h TYR 23 Cb 0.67 0.58 -0.04 0.00 1.54 0.00 0.00 36.73 39.48 2xil h TYR 23 CO 0.07 -0.41 0.55 -0.91 -1.64 0.00 0.00 178.16 175.82 2xil h ASN 24 N -0.22 1.01 -0.52 -2.11 -0.26 -0.46 0.15 115.58 113.16 2xil h ASN 24 Ca 0.19 -0.04 -0.06 0.00 -0.56 0.00 0.00 56.30 55.83 2xil h ASN 24 Cb 0.56 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.55 2xil h ASN 24 CO -0.67 0.75 0.08 0.00 -1.06 0.00 0.00 177.43 176.53 2xil h ALA 25 N 1.43 0.69 -0.54 -0.83 0.00 -0.43 0.17 119.26 119.75 2xil h ALA 25 Ca 0.31 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2xil h ALA 25 Cb -0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 2xil h ALA 25 CO -0.06 0.43 0.36 0.82 0.00 0.00 0.00 179.25 180.79 2xil h ILE 26 N 0.75 1.14 -0.44 0.00 2.04 -0.64 -1.71 117.51 118.64 2xil h ILE 26 Ca 0.16 -0.27 -0.13 0.00 1.00 0.00 0.00 64.86 65.61 2xil h ILE 26 Cb 0.41 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2xil h ILE 26 CO 0.01 0.14 -0.25 0.00 0.00 0.00 0.00 178.15 178.05 2xil h ALA 27 N 1.19 0.71 -0.39 1.87 0.00 -0.30 -0.73 119.26 121.61 2xil h ALA 27 Ca 0.20 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 2xil h ALA 27 Cb -0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2xil h ALA 27 CO -0.04 0.67 -0.09 -0.07 0.00 0.00 0.00 179.25 179.72 2xil h LEU 28 N 0.80 0.66 -0.67 0.00 3.38 -0.57 -1.98 115.31 116.93 2xil h LEU 28 Ca 0.10 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 2xil h LEU 28 Cb 0.82 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2xil h LEU 28 CO 0.07 0.78 -0.60 0.50 0.09 0.00 0.00 178.44 179.29 2xil h LYS 29 N 0.62 0.22 -0.80 1.13 3.64 -0.98 -0.86 116.57 119.54 2xil h LYS 29 Ca 0.11 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2xil h LYS 29 Cb 0.52 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.32 2xil h LYS 29 CO 0.03 0.75 0.50 -0.07 -2.27 0.00 0.00 179.45 178.40 2xil h LEU 30 N 0.17 0.94 -0.50 5.20 3.38 -0.84 -0.11 115.31 123.55 2xil h LEU 30 Ca -0.01 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 2xil h LEU 30 Cb 1.09 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2xil h LEU 30 CO 0.09 0.71 -0.32 -0.09 0.09 0.00 0.00 178.44 178.92 2xil h ARG 31 N 1.09 0.88 -0.05 1.13 2.43 -1.07 -3.34 114.38 115.46 2xil h ARG 31 Ca 0.29 -0.42 -0.13 0.00 -0.81 0.00 0.00 59.98 58.90 2xil h ARG 31 Cb -0.08 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2xil h ARG 31 CO -0.06 1.07 -0.49 1.49 -1.51 0.00 0.00 179.97 180.48 2xil h GLU 32 N 0.74 0.42 -2.12 0.20 4.57 -0.63 -3.31 114.58 114.44 2xil h GLU 32 Ca 0.08 -0.38 -0.59 0.00 -1.18 0.00 0.00 59.36 57.28 2xil h GLU 32 Cb 0.89 0.09 -0.18 0.00 -0.16 0.00 0.00 28.75 29.39 2xil h GLU 32 CO 0.08 1.03 0.88 -0.25 -1.18 0.00 0.00 179.01 179.57 2xil n ASP 33 N -4.28 6.94 0.07 1.04 10.43 -0.10 -4.68 116.55 125.96 2xil n ASP 33 Ca -0.09 -3.30 0.11 0.00 2.57 0.00 0.00 54.79 54.08 2xil n ASP 33 Cb 0.60 -1.23 0.45 0.00 1.84 0.00 0.00 41.12 42.78 2xil n ASP 33 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 2xil n ASP 34 N 0.80 0.42 0.11 -2.24 5.75 -1.25 -3.41 116.55 116.73 2xil n ASP 34 Ca 0.52 0.57 0.13 0.00 -0.01 0.00 0.00 54.79 56.00 2xil n ASP 34 Cb 0.44 -0.67 0.38 0.00 -1.03 0.00 0.00 41.12 40.24 2xil n ASP 34 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 2xil h GLU 35 N 0.00 0.00 -6.50 0.11 9.09 -1.91 -3.31 114.58 112.06 2xil h GLU 35 Ca 0.00 0.00 -0.61 0.00 0.05 0.00 0.00 59.36 58.80 2xil h GLU 35 Cb 0.45 0.00 0.09 0.00 -1.65 0.00 0.00 28.75 27.65 2xil h GLU 35 CO 0.00 0.00 0.35 0.98 0.05 0.00 0.00 179.01 180.39 2xil n TYR 36 N -2.31 1.64 -3.41 2.06 4.19 -1.22 -1.49 117.16 116.62 2xil n TYR 36 Ca 0.05 0.60 -0.19 0.00 3.31 0.00 0.00 57.90 61.68 2xil n TYR 36 Cb 0.44 -2.34 0.06 0.00 0.49 0.00 0.00 39.34 38.00 2xil n TYR 36 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 2xil n ASP 37 N 1.67 -4.79 -3.96 2.98 -0.08 -1.26 -0.87 116.55 110.23 2xil n ASP 37 Ca 0.11 -0.76 -0.27 0.00 -1.51 0.00 0.00 54.79 52.36 2xil n ASP 37 Cb 0.30 -4.75 -0.01 0.00 2.34 0.00 0.00 41.12 39.00 2xil n ASP 37 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2xil n ASN 38 N -3.10 -1.39 -0.76 1.67 3.02 -1.16 -1.48 115.26 112.06 2xil n ASN 38 Ca -0.15 -0.96 -0.10 0.00 -0.03 0.00 0.00 54.58 53.34 2xil n ASN 38 Cb 0.63 -3.22 -0.04 0.00 -0.61 0.00 0.00 39.78 36.54 2xil n ASN 38 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2xil n TYR 39 N -4.41 0.00 0.06 3.10 4.01 -0.55 -4.86 117.16 114.50 2xil n TYR 39 Ca -0.21 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.48 2xil n TYR 39 Cb 0.64 -2.01 0.12 0.00 -0.31 0.00 0.00 39.34 37.78 2xil n TYR 39 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 2xil h ILE 40 N 0.00 1.35 0.00 -0.72 2.04 -0.62 -3.47 117.51 116.09 2xil h ILE 40 Ca -0.20 -1.81 0.00 0.00 1.00 0.00 0.00 64.86 63.84 2xil h ILE 40 Cb 0.73 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 2xil h ILE 40 CO 0.30 0.55 0.00 0.61 0.00 0.00 0.00 178.15 179.60 2xil n GLY 41 N 0.15 -0.75 0.09 5.37 0.00 -0.05 -4.61 105.19 105.38 2xil n GLY 41 Ca -0.02 -1.68 0.15 0.00 0.00 0.00 0.00 46.02 44.47 2xil n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2xil n TYR 42 N -0.85 0.00 0.04 1.61 4.02 -1.26 -4.38 117.16 116.35 2xil n TYR 42 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.73 2xil n TYR 42 Cb 0.00 -0.13 -0.10 0.00 -0.02 0.00 0.00 39.34 39.09 2xil n TYR 42 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2xil h GLY 43 N 4.97 -1.12 0.71 2.72 0.00 -1.93 -1.58 103.07 106.85 2xil h GLY 43 Ca 0.00 0.67 0.05 0.00 0.00 0.00 0.00 47.33 48.04 2xil h GLY 43 CO 0.00 -0.22 0.25 -2.55 0.00 0.00 0.00 176.54 174.02 2xil h PRO 44 N -0.66 0.47 0.00 4.80 0.11 -1.88 -1.43 132.00 133.42 2xil h PRO 44 Ca 0.02 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.01 2xil h PRO 44 Cb 0.72 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 2xil h PRO 44 CO -0.38 0.31 -0.40 -0.24 -0.21 0.00 0.00 178.00 177.09 2xil h VAL 45 N 0.49 1.26 -0.53 3.15 3.04 -1.79 -0.42 116.25 121.45 2xil h VAL 45 Ca 0.22 -1.38 -0.11 0.00 -1.01 0.00 0.00 66.70 64.42 2xil h VAL 45 Cb 0.14 1.75 -0.02 0.00 -2.01 0.00 0.00 31.29 31.15 2xil h VAL 45 CO -0.16 0.39 -0.11 -0.07 -1.01 0.00 0.00 177.57 176.61 2xil h LEU 46 N 0.00 1.00 -0.18 3.16 3.38 -0.66 0.13 115.31 122.15 2xil h LEU 46 Ca -0.00 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.66 2xil h LEU 46 Cb 0.72 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2xil h LEU 46 CO 0.05 1.11 0.06 0.58 0.09 0.00 0.00 178.44 180.33 2xil h VAL 47 N 0.89 0.95 -0.54 1.22 2.07 -0.78 -1.27 116.25 118.79 2xil h VAL 47 Ca 0.14 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 2xil h VAL 47 Cb 0.67 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2xil h VAL 47 CO 0.05 0.03 0.16 -0.09 0.02 0.00 0.00 177.57 177.73 2xil h ARG 48 N 0.14 0.82 -0.40 1.57 2.43 -0.73 -1.86 114.38 116.35 2xil h ARG 48 Ca 0.08 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 2xil h ARG 48 Cb 0.05 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 2xil h ARG 48 CO -0.09 0.72 0.22 1.25 -1.51 0.00 0.00 179.97 180.56 2xil h LEU 49 N 0.79 0.50 -0.75 3.80 5.85 -0.47 -0.01 115.31 125.02 2xil h LEU 49 Ca 0.18 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.87 2xil h LEU 49 Cb 0.25 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 2xil h LEU 49 CO -0.01 0.45 0.44 0.00 -0.34 0.00 0.00 178.44 178.98 2xil h ALA 50 N 1.07 1.03 -0.13 1.25 0.00 -0.76 -0.52 119.26 121.21 2xil h ALA 50 Ca 0.14 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2xil h ALA 50 Cb 0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2xil h ALA 50 CO -0.02 0.13 -0.11 2.35 0.00 0.00 0.00 179.25 181.59 2xil h TRP 51 N 0.79 0.36 -0.06 0.00 -0.00 -0.96 -2.69 115.95 113.40 2xil h TRP 51 Ca 0.34 -0.10 -0.11 0.00 -0.00 0.00 0.00 58.89 59.02 2xil h TRP 51 Cb 0.21 -0.08 -0.01 0.00 -0.00 0.00 0.00 29.16 29.28 2xil h TRP 51 CO -0.06 0.69 -0.45 0.45 -0.00 0.00 0.00 178.44 179.07 2xil h HIS 52 N -0.08 0.16 0.00 2.65 3.86 -0.81 0.57 115.15 121.49 2xil h HIS 52 Ca 0.02 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 2xil h HIS 52 Cb 0.63 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 29.06 2xil h HIS 52 CO 0.08 0.56 -0.07 1.79 0.86 0.00 0.00 177.93 181.15 2xil h THR 53 N 0.11 0.16 0.04 2.45 1.35 -1.11 -3.21 112.91 112.69 2xil h THR 53 Ca 0.01 -0.89 -0.32 0.00 -0.55 0.00 0.00 66.41 64.65 2xil h THR 53 Cb 0.84 1.78 -0.04 0.00 -1.73 0.00 0.00 68.15 69.00 2xil h THR 53 CO 0.06 0.07 -1.88 -1.20 -0.25 0.00 0.00 175.52 172.33 2xil n SER 54 N -3.16 1.19 0.00 5.36 7.64 -0.87 -3.28 113.62 120.50 2xil n SER 54 Ca 0.02 0.30 0.12 0.00 1.01 0.00 0.00 58.87 60.32 2xil n SER 54 Cb 0.43 -0.21 0.71 0.00 -1.01 0.00 0.00 64.21 64.12 2xil n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2xil n GLY 55 N 1.72 -0.88 0.02 0.23 0.00 0.19 -2.54 105.19 103.93 2xil n GLY 55 Ca -0.23 -0.15 0.15 0.00 0.00 0.00 0.00 46.02 45.78 2xil n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2xil n THR 56 N -0.92 0.00 -1.78 2.61 -2.24 -1.25 -4.65 114.28 106.05 2xil n THR 56 Ca 0.18 -0.01 -0.39 0.00 -2.27 0.00 0.00 64.05 61.56 2xil n THR 56 Cb 0.08 -0.42 0.03 0.00 -2.10 0.00 0.00 70.33 67.93 2xil n THR 56 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2xil s TRP 57 N -2.60 2.34 -0.20 4.78 -0.00 -1.05 -4.20 118.94 118.01 2xil s TRP 57 Ca 0.27 1.33 0.01 0.00 -0.00 0.00 0.00 56.10 57.71 2xil s TRP 57 Cb 0.20 -3.85 0.04 0.00 -0.00 0.00 0.00 33.47 29.86 2xil s TRP 57 CO 0.48 -2.94 -0.13 0.34 -0.00 0.00 0.00 176.95 174.70 2xil s ASP 58 N -0.78 3.40 0.56 5.86 -1.08 -0.65 -4.63 116.67 119.36 2xil s ASP 58 Ca 0.68 -0.86 0.27 0.00 -0.52 0.00 0.00 52.55 52.12 2xil s ASP 58 Cb -0.42 -1.31 1.66 0.00 -1.46 0.00 0.00 42.92 41.39 2xil s ASP 58 CO 0.51 -0.11 2.19 0.07 0.52 0.00 0.00 175.17 178.35 2xil h LYS 59 N 7.95 0.00 -0.22 4.34 2.10 -1.78 0.61 116.57 129.58 2xil h LYS 59 Ca -0.31 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.24 2xil h LYS 59 Cb 1.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.42 2xil h LYS 59 CO 0.51 0.04 -0.29 0.45 -2.00 0.00 0.00 179.45 178.15 2xil h HIS 60 N 0.00 0.49 0.00 0.07 3.86 -1.93 -3.36 115.15 114.28 2xil h HIS 60 Ca -0.00 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 2xil h HIS 60 Cb 0.09 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.45 2xil h HIS 60 CO 0.00 0.69 0.00 -0.40 0.86 0.00 0.00 177.93 179.08 2xil n ASP 61 N -4.10 0.35 -2.48 2.45 5.68 -1.12 -4.79 116.55 112.54 2xil n ASP 61 Ca -0.01 -1.08 -0.20 0.00 -0.50 0.00 0.00 54.79 53.00 2xil n ASP 61 Cb 0.43 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.41 2xil n ASP 61 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 2xil n ASN 62 N -0.04 -5.75 -4.91 -1.12 5.15 0.19 -4.16 115.26 104.62 2xil n ASN 62 Ca 0.00 -0.11 -0.28 0.00 -0.60 0.00 0.00 54.58 53.59 2xil n ASN 62 Cb 0.26 -4.70 0.05 0.00 -0.53 0.00 0.00 39.78 34.86 2xil n ASN 62 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2xil s THR 63 N -3.05 3.06 0.00 -0.44 -4.23 -1.24 -4.87 115.64 104.87 2xil s THR 63 Ca 0.11 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 2xil s THR 63 Cb -0.05 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.49 2xil s THR 63 CO 0.13 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 2xil n GLY 64 N -2.92 1.01 0.00 3.99 0.00 -1.26 -1.63 105.19 104.38 2xil n GLY 64 Ca 0.07 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2xil n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xil n GLY 65 N 0.00 -0.32 0.26 -0.02 0.00 -1.26 -4.67 105.19 99.19 2xil n GLY 65 Ca 0.00 -1.72 0.15 0.00 0.00 0.00 0.00 46.02 44.44 2xil n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2xil h SER 66 N 0.00 0.00 -0.34 1.61 4.64 -1.72 -3.36 113.55 114.39 2xil h SER 66 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 2xil h SER 66 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 2xil h SER 66 CO 0.00 0.09 0.05 0.22 -0.87 0.00 0.00 176.83 176.31 2xil h TYR 67 N 0.00 0.07 0.00 4.77 3.20 -1.85 -3.11 116.97 120.05 2xil h TYR 67 Ca -0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2xil h TYR 67 Cb 0.51 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.80 2xil h TYR 67 CO 0.00 -0.01 -0.01 0.41 -1.64 0.00 0.00 178.16 176.92 2xil n GLY 68 N -1.23 -1.64 2.43 1.82 0.00 -1.26 -2.74 105.19 102.58 2xil n GLY 68 Ca 0.01 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 2xil n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xil n GLY 69 N 1.37 -0.18 0.00 -0.02 0.00 -1.18 -1.71 105.19 103.47 2xil n GLY 69 Ca 0.06 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.97 2xil n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2xil n THR 70 N -4.06 0.19 0.29 2.61 -2.24 -1.26 -3.04 114.28 106.77 2xil n THR 70 Ca -0.12 0.05 0.15 0.00 -2.27 0.00 0.00 64.05 61.85 2xil n THR 70 Cb 0.61 -0.64 0.91 0.00 -2.10 0.00 0.00 70.33 69.11 2xil n THR 70 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2xil h TYR 71 N 0.00 0.00 0.00 4.78 5.03 -1.93 -1.16 116.97 123.69 2xil h TYR 71 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2xil h TYR 71 Cb 0.21 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.49 2xil h TYR 71 CO 0.00 0.00 0.00 2.89 -1.32 0.00 0.00 178.16 179.73 2xil n ARG 72 N -3.84 0.01 -3.77 1.82 1.85 -1.17 -3.40 116.66 108.16 2xil n ARG 72 Ca -0.03 0.32 -0.34 0.00 -1.00 0.00 0.00 57.85 56.80 2xil n ARG 72 Cb 0.10 -1.52 -0.05 0.00 -1.05 0.00 0.00 32.46 29.94 2xil n ARG 72 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2xil s PHE 73 N -3.02 3.55 0.43 2.89 0.40 -0.44 -4.94 117.98 116.86 2xil s PHE 73 Ca 0.05 0.53 0.10 0.00 -0.60 0.00 0.00 56.93 57.01 2xil s PHE 73 Cb 0.07 -1.96 0.97 0.00 0.51 0.00 0.00 43.02 42.61 2xil s PHE 73 CO 0.21 0.58 2.06 1.57 0.70 0.00 0.00 175.22 180.34 2xil h LYS 74 N 3.68 0.42 -0.66 0.44 2.10 -1.87 -1.23 116.57 119.45 2xil h LYS 74 Ca -0.49 -0.03 0.04 0.00 -2.00 0.00 0.00 60.65 58.18 2xil h LYS 74 Cb 1.19 -0.09 -0.05 0.00 -0.90 0.00 0.00 32.23 32.37 2xil h LYS 74 CO 0.68 0.28 0.39 -0.22 -2.00 0.00 0.00 179.45 178.58 2xil h LYS 75 N 0.43 0.73 0.23 0.07 3.64 -1.93 0.93 116.57 120.67 2xil h LYS 75 Ca 0.16 -0.04 -0.33 0.00 -1.27 0.00 0.00 60.65 59.16 2xil h LYS 75 Cb 0.09 -0.16 0.03 0.00 -0.41 0.00 0.00 32.23 31.78 2xil h LYS 75 CO -0.04 0.48 -1.49 1.49 -2.27 0.00 0.00 179.45 177.63 2xil h GLU 76 N 0.75 0.49 0.00 1.90 4.81 -1.62 -2.86 114.58 118.05 2xil h GLU 76 Ca 0.28 -0.84 -0.02 0.00 -0.13 0.00 0.00 59.36 58.66 2xil h GLU 76 Cb 0.09 0.31 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 2xil h GLU 76 CO -0.14 1.40 -0.07 0.27 -0.73 0.00 0.00 179.01 179.74 2xil h PHE 77 N 0.09 0.00 -0.47 0.92 -5.15 -1.17 -2.10 116.94 109.06 2xil h PHE 77 Ca -0.27 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.50 2xil h PHE 77 Cb 2.11 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.28 2xil h PHE 77 CO 0.13 0.07 0.00 0.09 -2.00 0.00 0.00 178.31 176.60 2xil n ASN 78 N -3.17 2.87 -4.68 -0.68 3.02 0.31 -4.84 115.26 108.10 2xil n ASN 78 Ca 0.01 -2.10 -0.46 0.00 -0.03 0.00 0.00 54.58 52.00 2xil n ASN 78 Cb 0.39 -0.38 -0.04 0.00 -0.61 0.00 0.00 39.78 39.15 2xil n ASN 78 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2xil n ASP 79 N 0.85 3.28 -0.21 6.41 -0.08 -0.79 -4.85 116.55 121.15 2xil n ASP 79 Ca 0.17 1.06 0.17 0.00 -1.51 0.00 0.00 54.79 54.67 2xil n ASP 79 Cb 0.49 -1.44 0.49 0.00 2.34 0.00 0.00 41.12 43.00 2xil n ASP 79 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2xil h PRO 80 N 6.62 0.43 0.00 -0.67 0.11 -1.91 0.28 132.00 136.86 2xil h PRO 80 Ca -0.45 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 2xil h PRO 80 Cb 1.25 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2xil h PRO 80 CO 0.91 0.29 -0.02 0.77 -0.21 0.00 0.00 178.00 179.73 2xil h SER 81 N 0.44 0.00 -0.65 -2.05 0.02 -1.93 -2.48 113.55 106.91 2xil h SER 81 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 2xil h SER 81 Cb 0.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.53 2xil h SER 81 CO -0.16 0.02 0.00 0.59 -1.14 0.00 0.00 176.83 176.14 2xil n ASN 82 N -3.28 4.77 -4.69 3.07 3.02 0.97 -4.98 115.26 114.14 2xil n ASN 82 Ca -0.02 -2.45 -0.43 0.00 -0.03 0.00 0.00 54.58 51.64 2xil n ASN 82 Cb 0.14 -0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 38.69 2xil n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2xil n ALA 83 N 1.13 2.12 0.00 5.41 0.00 -0.94 -1.66 120.51 126.57 2xil n ALA 83 Ca 0.26 0.36 0.00 0.00 0.00 0.00 0.00 53.44 54.06 2xil n ALA 83 Cb 0.90 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.83 2xil n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xil n GLY 84 N 4.00 2.16 0.16 0.00 0.00 -1.26 -4.83 105.19 105.42 2xil n GLY 84 Ca 0.18 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.21 2xil n GLY 84 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2xil h LEU 85 N 0.00 0.00 -2.01 0.99 3.38 -1.70 -2.48 115.31 113.49 2xil h LEU 85 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 2xil h LEU 85 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2xil h LEU 85 CO 0.00 0.00 0.18 1.56 0.09 0.00 0.00 178.44 180.27 2xil h GLN 86 N 0.00 0.00 -0.68 1.13 7.50 -1.91 0.35 115.11 121.50 2xil h GLN 86 Ca 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 2xil h GLN 86 Cb 0.40 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.90 2xil h GLN 86 CO 0.00 0.00 0.37 -0.91 -1.50 0.00 0.00 178.83 176.79 2xil h ASN 87 N 0.00 0.85 -0.10 1.46 2.35 -1.85 -0.34 115.58 117.95 2xil h ASN 87 Ca 0.12 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2xil h ASN 87 Cb 0.48 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 2xil h ASN 87 CO -0.00 0.70 0.06 1.23 -1.65 0.00 0.00 177.43 177.77 2xil h GLY 88 N 0.93 0.14 1.05 2.83 0.00 -1.14 -1.43 103.07 105.44 2xil h GLY 88 Ca 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 2xil h GLY 88 CO -0.04 0.05 0.52 -2.75 0.00 0.00 0.00 176.54 174.33 2xil h PHE 89 N 0.12 1.22 -0.31 5.60 3.04 -1.08 -1.76 116.94 123.77 2xil h PHE 89 Ca 0.04 -0.02 -0.13 0.00 3.98 0.00 0.00 57.97 61.84 2xil h PHE 89 Cb 0.01 -0.40 -0.01 0.00 2.56 0.00 0.00 35.95 38.11 2xil h PHE 89 CO -0.07 0.83 -0.33 0.87 -2.02 0.00 0.00 178.31 177.59 2xil h LYS 90 N 1.26 0.68 -0.46 1.11 6.56 -0.89 -1.57 116.57 123.26 2xil h LYS 90 Ca 0.32 -0.31 0.06 0.00 -1.06 0.00 0.00 60.65 59.66 2xil h LYS 90 Cb -0.01 -0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 31.58 2xil h LYS 90 CO -0.06 0.91 0.15 0.35 -2.06 0.00 0.00 179.45 178.74 2xil h PHE 91 N 0.57 0.26 0.00 -1.35 3.04 -0.84 -2.90 116.94 115.72 2xil h PHE 91 Ca 0.06 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.04 2xil h PHE 91 Cb 0.84 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.30 2xil h PHE 91 CO 0.04 0.08 0.00 1.28 -2.02 0.00 0.00 178.31 177.69 2xil n LEU 92 N -5.03 0.44 0.01 0.59 4.77 -0.70 -3.96 117.00 113.12 2xil n LEU 92 Ca 0.04 0.55 -0.10 0.00 -0.03 0.00 0.00 56.01 56.47 2xil n LEU 92 Cb 0.19 -0.42 -0.04 0.00 -2.33 0.00 0.00 43.42 40.82 2xil n LEU 92 CO 0.24 -0.15 0.78 -0.33 -1.33 0.00 0.00 177.39 176.61 2xil h GLU 93 N 0.00 -0.15 -0.03 3.23 5.08 -1.10 0.72 114.58 122.33 2xil h GLU 93 Ca 0.00 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 2xil h GLU 93 Cb 0.58 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2xil h GLU 93 CO 0.00 -0.10 -0.15 -1.00 -1.00 0.00 0.00 179.01 176.76 2xil h PRO 94 N -0.15 0.05 -0.43 2.33 0.13 -1.75 -0.39 132.00 131.77 2xil h PRO 94 Ca 0.07 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.15 2xil h PRO 94 Cb 0.26 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.37 2xil h PRO 94 CO -0.18 0.20 0.11 0.82 -0.23 0.00 0.00 178.00 178.72 2xil h ILE 95 N 0.04 1.23 -0.33 -3.56 1.08 -1.48 -1.88 117.51 112.63 2xil h ILE 95 Ca 0.01 -0.79 -0.11 0.00 -0.39 0.00 0.00 64.86 63.58 2xil h ILE 95 Cb 0.30 0.92 -0.01 0.00 -3.07 0.00 0.00 36.82 34.96 2xil h ILE 95 CO 0.02 0.28 -0.25 -0.74 -0.69 0.00 0.00 178.15 176.77 2xil h HIS 96 N 0.57 0.74 -0.42 1.37 2.76 -0.18 -0.62 115.15 119.36 2xil h HIS 96 Ca 0.14 -0.17 -0.06 0.00 -2.20 0.00 0.00 60.37 58.07 2xil h HIS 96 Cb 0.31 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.07 2xil h HIS 96 CO 0.02 0.84 0.01 -0.22 -1.30 0.00 0.00 177.93 177.28 2xil h LYS 97 N 0.57 0.68 -0.00 5.26 3.64 -0.97 -1.52 116.57 124.23 2xil h LYS 97 Ca 0.08 -0.17 -0.15 0.00 -1.27 0.00 0.00 60.65 59.14 2xil h LYS 97 Cb 0.73 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 2xil h LYS 97 CO 0.06 0.70 -0.73 1.49 -2.27 0.00 0.00 179.45 178.70 2xil h GLU 98 N 0.65 0.02 -2.16 1.90 4.81 -0.82 -3.36 114.58 115.61 2xil h GLU 98 Ca 0.13 -0.02 -0.58 0.00 -0.13 0.00 0.00 59.36 58.77 2xil h GLU 98 Cb 0.39 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 29.37 2xil h GLU 98 CO 0.01 0.73 -0.76 1.19 -0.73 0.00 0.00 179.01 179.46 2xil n PHE 99 N -3.69 2.65 0.47 0.92 3.01 -0.29 -4.93 117.46 115.62 2xil n PHE 99 Ca -0.01 -3.97 0.08 0.00 1.01 0.00 0.00 57.45 54.56 2xil n PHE 99 Cb 0.71 -0.49 0.34 0.00 -0.01 0.00 0.00 39.48 40.03 2xil n PHE 99 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2xil n PRO 100 N 0.62 0.04 0.17 -1.08 -0.04 -0.61 -2.26 135.00 131.85 2xil n PRO 100 Ca 0.28 0.29 0.13 0.00 -0.04 0.00 0.00 63.50 64.16 2xil n PRO 100 Cb 0.45 -1.57 0.39 0.00 -0.04 0.00 0.00 33.50 32.73 2xil n PRO 100 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 2xil h TRP 101 N 0.00 0.00 -3.86 0.54 5.08 -1.91 -3.45 115.95 112.34 2xil h TRP 101 Ca 0.00 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.50 2xil h TRP 101 Cb 0.27 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.41 2xil h TRP 101 CO 0.00 0.00 0.36 -1.50 -1.28 0.00 0.00 178.44 176.02 2xil s ILE 102 N -3.25 4.12 0.76 0.12 2.07 -0.96 -4.93 121.20 119.13 2xil s ILE 102 Ca 0.07 1.82 -0.11 0.00 -1.41 0.00 0.00 60.65 61.03 2xil s ILE 102 Cb 0.09 -4.04 0.05 0.00 0.13 0.00 0.00 42.46 38.69 2xil s ILE 102 CO 0.58 0.20 1.08 -0.94 -1.91 0.00 0.00 174.94 173.95 2xil s SER 103 N -1.51 4.71 0.13 4.50 1.04 -1.26 -4.85 113.70 116.45 2xil s SER 103 Ca 0.49 1.67 -0.15 0.00 0.48 0.00 0.00 55.95 58.44 2xil s SER 103 Cb -0.21 -2.43 -0.01 0.00 0.10 0.00 0.00 66.02 63.47 2xil s SER 103 CO 0.26 -1.88 1.64 0.28 0.98 0.00 0.00 173.24 174.52 2xil h SER 104 N -1.02 0.61 -0.64 7.02 0.02 -1.90 0.43 113.55 118.05 2xil h SER 104 Ca -0.44 -0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 60.23 2xil h SER 104 Cb 1.23 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.59 2xil h SER 104 CO 0.54 0.67 0.20 1.23 -1.14 0.00 0.00 176.83 178.33 2xil h GLY 105 N 0.51 1.08 1.01 -3.77 0.00 -1.78 0.56 103.07 100.68 2xil h GLY 105 Ca 0.13 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 2xil h GLY 105 CO -0.00 0.60 0.29 -0.55 0.00 0.00 0.00 176.54 176.88 2xil h ASP 106 N 0.93 0.90 -0.26 0.19 5.19 -1.77 -2.12 116.42 119.48 2xil h ASP 106 Ca 0.21 -0.15 -0.03 0.00 -0.62 0.00 0.00 57.03 56.43 2xil h ASP 106 Cb 0.30 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 2xil h ASP 106 CO -0.01 0.81 0.03 0.25 -3.12 0.00 0.00 179.24 177.20 2xil h LEU 107 N 0.94 0.43 -0.81 1.55 5.85 -0.42 0.35 115.31 123.20 2xil h LEU 107 Ca 0.23 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 2xil h LEU 107 Cb 0.17 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2xil h LEU 107 CO -0.02 0.60 0.08 -0.26 -0.34 0.00 0.00 178.44 178.50 2xil h PHE 108 N 0.24 1.03 -0.04 1.25 0.05 -0.85 0.14 116.94 118.77 2xil h PHE 108 Ca 0.08 -0.13 -0.25 0.00 3.82 0.00 0.00 57.97 61.48 2xil h PHE 108 Cb 0.36 -0.29 0.02 0.00 2.00 0.00 0.00 35.95 38.04 2xil h PHE 108 CO 0.03 0.88 -0.97 0.66 -0.18 0.00 0.00 178.31 178.73 2xil h SER 109 N 0.92 0.90 -0.35 2.17 4.64 -1.34 -3.09 113.55 117.41 2xil h SER 109 Ca 0.18 -0.69 -0.03 0.00 -0.47 0.00 0.00 61.79 60.79 2xil h SER 109 Cb 0.42 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 2xil h SER 109 CO 0.01 1.49 0.13 0.25 -0.87 0.00 0.00 176.83 177.84 2xil h LEU 110 N 0.42 0.54 -0.74 5.97 5.85 -0.71 -1.30 115.31 125.34 2xil h LEU 110 Ca -0.11 -0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.63 2xil h LEU 110 Cb 1.62 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.44 2xil h LEU 110 CO 0.19 0.52 0.40 1.23 -0.34 0.00 0.00 178.44 180.44 2xil h GLY 111 N 0.78 1.13 0.88 3.75 0.00 -0.66 0.89 103.07 109.84 2xil h GLY 111 Ca 0.14 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 47.12 2xil h GLY 111 CO -0.01 0.10 -0.20 -1.33 0.00 0.00 0.00 176.54 175.10 2xil h GLY 112 N 0.69 0.61 0.81 4.60 0.00 -1.18 -1.25 103.07 107.35 2xil h GLY 112 Ca 0.36 -0.61 0.02 0.00 0.00 0.00 0.00 47.33 47.10 2xil h GLY 112 CO -0.24 0.55 0.06 -2.08 0.00 0.00 0.00 176.54 174.82 2xil h VAL 113 N 0.27 0.93 -0.43 4.60 2.07 -1.15 -1.14 116.25 121.40 2xil h VAL 113 Ca 0.04 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2xil h VAL 113 Cb 0.75 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 2xil h VAL 113 CO 0.05 0.03 0.19 0.74 0.02 0.00 0.00 177.57 178.60 2xil h THR 114 N 0.15 0.92 -0.08 2.57 2.02 -0.73 -1.40 112.91 116.36 2xil h THR 114 Ca 0.09 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.16 2xil h THR 114 Cb 0.07 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 2xil h THR 114 CO -0.10 0.07 -0.05 0.00 0.37 0.00 0.00 175.52 175.81 2xil h ALA 115 N 1.25 0.02 -0.40 6.16 0.00 -1.04 -0.01 119.26 125.24 2xil h ALA 115 Ca 0.19 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.16 2xil h ALA 115 Cb 0.14 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2xil h ALA 115 CO -0.16 -0.52 0.22 0.28 0.00 0.00 0.00 179.25 179.07 2xil h VAL 116 N -0.05 1.01 -0.44 0.00 2.07 -0.93 -0.73 116.25 117.17 2xil h VAL 116 Ca 0.05 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 2xil h VAL 116 Cb 0.13 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2xil h VAL 116 CO -0.11 0.08 0.01 1.56 0.02 0.00 0.00 177.57 179.13 2xil h GLN 117 N 0.44 0.78 0.00 1.57 4.20 -1.02 -1.19 115.11 119.89 2xil h GLN 117 Ca 0.16 -0.24 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 2xil h GLN 117 Cb 0.04 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2xil h GLN 117 CO -0.09 0.84 -0.34 0.93 -0.67 0.00 0.00 178.83 179.49 2xil h GLU 118 N 0.62 0.00 -0.56 1.46 4.39 -0.82 -1.37 114.58 118.30 2xil h GLU 118 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2xil h GLU 118 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2xil h GLU 118 CO 0.02 0.34 0.00 -1.33 -1.16 0.00 0.00 179.01 176.88 2xil n MET 119 N -3.89 1.06 -1.46 2.33 2.81 -0.30 -4.84 117.12 112.83 2xil n MET 119 Ca -0.01 -0.06 -0.07 0.00 -1.81 0.00 0.00 57.70 55.75 2xil n MET 119 Cb 0.41 -1.29 -0.02 0.00 -0.71 0.00 0.00 33.22 31.60 2xil n MET 119 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2xil n GLN 120 N -0.19 -0.48 -0.60 0.03 6.02 -0.52 -0.13 117.38 121.51 2xil n GLN 120 Ca 0.01 0.61 -0.09 0.00 -0.01 0.00 0.00 57.00 57.52 2xil n GLN 120 Cb 0.16 -4.41 0.06 0.00 1.02 0.00 0.00 30.24 27.06 2xil n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2xil n GLY 121 N -1.84 -1.17 3.78 1.08 0.00 -0.47 -4.69 105.19 101.87 2xil n GLY 121 Ca -0.07 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 2xil n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2xil s PRO 122 N -3.87 2.61 0.40 1.61 0.04 -1.26 -4.67 135.00 129.86 2xil s PRO 122 Ca 0.23 1.22 -0.26 0.00 0.04 0.00 0.00 61.00 62.23 2xil s PRO 122 Cb -0.01 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 2xil s PRO 122 CO 0.16 -1.37 1.34 0.15 0.04 0.00 0.00 177.00 177.32 2xil s LYS 123 N -4.57 3.99 -0.26 4.56 -0.14 -1.26 -4.43 119.74 117.63 2xil s LYS 123 Ca 0.63 2.25 0.02 0.00 -1.36 0.00 0.00 55.97 57.50 2xil s LYS 123 Cb -0.18 -2.80 0.07 0.00 -1.68 0.00 0.00 37.83 33.24 2xil s LYS 123 CO 0.49 -0.51 -0.05 0.42 -0.76 0.00 0.00 175.35 174.94 2xil s ILE 124 N -1.22 1.78 0.45 2.17 -1.09 -1.26 -4.78 121.20 117.25 2xil s ILE 124 Ca 0.56 -1.47 -0.25 0.00 -2.23 0.00 0.00 60.65 57.26 2xil s ILE 124 Cb -0.40 -2.03 -0.08 0.00 -1.58 0.00 0.00 42.46 38.37 2xil s ILE 124 CO 0.52 -0.15 1.39 -2.84 -1.23 0.00 0.00 174.94 172.63 2xil s PRO 125 N 1.26 3.68 -0.00 2.79 0.02 -1.26 -4.78 135.00 136.71 2xil s PRO 125 Ca -0.05 2.33 0.01 0.00 0.02 0.00 0.00 61.00 63.32 2xil s PRO 125 Cb -0.19 -2.63 -0.00 0.00 0.02 0.00 0.00 34.50 31.70 2xil s PRO 125 CO -0.07 -0.79 -0.03 -0.46 -0.33 0.00 0.00 177.00 175.33 2xil s TRP 126 N -1.23 0.27 -0.02 6.54 -0.00 -0.24 -4.78 118.94 119.48 2xil s TRP 126 Ca 0.61 -0.05 0.06 0.00 -0.00 0.00 0.00 56.10 56.73 2xil s TRP 126 Cb -0.42 -0.18 -0.03 0.00 -0.00 0.00 0.00 33.47 32.84 2xil s TRP 126 CO 0.53 -0.01 -0.19 1.03 -0.00 0.00 0.00 176.95 178.31 2xil s ARG 127 N -0.01 2.26 0.68 5.86 0.52 -1.26 -0.33 118.95 126.67 2xil s ARG 127 Ca 0.00 -0.85 -0.03 0.00 -0.52 0.00 0.00 55.73 54.34 2xil s ARG 127 Cb -0.02 -2.21 0.08 0.00 0.52 0.00 0.00 34.95 33.32 2xil s ARG 127 CO -0.00 0.58 0.95 0.00 0.02 0.00 0.00 175.30 176.85 2xil n GLY 129 N -2.77 1.18 3.76 0.00 0.00 -1.26 -4.75 105.19 101.34 2xil n GLY 129 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 2xil n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2xil s ARG 130 N -0.30 3.36 -0.07 1.61 0.52 -1.26 -0.58 118.95 122.22 2xil s ARG 130 Ca 0.00 2.18 0.03 0.00 -0.52 0.00 0.00 55.73 57.42 2xil s ARG 130 Cb 0.00 -2.36 0.01 0.00 0.52 0.00 0.00 34.95 33.12 2xil s ARG 130 CO 0.00 -1.00 -0.15 0.08 0.02 0.00 0.00 175.30 174.25 2xil s VAL 131 N -1.33 1.36 0.31 3.52 1.01 -1.11 -4.62 120.40 119.55 2xil s VAL 131 Ca 0.68 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 2xil s VAL 131 Cb -0.39 -1.21 -0.12 0.00 0.00 0.00 0.00 36.38 34.67 2xil s VAL 131 CO 0.47 0.40 1.52 0.47 0.00 0.00 0.00 175.10 177.96 2xil n ASP 132 N 3.63 3.64 -4.48 3.32 9.92 -1.26 -4.04 116.55 127.27 2xil n ASP 132 Ca -0.21 1.17 -0.24 0.00 -0.53 0.00 0.00 54.79 54.98 2xil n ASP 132 Cb 0.52 -1.57 -0.10 0.00 -0.64 0.00 0.00 41.12 39.33 2xil n ASP 132 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2xil s THR 133 N -0.40 2.56 0.85 -3.53 -4.23 -0.70 -5.00 115.64 105.19 2xil s THR 133 Ca 0.61 -2.35 -0.12 0.00 -1.18 0.00 0.00 61.69 58.65 2xil s THR 133 Cb -0.51 -2.34 0.10 0.00 1.34 0.00 0.00 72.50 71.09 2xil s THR 133 CO 0.54 -0.38 1.10 -2.84 -0.54 0.00 0.00 174.62 172.49 2xil s PRO 134 N -3.48 1.61 0.44 3.99 0.02 -1.26 -4.86 135.00 131.45 2xil s PRO 134 Ca 0.30 0.71 0.25 0.00 0.02 0.00 0.00 61.00 62.27 2xil s PRO 134 Cb -0.05 -1.86 1.27 0.00 0.02 0.00 0.00 34.50 33.88 2xil s PRO 134 CO 0.15 -1.97 1.76 1.49 -0.33 0.00 0.00 177.00 178.10 2xil h GLU 135 N -1.35 0.24 0.00 5.54 4.81 -1.99 -0.54 114.58 121.30 2xil h GLU 135 Ca -0.48 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2xil h GLU 135 Cb 1.28 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2xil h GLU 135 CO 0.57 0.16 0.00 -0.40 -0.73 0.00 0.00 179.01 178.61 2xil n ASP 136 N -4.52 0.00 -0.54 1.04 5.75 -1.26 -1.60 116.55 115.42 2xil n ASP 136 Ca 0.27 0.05 0.14 0.00 -0.01 0.00 0.00 54.79 55.24 2xil n ASP 136 Cb 1.06 -0.32 0.47 0.00 -1.03 0.00 0.00 41.12 41.30 2xil n ASP 136 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2xil n THR 137 N -1.32 0.00 -2.02 2.12 -2.24 -0.21 -4.93 114.28 105.68 2xil n THR 137 Ca 0.10 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 2xil n THR 137 Cb 0.19 0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 69.02 2xil n THR 137 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2xil s THR 138 N -2.00 3.22 0.44 4.28 2.01 -0.63 -4.60 115.64 118.36 2xil s THR 138 Ca 0.37 0.67 -0.23 0.00 0.31 0.00 0.00 61.69 62.80 2xil s THR 138 Cb 0.21 -3.43 -0.08 0.00 0.01 0.00 0.00 72.50 69.21 2xil s THR 138 CO 0.33 0.00 1.14 -2.16 -0.69 0.00 0.00 174.62 173.24 2xil s PRO 139 N 2.47 3.88 0.88 4.92 0.04 -1.26 -5.00 135.00 140.94 2xil s PRO 139 Ca 0.71 1.71 -0.11 0.00 0.04 0.00 0.00 61.00 63.35 2xil s PRO 139 Cb -0.37 -2.46 0.13 0.00 0.04 0.00 0.00 34.50 31.84 2xil s PRO 139 CO 0.30 -0.43 1.15 -0.51 0.04 0.00 0.00 177.00 177.55 2xil s ASP 140 N -1.40 3.18 0.82 6.66 -0.00 -1.26 -4.71 116.67 119.96 2xil s ASP 140 Ca 0.62 2.18 -0.13 0.00 -0.00 0.00 0.00 52.55 55.23 2xil s ASP 140 Cb -0.27 -2.57 0.09 0.00 -0.00 0.00 0.00 42.92 40.18 2xil s ASP 140 CO 0.33 -2.93 1.19 0.20 -0.00 0.00 0.00 175.17 173.96 2xil s ASN 141 N -2.66 3.53 0.00 0.27 0.01 -1.26 -4.27 114.94 110.56 2xil s ASN 141 Ca 0.67 2.31 0.00 0.00 -0.71 0.00 0.00 52.86 55.13 2xil s ASN 141 Cb -0.23 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.85 2xil s ASN 141 CO 0.56 -2.71 0.00 0.61 -1.51 0.00 0.00 177.10 174.06 2xil n GLY 142 N 0.36 0.74 0.00 0.66 0.00 -1.26 -4.97 105.19 100.72 2xil n GLY 142 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 2xil n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xil n ARG 143 N -1.04 0.02 -3.45 1.61 1.74 -1.26 -4.90 116.66 109.38 2xil n ARG 143 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.80 2xil n ARG 143 Cb 0.00 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 29.90 2xil n ARG 143 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2xil s LEU 144 N -3.08 4.12 0.44 0.55 1.43 -1.26 -4.76 118.68 116.12 2xil s LEU 144 Ca 0.10 0.65 -0.20 0.00 -1.03 0.00 0.00 54.13 53.64 2xil s LEU 144 Cb 0.17 -3.44 -0.11 0.00 0.03 0.00 0.00 46.19 42.84 2xil s LEU 144 CO 0.73 -0.13 0.96 -2.16 0.23 0.00 0.00 176.35 175.97 2xil s PRO 145 N -3.39 4.19 0.46 1.29 0.04 -1.26 -5.05 135.00 131.28 2xil s PRO 145 Ca 0.43 1.10 -0.20 0.00 0.04 0.00 0.00 61.00 62.36 2xil s PRO 145 Cb -0.11 -2.17 -0.10 0.00 0.04 0.00 0.00 34.50 32.16 2xil s PRO 145 CO 0.29 -0.07 0.98 -0.51 0.04 0.00 0.00 177.00 177.73 2xil s ASP 146 N -2.29 6.69 0.00 6.66 1.01 -1.26 -5.00 116.67 122.48 2xil s ASP 146 Ca 0.62 1.77 0.20 0.00 0.71 0.00 0.00 52.55 55.85 2xil s ASP 146 Cb -0.09 -2.55 -0.15 0.00 1.01 0.00 0.00 42.92 41.14 2xil s ASP 146 CO 0.15 -0.53 0.90 0.00 0.21 0.00 0.00 175.17 175.90 2xil n ALA 147 N -0.81 4.24 0.96 5.23 0.00 -1.26 -4.42 120.51 124.44 2xil n ALA 147 Ca 0.08 -0.58 0.10 0.00 0.00 0.00 0.00 53.44 53.04 2xil n ALA 147 Cb 0.53 -0.72 0.30 0.00 0.00 0.00 0.00 19.45 19.57 2xil n ALA 147 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2xil n ASP 148 N -1.03 2.07 -3.13 0.00 5.75 -1.26 -2.03 116.55 116.92 2xil n ASP 148 Ca 0.05 -1.82 -0.08 0.00 -0.01 0.00 0.00 54.79 52.93 2xil n ASP 148 Cb 0.35 -0.17 0.02 0.00 -1.03 0.00 0.00 41.12 40.29 2xil n ASP 148 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2xil n LYS 149 N 0.60 0.95 -3.40 0.11 4.76 -1.26 -4.84 118.16 115.07 2xil n LYS 149 Ca 0.16 -1.25 -0.21 0.00 -2.87 0.00 0.00 58.31 54.14 2xil n LYS 149 Cb 0.38 -0.02 0.00 0.00 -1.84 0.00 0.00 35.03 33.55 2xil n LYS 149 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2xil n ASP 150 N -2.49 2.43 0.09 4.39 5.68 -1.26 -3.35 116.55 122.04 2xil n ASP 150 Ca 0.04 -2.55 0.05 0.00 -0.50 0.00 0.00 54.79 51.82 2xil n ASP 150 Cb 0.24 -0.04 0.47 0.00 -1.14 0.00 0.00 41.12 40.64 2xil n ASP 150 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2xil h ALA 151 N 0.68 1.73 -0.52 2.12 0.00 -1.91 -1.47 119.26 119.90 2xil h ALA 151 Ca -0.29 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 2xil h ALA 151 Cb 1.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2xil h ALA 151 CO 0.45 0.22 0.09 -0.44 0.00 0.00 0.00 179.25 179.57 2xil h ASP 152 N 0.34 0.82 -0.50 0.00 3.32 -1.95 0.17 116.42 118.63 2xil h ASP 152 Ca 0.09 -0.26 0.04 0.00 0.02 0.00 0.00 57.03 56.92 2xil h ASP 152 Cb 0.05 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 2xil h ASP 152 CO -0.01 0.87 0.25 0.22 -1.72 0.00 0.00 179.24 178.85 2xil h TYR 153 N 0.74 0.46 -0.46 4.55 3.20 -1.69 -1.68 116.97 122.08 2xil h TYR 153 Ca 0.16 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 2xil h TYR 153 Cb 0.39 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 2xil h TYR 153 CO 0.03 0.22 0.08 0.28 -1.64 0.00 0.00 178.16 177.13 2xil h VAL 154 N 0.49 1.24 -0.15 1.81 2.07 -0.86 0.40 116.25 121.25 2xil h VAL 154 Ca 0.22 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 2xil h VAL 154 Cb 0.13 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2xil h VAL 154 CO -0.15 0.31 0.08 -0.09 0.02 0.00 0.00 177.57 177.74 2xil h ARG 155 N 0.63 0.22 -0.39 1.57 2.43 -0.85 -1.78 114.38 116.21 2xil h ARG 155 Ca 0.14 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 2xil h ARG 155 Cb 0.37 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2xil h ARG 155 CO 0.01 0.26 0.07 1.15 -1.51 0.00 0.00 179.97 179.95 2xil h THR 156 N 0.13 1.24 -0.33 0.20 2.02 -1.18 -2.39 112.91 112.59 2xil h THR 156 Ca 0.05 -0.83 0.07 0.00 0.77 0.00 0.00 66.41 66.47 2xil h THR 156 Cb 0.11 1.04 -0.08 0.00 -1.74 0.00 0.00 68.15 67.48 2xil h THR 156 CO -0.01 0.28 -0.30 0.15 0.37 0.00 0.00 175.52 176.01 2xil h PHE 157 N 0.48 -0.83 0.00 3.16 3.57 0.03 -2.41 116.94 120.95 2xil h PHE 157 Ca 0.12 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2xil h PHE 157 Cb 0.35 0.41 0.00 0.00 2.79 0.00 0.00 35.95 39.50 2xil h PHE 157 CO 0.02 -0.37 0.00 0.74 -2.23 0.00 0.00 178.31 176.47 2xil h PHE 158 N -0.27 0.00 -0.09 0.41 -1.00 -1.15 -1.88 116.94 112.96 2xil h PHE 158 Ca 0.16 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.96 2xil h PHE 158 Cb 0.52 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.08 2xil h PHE 158 CO -0.49 0.00 0.07 1.96 -1.61 0.00 0.00 178.31 178.25 2xil h GLN 159 N 0.00 0.00 0.00 1.51 4.20 -0.91 0.04 115.11 119.96 2xil h GLN 159 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 2xil h GLN 159 Cb 0.54 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 2xil h GLN 159 CO 0.00 0.00 -0.19 -0.09 -0.67 0.00 0.00 178.83 177.88 2xil h ARG 160 N 0.00 0.00 -0.66 1.46 2.43 -1.42 -1.38 114.38 114.81 2xil h ARG 160 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2xil h ARG 160 Cb 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2xil h ARG 160 CO -0.00 0.19 0.00 1.28 -1.51 0.00 0.00 179.97 179.93 2xil n LEU 161 N -3.74 4.28 -3.60 3.80 4.77 -0.05 -2.22 117.00 120.23 2xil n LEU 161 Ca -0.02 -2.16 -0.26 0.00 -0.03 0.00 0.00 56.01 53.55 2xil n LEU 161 Cb 0.30 -0.54 0.05 0.00 -2.33 0.00 0.00 43.42 40.90 2xil n LEU 161 CO 0.33 0.79 0.15 -3.20 -1.33 0.00 0.00 177.39 174.13 2xil n ASN 162 N 1.13 -5.73 -4.55 -1.43 5.15 -0.52 -4.98 115.26 104.33 2xil n ASN 162 Ca 0.24 -0.57 -0.34 0.00 -0.60 0.00 0.00 54.58 53.31 2xil n ASN 162 Cb 0.78 -4.55 -0.12 0.00 -0.53 0.00 0.00 39.78 35.36 2xil n ASN 162 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2xil s MET 163 N -6.31 2.82 0.43 1.20 -1.94 -0.86 -5.03 119.30 109.61 2xil s MET 163 Ca 0.56 -0.57 0.03 0.00 -1.71 0.00 0.00 55.69 54.00 2xil s MET 163 Cb -0.26 -2.59 0.08 0.00 2.01 0.00 0.00 34.83 34.07 2xil s MET 163 CO 0.70 0.60 0.59 0.27 -0.01 0.00 0.00 175.02 177.17 2xil n ASN 164 N 2.40 1.17 -0.24 3.03 0.23 -1.26 -4.09 115.26 116.50 2xil n ASN 164 Ca -0.18 -1.90 -0.06 0.00 -0.53 0.00 0.00 54.58 51.92 2xil n ASN 164 Cb 0.53 -0.35 0.05 0.00 -2.08 0.00 0.00 39.78 37.93 2xil n ASN 164 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2xil h ASP 165 N -0.15 0.81 -0.57 0.53 5.19 -1.99 0.58 116.42 120.83 2xil h ASP 165 Ca -0.20 -0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 56.09 2xil h ASP 165 Cb 0.82 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.10 2xil h ASP 165 CO 0.25 0.62 0.10 0.03 -3.12 0.00 0.00 179.24 177.12 2xil h ARG 166 N 0.93 0.94 -0.68 3.56 3.08 -1.97 -1.00 114.38 119.23 2xil h ARG 166 Ca 0.25 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 2xil h ARG 166 Cb -0.05 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.86 2xil h ARG 166 CO -0.05 0.89 0.19 0.93 -1.07 0.00 0.00 179.97 180.87 2xil h GLU 167 N 0.84 1.07 0.02 0.04 5.08 -1.82 -0.39 114.58 119.43 2xil h GLU 167 Ca 0.17 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2xil h GLU 167 Cb 0.40 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2xil h GLU 167 CO 0.01 0.93 -0.01 0.28 -1.00 0.00 0.00 179.01 179.22 2xil h VAL 168 N 1.02 1.10 -0.64 3.13 2.07 -0.59 0.80 116.25 123.14 2xil h VAL 168 Ca 0.22 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 2xil h VAL 168 Cb 0.32 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 2xil h VAL 168 CO -0.00 0.10 0.07 0.58 0.02 0.00 0.00 177.57 178.34 2xil h VAL 169 N -0.20 1.26 0.01 2.57 2.07 -1.08 -0.79 116.25 120.10 2xil h VAL 169 Ca -0.00 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.45 2xil h VAL 169 Cb 0.19 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2xil h VAL 169 CO 0.01 0.40 -0.05 0.00 0.02 0.00 0.00 177.57 177.95 2xil h ALA 170 N 1.06 -0.06 -0.60 1.67 0.00 -0.97 -2.69 119.26 117.67 2xil h ALA 170 Ca 0.19 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.14 2xil h ALA 170 Cb 0.48 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2xil h ALA 170 CO 0.02 -0.55 0.40 -0.07 0.00 0.00 0.00 179.25 179.05 2xil h LEU 171 N -0.09 0.57 -1.07 0.00 3.38 -0.52 -1.12 115.31 116.46 2xil h LEU 171 Ca 0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2xil h LEU 171 Cb 0.10 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2xil h LEU 171 CO -0.04 0.39 0.00 -0.03 0.09 0.00 0.00 178.44 178.85 2xil h MET 172 N 0.66 0.00 0.00 1.13 4.05 -0.81 -2.12 114.93 117.84 2xil h MET 172 Ca 0.25 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.67 2xil h MET 172 Cb 0.15 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 2xil h MET 172 CO -0.07 0.00 0.00 0.78 0.23 0.00 0.00 176.91 177.85 2xil h GLY 173 N 1.56 0.00 2.00 1.39 0.00 -1.09 -0.51 103.07 106.42 2xil h GLY 173 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2xil h GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2xil n ALA 174 N -1.97 1.38 1.52 3.60 0.00 -0.80 -1.57 120.51 122.68 2xil n ALA 174 Ca -0.01 0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.51 2xil n ALA 174 Cb 0.13 -1.18 0.48 0.00 0.00 0.00 0.00 19.45 18.88 2xil n ALA 174 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2xil n HIS 175 N -1.66 0.00 0.23 0.00 8.25 -0.20 -1.36 115.22 120.48 2xil n HIS 175 Ca 0.02 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.55 2xil n HIS 175 Cb 0.11 0.00 0.59 0.00 1.12 0.00 0.00 29.99 31.81 2xil n HIS 175 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2xil h ALA 176 N 3.18 1.92 -2.54 -1.41 0.00 -1.52 -3.41 119.26 115.49 2xil h ALA 176 Ca 0.00 -0.03 -0.52 0.00 0.00 0.00 0.00 54.91 54.36 2xil h ALA 176 Cb 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2xil h ALA 176 CO 0.00 0.07 0.12 -0.51 0.00 0.00 0.00 179.25 178.92 2xil s LEU 177 N -9.03 4.36 0.00 0.00 1.43 -0.46 -4.29 118.68 110.68 2xil s LEU 177 Ca -0.05 1.44 0.00 0.00 -1.03 0.00 0.00 54.13 54.49 2xil s LEU 177 Cb 0.17 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.82 2xil s LEU 177 CO 0.68 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.91 2xil n GLY 178 N 0.78 1.25 3.63 -3.19 0.00 0.43 -4.88 105.19 103.21 2xil n GLY 178 Ca -0.02 -0.71 -0.06 0.00 0.00 0.00 0.00 46.02 45.22 2xil n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2xil s LYS 179 N 0.00 1.10 0.21 1.61 -2.85 -1.26 -4.29 119.74 114.26 2xil s LYS 179 Ca 0.00 -0.52 -0.18 0.00 -1.00 0.00 0.00 55.97 54.26 2xil s LYS 179 Cb 0.00 0.43 -0.08 0.00 -2.06 0.00 0.00 37.83 36.12 2xil s LYS 179 CO 0.00 -0.49 0.69 0.95 0.10 0.00 0.00 175.35 176.60 2xil s THR 180 N -3.31 4.63 -0.17 3.79 -4.23 -0.51 -4.95 115.64 110.89 2xil s THR 180 Ca 0.08 1.19 0.01 0.00 -1.18 0.00 0.00 61.69 61.79 2xil s THR 180 Cb -0.01 -3.83 0.02 0.00 1.34 0.00 0.00 72.50 70.02 2xil s THR 180 CO -0.03 0.20 -0.18 -1.00 -0.54 0.00 0.00 174.62 173.07 2xil s HIS 181 N -1.53 2.59 0.28 3.99 0.09 -1.00 -1.64 115.29 118.07 2xil s HIS 181 Ca 0.42 -1.53 0.02 0.00 -0.00 0.00 0.00 55.06 53.97 2xil s HIS 181 Cb -0.16 -1.81 0.65 0.00 -0.00 0.00 0.00 32.58 31.26 2xil s HIS 181 CO 0.20 -0.77 1.74 1.25 -0.00 0.00 0.00 174.74 177.17 2xil h LEU 182 N 7.97 0.52 -1.32 0.89 5.85 -1.63 0.07 115.31 127.66 2xil h LEU 182 Ca -0.42 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 2xil h LEU 182 Cb 1.13 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 2xil h LEU 182 CO 0.59 0.15 -0.16 0.11 -0.34 0.00 0.00 178.44 178.80 2xil h LYS 183 N 0.57 0.00 0.12 1.25 1.79 -1.97 -0.66 116.57 117.67 2xil h LYS 183 Ca 0.52 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.75 2xil h LYS 183 Cb 0.86 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 2xil h LYS 183 CO -0.43 0.16 -1.21 -0.91 -1.08 0.00 0.00 179.45 175.98 2xil h ASN 184 N 0.00 0.38 0.00 0.86 2.35 -1.32 -3.44 115.58 114.42 2xil h ASN 184 Ca -0.00 -0.87 0.00 0.00 -0.55 0.00 0.00 56.30 54.88 2xil h ASN 184 Cb 0.63 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.88 2xil h ASN 184 CO 0.02 1.54 0.00 -1.54 -1.65 0.00 0.00 177.43 175.80 2xil n SER 185 N -4.01 0.14 0.00 5.81 3.41 -0.97 -4.68 113.62 113.32 2xil n SER 185 Ca -0.22 -0.46 0.00 0.00 -0.26 0.00 0.00 58.87 57.93 2xil n SER 185 Cb 0.86 0.42 0.00 0.00 -0.26 0.00 0.00 64.21 65.23 2xil n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2xil n GLY 186 N 0.42 0.53 3.23 5.00 0.00 -0.26 -5.04 105.19 109.07 2xil n GLY 186 Ca 0.00 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 2xil n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2xil s TYR 187 N -2.00 1.57 -0.02 1.61 2.02 -1.26 -4.65 117.35 114.62 2xil s TYR 187 Ca 0.00 -0.42 0.01 0.00 -0.37 0.00 0.00 57.07 56.29 2xil s TYR 187 Cb 0.00 -0.88 0.02 0.00 -0.40 0.00 0.00 41.96 40.70 2xil s TYR 187 CO 0.00 0.13 -0.01 -2.00 -1.57 0.00 0.00 175.55 172.10 2xil s GLU 188 N -1.68 0.28 0.00 -0.62 2.56 -1.26 -1.49 118.70 116.48 2xil s GLU 188 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 54.97 55.03 2xil s GLU 188 Cb -0.10 -0.40 0.00 0.00 2.00 0.00 0.00 34.13 35.63 2xil s GLU 188 CO 0.03 -0.08 0.00 0.41 -0.56 0.00 0.00 175.26 175.06 2xil n GLY 189 N 3.81 3.95 3.91 -1.50 0.00 -0.65 -4.85 105.19 109.85 2xil n GLY 189 Ca -0.23 -1.64 -0.28 0.00 0.00 0.00 0.00 46.02 43.87 2xil n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2xil s PRO 190 N -3.31 2.81 0.00 1.61 0.04 -1.26 -1.42 135.00 133.47 2xil s PRO 190 Ca 0.00 0.11 0.23 0.00 0.04 0.00 0.00 61.00 61.38 2xil s PRO 190 Cb 0.00 -2.18 0.11 0.00 0.04 0.00 0.00 34.50 32.47 2xil s PRO 190 CO 0.00 -0.86 1.15 0.91 0.04 0.00 0.00 177.00 178.24 2xil n TRP 191 N -2.75 0.00 -3.93 0.56 8.01 -1.26 -0.69 117.44 117.38 2xil n TRP 191 Ca 0.06 0.00 0.01 0.00 -1.31 0.00 0.00 57.50 56.26 2xil n TRP 191 Cb 0.58 -0.04 0.01 0.00 -2.01 0.00 0.00 31.31 29.84 2xil n TRP 191 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2xil n GLY 192 N 1.44 0.41 0.15 6.99 0.00 -1.26 -4.60 105.19 108.31 2xil n GLY 192 Ca 0.08 -1.01 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 2xil n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xil h ALA 193 N 2.00 -0.07 -2.28 4.61 0.00 -1.95 -3.40 119.26 118.17 2xil h ALA 193 Ca -0.17 -0.94 -0.73 0.00 0.00 0.00 0.00 54.91 53.07 2xil h ALA 193 Cb 0.89 0.26 -0.22 0.00 0.00 0.00 0.00 17.79 18.73 2xil h ALA 193 CO 0.24 0.77 0.34 0.00 0.00 0.00 0.00 179.25 180.61 2xil s ALA 194 N -2.59 3.67 -0.44 0.00 0.00 -1.26 -4.77 121.76 116.38 2xil s ALA 194 Ca -0.11 -2.85 0.05 0.00 0.00 0.00 0.00 51.96 49.05 2xil s ALA 194 Cb 0.04 -3.69 0.15 0.00 0.00 0.00 0.00 23.12 19.62 2xil s ALA 194 CO 0.92 -2.53 1.12 0.27 0.00 0.00 0.00 175.76 175.54 2xil n ASN 195 N 5.45 2.44 -0.55 0.00 6.94 -1.26 -4.28 115.26 124.00 2xil n ASN 195 Ca 0.11 -2.01 0.04 0.00 -0.02 0.00 0.00 54.58 52.70 2xil n ASN 195 Cb 0.46 -0.11 0.07 0.00 -2.36 0.00 0.00 39.78 37.84 2xil n ASN 195 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2xil n ASN 196 N -0.03 1.06 -4.08 0.53 0.23 -1.26 -0.43 115.26 111.28 2xil n ASN 196 Ca 0.06 -2.54 -0.27 0.00 -0.53 0.00 0.00 54.58 51.29 2xil n ASN 196 Cb 0.34 -0.32 -0.17 0.00 -2.08 0.00 0.00 39.78 37.55 2xil n ASN 196 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2xil s VAL 197 N -1.22 1.41 -0.41 3.53 1.01 -1.26 -4.72 120.40 118.73 2xil s VAL 197 Ca 0.20 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 61.25 2xil s VAL 197 Cb 0.19 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 35.33 2xil s VAL 197 CO -0.03 0.42 1.22 0.12 0.00 0.00 0.00 175.10 176.83 2xil s PHE 198 N 0.62 2.74 0.30 5.22 5.36 0.81 -4.91 117.98 128.12 2xil s PHE 198 Ca -0.15 0.80 0.06 0.00 -0.96 0.00 0.00 56.93 56.69 2xil s PHE 198 Cb -0.16 -4.21 -0.02 0.00 -0.34 0.00 0.00 43.02 38.29 2xil s PHE 198 CO 0.05 -1.45 0.27 0.25 -1.46 0.00 0.00 175.22 172.88 2xil n THR 199 N 6.65 0.00 -0.17 0.12 -2.24 -1.26 -4.34 114.28 113.04 2xil n THR 199 Ca 0.14 -2.14 -0.00 0.00 -2.27 0.00 0.00 64.05 59.77 2xil n THR 199 Cb 0.48 1.09 0.21 0.00 -2.10 0.00 0.00 70.33 70.01 2xil n THR 199 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2xil n ASN 200 N -1.80 3.73 -0.19 3.42 6.94 -1.26 -4.55 115.26 121.54 2xil n ASN 200 Ca 0.06 -2.65 0.17 0.00 -0.02 0.00 0.00 54.58 52.14 2xil n ASN 200 Cb 0.54 -0.63 0.51 0.00 -2.36 0.00 0.00 39.78 37.84 2xil n ASN 200 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2xil h GLU 201 N 1.94 0.40 -0.57 -3.83 4.81 -1.94 -2.56 114.58 112.83 2xil h GLU 201 Ca 0.09 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 2xil h GLU 201 Cb 1.55 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.79 2xil h GLU 201 CO 0.38 0.26 0.26 0.35 -0.73 0.00 0.00 179.01 179.54 2xil h PHE 202 N 0.41 0.47 -0.28 0.92 3.57 -1.84 0.18 116.94 120.37 2xil h PHE 202 Ca 0.40 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.86 2xil h PHE 202 Cb 0.95 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 2xil h PHE 202 CO -0.00 0.20 -0.10 1.88 -2.23 0.00 0.00 178.31 178.05 2xil h TYR 203 N 0.49 0.64 -0.96 0.41 -1.99 -1.81 -0.54 116.97 113.21 2xil h TYR 203 Ca 0.26 -0.15 -0.00 0.00 2.00 0.00 0.00 58.73 60.84 2xil h TYR 203 Cb 0.23 -0.15 -0.05 0.00 2.00 0.00 0.00 36.73 38.76 2xil h TYR 203 CO -0.12 0.79 0.59 -0.07 -0.00 0.00 0.00 178.16 179.35 2xil h LEU 204 N 0.31 1.14 -0.43 3.88 3.38 -1.35 -1.72 115.31 120.52 2xil h LEU 204 Ca 0.07 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.81 2xil h LEU 204 Cb 0.60 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2xil h LEU 204 CO 0.03 0.87 -0.52 0.78 0.09 0.00 0.00 178.44 179.69 2xil h ASN 205 N 1.32 0.81 -0.97 -0.43 2.35 -0.48 0.75 115.58 118.93 2xil h ASN 205 Ca 0.35 -0.42 0.05 0.00 -0.55 0.00 0.00 56.30 55.73 2xil h ASN 205 Cb -0.08 -0.23 -0.06 0.00 0.05 0.00 0.00 38.32 38.00 2xil h ASN 205 CO -0.07 1.18 0.63 -0.07 -1.65 0.00 0.00 177.43 177.45 2xil h LEU 206 N 0.57 1.02 0.00 1.61 3.38 -0.69 -1.80 115.31 119.40 2xil h LEU 206 Ca 0.02 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 2xil h LEU 206 Cb 1.09 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 2xil h LEU 206 CO 0.11 0.67 -0.92 -0.07 0.09 0.00 0.00 178.44 178.32 2xil h LEU 207 N 1.17 0.00 0.00 1.67 3.38 -1.06 -3.40 115.31 117.07 2xil h LEU 207 Ca 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 2xil h LEU 207 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2xil h LEU 207 CO -0.15 0.61 -1.45 0.59 0.09 0.00 0.00 178.44 178.13 2xil n ASN 208 N -3.12 2.81 -4.81 -0.43 5.03 0.24 -4.99 115.26 109.98 2xil n ASN 208 Ca -0.03 0.00 -0.31 0.00 0.87 0.00 0.00 54.58 55.11 2xil n ASN 208 Cb 0.81 1.40 0.06 0.00 -1.02 0.00 0.00 39.78 41.03 2xil n ASN 208 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2xil s GLU 209 N -2.64 2.68 -0.58 3.52 0.41 -0.70 -4.99 118.70 116.40 2xil s GLU 209 Ca -0.04 0.90 -0.21 0.00 -0.41 0.00 0.00 54.97 55.21 2xil s GLU 209 Cb 0.06 -1.97 0.07 0.00 -1.78 0.00 0.00 34.13 30.52 2xil s GLU 209 CO 0.40 -1.27 0.79 1.21 -0.49 0.00 0.00 175.26 175.90 2xil s ASN 210 N -3.79 6.21 0.06 -0.19 3.84 -1.26 -4.98 114.94 114.83 2xil s ASN 210 Ca 0.59 -1.02 -0.15 0.00 0.21 0.00 0.00 52.86 52.49 2xil s ASN 210 Cb -0.14 -2.35 -0.06 0.00 -0.55 0.00 0.00 41.25 38.14 2xil s ASN 210 CO 0.55 -1.17 0.47 0.26 -2.79 0.00 0.00 177.10 174.42 2xil s TRP 211 N 3.25 3.70 -0.08 0.43 0.52 -1.26 -4.30 118.94 121.20 2xil s TRP 211 Ca 0.18 1.04 0.04 0.00 0.02 0.00 0.00 56.10 57.39 2xil s TRP 211 Cb -0.19 -2.33 -0.00 0.00 -1.15 0.00 0.00 33.47 29.79 2xil s TRP 211 CO 0.11 0.57 -0.21 0.15 0.02 0.00 0.00 176.95 177.59 2xil s LYS 212 N -1.38 2.52 -0.42 4.98 1.02 0.84 -4.90 119.74 122.40 2xil s LYS 212 Ca 0.29 -0.76 -0.29 0.00 0.02 0.00 0.00 55.97 55.23 2xil s LYS 212 Cb -0.17 -2.00 0.02 0.00 -0.52 0.00 0.00 37.83 35.17 2xil s LYS 212 CO 0.16 0.20 1.17 -1.17 -0.92 0.00 0.00 175.35 174.79 2xil s LEU 213 N 0.25 3.71 0.34 3.17 2.96 -1.26 -0.31 118.68 127.54 2xil s LEU 213 Ca -0.13 0.69 0.06 0.00 -0.22 0.00 0.00 54.13 54.53 2xil s LEU 213 Cb -0.16 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 42.92 2xil s LEU 213 CO 0.06 -1.18 0.01 -1.61 -1.32 0.00 0.00 176.35 172.31 2xil s GLU 214 N 4.31 1.73 -0.18 1.98 2.02 -0.08 -4.96 118.70 123.51 2xil s GLU 214 Ca 0.49 -1.94 -0.10 0.00 0.02 0.00 0.00 54.97 53.44 2xil s GLU 214 Cb -0.10 -1.18 -0.05 0.00 0.10 0.00 0.00 34.13 32.90 2xil s GLU 214 CO 0.28 -0.09 0.15 0.15 0.02 0.00 0.00 175.26 175.77 2xil s LYS 215 N -3.79 4.04 0.45 1.61 -0.14 -1.26 -0.82 119.74 119.83 2xil s LYS 215 Ca 0.34 -0.17 -0.02 0.00 -1.36 0.00 0.00 55.97 54.77 2xil s LYS 215 Cb 0.08 -3.37 0.09 0.00 -1.68 0.00 0.00 37.83 32.95 2xil s LYS 215 CO 0.16 0.40 0.62 0.27 -0.76 0.00 0.00 175.35 176.03 2xil n ASN 216 N 3.18 0.64 0.01 2.83 0.23 0.91 -4.90 115.26 118.16 2xil n ASN 216 Ca -0.16 -1.58 0.07 0.00 -0.53 0.00 0.00 54.58 52.37 2xil n ASN 216 Cb 0.53 -0.42 0.32 0.00 -2.08 0.00 0.00 39.78 38.12 2xil n ASN 216 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2xil n ASP 217 N -3.06 0.03 -0.84 0.53 8.00 -1.26 -0.98 116.55 118.96 2xil n ASP 217 Ca 0.10 0.51 0.07 0.00 0.71 0.00 0.00 54.79 56.18 2xil n ASP 217 Cb 0.34 -0.51 0.20 0.00 -0.02 0.00 0.00 41.12 41.13 2xil n ASP 217 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2xil n ALA 218 N -1.51 2.43 -1.66 2.24 0.00 -1.26 -4.92 120.51 115.83 2xil n ALA 218 Ca 0.03 -0.80 -0.12 0.00 0.00 0.00 0.00 53.44 52.55 2xil n ALA 218 Cb 0.17 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 2xil n ALA 218 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2xil n ASN 219 N 0.84 -4.28 -4.71 0.00 5.15 -0.15 -5.03 115.26 107.08 2xil n ASN 219 Ca 0.15 0.20 -0.35 0.00 -0.60 0.00 0.00 54.58 53.98 2xil n ASN 219 Cb 0.39 -3.07 -0.09 0.00 -0.53 0.00 0.00 39.78 36.47 2xil n ASN 219 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2xil s ASN 220 N -2.73 5.39 0.28 1.20 0.01 -1.26 -4.84 114.94 113.00 2xil s ASN 220 Ca 0.00 0.18 -0.29 0.00 -0.71 0.00 0.00 52.86 52.04 2xil s ASN 220 Cb 0.00 -1.55 -0.10 0.00 0.41 0.00 0.00 41.25 40.01 2xil s ASN 220 CO 0.00 0.38 1.13 -1.61 -1.51 0.00 0.00 177.10 175.49 2xil s GLU 221 N -0.93 4.60 0.11 -0.60 2.02 -1.26 -0.06 118.70 122.57 2xil s GLU 221 Ca 0.14 1.87 -0.13 0.00 0.02 0.00 0.00 54.97 56.87 2xil s GLU 221 Cb -0.11 -3.17 0.02 0.00 0.10 0.00 0.00 34.13 30.96 2xil s GLU 221 CO 0.03 0.15 0.30 1.14 0.02 0.00 0.00 175.26 176.90 2xil s GLN 222 N -1.46 0.96 -0.16 1.61 -2.07 0.00 -4.62 119.66 113.92 2xil s GLN 222 Ca 0.45 -0.82 -0.18 0.00 -1.82 0.00 0.00 55.36 53.00 2xil s GLN 222 Cb -0.33 0.41 -0.04 0.00 -1.09 0.00 0.00 33.01 31.96 2xil s GLN 222 CO 0.43 -0.34 0.48 -1.58 -1.32 0.00 0.00 175.29 172.95 2xil s TRP 223 N -3.80 3.44 0.10 9.60 0.52 -0.40 -0.90 118.94 127.49 2xil s TRP 223 Ca 0.04 0.80 0.09 0.00 0.02 0.00 0.00 56.10 57.05 2xil s TRP 223 Cb 0.03 -2.59 -0.03 0.00 -1.15 0.00 0.00 33.47 29.73 2xil s TRP 223 CO -0.11 0.04 -0.23 -0.51 0.02 0.00 0.00 176.95 176.16 2xil s ASP 224 N 0.88 2.83 0.25 2.95 1.01 0.58 -0.42 116.67 124.73 2xil s ASP 224 Ca 0.24 -0.68 0.11 0.00 0.71 0.00 0.00 52.55 52.94 2xil s ASP 224 Cb -0.15 -0.18 -0.05 0.00 1.01 0.00 0.00 42.92 43.55 2xil s ASP 224 CO 0.09 0.13 -0.21 -0.94 0.21 0.00 0.00 175.17 174.45 2xil s SER 225 N -1.81 3.46 0.00 0.27 1.04 -0.25 -0.11 113.70 116.29 2xil s SER 225 Ca 0.09 -0.97 0.19 0.00 0.48 0.00 0.00 55.95 55.74 2xil s SER 225 Cb -0.10 -0.27 0.86 0.00 0.10 0.00 0.00 66.02 66.61 2xil s SER 225 CO 0.04 0.05 1.60 2.29 0.98 0.00 0.00 173.24 178.21 2xil n LYS 226 N -0.30 0.09 0.00 4.02 -0.00 -1.26 -1.17 118.16 119.53 2xil n LYS 226 Ca -0.08 0.15 0.13 0.00 -0.00 0.00 0.00 58.31 58.51 2xil n LYS 226 Cb 0.59 -1.50 0.60 0.00 -0.00 0.00 0.00 35.03 34.72 2xil n LYS 226 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2xil n SER 227 N -1.43 0.00 0.00 -5.58 7.64 -1.26 -4.92 113.62 108.07 2xil n SER 227 Ca 0.06 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.23 2xil n SER 227 Cb 0.20 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 2xil n SER 227 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2xil n GLY 228 N 1.15 0.88 3.82 0.23 0.00 -0.32 -5.07 105.19 105.89 2xil n GLY 228 Ca 0.09 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 2xil n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2xil s TYR 229 N -2.00 2.87 0.09 1.61 4.12 -1.23 -4.43 117.35 118.38 2xil s TYR 229 Ca 0.00 -0.30 -0.00 0.00 0.02 0.00 0.00 57.07 56.78 2xil s TYR 229 Cb 0.00 -1.71 -0.04 0.00 -1.52 0.00 0.00 41.96 38.69 2xil s TYR 229 CO 0.00 0.26 -0.01 0.00 0.02 0.00 0.00 175.55 175.82 2xil s MET 230 N -3.94 0.77 -0.03 -0.62 0.23 0.14 -1.09 119.30 114.76 2xil s MET 230 Ca 0.39 -1.32 0.01 0.00 -1.03 0.00 0.00 55.69 53.74 2xil s MET 230 Cb -0.05 0.11 0.01 0.00 -1.53 0.00 0.00 34.83 33.37 2xil s MET 230 CO 0.25 -0.14 -0.05 -1.64 -2.03 0.00 0.00 175.02 171.42 2xil s MET 231 N -3.94 0.63 0.72 3.16 -1.94 0.44 -4.23 119.30 114.13 2xil s MET 231 Ca 0.14 -0.12 -0.14 0.00 -1.71 0.00 0.00 55.69 53.85 2xil s MET 231 Cb 0.07 -0.65 0.03 0.00 2.01 0.00 0.00 34.83 36.29 2xil s MET 231 CO -0.05 -0.01 1.15 -0.51 -0.01 0.00 0.00 175.02 175.60 2xil s LEU 232 N 0.52 3.29 0.31 -0.03 1.43 -1.26 -1.28 118.68 121.66 2xil s LEU 232 Ca -0.06 2.15 0.08 0.00 -1.03 0.00 0.00 54.13 55.27 2xil s LEU 232 Cb -0.10 -4.57 0.84 0.00 0.03 0.00 0.00 46.19 42.40 2xil s LEU 232 CO -0.00 -2.05 1.73 -0.65 0.23 0.00 0.00 176.35 175.61 2xil h PRO 233 N -0.34 0.58 0.00 1.29 0.11 -1.80 0.77 132.00 132.60 2xil h PRO 233 Ca -0.47 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 2xil h PRO 233 Cb 1.27 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2xil h PRO 233 CO 0.51 0.38 -0.48 1.79 -0.21 0.00 0.00 178.00 179.99 2xil h THR 234 N 0.60 1.22 -0.01 -1.15 1.35 -1.41 -1.13 112.91 112.37 2xil h THR 234 Ca 0.63 -1.73 -0.00 0.00 -0.55 0.00 0.00 66.41 64.75 2xil h THR 234 Cb 1.15 1.97 -0.00 0.00 -1.73 0.00 0.00 68.15 69.54 2xil h THR 234 CO -0.46 0.47 0.00 0.44 -0.25 0.00 0.00 175.52 175.72 2xil h ASP 235 N 0.00 0.02 0.24 5.36 3.32 -1.43 -3.11 116.42 120.82 2xil h ASP 235 Ca -0.00 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 2xil h ASP 235 Cb 0.93 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.47 2xil h ASP 235 CO 0.06 0.29 -0.09 0.22 -1.72 0.00 0.00 179.24 178.00 2xil h TYR 236 N -0.24 0.00 0.00 4.55 5.03 -0.67 -1.05 116.97 124.58 2xil h TYR 236 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2xil h TYR 236 Cb 0.27 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.55 2xil h TYR 236 CO 0.02 0.09 0.00 0.66 -1.32 0.00 0.00 178.16 177.60 2xil h SER 237 N 0.00 0.00 0.80 -2.11 4.64 -1.14 -0.97 113.55 114.78 2xil h SER 237 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2xil h SER 237 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2xil h SER 237 CO 0.01 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.90 2xil h LEU 238 N 0.00 0.00 -1.27 5.97 3.38 -1.29 -2.49 115.31 119.61 2xil h LEU 238 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2xil h LEU 238 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2xil h LEU 238 CO 0.00 0.00 -0.10 2.30 0.09 0.00 0.00 178.44 180.73 2xil n ILE 239 N -2.57 0.00 0.00 1.22 -5.35 -0.38 -1.73 119.36 110.55 2xil n ILE 239 Ca 0.01 -0.45 -0.07 0.00 -0.27 0.00 0.00 62.75 61.97 2xil n ILE 239 Cb 0.25 1.24 -0.13 0.00 -1.74 0.00 0.00 39.64 39.26 2xil n ILE 239 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 2xil h GLN 240 N 2.26 0.00 -5.58 6.28 4.20 -1.28 -3.45 115.11 117.53 2xil h GLN 240 Ca 0.00 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 2xil h GLN 240 Cb 0.53 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.22 2xil h GLN 240 CO 0.00 0.60 -0.22 0.34 -0.67 0.00 0.00 178.83 178.88 2xil s ASP 241 N -6.23 6.54 0.47 1.46 2.15 -1.05 -4.97 116.67 115.04 2xil s ASP 241 Ca -0.03 0.64 0.22 0.00 0.43 0.00 0.00 52.55 53.81 2xil s ASP 241 Cb 0.08 -2.24 1.19 0.00 -0.30 0.00 0.00 42.92 41.66 2xil s ASP 241 CO 0.82 0.02 1.99 1.55 -0.17 0.00 0.00 175.17 179.38 2xil h PRO 242 N 6.83 0.00 0.01 4.34 0.13 -1.91 -0.02 132.00 141.38 2xil h PRO 242 Ca -0.40 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.67 2xil h PRO 242 Cb 1.17 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.30 2xil h PRO 242 CO 0.75 0.19 -0.26 0.87 -0.23 0.00 0.00 178.00 179.32 2xil h LYS 243 N 0.00 0.16 -0.70 0.86 1.57 -1.93 -2.78 116.57 113.74 2xil h LYS 243 Ca -0.00 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2xil h LYS 243 Cb 0.43 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 2xil h LYS 243 CO 0.02 0.95 0.45 1.88 -0.57 0.00 0.00 179.45 182.18 2xil h TYR 244 N -0.55 0.90 -0.79 -1.35 0.99 -1.77 -3.09 116.97 111.30 2xil h TYR 244 Ca -0.03 0.01 0.07 0.00 2.00 0.00 0.00 58.73 60.77 2xil h TYR 244 Cb 1.04 -0.30 -0.06 0.00 1.00 0.00 0.00 36.73 38.41 2xil h TYR 244 CO 0.19 0.59 0.47 1.25 -0.00 0.00 0.00 178.16 180.66 2xil h LEU 245 N 0.95 0.72 -1.28 3.88 5.85 -0.12 0.41 115.31 125.72 2xil h LEU 245 Ca 0.26 0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.08 2xil h LEU 245 Cb -0.08 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 2xil h LEU 245 CO -0.05 0.45 0.54 0.28 -0.34 0.00 0.00 178.44 179.32 2xil h SER 246 N 0.85 0.74 0.16 1.25 0.02 -1.41 -0.60 113.55 114.56 2xil h SER 246 Ca 0.35 0.01 -0.25 0.00 -0.84 0.00 0.00 61.79 61.07 2xil h SER 246 Cb 0.21 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.62 2xil h SER 246 CO -0.19 0.46 -1.02 0.40 -1.14 0.00 0.00 176.83 175.34 2xil h ILE 247 N 0.83 1.33 -0.65 3.27 2.04 -1.16 -1.73 117.51 121.44 2xil h ILE 247 Ca 0.37 -2.36 0.05 0.00 1.00 0.00 0.00 64.86 63.92 2xil h ILE 247 Cb 0.35 2.43 -0.05 0.00 -0.74 0.00 0.00 36.82 38.80 2xil h ILE 247 CO -0.14 0.72 0.36 0.58 0.00 0.00 0.00 178.15 179.67 2xil h VAL 248 N 0.31 0.98 -0.88 1.67 2.07 -0.49 -0.99 116.25 118.93 2xil h VAL 248 Ca -0.11 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2xil h VAL 248 Cb 1.67 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 2xil h VAL 248 CO 0.19 0.12 0.50 0.11 0.02 0.00 0.00 177.57 178.52 2xil h LYS 249 N 0.68 1.20 -0.39 1.57 1.57 -0.99 -0.12 116.57 120.10 2xil h LYS 249 Ca 0.29 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2xil h LYS 249 Cb 0.16 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 2xil h LYS 249 CO -0.17 0.86 0.22 0.93 -0.57 0.00 0.00 179.45 180.72 2xil h GLU 250 N 1.22 0.55 -0.00 3.15 5.08 -0.31 -2.42 114.58 121.84 2xil h GLU 250 Ca 0.31 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.45 2xil h GLU 250 Cb -0.01 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2xil h GLU 250 CO -0.05 0.45 -0.75 1.88 -1.00 0.00 0.00 179.01 179.53 2xil h TYR 251 N 0.51 0.07 0.00 4.33 0.99 -0.91 -1.85 116.97 120.10 2xil h TYR 251 Ca 0.14 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.82 2xil h TYR 251 Cb 0.06 -0.01 -0.00 0.00 1.00 0.00 0.00 36.73 37.78 2xil h TYR 251 CO -0.02 0.78 -0.06 0.00 -0.00 0.00 0.00 178.16 178.86 2xil h ALA 252 N 1.21 1.16 -0.33 3.88 0.00 -0.82 -2.88 119.26 121.47 2xil h ALA 252 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2xil h ALA 252 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2xil h ALA 252 CO 0.10 0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.51 2xil n ASN 253 N -3.39 2.89 -3.26 0.00 3.02 -0.84 -4.81 115.26 108.86 2xil n ASN 253 Ca -0.02 -1.91 -0.05 0.00 -0.03 0.00 0.00 54.58 52.57 2xil n ASN 253 Cb 0.20 -0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 39.12 2xil n ASN 253 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2xil s ASP 254 N -1.02 -0.61 0.22 6.41 -1.08 -0.76 -5.01 116.67 114.83 2xil s ASP 254 Ca 0.25 -1.07 -0.09 0.00 -0.52 0.00 0.00 52.55 51.12 2xil s ASP 254 Cb 0.13 1.48 0.25 0.00 -1.46 0.00 0.00 42.92 43.32 2xil s ASP 254 CO 0.18 -0.20 1.82 1.56 0.52 0.00 0.00 175.17 179.05 2xil h GLN 255 N 7.01 0.74 -0.65 4.34 4.20 -1.88 -1.94 115.11 126.94 2xil h GLN 255 Ca 0.05 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 2xil h GLN 255 Cb 1.14 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 2xil h GLN 255 CO 0.13 0.49 0.05 0.22 -0.67 0.00 0.00 178.83 179.06 2xil h ASP 256 N 0.77 1.07 -0.35 1.46 3.58 -1.95 -0.19 116.42 120.81 2xil h ASP 256 Ca 0.31 -0.28 -0.02 0.00 0.42 0.00 0.00 57.03 57.46 2xil h ASP 256 Cb 0.16 -0.29 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 2xil h ASP 256 CO -0.17 1.09 0.14 0.50 -2.88 0.00 0.00 179.24 177.92 2xil h LYS 257 N 1.02 0.52 -0.35 0.28 1.63 -1.89 0.68 116.57 118.46 2xil h LYS 257 Ca 0.19 -0.09 0.03 0.00 -0.85 0.00 0.00 60.65 59.92 2xil h LYS 257 Cb 0.51 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 32.02 2xil h LYS 257 CO 0.02 0.51 0.18 0.35 -3.45 0.00 0.00 179.45 177.06 2xil h PHE 258 N 0.42 0.33 -0.57 1.91 3.57 -1.13 -0.66 116.94 120.81 2xil h PHE 258 Ca 0.12 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.70 2xil h PHE 258 Cb 0.18 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.77 2xil h PHE 258 CO -0.00 0.18 0.25 0.74 -2.23 0.00 0.00 178.31 177.24 2xil h PHE 259 N 0.37 0.45 -0.40 0.41 0.05 -0.52 0.25 116.94 117.55 2xil h PHE 259 Ca 0.15 0.03 -0.16 0.00 3.82 0.00 0.00 57.97 61.81 2xil h PHE 259 Cb 0.06 -0.12 -0.01 0.00 2.00 0.00 0.00 35.95 37.88 2xil h PHE 259 CO -0.10 0.18 -0.36 0.87 -0.18 0.00 0.00 178.31 178.72 2xil h LYS 260 N 0.47 0.95 -0.24 1.51 1.57 -0.59 -1.26 116.57 118.97 2xil h LYS 260 Ca 0.27 -0.48 -0.20 0.00 -1.87 0.00 0.00 60.65 58.36 2xil h LYS 260 Cb 0.25 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2xil h LYS 260 CO -0.22 1.14 -0.64 -0.44 -0.57 0.00 0.00 179.45 178.72 2xil h ASP 261 N 0.78 0.97 -0.22 0.86 3.32 -0.85 -2.53 116.42 118.75 2xil h ASP 261 Ca 0.07 -0.57 0.01 0.00 0.02 0.00 0.00 57.03 56.57 2xil h ASP 261 Cb 0.95 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 2xil h ASP 261 CO 0.09 1.37 0.11 0.15 -1.72 0.00 0.00 179.24 179.24 2xil h PHE 262 N 0.62 0.21 -0.40 4.55 3.57 -0.48 -1.13 116.94 123.89 2xil h PHE 262 Ca -0.01 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.57 2xil h PHE 262 Cb 1.26 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.88 2xil h PHE 262 CO 0.08 0.12 0.03 1.03 -2.23 0.00 0.00 178.31 177.34 2xil h SER 263 N 0.24 -0.09 -0.12 0.41 0.87 -1.10 0.22 113.55 113.98 2xil h SER 263 Ca 0.09 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2xil h SER 263 Cb 0.02 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2xil h SER 263 CO -0.06 -0.01 0.06 0.11 -0.53 0.00 0.00 176.83 176.41 2xil h LYS 264 N 0.15 0.17 -0.44 2.24 1.57 -1.34 -1.44 116.57 117.47 2xil h LYS 264 Ca 0.19 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.86 2xil h LYS 264 Cb 0.26 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 2xil h LYS 264 CO -0.29 0.20 -0.11 0.00 -0.57 0.00 0.00 179.45 178.68 2xil h ALA 265 N 0.96 0.97 -0.30 3.86 0.00 -0.75 -0.79 119.26 123.22 2xil h ALA 265 Ca 0.04 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 2xil h ALA 265 Cb 0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2xil h ALA 265 CO -0.01 0.61 -0.42 0.35 0.00 0.00 0.00 179.25 179.78 2xil h PHE 266 N 0.72 0.99 -0.58 0.00 3.04 -0.49 0.16 116.94 120.79 2xil h PHE 266 Ca 0.12 -0.33 0.02 0.00 3.98 0.00 0.00 57.97 61.76 2xil h PHE 266 Cb 0.60 -0.20 -0.03 0.00 2.56 0.00 0.00 35.95 38.88 2xil h PHE 266 CO 0.03 1.13 0.37 1.49 -2.02 0.00 0.00 178.31 179.31 2xil h GLU 267 N 0.57 0.72 -0.32 1.11 4.81 -1.17 -1.11 114.58 119.19 2xil h GLU 267 Ca 0.03 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2xil h GLU 267 Cb 1.02 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 2xil h GLU 267 CO 0.10 0.47 0.21 -0.22 -0.73 0.00 0.00 179.01 178.84 2xil h LYS 268 N 0.74 0.42 -0.53 1.92 3.64 -0.80 -0.99 116.57 120.97 2xil h LYS 268 Ca 0.22 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.67 2xil h LYS 268 Cb -0.03 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 31.62 2xil h LYS 268 CO -0.07 0.28 0.13 1.25 -2.27 0.00 0.00 179.45 178.76 2xil h LEU 269 N 0.43 0.04 -0.89 5.20 5.85 -0.46 0.15 115.31 125.64 2xil h LEU 269 Ca 0.12 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2xil h LEU 269 Cb -0.05 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2xil h LEU 269 CO -0.03 0.05 0.00 -0.07 -0.34 0.00 0.00 178.44 178.05 2xil h LEU 270 N 0.27 0.00 -0.21 2.25 4.07 -0.45 -3.10 115.31 118.15 2xil h LEU 270 Ca 0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.23 2xil h LEU 270 Cb 0.36 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.10 2xil h LEU 270 CO -0.33 0.00 -0.35 -0.62 -1.08 0.00 0.00 178.44 176.06 2xil n GLU 271 N -2.48 3.57 -1.63 1.13 1.02 -0.45 -4.72 120.64 117.08 2xil n GLU 271 Ca 0.02 -0.16 -0.47 0.00 -0.02 0.00 0.00 57.16 56.53 2xil n GLU 271 Cb 0.26 -0.95 -0.03 0.00 -0.02 0.00 0.00 31.44 30.69 2xil n GLU 271 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2xil n ASN 272 N -0.94 2.11 0.00 1.62 3.02 0.42 -2.00 115.26 119.49 2xil n ASN 272 Ca 0.02 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.72 2xil n ASN 272 Cb 0.15 -1.33 0.00 0.00 -0.61 0.00 0.00 39.78 37.99 2xil n ASN 272 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2xil n GLY 273 N 2.08 1.64 3.70 7.41 0.00 -1.26 -4.46 105.19 114.29 2xil n GLY 273 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2xil n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2xil s ILE 274 N -2.33 5.00 -0.26 -0.61 1.01 -0.85 -4.09 121.20 119.08 2xil s ILE 274 Ca 0.00 0.04 -0.14 0.00 0.00 0.00 0.00 60.65 60.55 2xil s ILE 274 Cb 0.00 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 2xil s ILE 274 CO 0.00 0.49 0.33 -0.89 0.00 0.00 0.00 174.94 174.87 2xil s THR 275 N 0.06 5.22 -0.25 2.92 2.01 0.74 -4.96 115.64 121.38 2xil s THR 275 Ca 0.07 0.48 -0.15 0.00 0.31 0.00 0.00 61.69 62.40 2xil s THR 275 Cb -0.12 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 2xil s THR 275 CO 0.00 0.20 0.38 -0.36 -0.69 0.00 0.00 174.62 174.15 2xil s PHE 276 N 1.84 3.29 0.48 4.92 0.08 -1.26 -1.40 117.98 125.92 2xil s PHE 276 Ca 0.13 0.48 -0.22 0.00 0.12 0.00 0.00 56.93 57.44 2xil s PHE 276 Cb -0.15 -2.55 -0.09 0.00 -0.57 0.00 0.00 43.02 39.65 2xil s PHE 276 CO 0.09 -0.16 0.87 -2.30 -0.10 0.00 0.00 175.22 173.62 2xil n PRO 277 N 5.05 1.02 -0.04 0.24 -0.02 -1.26 -4.83 135.00 135.16 2xil n PRO 277 Ca -0.08 0.38 0.24 0.00 -2.02 0.00 0.00 63.50 62.01 2xil n PRO 277 Cb 0.51 -1.95 0.72 0.00 -0.02 0.00 0.00 33.50 32.76 2xil n PRO 277 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2xil h LYS 278 N 1.01 0.00 -0.57 -0.52 1.79 -2.01 0.33 116.57 116.60 2xil h LYS 278 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 2xil h LYS 278 Cb 1.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 2xil h LYS 278 CO 0.53 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 178.50 2xil n ASP 279 N -3.91 4.72 -4.74 0.86 5.75 -1.26 -5.00 116.55 112.96 2xil n ASP 279 Ca 0.13 -2.57 -0.32 0.00 -0.01 0.00 0.00 54.79 52.02 2xil n ASP 279 Cb 0.81 -0.57 0.10 0.00 -1.03 0.00 0.00 41.12 40.43 2xil n ASP 279 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2xil s ALA 280 N -2.06 2.13 0.77 2.12 0.00 0.12 -4.98 121.76 119.86 2xil s ALA 280 Ca 0.49 0.46 -0.14 0.00 0.00 0.00 0.00 51.96 52.77 2xil s ALA 280 Cb 0.33 -3.34 0.06 0.00 0.00 0.00 0.00 23.12 20.18 2xil s ALA 280 CO 0.21 -1.87 1.20 -2.14 0.00 0.00 0.00 175.76 173.16 2xil s PRO 281 N -4.56 1.85 0.85 0.00 0.02 -1.26 -4.97 135.00 126.93 2xil s PRO 281 Ca 0.65 1.74 -0.11 0.00 0.02 0.00 0.00 61.00 63.31 2xil s PRO 281 Cb -0.20 -1.80 0.10 0.00 0.02 0.00 0.00 34.50 32.62 2xil s PRO 281 CO 0.52 -2.05 1.13 -1.12 -0.33 0.00 0.00 177.00 175.15 2xil s SER 282 N -2.14 3.63 0.51 2.53 0.01 -1.26 -4.95 113.70 112.02 2xil s SER 282 Ca 0.73 2.05 -0.23 0.00 1.31 0.00 0.00 55.95 59.82 2xil s SER 282 Cb -0.29 -2.55 -0.06 0.00 0.21 0.00 0.00 66.02 63.33 2xil s SER 282 CO 0.49 -2.63 1.36 -2.84 0.41 0.00 0.00 173.24 170.03 2xil s PRO 283 N -4.71 3.37 0.03 12.44 0.02 -1.26 -4.94 135.00 139.95 2xil s PRO 283 Ca 0.65 2.26 -0.14 0.00 0.02 0.00 0.00 61.00 63.79 2xil s PRO 283 Cb -0.21 -2.40 -0.06 0.00 0.02 0.00 0.00 34.50 31.85 2xil s PRO 283 CO 0.56 -1.02 0.42 -0.06 -0.33 0.00 0.00 177.00 176.58 2xil s PHE 284 N -1.29 3.69 -0.31 6.54 2.99 0.55 -4.79 117.98 125.37 2xil s PHE 284 Ca 0.67 0.97 -0.00 0.00 0.00 0.00 0.00 56.93 58.57 2xil s PHE 284 Cb -0.41 -2.27 0.06 0.00 0.00 0.00 0.00 43.02 40.40 2xil s PHE 284 CO 0.49 0.60 0.01 0.42 -0.00 0.00 0.00 175.22 176.74 2xil s ILE 285 N -1.18 2.77 0.26 0.64 1.01 -1.26 -1.08 121.20 122.36 2xil s ILE 285 Ca 0.27 -1.62 -0.30 0.00 0.00 0.00 0.00 60.65 59.00 2xil s ILE 285 Cb -0.16 -2.69 -0.09 0.00 0.01 0.00 0.00 42.46 39.53 2xil s ILE 285 CO 0.15 -0.21 1.01 -0.36 0.00 0.00 0.00 174.94 175.53 2xil s PHE 286 N 1.17 3.80 0.43 3.97 0.08 -1.26 -5.04 117.98 121.13 2xil s PHE 286 Ca -0.03 1.82 -0.22 0.00 0.12 0.00 0.00 56.93 58.63 2xil s PHE 286 Cb -0.20 -3.12 -0.10 0.00 -0.57 0.00 0.00 43.02 39.03 2xil s PHE 286 CO -0.03 0.00 0.98 0.15 -0.10 0.00 0.00 175.22 176.22 2xil s LYS 287 N -1.27 4.14 0.83 0.44 -0.14 -1.26 -5.00 119.74 117.48 2xil s LYS 287 Ca 0.43 1.24 -0.12 0.00 -1.36 0.00 0.00 55.97 56.16 2xil s LYS 287 Cb -0.29 -2.25 0.09 0.00 -1.68 0.00 0.00 37.83 33.70 2xil s LYS 287 CO 0.36 -0.12 1.13 0.95 -0.76 0.00 0.00 175.35 176.91 2xil s THR 288 N -2.02 2.49 0.24 2.17 -4.23 -1.26 -4.90 115.64 108.13 2xil s THR 288 Ca 0.62 0.16 -0.07 0.00 -1.18 0.00 0.00 61.69 61.22 2xil s THR 288 Cb -0.13 -3.01 0.23 0.00 1.34 0.00 0.00 72.50 70.92 2xil s THR 288 CO 0.17 -0.21 1.91 -0.07 -0.54 0.00 0.00 174.62 175.88 2xil h LEU 289 N -1.15 1.04 -0.45 4.79 3.38 -1.96 -1.73 115.31 119.23 2xil h LEU 289 Ca -0.48 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.51 2xil h LEU 289 Cb 1.30 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 2xil h LEU 289 CO 0.63 0.74 0.22 -0.08 0.09 0.00 0.00 178.44 180.04 2xil h GLU 290 N 1.22 0.43 0.00 1.13 4.81 -1.93 0.93 114.58 121.18 2xil h GLU 290 Ca 0.35 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.52 2xil h GLU 290 Cb -0.10 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 2xil h GLU 290 CO -0.09 0.29 -0.13 0.93 -0.73 0.00 0.00 179.01 179.28 2xil h GLU 291 N 0.45 0.00 -0.01 1.92 5.08 -1.80 -2.30 114.58 117.92 2xil h GLU 291 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2xil h GLU 291 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2xil h GLU 291 CO -0.14 0.13 -0.28 1.04 -1.00 0.00 0.00 179.01 178.76 2xil n GLN 292 N -3.86 0.72 -1.82 2.33 6.02 -0.24 -4.94 117.38 115.60 2xil n GLN 292 Ca -0.02 -0.42 -0.09 0.00 -0.01 0.00 0.00 57.00 56.46 2xil n GLN 292 Cb 0.23 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.98 2xil n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2xil n GLY 293 N 1.36 0.42 0.82 1.08 0.00 0.01 -5.07 105.19 103.79 2xil n GLY 293 Ca 0.11 -0.54 0.10 0.00 0.00 0.00 0.00 46.02 45.69 2xil n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36