#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ona s ASP 2 N 0.00 5.73 -0.24 0.00 1.01 -1.26 -5.04 116.67 116.87 1ona s ASP 2 Ca 0.00 1.36 -0.06 0.00 0.71 0.00 0.00 52.55 54.56 1ona s ASP 2 Cb 0.00 -2.29 -0.02 0.00 1.01 0.00 0.00 42.92 41.62 1ona s ASP 2 CO 0.00 -1.18 0.03 -0.89 0.21 0.00 0.00 175.17 173.34 1ona s THR 3 N -3.21 3.98 -0.08 -1.27 2.01 -1.26 -5.01 115.64 110.81 1ona s THR 3 Ca 0.57 -0.28 0.04 0.00 0.31 0.00 0.00 61.69 62.32 1ona s THR 3 Cb -0.12 -2.85 0.00 0.00 0.01 0.00 0.00 72.50 69.55 1ona s THR 3 CO 0.54 0.37 -0.21 -0.63 -0.69 0.00 0.00 174.62 174.00 1ona s ILE 4 N 1.56 1.78 -0.13 1.82 -1.09 -1.26 -3.25 121.20 120.62 1ona s ILE 4 Ca 0.06 -0.87 0.00 0.00 -2.23 0.00 0.00 60.65 57.61 1ona s ILE 4 Cb -0.15 -1.54 0.02 0.00 -1.58 0.00 0.00 42.46 39.21 1ona s ILE 4 CO 0.01 0.50 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.41 1ona s VAL 5 N 0.28 1.35 0.09 2.92 1.01 -0.82 0.45 120.40 125.68 1ona s VAL 5 Ca -0.13 -0.50 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 1ona s VAL 5 Cb -0.16 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1ona s VAL 5 CO 0.06 0.42 0.15 0.00 0.00 0.00 0.00 175.10 175.73 1ona s ALA 6 N 1.51 -0.04 -0.28 5.51 0.00 -0.61 0.02 121.76 127.87 1ona s ALA 6 Ca 0.03 -0.78 -0.00 0.00 0.00 0.00 0.00 51.96 51.22 1ona s ALA 6 Cb -0.13 0.48 0.05 0.00 0.00 0.00 0.00 23.12 23.52 1ona s ALA 6 CO -0.09 -0.49 -0.05 0.08 0.00 0.00 0.00 175.76 175.21 1ona s VAL 7 N -3.89 2.69 0.03 0.00 1.01 -0.00 -0.96 120.40 119.28 1ona s VAL 7 Ca 0.07 -1.39 -0.01 0.00 0.00 0.00 0.00 61.98 60.65 1ona s VAL 7 Cb 0.05 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1ona s VAL 7 CO -0.10 -0.01 0.18 -1.83 0.00 0.00 0.00 175.10 173.34 1ona s GLU 8 N 1.22 3.36 -0.58 2.72 -1.05 -0.70 -1.77 118.70 121.90 1ona s GLU 8 Ca -0.05 -0.41 0.03 0.00 -0.15 0.00 0.00 54.97 54.39 1ona s GLU 8 Cb -0.19 -3.03 0.14 0.00 -0.44 0.00 0.00 34.13 30.62 1ona s GLU 8 CO -0.03 0.64 0.34 -0.51 0.95 0.00 0.00 175.26 176.65 1ona s LEU 9 N -2.18 4.55 -0.66 1.83 1.02 0.24 -1.28 118.68 122.20 1ona s LEU 9 Ca 0.30 -3.22 -0.23 0.00 0.02 0.00 0.00 54.13 51.00 1ona s LEU 9 Cb -0.13 -1.67 0.06 0.00 0.02 0.00 0.00 46.19 44.48 1ona s LEU 9 CO 0.22 -0.21 1.01 -0.62 0.02 0.00 0.00 176.35 176.77 1ona s ASP 10 N -0.47 6.19 0.46 2.29 -1.08 0.06 -1.89 116.67 122.24 1ona s ASP 10 Ca 0.19 -0.83 0.26 0.00 -0.52 0.00 0.00 52.55 51.65 1ona s ASP 10 Cb -0.20 -2.44 0.80 0.00 -1.46 0.00 0.00 42.92 39.61 1ona s ASP 10 CO -0.04 -1.48 1.77 0.71 0.52 0.00 0.00 175.17 176.65 1ona h THR 11 N 5.99 0.20 -3.25 1.71 1.35 -1.71 -1.98 112.91 115.22 1ona h THR 11 Ca -0.28 -0.98 -0.65 0.00 -0.55 0.00 0.00 66.41 63.95 1ona h THR 11 Cb 1.07 1.82 -0.36 0.00 -1.73 0.00 0.00 68.15 68.95 1ona h THR 11 CO 1.19 0.10 -0.84 -0.47 -0.25 0.00 0.00 175.52 175.24 1ona s TYR 12 N -3.44 2.73 -0.12 4.73 5.04 -1.23 -4.52 117.35 120.53 1ona s TYR 12 Ca 0.03 -1.69 -0.29 0.00 -2.44 0.00 0.00 57.07 52.67 1ona s TYR 12 Cb 0.08 -1.84 -0.02 0.00 0.35 0.00 0.00 41.96 40.53 1ona s TYR 12 CO 0.63 -0.79 1.28 -1.25 -1.34 0.00 0.00 175.55 174.08 1ona s PRO 13 N 1.30 4.26 -0.92 4.97 0.04 -1.26 -4.97 135.00 138.43 1ona s PRO 13 Ca 0.02 1.72 -0.02 0.00 0.04 0.00 0.00 61.00 62.76 1ona s PRO 13 Cb -0.15 -3.72 0.24 0.00 0.04 0.00 0.00 34.50 30.91 1ona s PRO 13 CO -0.11 -0.65 0.88 0.09 0.04 0.00 0.00 177.00 177.25 1ona n ASN 14 N 6.24 4.49 -0.01 6.66 4.13 -1.26 -4.91 115.26 130.60 1ona n ASN 14 Ca 0.13 -3.18 0.23 0.00 1.68 0.00 0.00 54.58 53.44 1ona n ASN 14 Cb 0.45 -1.07 0.72 0.00 -1.54 0.00 0.00 39.78 38.35 1ona n ASN 14 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 1ona h THR 15 N 3.87 0.49 0.00 3.41 2.02 -1.82 0.37 112.91 121.24 1ona h THR 15 Ca 0.17 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.28 1ona h THR 15 Cb 0.78 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1ona h THR 15 CO 0.92 0.00 -0.32 -2.24 0.37 0.00 0.00 175.52 174.24 1ona h ASP 16 N 0.00 0.00 -0.51 4.18 2.03 -1.91 -2.81 116.42 117.40 1ona h ASP 16 Ca 0.28 0.00 -0.25 0.00 -0.73 0.00 0.00 57.03 56.32 1ona h ASP 16 Cb 1.27 0.00 -0.15 0.00 -0.83 0.00 0.00 39.33 39.62 1ona h ASP 16 CO -0.00 0.32 0.11 2.30 -1.03 0.00 0.00 179.24 180.94 1ona n ILE 17 N -3.76 2.71 -0.44 4.15 -5.35 0.07 -4.94 119.36 111.81 1ona n ILE 17 Ca -0.01 -2.48 0.00 0.00 -0.27 0.00 0.00 62.75 59.99 1ona n ILE 17 Cb 0.41 -0.35 0.00 0.00 -1.74 0.00 0.00 39.64 37.96 1ona n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ona n GLY 18 N -1.07 0.77 3.80 3.28 0.00 -1.06 -4.75 105.19 106.15 1ona n GLY 18 Ca 0.39 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.05 1ona n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ona s ASP 19 N -2.18 7.21 1.05 1.61 1.11 -0.90 -4.92 116.67 119.65 1ona s ASP 19 Ca 0.00 1.69 -0.13 0.00 0.18 0.00 0.00 52.55 54.29 1ona s ASP 19 Cb 0.00 -2.52 0.22 0.00 1.07 0.00 0.00 42.92 41.68 1ona s ASP 19 CO 0.00 -0.07 1.08 -2.16 1.18 0.00 0.00 175.17 175.21 1ona s PRO 20 N -2.16 -0.01 0.00 8.23 0.04 -1.26 -3.83 135.00 136.01 1ona s PRO 20 Ca 0.49 0.47 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1ona s PRO 20 Cb -0.17 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1ona s PRO 20 CO 0.22 -3.02 1.13 0.43 0.04 0.00 0.00 177.00 175.80 1ona n SER 21 N -4.37 3.22 -3.53 6.66 7.64 -1.26 -4.55 113.62 117.44 1ona n SER 21 Ca 0.05 -1.89 -0.08 0.00 1.01 0.00 0.00 58.87 57.97 1ona n SER 21 Cb 0.57 -0.60 -0.02 0.00 -1.01 0.00 0.00 64.21 63.15 1ona n SER 21 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1ona s TYR 22 N 0.17 -0.33 0.47 1.43 -0.85 -1.26 -4.98 117.35 112.00 1ona s TYR 22 Ca 0.00 0.16 -0.24 0.00 -0.52 0.00 0.00 57.07 56.48 1ona s TYR 22 Cb 0.00 0.55 -0.08 0.00 0.38 0.00 0.00 41.96 42.81 1ona s TYR 22 CO 0.00 -0.61 1.24 -2.30 -1.52 0.00 0.00 175.55 172.36 1ona n PRO 23 N -0.29 1.72 -3.90 -3.49 -0.02 -1.26 -4.56 135.00 123.20 1ona n PRO 23 Ca -0.09 0.62 -0.09 0.00 -2.02 0.00 0.00 63.50 61.92 1ona n PRO 23 Cb 0.62 -2.39 -0.05 0.00 -0.02 0.00 0.00 33.50 31.66 1ona n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1ona s HIS 24 N -1.26 0.16 0.09 6.00 -3.43 -0.74 -1.23 115.29 114.87 1ona s HIS 24 Ca 0.65 -0.52 0.08 0.00 -0.80 0.00 0.00 55.06 54.47 1ona s HIS 24 Cb -0.48 0.28 -0.04 0.00 -1.43 0.00 0.00 32.58 30.92 1ona s HIS 24 CO 0.54 -0.97 -0.18 0.96 -2.00 0.00 0.00 174.74 173.10 1ona s ILE 25 N -3.96 2.85 0.29 -5.38 -4.36 -0.18 -0.76 121.20 109.71 1ona s ILE 25 Ca 0.16 -1.38 -0.12 0.00 -0.26 0.00 0.00 60.65 59.05 1ona s ILE 25 Cb -0.01 -2.27 0.01 0.00 1.25 0.00 0.00 42.46 41.44 1ona s ILE 25 CO 0.04 0.18 0.55 -0.83 0.24 0.00 0.00 174.94 175.13 1ona s GLY 26 N -1.90 0.63 -0.24 6.27 0.00 -0.40 -0.95 107.32 110.74 1ona s GLY 26 Ca 0.17 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 43.98 1ona s GLY 26 CO 0.09 -0.59 -0.12 -0.42 0.00 0.00 0.00 173.10 172.05 1ona s ILE 27 N -3.57 2.31 -0.25 0.90 1.01 -0.04 -1.72 121.20 119.84 1ona s ILE 27 Ca 0.22 -1.30 -0.09 0.00 0.00 0.00 0.00 60.65 59.48 1ona s ILE 27 Cb -0.02 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 1ona s ILE 27 CO 0.11 0.18 0.11 -1.81 0.00 0.00 0.00 174.94 173.54 1ona s ASP 28 N 1.21 5.56 -0.40 3.58 1.01 -0.13 0.42 116.67 127.92 1ona s ASP 28 Ca -0.03 -0.08 0.01 0.00 0.71 0.00 0.00 52.55 53.16 1ona s ASP 28 Cb -0.17 -2.01 0.11 0.00 1.01 0.00 0.00 42.92 41.86 1ona s ASP 28 CO -0.07 -0.01 0.15 -0.63 0.21 0.00 0.00 175.17 174.82 1ona s ILE 29 N 1.46 2.72 -1.45 0.77 -1.09 -1.26 -1.57 121.20 120.78 1ona s ILE 29 Ca 0.06 -2.40 -0.02 0.00 -2.23 0.00 0.00 60.65 56.06 1ona s ILE 29 Cb -0.15 -2.93 0.01 0.00 -1.58 0.00 0.00 42.46 37.81 1ona s ILE 29 CO 0.06 -0.67 0.15 0.29 -1.23 0.00 0.00 174.94 173.54 1ona n LYS 30 N 4.19 -2.60 -3.64 2.79 5.02 0.17 -4.92 118.16 119.18 1ona n LYS 30 Ca 0.02 0.80 -0.10 0.00 -2.02 0.00 0.00 58.31 57.02 1ona n LYS 30 Cb 0.40 -5.48 -0.07 0.00 -0.02 0.00 0.00 35.03 29.86 1ona n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ona s SER 31 N -2.22 -0.49 0.21 4.39 0.15 -1.26 -4.96 113.70 109.52 1ona s SER 31 Ca 0.09 0.93 0.24 0.00 0.70 0.00 0.00 55.95 57.92 1ona s SER 31 Cb -0.04 0.94 0.91 0.00 -1.71 0.00 0.00 66.02 66.12 1ona s SER 31 CO 0.11 -0.17 1.73 0.55 1.20 0.00 0.00 173.24 176.67 1ona n VAL 32 N 2.25 0.71 -2.82 4.45 3.14 -1.26 -4.40 118.33 120.40 1ona n VAL 32 Ca -0.13 0.03 -0.43 0.00 -2.96 0.00 0.00 64.34 60.85 1ona n VAL 32 Cb 0.56 -0.90 -0.03 0.00 -1.06 0.00 0.00 33.84 32.40 1ona n VAL 32 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1ona s ARG 33 N -3.20 3.37 0.05 1.45 0.52 -1.26 -4.98 118.95 114.90 1ona s ARG 33 Ca 0.07 -1.18 -0.37 0.00 -0.52 0.00 0.00 55.73 53.74 1ona s ARG 33 Cb 0.11 -4.64 -0.19 0.00 0.52 0.00 0.00 34.95 30.75 1ona s ARG 33 CO 0.47 -1.88 0.97 0.43 0.02 0.00 0.00 175.30 175.30 1ona n SER 34 N 7.57 -0.15 0.22 0.23 7.64 -1.26 -4.81 113.62 123.05 1ona n SER 34 Ca 0.12 1.15 0.09 0.00 1.01 0.00 0.00 58.87 61.25 1ona n SER 34 Cb 0.48 -0.95 0.46 0.00 -1.01 0.00 0.00 64.21 63.19 1ona n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1ona h LYS 35 N 2.65 0.00 -2.24 1.43 1.79 -0.36 -3.44 116.57 116.39 1ona h LYS 35 Ca -0.46 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 57.97 1ona h LYS 35 Cb 1.42 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.85 1ona h LYS 35 CO 0.64 0.25 -0.05 0.21 -1.08 0.00 0.00 179.45 179.42 1ona s LYS 36 N -3.70 0.65 0.39 3.15 2.47 -1.23 -4.99 119.74 116.47 1ona s LYS 36 Ca 0.00 0.97 0.03 0.00 -1.56 0.00 0.00 55.97 55.42 1ona s LYS 36 Cb 0.11 0.20 -0.04 0.00 -1.46 0.00 0.00 37.83 36.64 1ona s LYS 36 CO 0.64 -0.12 0.09 0.95 0.16 0.00 0.00 175.35 177.07 1ona s THR 37 N 1.00 0.87 -0.13 3.43 -4.23 -1.26 -0.86 115.64 114.46 1ona s THR 37 Ca -0.05 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.22 1ona s THR 37 Cb -0.05 -2.49 0.06 0.00 1.34 0.00 0.00 72.50 71.35 1ona s THR 37 CO -0.09 0.00 0.58 0.00 -0.54 0.00 0.00 174.62 174.57 1ona s ALA 38 N -3.21 -1.47 0.44 3.99 0.00 -0.12 -4.96 121.76 116.44 1ona s ALA 38 Ca 0.27 1.34 -0.24 0.00 0.00 0.00 0.00 51.96 53.32 1ona s ALA 38 Cb 0.05 -0.47 -0.08 0.00 0.00 0.00 0.00 23.12 22.62 1ona s ALA 38 CO 0.14 -0.31 1.25 0.21 0.00 0.00 0.00 175.76 177.05 1ona s LYS 39 N -0.48 3.78 -0.07 0.00 2.20 -1.26 -1.01 119.74 122.90 1ona s LYS 39 Ca -0.06 2.00 -0.01 0.00 -0.36 0.00 0.00 55.97 57.54 1ona s LYS 39 Cb -0.03 -2.56 0.03 0.00 -1.51 0.00 0.00 37.83 33.76 1ona s LYS 39 CO 0.05 -0.60 0.00 -0.46 -0.36 0.00 0.00 175.35 173.98 1ona s TRP 40 N -1.38 0.66 -1.07 4.03 -0.00 -0.37 -4.71 118.94 116.10 1ona s TRP 40 Ca 0.61 -0.16 -0.17 0.00 -0.00 0.00 0.00 56.10 56.39 1ona s TRP 40 Cb -0.34 -0.79 0.14 0.00 -0.00 0.00 0.00 33.47 32.48 1ona s TRP 40 CO 0.43 -0.32 1.31 -0.80 -0.00 0.00 0.00 176.95 177.57 1ona s ASN 41 N 1.93 6.83 0.30 5.86 -0.87 -1.26 -4.37 114.94 123.36 1ona s ASN 41 Ca 0.04 -2.45 -0.29 0.00 -1.57 0.00 0.00 52.86 48.59 1ona s ASN 41 Cb -0.12 -2.42 -0.11 0.00 -0.02 0.00 0.00 41.25 38.58 1ona s ASN 41 CO -0.05 -0.95 1.44 -0.32 -2.57 0.00 0.00 177.10 174.65 1ona s MET 42 N 2.39 4.23 -0.49 -0.60 1.75 -1.26 -4.99 119.30 120.34 1ona s MET 42 Ca 0.39 2.38 -0.03 0.00 -1.25 0.00 0.00 55.69 57.18 1ona s MET 42 Cb -0.03 -3.05 0.13 0.00 2.84 0.00 0.00 34.83 34.71 1ona s MET 42 CO -0.04 -0.42 0.29 -0.65 -0.65 0.00 0.00 175.02 173.55 1ona s GLN 43 N -1.13 2.21 0.07 4.11 -0.21 -1.26 -5.06 119.66 118.38 1ona s GLN 43 Ca 0.56 -2.09 -0.34 0.00 0.02 0.00 0.00 55.36 53.50 1ona s GLN 43 Cb -0.43 -3.64 -0.13 0.00 1.00 0.00 0.00 33.01 29.81 1ona s GLN 43 CO 0.51 -1.11 1.66 -1.71 -2.12 0.00 0.00 175.29 172.51 1ona n ASN 44 N 4.17 3.09 0.00 5.90 5.15 -1.26 -1.70 115.26 130.62 1ona n ASN 44 Ca 0.01 1.05 0.00 0.00 -0.60 0.00 0.00 54.58 55.05 1ona n ASN 44 Cb 0.40 -1.39 0.00 0.00 -0.53 0.00 0.00 39.78 38.26 1ona n ASN 44 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ona n GLY 45 N 3.66 2.22 3.92 8.20 0.00 -0.00 -4.97 105.19 118.22 1ona n GLY 45 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1ona n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ona s LYS 46 N -0.61 3.45 -0.17 1.61 -0.14 -0.69 -4.93 119.74 118.25 1ona s LYS 46 Ca 0.00 -0.41 -0.26 0.00 -1.36 0.00 0.00 55.97 53.94 1ona s LYS 46 Cb 0.00 -3.04 -0.01 0.00 -1.68 0.00 0.00 37.83 33.10 1ona s LYS 46 CO 0.00 0.62 0.89 0.08 -0.76 0.00 0.00 175.35 176.18 1ona s VAL 47 N -1.48 4.83 0.52 3.17 1.01 -1.26 -4.19 120.40 123.00 1ona s VAL 47 Ca 0.34 1.75 0.08 0.00 0.00 0.00 0.00 61.98 64.15 1ona s VAL 47 Cb -0.13 -4.19 0.05 0.00 0.00 0.00 0.00 36.38 32.11 1ona s VAL 47 CO 0.26 -0.02 0.58 -0.83 0.00 0.00 0.00 175.10 175.10 1ona s GLY 48 N 1.17 2.02 -0.02 4.51 0.00 -0.26 -4.58 107.32 110.16 1ona s GLY 48 Ca 0.40 -1.78 -0.01 0.00 0.00 0.00 0.00 44.72 43.34 1ona s GLY 48 CO 0.12 -1.75 0.04 -1.59 0.00 0.00 0.00 173.10 169.92 1ona s THR 49 N -2.63 -0.02 -0.05 0.90 2.01 -0.39 -1.70 115.64 113.76 1ona s THR 49 Ca 0.50 0.08 0.04 0.00 0.31 0.00 0.00 61.69 62.62 1ona s THR 49 Cb -0.05 -0.08 -0.00 0.00 0.01 0.00 0.00 72.50 72.39 1ona s THR 49 CO 0.31 0.03 -0.17 0.00 -0.69 0.00 0.00 174.62 174.10 1ona s ALA 50 N 0.40 1.57 -0.13 7.40 0.00 -0.68 -0.67 121.76 129.65 1ona s ALA 50 Ca -0.03 -0.69 0.03 0.00 0.00 0.00 0.00 51.96 51.27 1ona s ALA 50 Cb -0.05 -0.55 0.01 0.00 0.00 0.00 0.00 23.12 22.54 1ona s ALA 50 CO -0.01 0.26 -0.21 -1.01 0.00 0.00 0.00 175.76 174.79 1ona s HIS 51 N 0.15 2.55 0.04 0.00 3.76 -0.08 -2.50 115.29 119.20 1ona s HIS 51 Ca -0.07 -1.25 0.09 0.00 -0.15 0.00 0.00 55.06 53.68 1ona s HIS 51 Cb -0.13 -1.74 -0.03 0.00 1.11 0.00 0.00 32.58 31.79 1ona s HIS 51 CO 0.03 -0.57 -0.26 0.42 -0.85 0.00 0.00 174.74 173.50 1ona s ILE 52 N 0.79 2.14 -0.05 0.60 1.09 -0.48 -0.56 121.20 124.72 1ona s ILE 52 Ca -0.08 -1.37 -0.15 0.00 -1.10 0.00 0.00 60.65 57.95 1ona s ILE 52 Cb -0.16 -1.82 0.03 0.00 -1.06 0.00 0.00 42.46 39.45 1ona s ILE 52 CO -0.01 0.38 0.34 0.27 -0.10 0.00 0.00 174.94 175.83 1ona s ILE 53 N -0.79 0.04 -0.05 2.92 -4.36 0.32 -1.70 121.20 117.59 1ona s ILE 53 Ca 0.12 -0.31 -0.15 0.00 -0.26 0.00 0.00 60.65 60.05 1ona s ILE 53 Cb -0.10 -0.60 0.03 0.00 1.25 0.00 0.00 42.46 43.04 1ona s ILE 53 CO 0.02 -0.17 0.34 -0.47 0.24 0.00 0.00 174.94 174.90 1ona s TYR 54 N -0.85 -0.26 -0.06 1.37 5.04 -0.78 -0.84 117.35 120.98 1ona s TYR 54 Ca -0.09 0.49 -0.11 0.00 -2.44 0.00 0.00 57.07 54.92 1ona s TYR 54 Cb -0.04 0.12 0.02 0.00 0.35 0.00 0.00 41.96 42.41 1ona s TYR 54 CO 0.03 -0.34 0.26 0.54 -1.34 0.00 0.00 175.55 174.70 1ona s ASN 55 N -0.91 -0.20 0.40 4.32 2.20 -1.26 -2.13 114.94 117.36 1ona s ASN 55 Ca -0.10 0.29 0.29 0.00 -0.94 0.00 0.00 52.86 52.40 1ona s ASN 55 Cb -0.04 0.43 1.27 0.00 -2.00 0.00 0.00 41.25 40.90 1ona s ASN 55 CO 0.03 -0.24 1.86 0.77 -2.94 0.00 0.00 177.10 176.58 1ona h SER 56 N 4.93 0.00 0.13 3.54 4.64 -0.36 0.18 113.55 126.61 1ona h SER 56 Ca -0.28 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 1ona h SER 56 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1ona h SER 56 CO 0.37 0.00 -0.06 0.58 -0.87 0.00 0.00 176.83 176.84 1ona h VAL 57 N 0.00 1.05 0.06 0.95 2.07 -1.87 -3.34 116.25 115.17 1ona h VAL 57 Ca 0.00 -0.94 -0.29 0.00 0.82 0.00 0.00 66.70 66.30 1ona h VAL 57 Cb 0.34 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1ona h VAL 57 CO 0.00 0.21 -1.51 0.44 0.02 0.00 0.00 177.57 176.74 1ona h ASP 58 N -0.63 0.19 -5.55 0.57 3.32 -1.97 -3.48 116.42 108.88 1ona h ASP 58 Ca -0.02 -0.29 -0.37 0.00 0.02 0.00 0.00 57.03 56.37 1ona h ASP 58 Cb 0.48 -0.06 0.13 0.00 0.22 0.00 0.00 39.33 40.11 1ona h ASP 58 CO 0.03 1.25 -0.65 0.29 -1.72 0.00 0.00 179.24 178.44 1ona n LYS 59 N -3.31 -7.40 -5.19 3.56 5.02 0.62 -4.89 118.16 106.58 1ona n LYS 59 Ca -0.14 0.78 -0.32 0.00 -2.02 0.00 0.00 58.31 56.62 1ona n LYS 59 Cb 1.02 -5.69 -0.17 0.00 -0.02 0.00 0.00 35.03 30.18 1ona n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1ona s ARG 60 N -6.14 2.97 -0.29 1.97 3.52 -1.26 -0.82 118.95 118.91 1ona s ARG 60 Ca 0.50 -0.86 -0.11 0.00 -0.13 0.00 0.00 55.73 55.13 1ona s ARG 60 Cb -0.22 -2.25 -0.04 0.00 -1.56 0.00 0.00 34.95 30.88 1ona s ARG 60 CO 0.69 0.18 0.19 -1.17 -0.81 0.00 0.00 175.30 174.37 1ona s LEU 61 N 0.35 4.06 0.17 -0.88 2.96 -0.42 -4.04 118.68 120.87 1ona s LEU 61 Ca -0.19 -0.13 0.10 0.00 -0.22 0.00 0.00 54.13 53.69 1ona s LEU 61 Cb -0.18 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 1ona s LEU 61 CO 0.09 -0.09 -0.20 -0.44 -1.32 0.00 0.00 176.35 174.38 1ona s SER 62 N 1.73 2.94 -0.01 3.68 0.01 -0.02 -0.89 113.70 121.15 1ona s SER 62 Ca 0.07 -0.85 -0.09 0.00 1.31 0.00 0.00 55.95 56.38 1ona s SER 62 Cb -0.16 -0.19 0.01 0.00 0.21 0.00 0.00 66.02 65.89 1ona s SER 62 CO 0.10 0.03 0.19 0.00 0.41 0.00 0.00 173.24 173.96 1ona s ALA 63 N -1.86 -0.46 -0.05 1.44 0.00 -0.39 -0.52 121.76 119.92 1ona s ALA 63 Ca 0.17 0.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.16 1ona s ALA 63 Cb -0.07 0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.15 1ona s ALA 63 CO 0.08 -0.21 0.09 0.08 0.00 0.00 0.00 175.76 175.79 1ona s VAL 64 N -1.24 -0.13 -0.11 0.00 1.01 0.28 -2.07 120.40 118.13 1ona s VAL 64 Ca -0.13 0.35 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 1ona s VAL 64 Cb -0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 36.11 1ona s VAL 64 CO 0.02 0.14 -0.09 -0.69 0.00 0.00 0.00 175.10 174.49 1ona s VAL 65 N 1.90 3.49 0.01 2.92 1.01 -0.29 -0.90 120.40 128.54 1ona s VAL 65 Ca 0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.33 1ona s VAL 65 Cb -0.12 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.81 1ona s VAL 65 CO -0.04 0.54 0.28 -0.94 0.00 0.00 0.00 175.10 174.94 1ona s SER 66 N -0.08 -0.12 0.09 3.32 1.04 0.16 -1.06 113.70 117.05 1ona s SER 66 Ca -0.00 -0.09 0.10 0.00 0.48 0.00 0.00 55.95 56.43 1ona s SER 66 Cb -0.13 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 1ona s SER 66 CO 0.03 -0.52 -0.25 -0.31 0.98 0.00 0.00 173.24 173.18 1ona s TYR 67 N -1.93 2.37 0.41 5.02 2.02 -1.26 -1.26 117.35 122.71 1ona s TYR 67 Ca -0.10 -0.36 -0.27 0.00 -0.37 0.00 0.00 57.07 55.97 1ona s TYR 67 Cb -0.03 -1.33 -0.10 0.00 -0.40 0.00 0.00 41.96 40.10 1ona s TYR 67 CO 0.00 0.27 1.44 -1.25 -1.57 0.00 0.00 175.55 174.44 1ona s PRO 68 N -1.75 3.95 -1.58 -1.71 0.04 -1.26 -2.54 135.00 130.14 1ona s PRO 68 Ca 0.14 2.45 0.00 0.00 0.04 0.00 0.00 61.00 63.63 1ona s PRO 68 Cb -0.10 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.60 1ona s PRO 68 CO 0.05 -0.62 0.00 0.09 0.04 0.00 0.00 177.00 176.56 1ona n ASN 69 N 0.19 -5.18 -3.97 6.66 5.03 -1.26 -4.98 115.26 111.76 1ona n ASN 69 Ca 0.03 0.06 -0.08 0.00 0.87 0.00 0.00 54.58 55.45 1ona n ASN 69 Cb 0.41 -4.25 -0.09 0.00 -1.02 0.00 0.00 39.78 34.82 1ona n ASN 69 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ona s ALA 70 N -2.85 0.09 0.76 5.41 0.00 -1.05 -5.14 121.76 118.98 1ona s ALA 70 Ca 0.00 -0.79 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 1ona s ALA 70 Cb 0.00 0.31 0.05 0.00 0.00 0.00 0.00 23.12 23.48 1ona s ALA 70 CO 0.00 -0.38 1.10 -0.51 0.00 0.00 0.00 175.76 175.98 1ona s ASP 71 N -2.54 4.45 0.27 0.00 1.11 -1.26 -4.60 116.67 114.10 1ona s ASP 71 Ca 0.01 1.91 0.07 0.00 0.18 0.00 0.00 52.55 54.72 1ona s ASP 71 Cb 0.03 -2.53 -0.03 0.00 1.07 0.00 0.00 42.92 41.45 1ona s ASP 71 CO -0.08 -2.07 0.25 -0.94 1.18 0.00 0.00 175.17 173.51 1ona s SER 72 N -3.12 5.58 -0.03 0.27 1.04 -1.26 -4.51 113.70 111.67 1ona s SER 72 Ca 0.63 -0.27 0.02 0.00 0.48 0.00 0.00 55.95 56.81 1ona s SER 72 Cb -0.19 -1.35 -0.03 0.00 0.10 0.00 0.00 66.02 64.55 1ona s SER 72 CO 0.53 -0.13 -0.05 0.00 0.98 0.00 0.00 173.24 174.58 1ona s ALA 73 N -2.16 3.09 -0.00 5.32 0.00 -0.22 -4.96 121.76 122.83 1ona s ALA 73 Ca 0.35 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.38 1ona s ALA 73 Cb -0.08 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 21.80 1ona s ALA 73 CO 0.26 0.61 -0.02 0.99 0.00 0.00 0.00 175.76 177.60 1ona s THR 74 N -0.95 0.16 -0.03 0.00 2.01 -1.26 -1.14 115.64 114.44 1ona s THR 74 Ca 0.16 -0.07 -0.02 0.00 0.31 0.00 0.00 61.69 62.07 1ona s THR 74 Cb -0.11 -0.16 0.01 0.00 0.01 0.00 0.00 72.50 72.25 1ona s THR 74 CO 0.06 0.06 0.07 0.54 -0.69 0.00 0.00 174.62 174.65 1ona s VAL 75 N 0.07 -0.01 0.02 3.82 0.11 -0.88 -4.81 120.40 118.72 1ona s VAL 75 Ca -0.00 0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.09 1ona s VAL 75 Cb -0.02 -0.11 -0.01 0.00 -1.53 0.00 0.00 36.38 34.71 1ona s VAL 75 CO -0.00 0.01 -0.05 -0.44 -3.33 0.00 0.00 175.10 171.29 1ona s SER 76 N 0.20 0.60 -0.11 3.54 0.01 -1.26 -1.26 113.70 115.41 1ona s SER 76 Ca -0.01 -0.31 -0.05 0.00 1.31 0.00 0.00 55.95 56.88 1ona s SER 76 Cb -0.02 0.00 0.05 0.00 0.21 0.00 0.00 66.02 66.26 1ona s SER 76 CO -0.01 -0.09 0.24 -0.47 0.41 0.00 0.00 173.24 173.32 1ona s TYR 77 N -0.77 -0.34 -0.21 2.43 5.04 -0.07 -4.94 117.35 118.49 1ona s TYR 77 Ca -0.05 0.82 -0.29 0.00 -2.44 0.00 0.00 57.07 55.10 1ona s TYR 77 Cb -0.06 -0.01 -0.03 0.00 0.35 0.00 0.00 41.96 42.21 1ona s TYR 77 CO -0.00 -0.27 1.67 -0.51 -1.34 0.00 0.00 175.55 175.10 1ona s ASP 78 N 1.70 6.32 -0.19 4.32 1.01 -1.26 -1.31 116.67 127.27 1ona s ASP 78 Ca -0.05 1.69 -0.13 0.00 0.71 0.00 0.00 52.55 54.77 1ona s ASP 78 Cb -0.11 -2.53 0.06 0.00 1.01 0.00 0.00 42.92 41.35 1ona s ASP 78 CO -0.08 -1.29 0.49 0.54 0.21 0.00 0.00 175.17 175.03 1ona s VAL 79 N 5.36 -0.01 -0.61 -1.27 0.11 0.00 -4.98 120.40 119.00 1ona s VAL 79 Ca 0.74 0.04 -0.18 0.00 -2.93 0.00 0.00 61.98 59.65 1ona s VAL 79 Cb -0.26 -0.70 0.12 0.00 -1.53 0.00 0.00 36.38 34.00 1ona s VAL 79 CO 0.30 0.02 0.69 -0.62 -3.33 0.00 0.00 175.10 172.16 1ona s ASP 80 N 0.99 6.23 0.09 3.54 -1.08 -1.26 -4.31 116.67 120.87 1ona s ASP 80 Ca -0.06 -1.59 0.09 0.00 -0.52 0.00 0.00 52.55 50.47 1ona s ASP 80 Cb -0.06 -2.28 0.44 0.00 -1.46 0.00 0.00 42.92 39.55 1ona s ASP 80 CO -0.09 -1.04 1.27 0.18 0.52 0.00 0.00 175.17 176.02 1ona n LEU 81 N 6.02 0.18 0.19 -1.34 4.77 -1.26 -1.58 117.00 123.98 1ona n LEU 81 Ca -0.08 0.57 0.07 0.00 -0.03 0.00 0.00 56.01 56.55 1ona n LEU 81 Cb 0.42 -0.59 0.31 0.00 -2.33 0.00 0.00 43.42 41.24 1ona n LEU 81 CO 0.56 -0.58 0.69 0.44 -1.33 0.00 0.00 177.39 177.17 1ona h ASP 82 N 0.00 0.00 0.10 -1.43 3.32 -1.92 -0.20 116.42 116.29 1ona h ASP 82 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ona h ASP 82 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1ona h ASP 82 CO 0.00 0.32 -0.44 0.59 -1.72 0.00 0.00 179.24 177.99 1ona n ASN 83 N -3.37 1.51 -0.05 6.45 3.02 -0.62 -4.60 115.26 117.60 1ona n ASN 83 Ca 0.01 -1.19 -0.10 0.00 -0.03 0.00 0.00 54.58 53.28 1ona n ASN 83 Cb 0.53 0.38 -0.03 0.00 -0.61 0.00 0.00 39.78 40.05 1ona n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1ona n VAL 84 N -0.44 1.28 -3.59 2.41 0.31 -1.01 -5.06 118.33 112.23 1ona n VAL 84 Ca 0.10 0.10 -0.22 0.00 -0.01 0.00 0.00 64.34 64.31 1ona n VAL 84 Cb 0.41 -1.98 -0.01 0.00 -0.91 0.00 0.00 33.84 31.35 1ona n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1ona s LEU 85 N -7.40 4.09 0.60 7.52 1.43 -0.12 -4.99 118.68 119.80 1ona s LEU 85 Ca -0.20 0.18 -0.08 0.00 -1.03 0.00 0.00 54.13 52.99 1ona s LEU 85 Cb 0.05 -3.02 -0.02 0.00 0.03 0.00 0.00 46.19 43.23 1ona s LEU 85 CO 0.28 -0.27 0.95 -2.16 0.23 0.00 0.00 176.35 175.38 1ona s PRO 86 N -4.18 3.25 0.24 1.29 0.04 -1.26 -4.65 135.00 129.73 1ona s PRO 86 Ca 0.39 0.36 -0.06 0.00 0.04 0.00 0.00 61.00 61.73 1ona s PRO 86 Cb -0.09 -2.19 0.44 0.00 0.04 0.00 0.00 34.50 32.70 1ona s PRO 86 CO 0.33 -0.61 1.68 0.93 0.04 0.00 0.00 177.00 179.36 1ona h GLU 87 N -0.22 0.23 -5.39 4.56 5.08 -1.94 -3.40 114.58 113.50 1ona h GLU 87 Ca -0.45 -0.01 -0.64 0.00 -1.00 0.00 0.00 59.36 57.26 1ona h GLU 87 Cb 1.22 -0.05 -0.19 0.00 0.50 0.00 0.00 28.75 30.23 1ona h GLU 87 CO 0.62 0.15 -0.63 -1.58 -1.00 0.00 0.00 179.01 176.57 1ona s TRP 88 N -6.06 3.11 0.33 4.33 0.52 -1.26 0.24 118.94 120.15 1ona s TRP 88 Ca -0.13 -0.11 0.06 0.00 0.02 0.00 0.00 56.10 55.94 1ona s TRP 88 Cb 0.21 -1.97 -0.03 0.00 -1.15 0.00 0.00 33.47 30.53 1ona s TRP 88 CO 0.75 0.09 0.24 0.14 0.02 0.00 0.00 176.95 178.20 1ona s VAL 89 N 0.19 0.11 0.07 4.03 -7.23 -0.23 -4.18 120.40 113.17 1ona s VAL 89 Ca 0.00 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.24 1ona s VAL 89 Cb -0.13 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 1ona s VAL 89 CO 0.02 0.00 -0.18 -0.13 -0.31 0.00 0.00 175.10 174.50 1ona s ARG 90 N -3.55 1.09 0.03 4.82 0.52 -0.55 0.44 118.95 121.74 1ona s ARG 90 Ca 0.37 -1.00 0.09 0.00 -0.52 0.00 0.00 55.73 54.67 1ona s ARG 90 Cb 0.03 -1.22 -0.03 0.00 0.52 0.00 0.00 34.95 34.25 1ona s ARG 90 CO 0.24 0.29 -0.25 0.14 0.02 0.00 0.00 175.30 175.74 1ona s VAL 91 N -1.05 2.25 0.15 3.52 -7.23 -1.26 -1.39 120.40 115.39 1ona s VAL 91 Ca 0.04 -1.30 -0.09 0.00 -1.81 0.00 0.00 61.98 58.82 1ona s VAL 91 Cb -0.09 -1.88 0.03 0.00 0.56 0.00 0.00 36.38 35.00 1ona s VAL 91 CO 0.03 0.40 0.45 0.61 -0.31 0.00 0.00 175.10 176.27 1ona n GLY 92 N 1.84 1.25 3.42 2.32 0.00 -0.61 -1.01 105.19 112.41 1ona n GLY 92 Ca -0.17 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.46 1ona n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ona s LEU 93 N 0.00 2.44 0.05 0.99 1.43 0.21 -1.03 118.68 122.77 1ona s LEU 93 Ca 0.09 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1ona s LEU 93 Cb -0.02 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 1ona s LEU 93 CO 0.05 0.23 -0.02 -0.55 0.23 0.00 0.00 176.35 176.28 1ona s SER 94 N -1.58 0.46 -0.12 2.29 0.15 -0.06 -0.84 113.70 113.99 1ona s SER 94 Ca 0.14 -0.95 -0.30 0.00 0.70 0.00 0.00 55.95 55.54 1ona s SER 94 Cb -0.10 0.20 0.11 0.00 -1.71 0.00 0.00 66.02 64.51 1ona s SER 94 CO 0.05 -0.58 0.91 0.00 1.20 0.00 0.00 173.24 174.82 1ona s ALA 95 N -3.72 -1.88 0.20 5.45 0.00 -0.72 -1.06 121.76 120.03 1ona s ALA 95 Ca 0.05 1.49 -0.06 0.00 0.00 0.00 0.00 51.96 53.45 1ona s ALA 95 Cb 0.06 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1ona s ALA 95 CO -0.09 -0.34 0.25 -1.54 0.00 0.00 0.00 175.76 174.03 1ona s SER 96 N -1.18 0.08 0.20 0.00 1.04 -1.15 -2.09 113.70 110.60 1ona s SER 96 Ca -0.04 -1.17 -0.00 0.00 0.48 0.00 0.00 55.95 55.22 1ona s SER 96 Cb -0.00 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 1ona s SER 96 CO 0.04 -0.93 0.10 0.42 0.98 0.00 0.00 173.24 173.85 1ona s THR 97 N -4.08 0.15 0.00 2.02 -4.23 -0.38 -0.55 115.64 108.58 1ona s THR 97 Ca 0.30 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 1ona s THR 97 Cb 0.04 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.47 1ona s THR 97 CO 0.09 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1ona n GLY 98 N -0.27 4.27 0.27 3.99 0.00 -1.26 -0.07 105.19 112.12 1ona n GLY 98 Ca -0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 1ona n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ona h LEU 99 N 0.00 0.93-10.06 0.99 5.85 -1.97 0.18 115.31 111.22 1ona h LEU 99 Ca 0.00 -0.32 -0.53 0.00 0.84 0.00 0.00 57.88 57.86 1ona h LEU 99 Cb 0.00 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1ona h LEU 99 CO 0.00 1.03 -0.44 -0.31 -0.34 0.00 0.00 178.44 178.38 1ona s TYR 100 N -4.95 3.48 0.29 1.25 2.02 -1.26 -4.86 117.35 113.33 1ona s TYR 100 Ca -0.12 0.14 0.03 0.00 -0.37 0.00 0.00 57.07 56.75 1ona s TYR 100 Cb 0.12 -1.69 -0.04 0.00 -0.40 0.00 0.00 41.96 39.96 1ona s TYR 100 CO 0.84 0.49 0.16 -1.59 -1.57 0.00 0.00 175.55 173.88 1ona s LYS 101 N -3.33 1.56 -0.07 -0.62 -2.85 -1.25 -4.28 119.74 108.91 1ona s LYS 101 Ca 0.35 -1.88 -0.31 0.00 -1.00 0.00 0.00 55.97 53.13 1ona s LYS 101 Cb -0.11 -0.04 0.11 0.00 -2.06 0.00 0.00 37.83 35.73 1ona s LYS 101 CO 0.29 -0.45 1.01 -1.83 0.10 0.00 0.00 175.35 174.46 1ona s GLU 102 N -3.83 0.64 0.32 1.78 -1.05 -1.07 -3.29 118.70 112.19 1ona s GLU 102 Ca 0.36 -0.24 -0.22 0.00 -0.15 0.00 0.00 54.97 54.72 1ona s GLU 102 Cb 0.05 0.29 -0.10 0.00 -0.44 0.00 0.00 34.13 33.94 1ona s GLU 102 CO 0.17 -0.28 0.86 0.95 0.95 0.00 0.00 175.26 177.92 1ona s THR 103 N -2.87 4.40 -0.52 1.83 -4.23 0.35 -4.78 115.64 109.82 1ona s THR 103 Ca 0.07 1.51 0.07 0.00 -1.18 0.00 0.00 61.69 62.16 1ona s THR 103 Cb -0.01 -3.84 0.34 0.00 1.34 0.00 0.00 72.50 70.34 1ona s THR 103 CO -0.07 0.02 0.89 0.59 -0.54 0.00 0.00 174.62 175.51 1ona n ASN 104 N 0.24 3.42 -4.69 3.99 4.13 -1.26 -3.45 115.26 117.63 1ona n ASN 104 Ca 0.02 -3.49 -0.42 0.00 1.68 0.00 0.00 54.58 52.37 1ona n ASN 104 Cb 0.51 -0.58 -0.03 0.00 -1.54 0.00 0.00 39.78 38.15 1ona n ASN 104 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1ona s THR 105 N -3.88 4.82 -0.20 3.41 2.01 -1.15 -2.27 115.64 118.38 1ona s THR 105 Ca 0.46 2.00 -0.06 0.00 0.31 0.00 0.00 61.69 64.40 1ona s THR 105 Cb 0.30 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 1ona s THR 105 CO -0.12 0.05 0.03 -0.63 -0.69 0.00 0.00 174.62 173.26 1ona s ILE 106 N 1.75 4.29 -0.13 1.82 -1.09 0.80 -0.20 121.20 128.44 1ona s ILE 106 Ca 0.48 -0.20 0.21 0.00 -2.23 0.00 0.00 60.65 58.91 1ona s ILE 106 Cb -0.19 -2.95 -0.18 0.00 -1.58 0.00 0.00 42.46 37.56 1ona s ILE 106 CO 0.20 0.42 0.69 0.18 -1.23 0.00 0.00 174.94 175.19 1ona n LEU 107 N 4.16 0.44 -3.58 2.97 4.32 -0.33 -1.51 117.00 123.47 1ona n LEU 107 Ca -0.17 0.18 -0.07 0.00 -0.02 0.00 0.00 56.01 55.93 1ona n LEU 107 Cb 0.52 0.05 -0.02 0.00 -1.62 0.00 0.00 43.42 42.35 1ona n LEU 107 CO 0.33 0.02 0.70 -0.94 -1.22 0.00 0.00 177.39 176.27 1ona s SER 108 N -5.13 -0.31 -0.28 -1.43 1.04 -1.24 -4.28 113.70 102.07 1ona s SER 108 Ca -0.05 -0.13 -0.20 0.00 0.48 0.00 0.00 55.95 56.06 1ona s SER 108 Cb 0.11 0.42 0.11 0.00 0.10 0.00 0.00 66.02 66.76 1ona s SER 108 CO 0.84 -0.71 0.88 0.86 0.98 0.00 0.00 173.24 176.10 1ona s TRP 109 N -3.18 -0.70 0.13 5.02 -0.00 -0.27 -2.15 118.94 117.80 1ona s TRP 109 Ca 0.07 1.51 0.02 0.00 -0.00 0.00 0.00 56.10 57.70 1ona s TRP 109 Cb -0.01 0.41 -0.04 0.00 -0.00 0.00 0.00 33.47 33.83 1ona s TRP 109 CO -0.06 -0.34 -0.05 -1.54 -0.00 0.00 0.00 176.95 174.96 1ona s SER 110 N 0.98 1.23 -0.14 5.86 1.04 0.92 -0.18 113.70 123.41 1ona s SER 110 Ca -0.05 -1.06 -0.23 0.00 0.48 0.00 0.00 55.95 55.10 1ona s SER 110 Cb -0.05 0.09 0.06 0.00 0.10 0.00 0.00 66.02 66.22 1ona s SER 110 CO -0.12 -0.48 0.57 0.12 0.98 0.00 0.00 173.24 174.31 1ona s PHE 111 N -3.60 -0.57 -0.02 5.02 5.36 -0.75 -1.27 117.98 122.14 1ona s PHE 111 Ca 0.16 1.24 -0.01 0.00 -0.96 0.00 0.00 56.93 57.36 1ona s PHE 111 Cb 0.05 0.25 0.01 0.00 -0.34 0.00 0.00 43.02 43.00 1ona s PHE 111 CO -0.01 -0.41 0.05 0.99 -1.46 0.00 0.00 175.22 174.38 1ona s THR 112 N -0.38 -0.01 -0.00 0.12 2.01 -0.67 -1.63 115.64 115.07 1ona s THR 112 Ca -0.05 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1ona s THR 112 Cb -0.03 -0.09 0.00 0.00 0.01 0.00 0.00 72.50 72.40 1ona s THR 112 CO 0.04 0.02 -0.00 -0.55 -0.69 0.00 0.00 174.62 173.44 1ona s SER 113 N 0.27 0.12 -0.02 3.53 0.15 0.23 -1.51 113.70 116.47 1ona s SER 113 Ca -0.02 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1ona s SER 113 Cb -0.03 -0.03 0.03 0.00 -1.71 0.00 0.00 66.02 64.28 1ona s SER 113 CO -0.01 -0.01 0.01 -0.54 1.20 0.00 0.00 173.24 173.89 1ona s LYS 114 N 0.15 0.15 -0.32 5.44 1.02 0.44 -0.96 119.74 125.67 1ona s LYS 114 Ca -0.01 0.11 0.02 0.00 0.02 0.00 0.00 55.97 56.11 1ona s LYS 114 Cb -0.02 -0.36 0.08 0.00 -0.52 0.00 0.00 37.83 37.01 1ona s LYS 114 CO -0.00 -0.14 0.01 -1.17 -0.92 0.00 0.00 175.35 173.13 1ona s LEU 115 N 0.96 4.26 -0.30 3.17 2.96 -0.12 -1.22 118.68 128.38 1ona s LEU 115 Ca -0.09 -1.77 -0.10 0.00 -0.22 0.00 0.00 54.13 51.95 1ona s LEU 115 Cb -0.12 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 1ona s LEU 115 CO -0.02 -0.32 0.17 -0.54 -1.32 0.00 0.00 176.35 174.32 1ona s LYS 116 N 1.04 3.58 -0.44 1.98 1.02 0.09 -1.47 119.74 125.54 1ona s LYS 116 Ca 0.02 -0.56 0.08 0.00 0.02 0.00 0.00 55.97 55.53 1ona s LYS 116 Cb -0.20 -3.60 0.41 0.00 -0.52 0.00 0.00 37.83 33.92 1ona s LYS 116 CO -0.06 -0.32 1.01 2.41 -0.92 0.00 0.00 175.35 177.47 1ona n THR 123 N 5.02 2.02 -2.73 2.17 -1.04 -1.26 -4.15 114.28 114.31 1ona n THR 123 Ca -0.14 -4.67 -0.38 0.00 -2.04 0.00 0.00 64.05 56.82 1ona n THR 123 Cb 0.50 -0.82 -0.06 0.00 -1.82 0.00 0.00 70.33 68.14 1ona n THR 123 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1ona s ASN 124 N -3.35 7.39 0.05 8.00 -0.87 -0.54 -5.08 114.94 120.53 1ona s ASN 124 Ca 0.43 1.92 -0.09 0.00 -1.57 0.00 0.00 52.86 53.56 1ona s ASN 124 Cb 0.38 -2.59 0.00 0.00 -0.02 0.00 0.00 41.25 39.02 1ona s ASN 124 CO -0.12 -0.03 0.18 0.00 -2.57 0.00 0.00 177.10 174.55 1ona s ALA 125 N -1.45 -0.29 -0.01 0.60 0.00 -1.26 -0.95 121.76 118.40 1ona s ALA 125 Ca 0.47 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.07 1ona s ALA 125 Cb -0.22 0.30 0.01 0.00 0.00 0.00 0.00 23.12 23.21 1ona s ALA 125 CO 0.28 -0.37 -0.01 -1.17 0.00 0.00 0.00 175.76 174.49 1ona s LEU 126 N -2.19 1.64 -0.12 0.00 2.96 -0.13 -4.99 118.68 115.84 1ona s LEU 126 Ca -0.04 -0.03 -0.09 0.00 -0.22 0.00 0.00 54.13 53.75 1ona s LEU 126 Cb -0.00 -0.14 0.04 0.00 0.50 0.00 0.00 46.19 46.58 1ona s LEU 126 CO -0.05 -0.03 0.31 -2.28 -1.32 0.00 0.00 176.35 172.98 1ona s HIS 127 N 0.41 -0.38 0.02 5.38 5.65 -1.26 -0.60 115.29 124.52 1ona s HIS 127 Ca -0.04 0.89 -0.04 0.00 0.25 0.00 0.00 55.06 56.12 1ona s HIS 127 Cb -0.06 0.12 -0.01 0.00 -1.18 0.00 0.00 32.58 31.45 1ona s HIS 127 CO -0.01 -0.20 0.06 -0.59 -0.65 0.00 0.00 174.74 173.35 1ona s PHE 128 N 0.56 0.18 -0.04 3.88 -0.12 -0.65 -5.01 117.98 116.79 1ona s PHE 128 Ca -0.03 -0.41 -0.02 0.00 -0.05 0.00 0.00 56.93 56.42 1ona s PHE 128 Cb -0.05 -0.14 0.03 0.00 -0.63 0.00 0.00 43.02 42.23 1ona s PHE 128 CO -0.03 -0.27 0.09 1.41 -0.05 0.00 0.00 175.22 176.36 1ona s MET 129 N -1.81 0.05 -0.39 1.99 1.75 -1.26 -1.81 119.30 117.81 1ona s MET 129 Ca -0.12 0.23 0.03 0.00 -1.25 0.00 0.00 55.69 54.58 1ona s MET 129 Cb -0.06 -0.14 0.11 0.00 2.84 0.00 0.00 34.83 37.58 1ona s MET 129 CO -0.01 -0.12 0.13 -0.06 -0.65 0.00 0.00 175.02 174.30 1ona s PHE 130 N 0.80 3.05 -2.30 4.11 0.08 0.74 -4.89 117.98 119.58 1ona s PHE 130 Ca -0.06 -2.75 0.26 0.00 0.12 0.00 0.00 56.93 54.50 1ona s PHE 130 Cb -0.09 -2.56 1.13 0.00 -0.57 0.00 0.00 43.02 40.93 1ona s PHE 130 CO -0.03 -0.87 1.78 0.09 -0.10 0.00 0.00 175.22 176.08 1ona n ASN 131 N 4.02 1.11 -3.57 1.36 3.02 -1.26 -1.11 115.26 118.84 1ona n ASN 131 Ca 0.04 -1.46 -0.07 0.00 -0.03 0.00 0.00 54.58 53.06 1ona n ASN 131 Cb 0.39 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.50 1ona n ASN 131 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ona s GLN 132 N -1.94 0.53 -0.05 3.52 -2.07 -1.26 -4.82 119.66 113.57 1ona s GLN 132 Ca 0.37 -0.08 0.05 0.00 -1.82 0.00 0.00 55.36 53.88 1ona s GLN 132 Cb 0.19 0.25 -0.01 0.00 -1.09 0.00 0.00 33.01 32.35 1ona s GLN 132 CO 0.31 -0.21 -0.22 -0.06 -1.32 0.00 0.00 175.29 173.79 1ona s PHE 133 N -2.12 2.10 0.48 9.60 0.08 0.11 -5.03 117.98 123.21 1ona s PHE 133 Ca 0.05 -0.60 0.03 0.00 0.12 0.00 0.00 56.93 56.53 1ona s PHE 133 Cb -0.01 -1.39 0.02 0.00 -0.57 0.00 0.00 43.02 41.07 1ona s PHE 133 CO -0.04 -0.18 0.67 -1.54 -0.10 0.00 0.00 175.22 174.03 1ona s SER 134 N -0.12 5.55 0.23 1.36 1.04 -1.26 -3.82 113.70 116.68 1ona s SER 134 Ca -0.03 -0.07 -0.07 0.00 0.48 0.00 0.00 55.95 56.26 1ona s SER 134 Cb -0.12 -0.99 0.32 0.00 0.10 0.00 0.00 66.02 65.33 1ona s SER 134 CO 0.03 -0.89 1.80 0.07 0.98 0.00 0.00 173.24 175.23 1ona h LYS 135 N 0.36 0.69 -3.00 4.02 -0.00 -1.87 -2.55 116.57 114.21 1ona h LYS 135 Ca -0.43 -0.04 -0.61 0.00 -0.00 0.00 0.00 60.65 59.57 1ona h LYS 135 Cb 1.28 -0.15 -0.40 0.00 -0.00 0.00 0.00 32.23 32.95 1ona h LYS 135 CO 0.51 0.45 -0.72 0.34 -0.00 0.00 0.00 179.45 180.04 1ona s ASP 136 N -5.58 3.73 -1.04 7.07 2.15 -1.26 -4.55 116.67 117.19 1ona s ASP 136 Ca -0.13 -2.95 -0.22 0.00 0.43 0.00 0.00 52.55 49.69 1ona s ASP 136 Cb 0.18 -1.17 0.07 0.00 -0.30 0.00 0.00 42.92 41.69 1ona s ASP 136 CO 0.77 -0.22 1.44 -1.58 -0.17 0.00 0.00 175.17 175.41 1ona s GLN 137 N -0.10 3.64 0.55 4.34 2.00 -1.23 -4.86 119.66 124.00 1ona s GLN 137 Ca 0.20 -1.33 0.37 0.00 -2.00 0.00 0.00 55.36 52.61 1ona s GLN 137 Cb -0.18 -5.31 1.94 0.00 0.80 0.00 0.00 33.01 30.26 1ona s GLN 137 CO -0.05 -2.15 2.12 0.87 -0.50 0.00 0.00 175.29 175.58 1ona h LYS 138 N 9.39 0.00 -0.46 1.67 1.57 -1.95 -1.86 116.57 124.92 1ona h LYS 138 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1ona h LYS 138 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1ona h LYS 138 CO 1.39 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.87 1ona n ASP 139 N -2.82 2.67 -4.31 0.86 5.68 -1.26 -4.84 116.55 112.53 1ona n ASP 139 Ca -0.02 -1.97 -0.32 0.00 -0.50 0.00 0.00 54.79 51.98 1ona n ASP 139 Cb 0.09 -0.31 -0.16 0.00 -1.14 0.00 0.00 41.12 39.60 1ona n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1ona s LEU 140 N -1.10 2.36 -0.45 -2.12 1.43 -0.70 -0.77 118.68 117.32 1ona s LEU 140 Ca 0.34 -0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 52.86 1ona s LEU 140 Cb 0.18 -1.48 0.05 0.00 0.03 0.00 0.00 46.19 44.98 1ona s LEU 140 CO 0.24 0.21 0.36 -0.63 0.23 0.00 0.00 176.35 176.76 1ona s ILE 141 N 0.06 5.23 0.01 -0.59 1.01 0.40 -4.87 121.20 122.45 1ona s ILE 141 Ca -0.08 -0.93 -0.19 0.00 0.00 0.00 0.00 60.65 59.45 1ona s ILE 141 Cb -0.15 -4.05 -0.06 0.00 0.01 0.00 0.00 42.46 38.21 1ona s ILE 141 CO 0.05 -0.48 0.54 -0.76 0.00 0.00 0.00 174.94 174.29 1ona s LEU 142 N 1.65 4.45 0.04 2.97 1.43 -1.26 -0.88 118.68 127.09 1ona s LEU 142 Ca 0.04 1.13 0.04 0.00 -1.03 0.00 0.00 54.13 54.32 1ona s LEU 142 Cb -0.22 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.14 1ona s LEU 142 CO 0.08 0.19 -0.12 -1.10 0.23 0.00 0.00 176.35 175.63 1ona s GLN 143 N -0.58 0.79 5.08 1.70 -0.21 0.30 -4.99 119.66 121.75 1ona s GLN 143 Ca 0.29 -0.75 0.00 0.00 0.02 0.00 0.00 55.36 54.91 1ona s GLN 143 Cb -0.18 -0.75 0.00 0.00 1.00 0.00 0.00 33.01 33.08 1ona s GLN 143 CO 0.17 0.18 0.00 0.41 -2.12 0.00 0.00 175.29 173.92 1ona n GLY 144 N 1.77 1.15 0.34 3.09 0.00 -1.26 -0.16 105.19 110.11 1ona n GLY 144 Ca -0.19 -0.71 0.11 0.00 0.00 0.00 0.00 46.02 45.23 1ona n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ona n ASP 145 N 3.96 1.04 -4.74 1.61 8.00 0.16 -4.90 116.55 121.67 1ona n ASP 145 Ca 0.00 -1.53 -0.42 0.00 0.71 0.00 0.00 54.79 53.55 1ona n ASP 145 Cb 0.00 -0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.03 1ona n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ona s ALA 146 N -1.90 3.77 0.02 2.24 0.00 -1.04 -4.34 121.76 120.50 1ona s ALA 146 Ca 0.34 1.50 0.01 0.00 0.00 0.00 0.00 51.96 53.81 1ona s ALA 146 Cb 0.17 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 1ona s ALA 146 CO 0.27 -0.90 -0.04 0.95 0.00 0.00 0.00 175.76 176.04 1ona s THR 147 N 0.36 0.24 0.44 0.00 -4.23 -0.13 -4.72 115.64 107.60 1ona s THR 147 Ca 0.66 -0.89 0.06 0.00 -1.18 0.00 0.00 61.69 60.34 1ona s THR 147 Cb -0.47 -0.35 -0.04 0.00 1.34 0.00 0.00 72.50 72.98 1ona s THR 147 CO 0.42 -0.42 0.15 0.42 -0.54 0.00 0.00 174.62 174.66 1ona s THR 148 N -1.31 2.02 0.00 3.99 -4.23 -1.26 -0.91 115.64 113.94 1ona s THR 148 Ca -0.13 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 1ona s THR 148 Cb -0.09 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 70.96 1ona s THR 148 CO -0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1ona n GLY 149 N -1.26 2.90 3.21 3.99 0.00 -0.96 -4.60 105.19 108.47 1ona n GLY 149 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1ona n GLY 149 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ona n THR 150 N -2.00 1.74 -0.82 2.61 -2.24 -1.20 -2.76 114.28 109.62 1ona n THR 150 Ca 0.00 -1.58 0.00 0.00 -2.27 0.00 0.00 64.05 60.20 1ona n THR 150 Cb 0.00 -2.27 0.00 0.00 -2.10 0.00 0.00 70.33 65.96 1ona n THR 150 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ona n ASP 151 N 8.88 -2.17 0.00 3.42 8.00 -1.26 -3.01 116.55 130.41 1ona n ASP 151 Ca 0.49 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.99 1ona n ASP 151 Cb 0.42 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 1ona n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ona n GLY 152 N -2.63 0.80 3.91 0.44 0.00 -1.11 -4.99 105.19 101.61 1ona n GLY 152 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1ona n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ona s ASN 153 N -2.62 5.32 -0.23 1.61 0.01 -1.16 0.09 114.94 117.95 1ona s ASN 153 Ca 0.00 -0.57 -0.04 0.00 -0.71 0.00 0.00 52.86 51.54 1ona s ASN 153 Cb 0.00 -0.72 -0.00 0.00 0.41 0.00 0.00 41.25 40.94 1ona s ASN 153 CO 0.00 -0.61 -0.03 -0.22 -1.51 0.00 0.00 177.10 174.73 1ona s LEU 154 N -4.16 3.06 -0.37 0.60 2.96 -0.57 -2.89 118.68 117.31 1ona s LEU 154 Ca 0.48 -0.50 -0.11 0.00 -0.22 0.00 0.00 54.13 53.78 1ona s LEU 154 Cb -0.06 -1.74 0.02 0.00 0.50 0.00 0.00 46.19 44.91 1ona s LEU 154 CO 0.29 -0.06 0.20 -1.61 -1.32 0.00 0.00 176.35 173.86 1ona s GLU 155 N 1.46 2.89 0.22 1.98 0.41 -0.09 -0.14 118.70 125.43 1ona s GLU 155 Ca 0.05 -1.03 -0.03 0.00 -0.41 0.00 0.00 54.97 53.54 1ona s GLU 155 Cb -0.15 -3.72 0.22 0.00 -1.78 0.00 0.00 34.13 28.70 1ona s GLU 155 CO -0.03 -0.67 1.64 -0.07 -0.49 0.00 0.00 175.26 175.65 1ona h LEU 156 N 8.43 0.74 -9.23 1.80 3.38 -1.73 -0.31 115.31 118.39 1ona h LEU 156 Ca -0.26 -0.26 -0.56 0.00 0.09 0.00 0.00 57.88 56.88 1ona h LEU 156 Cb 1.11 -0.20 -0.14 0.00 0.09 0.00 0.00 40.66 41.52 1ona h LEU 156 CO 0.66 0.95 -0.71 0.42 0.09 0.00 0.00 178.44 179.85 1ona s THR 157 N -4.60 2.09 0.12 0.22 -4.23 -1.26 -2.50 115.64 105.48 1ona s THR 157 Ca -0.09 -2.24 -0.36 0.00 -1.18 0.00 0.00 61.69 57.82 1ona s THR 157 Cb 0.13 -2.43 -0.16 0.00 1.34 0.00 0.00 72.50 71.39 1ona s THR 157 CO 0.83 -0.33 1.42 0.54 -0.54 0.00 0.00 174.62 176.54 1ona n ARG 158 N -0.64 1.52 -4.01 3.99 5.12 -1.26 -4.80 116.66 116.58 1ona n ARG 158 Ca -0.05 0.55 -0.19 0.00 -1.93 0.00 0.00 57.85 56.22 1ona n ARG 158 Cb 0.62 -2.23 -0.16 0.00 -1.16 0.00 0.00 32.46 29.52 1ona n ARG 158 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1ona s VAL 159 N 0.62 0.35 0.69 1.55 1.01 -1.26 -1.59 120.40 121.77 1ona s VAL 159 Ca 0.82 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 62.72 1ona s VAL 159 Cb -0.85 -0.43 0.04 0.00 0.00 0.00 0.00 36.38 35.13 1ona s VAL 159 CO 0.44 0.20 1.03 -0.94 0.00 0.00 0.00 175.10 175.82 1ona s SER 160 N 1.12 5.15 0.19 3.32 1.04 0.15 -4.90 113.70 119.77 1ona s SER 160 Ca -0.08 0.76 -0.24 0.00 0.48 0.00 0.00 55.95 56.87 1ona s SER 160 Cb -0.14 -1.52 0.08 0.00 0.10 0.00 0.00 66.02 64.54 1ona s SER 160 CO -0.01 -1.43 1.55 0.77 0.98 0.00 0.00 173.24 175.10 1ona h SER 161 N -0.57 -1.66 0.00 7.02 4.64 -2.02 0.28 113.55 121.25 1ona h SER 161 Ca -0.45 0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1ona h SER 161 Cb 1.28 0.79 0.00 0.00 -0.31 0.00 0.00 62.40 64.16 1ona h SER 161 CO 0.62 -0.29 0.05 -0.46 -0.87 0.00 0.00 176.83 175.88 1ona n ASN 162 N -5.39 0.00 0.00 4.97 0.23 -1.26 -4.73 115.26 109.08 1ona n ASN 162 Ca 0.05 0.27 0.00 0.00 -0.53 0.00 0.00 54.58 54.36 1ona n ASN 162 Cb 0.34 -0.27 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 1ona n ASN 162 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ona n GLY 163 N -1.24 0.82 3.83 4.83 0.00 0.99 -5.07 105.19 109.35 1ona n GLY 163 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1ona n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ona s SER 164 N -2.20 6.95 0.40 1.61 0.01 -1.24 -4.77 113.70 114.46 1ona s SER 164 Ca 0.00 1.27 -0.19 0.00 1.31 0.00 0.00 55.95 58.34 1ona s SER 164 Cb 0.00 -2.36 -0.10 0.00 0.21 0.00 0.00 66.02 63.76 1ona s SER 164 CO 0.00 0.04 0.90 -2.16 0.41 0.00 0.00 173.24 172.43 1ona s PRO 165 N -2.03 4.17 0.01 12.44 0.04 -1.26 0.31 135.00 148.68 1ona s PRO 165 Ca 0.42 1.01 0.01 0.00 0.04 0.00 0.00 61.00 62.47 1ona s PRO 165 Cb -0.16 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 1ona s PRO 165 CO 0.20 0.01 0.05 -0.65 0.04 0.00 0.00 177.00 176.65 1ona s GLN 166 N -3.14 2.93 0.93 4.56 -0.21 -0.62 -4.86 119.66 119.25 1ona s GLN 166 Ca 0.60 -0.56 -0.15 0.00 0.02 0.00 0.00 55.36 55.27 1ona s GLN 166 Cb -0.09 -2.77 0.16 0.00 1.00 0.00 0.00 33.01 31.32 1ona s GLN 166 CO 0.14 0.63 1.23 0.20 -2.12 0.00 0.00 175.29 175.37 1ona s GLY 167 N -1.75 1.67 -1.66 3.09 0.00 -1.26 -4.27 107.32 103.14 1ona s GLY 167 Ca 0.22 -0.91 -0.15 0.00 0.00 0.00 0.00 44.72 43.88 1ona s GLY 167 CO 0.13 -0.24 0.70 1.44 0.00 0.00 0.00 173.10 175.13 1ona n SER 168 N -3.74 -2.65 -4.65 1.64 7.64 0.62 -4.83 113.62 107.65 1ona n SER 168 Ca 0.12 -1.03 -0.28 0.00 1.01 0.00 0.00 58.87 58.69 1ona n SER 168 Cb 0.60 -2.73 -0.08 0.00 -1.01 0.00 0.00 64.21 60.99 1ona n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ona s SER 169 N -3.50 4.74 -0.15 6.43 0.15 -1.23 -4.93 113.70 115.22 1ona s SER 169 Ca 0.60 -0.37 -0.10 0.00 0.70 0.00 0.00 55.95 56.79 1ona s SER 169 Cb -0.33 -1.01 0.05 0.00 -1.71 0.00 0.00 66.02 63.02 1ona s SER 169 CO 0.93 0.12 0.37 -0.69 1.20 0.00 0.00 173.24 175.17 1ona s VAL 170 N -1.59 -0.02 -0.01 4.45 1.01 -1.26 -1.24 120.40 121.74 1ona s VAL 170 Ca 0.26 0.06 -0.24 0.00 0.00 0.00 0.00 61.98 62.07 1ona s VAL 170 Cb -0.10 -0.54 0.05 0.00 0.00 0.00 0.00 36.38 35.79 1ona s VAL 170 CO 0.18 0.03 0.53 -0.83 0.00 0.00 0.00 175.10 175.00 1ona s GLY 171 N 0.91 -0.42 0.10 4.51 0.00 -0.89 0.39 107.32 111.92 1ona s GLY 171 Ca -0.06 0.81 -0.02 0.00 0.00 0.00 0.00 44.72 45.45 1ona s GLY 171 CO -0.07 0.51 0.06 0.50 0.00 0.00 0.00 173.10 174.10 1ona s ARG 172 N -1.69 0.83 -0.08 2.90 0.52 0.77 -1.75 118.95 120.45 1ona s ARG 172 Ca -0.09 -1.29 -0.03 0.00 -0.52 0.00 0.00 55.73 53.79 1ona s ARG 172 Cb -0.01 0.25 0.05 0.00 0.52 0.00 0.00 34.95 35.75 1ona s ARG 172 CO 0.04 -0.22 0.16 0.00 0.02 0.00 0.00 175.30 175.30 1ona s ALA 173 N -3.98 -0.14 -0.01 2.13 0.00 -0.02 -0.54 121.76 119.20 1ona s ALA 173 Ca 0.15 0.54 0.04 0.00 0.00 0.00 0.00 51.96 52.70 1ona s ALA 173 Cb 0.07 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 1ona s ALA 173 CO -0.04 -0.56 -0.12 -0.51 0.00 0.00 0.00 175.76 174.53 1ona s LEU 174 N 2.27 2.88 0.28 0.00 1.02 -0.05 -0.62 118.68 124.45 1ona s LEU 174 Ca 0.03 -0.22 -0.29 0.00 0.02 0.00 0.00 54.13 53.67 1ona s LEU 174 Cb -0.12 -1.64 -0.10 0.00 0.02 0.00 0.00 46.19 44.35 1ona s LEU 174 CO -0.06 0.31 1.26 0.12 0.02 0.00 0.00 176.35 177.99 1ona s PHE 175 N -0.87 3.24 0.21 0.29 5.36 -0.18 -0.45 117.98 125.58 1ona s PHE 175 Ca 0.14 1.43 -0.09 0.00 -0.96 0.00 0.00 56.93 57.45 1ona s PHE 175 Cb -0.11 -3.56 0.28 0.00 -0.34 0.00 0.00 43.02 39.29 1ona s PHE 175 CO 0.04 -1.54 1.76 -0.92 -1.46 0.00 0.00 175.22 173.11 1ona h TYR 176 N 4.05 0.49 -3.73 10.12 5.03 -1.29 -3.43 116.97 128.22 1ona h TYR 176 Ca -0.47 0.03 -0.49 0.00 2.58 0.00 0.00 58.73 60.37 1ona h TYR 176 Cb 1.22 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 39.35 1ona h TYR 176 CO 0.58 0.17 0.21 0.00 -1.32 0.00 0.00 178.16 177.80 1ona s ALA 177 N -6.09 3.31 0.56 1.82 0.00 -1.26 -5.02 121.76 115.07 1ona s ALA 177 Ca -0.13 0.31 -0.18 0.00 0.00 0.00 0.00 51.96 51.96 1ona s ALA 177 Cb 0.17 -2.97 -0.05 0.00 0.00 0.00 0.00 23.12 20.26 1ona s ALA 177 CO 0.75 0.26 1.08 -2.14 0.00 0.00 0.00 175.76 175.71 1ona s PRO 178 N -2.14 3.38 -0.11 0.00 0.02 -1.26 -4.77 135.00 130.12 1ona s PRO 178 Ca 0.48 1.41 0.03 0.00 0.02 0.00 0.00 61.00 62.93 1ona s PRO 178 Cb -0.17 -2.03 -0.00 0.00 0.02 0.00 0.00 34.50 32.32 1ona s PRO 178 CO 0.21 -0.78 -0.21 0.08 -0.33 0.00 0.00 177.00 175.97 1ona s VAL 179 N -2.09 2.32 -1.02 3.83 1.01 0.17 -4.93 120.40 119.70 1ona s VAL 179 Ca 0.68 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 61.51 1ona s VAL 179 Cb -0.19 -1.92 0.06 0.00 0.00 0.00 0.00 36.38 34.33 1ona s VAL 179 CO 0.30 0.55 1.44 -2.28 0.00 0.00 0.00 175.10 175.10 1ona s HIS 180 N 0.39 2.57 0.29 5.22 2.46 -1.26 -1.07 115.29 123.90 1ona s HIS 180 Ca -0.16 -0.89 0.03 0.00 0.47 0.00 0.00 55.06 54.51 1ona s HIS 180 Cb -0.17 -4.68 0.44 0.00 -0.13 0.00 0.00 32.58 28.04 1ona s HIS 180 CO 0.07 -1.91 1.75 0.97 -2.47 0.00 0.00 174.74 173.15 1ona h ILE 181 N 6.72 1.25 -3.40 0.89 6.09 -0.50 -3.45 117.51 125.10 1ona h ILE 181 Ca 0.20 -1.19 -0.03 0.00 -1.37 0.00 0.00 64.86 62.48 1ona h ILE 181 Cb 1.01 1.29 -0.10 0.00 0.47 0.00 0.00 36.82 39.49 1ona h ILE 181 CO 1.41 0.38 -0.02 -1.66 -3.07 0.00 0.00 178.15 175.19 1ona s TRP 182 N -4.57 0.03 -0.30 2.19 1.48 -1.14 -4.72 118.94 111.91 1ona s TRP 182 Ca -0.07 -0.39 -0.15 0.00 -1.06 0.00 0.00 56.10 54.44 1ona s TRP 182 Cb 0.14 0.34 0.17 0.00 -1.16 0.00 0.00 33.47 32.95 1ona s TRP 182 CO 0.79 -0.95 1.00 -2.00 -4.06 0.00 0.00 176.95 171.73 1ona s GLU 183 N -3.92 0.28 0.42 3.25 2.12 -1.26 -4.66 118.70 114.93 1ona s GLU 183 Ca 0.13 0.68 0.23 0.00 0.36 0.00 0.00 54.97 56.37 1ona s GLU 183 Cb -0.01 0.41 1.23 0.00 0.26 0.00 0.00 34.13 36.02 1ona s GLU 183 CO 0.01 -0.12 1.72 0.77 -0.54 0.00 0.00 175.26 177.10 1ona h SER 184 N 7.53 0.36 0.00 -1.70 0.02 -2.02 -0.60 113.55 117.15 1ona h SER 184 Ca -0.15 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1ona h SER 184 Cb 1.12 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1ona h SER 184 CO 0.07 -0.01 0.00 -1.54 -1.14 0.00 0.00 176.83 174.21 1ona n SER 185 N -4.64 0.00 -4.86 3.07 3.41 -1.26 -4.77 113.62 104.57 1ona n SER 185 Ca 0.29 -1.12 -0.37 0.00 -0.26 0.00 0.00 58.87 57.42 1ona n SER 185 Cb 1.08 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.97 1ona n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ona s ALA 186 N -2.00 3.85 -0.05 7.33 0.00 -0.23 -5.00 121.76 125.66 1ona s ALA 186 Ca 0.02 -0.62 -0.19 0.00 0.00 0.00 0.00 51.96 51.17 1ona s ALA 186 Cb 0.01 -2.01 -0.31 0.00 0.00 0.00 0.00 23.12 20.81 1ona s ALA 186 CO 0.02 0.56 0.83 0.28 0.00 0.00 0.00 175.76 177.46 1ona h VAL 187 N 4.04 1.36 -3.21 0.00 2.07 -1.86 -3.45 116.25 115.20 1ona h VAL 187 Ca -0.53 -2.54 -0.45 0.00 0.82 0.00 0.00 66.70 64.00 1ona h VAL 187 Cb 1.22 3.07 -0.40 0.00 -1.52 0.00 0.00 31.29 33.66 1ona h VAL 187 CO 0.60 0.73 -0.75 -0.69 0.02 0.00 0.00 177.57 177.48 1ona s VAL 188 N -2.47 0.16 -0.11 2.57 1.01 -1.26 -4.80 120.40 115.50 1ona s VAL 188 Ca -0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1ona s VAL 188 Cb 0.02 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 1ona s VAL 188 CO 0.84 -0.03 -0.06 0.00 0.00 0.00 0.00 175.10 175.84 1ona s ALA 189 N 2.04 2.95 -0.03 5.51 0.00 -1.26 -0.73 121.76 130.24 1ona s ALA 189 Ca 0.03 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 50.84 1ona s ALA 189 Cb -0.14 -1.35 0.09 0.00 0.00 0.00 0.00 23.12 21.71 1ona s ALA 189 CO -0.06 0.40 0.79 -1.54 0.00 0.00 0.00 175.76 175.35 1ona s SER 190 N -0.23 -0.51 0.18 0.00 1.04 -0.36 0.46 113.70 114.28 1ona s SER 190 Ca 0.03 0.35 -0.10 0.00 0.48 0.00 0.00 55.95 56.71 1ona s SER 190 Cb -0.13 0.46 -0.00 0.00 0.10 0.00 0.00 66.02 66.44 1ona s SER 190 CO 0.03 -0.61 0.33 0.72 0.98 0.00 0.00 173.24 174.68 1ona s PHE 191 N -2.05 0.35 0.02 5.02 -0.12 -0.90 -0.42 117.98 119.88 1ona s PHE 191 Ca -0.03 -0.71 -0.23 0.00 -0.05 0.00 0.00 56.93 55.91 1ona s PHE 191 Cb -0.01 0.01 0.05 0.00 -0.63 0.00 0.00 43.02 42.45 1ona s PHE 191 CO -0.00 -0.77 0.53 -1.83 -0.05 0.00 0.00 175.22 173.10 1ona s GLU 192 N -3.97 1.01 0.05 1.99 -1.05 -0.57 -1.87 118.70 114.30 1ona s GLU 192 Ca 0.17 -0.13 -0.08 0.00 -0.15 0.00 0.00 54.97 54.78 1ona s GLU 192 Cb 0.02 0.46 -0.00 0.00 -0.44 0.00 0.00 34.13 34.18 1ona s GLU 192 CO 0.01 -0.35 0.17 0.00 0.95 0.00 0.00 175.26 176.03 1ona s ALA 193 N -2.11 -0.24 -0.16 -0.84 0.00 -0.69 -1.66 121.76 116.06 1ona s ALA 193 Ca -0.07 -0.44 -0.13 0.00 0.00 0.00 0.00 51.96 51.32 1ona s ALA 193 Cb -0.01 0.32 0.04 0.00 0.00 0.00 0.00 23.12 23.47 1ona s ALA 193 CO 0.01 -0.38 0.40 0.99 0.00 0.00 0.00 175.76 176.78 1ona s THR 194 N -2.90 -0.01 -0.01 0.00 2.01 -0.40 -1.38 115.64 112.96 1ona s THR 194 Ca -0.02 0.02 -0.15 0.00 0.31 0.00 0.00 61.69 61.85 1ona s THR 194 Cb 0.01 -0.58 0.02 0.00 0.01 0.00 0.00 72.50 71.96 1ona s THR 194 CO -0.06 0.01 0.31 0.72 -0.69 0.00 0.00 174.62 174.91 1ona s PHE 195 N 0.52 -0.17 0.05 4.92 -0.12 -1.04 -0.06 117.98 122.07 1ona s PHE 195 Ca -0.02 0.24 0.06 0.00 -0.05 0.00 0.00 56.93 57.16 1ona s PHE 195 Cb -0.04 0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.41 1ona s PHE 195 CO -0.03 -0.40 -0.10 0.95 -0.05 0.00 0.00 175.22 175.60 1ona s THR 196 N -1.40 3.39 0.17 -4.49 -4.23 -0.91 -1.69 115.64 106.48 1ona s THR 196 Ca -0.13 -1.05 -0.01 0.00 -1.18 0.00 0.00 61.69 59.31 1ona s THR 196 Cb -0.05 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 1ona s THR 196 CO 0.04 0.26 0.11 0.72 -0.54 0.00 0.00 174.62 175.21 1ona s PHE 197 N -1.08 1.00 -0.32 3.99 -0.71 -0.69 -1.18 117.98 119.00 1ona s PHE 197 Ca 0.19 -1.29 -0.02 0.00 -1.04 0.00 0.00 56.93 54.76 1ona s PHE 197 Cb -0.11 -0.50 0.11 0.00 -1.21 0.00 0.00 43.02 41.31 1ona s PHE 197 CO 0.10 -0.59 0.15 -1.17 -1.34 0.00 0.00 175.22 172.36 1ona s LEU 198 N -3.11 1.16 -0.40 -1.99 2.96 0.72 -1.11 118.68 116.91 1ona s LEU 198 Ca 0.32 -1.66 -0.17 0.00 -0.22 0.00 0.00 54.13 52.40 1ona s LEU 198 Cb 0.07 -0.52 0.01 0.00 0.50 0.00 0.00 46.19 46.25 1ona s LEU 198 CO 0.07 -0.39 0.43 -0.63 -1.32 0.00 0.00 176.35 174.51 1ona s ILE 199 N 1.64 5.10 -0.06 6.68 1.01 -1.26 -2.94 121.20 131.37 1ona s ILE 199 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.56 1ona s ILE 199 Cb -0.18 -3.99 0.02 0.00 0.01 0.00 0.00 42.46 38.32 1ona s ILE 199 CO -0.23 -0.34 -0.03 -0.75 0.00 0.00 0.00 174.94 173.59 1ona s LYS 200 N 2.13 0.80 -0.05 2.79 2.20 -1.22 -0.82 119.74 125.57 1ona s LYS 200 Ca 0.12 -0.04 0.02 0.00 -0.36 0.00 0.00 55.97 55.72 1ona s LYS 200 Cb -0.17 -0.94 0.01 0.00 -1.51 0.00 0.00 37.83 35.22 1ona s LYS 200 CO 0.13 -0.18 -0.09 0.45 -0.36 0.00 0.00 175.35 175.31 1ona s SER 201 N 1.36 1.34 0.31 1.43 0.15 -1.26 -0.50 113.70 116.53 1ona s SER 201 Ca -0.04 -0.21 0.11 0.00 0.70 0.00 0.00 55.95 56.51 1ona s SER 201 Cb -0.13 -0.55 0.49 0.00 -1.71 0.00 0.00 66.02 64.12 1ona s SER 201 CO -0.02 0.02 1.70 1.55 1.20 0.00 0.00 173.24 177.68 1ona h PRO 202 N 6.83 0.02 -7.28 5.44 0.13 -1.99 -3.46 132.00 131.70 1ona h PRO 202 Ca -0.34 -0.01 -0.49 0.00 -0.87 0.00 0.00 66.00 64.29 1ona h PRO 202 Cb 1.17 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.37 1ona h PRO 202 CO 0.48 0.53 0.30 0.16 -0.23 0.00 0.00 178.00 179.24 1ona s ASP 203 N -6.88 5.67 0.50 1.44 1.47 -1.26 -4.97 116.67 112.64 1ona s ASP 203 Ca -0.02 1.00 0.19 0.00 1.18 0.00 0.00 52.55 54.90 1ona s ASP 203 Cb 0.13 -1.95 1.27 0.00 -0.34 0.00 0.00 42.92 42.04 1ona s ASP 203 CO 0.75 -1.11 2.10 0.77 0.68 0.00 0.00 175.17 178.36 1ona h SER 204 N -0.36 0.00 -3.57 2.11 4.64 -1.97 -3.37 113.55 111.03 1ona h SER 204 Ca -0.45 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.25 1ona h SER 204 Cb 1.24 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.93 1ona h SER 204 CO 0.62 0.09 -0.72 -2.28 -0.87 0.00 0.00 176.83 173.66 1ona s HIS 205 N -4.73 2.42 0.63 4.77 5.65 -1.26 -5.12 115.29 117.65 1ona s HIS 205 Ca -0.04 -2.45 -0.16 0.00 0.25 0.00 0.00 55.06 52.66 1ona s HIS 205 Cb 0.16 -2.17 -0.01 0.00 -1.18 0.00 0.00 32.58 29.37 1ona s HIS 205 CO 0.65 -0.84 1.12 -1.25 -0.65 0.00 0.00 174.74 173.78 1ona s PRO 206 N 0.72 2.90 0.14 2.88 0.04 -1.26 -4.39 135.00 136.02 1ona s PRO 206 Ca 0.14 1.48 -0.21 0.00 0.04 0.00 0.00 61.00 62.45 1ona s PRO 206 Cb -0.22 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.42 1ona s PRO 206 CO -0.08 -1.19 0.53 0.00 0.04 0.00 0.00 177.00 176.29 1ona s ALA 207 N -2.16 -1.36 -0.05 8.56 0.00 -1.21 -4.06 121.76 121.48 1ona s ALA 207 Ca 0.69 0.33 0.10 0.00 0.00 0.00 0.00 51.96 53.07 1ona s ALA 207 Cb -0.22 0.78 -0.15 0.00 0.00 0.00 0.00 23.12 23.53 1ona s ALA 207 CO 0.38 -0.70 0.14 -0.25 0.00 0.00 0.00 175.76 175.33 1ona n ASP 208 N -0.26 2.56 0.00 0.00 9.92 0.29 -2.60 116.55 126.47 1ona n ASP 208 Ca -0.17 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.09 1ona n ASP 208 Cb 0.64 1.13 0.00 0.00 -0.64 0.00 0.00 41.12 42.26 1ona n ASP 208 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ona n GLY 209 N 2.13 0.27 3.19 0.44 0.00 -1.22 -2.35 105.19 107.65 1ona n GLY 209 Ca -0.09 -1.68 -0.17 0.00 0.00 0.00 0.00 46.02 44.08 1ona n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ona s ILE 210 N -1.45 1.13 -0.07 -0.61 1.01 -0.79 -2.93 121.20 117.50 1ona s ILE 210 Ca 0.00 -1.48 -0.15 0.00 0.00 0.00 0.00 60.65 59.03 1ona s ILE 210 Cb 0.00 -1.24 0.03 0.00 0.01 0.00 0.00 42.46 41.26 1ona s ILE 210 CO 0.00 -0.34 0.35 0.00 0.00 0.00 0.00 174.94 174.95 1ona s ALA 211 N -1.73 -0.88 -0.15 9.38 0.00 -0.23 -0.59 121.76 127.57 1ona s ALA 211 Ca 0.02 0.65 -0.08 0.00 0.00 0.00 0.00 51.96 52.56 1ona s ALA 211 Cb -0.07 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 1ona s ALA 211 CO 0.02 -0.23 0.13 0.12 0.00 0.00 0.00 175.76 175.80 1ona s PHE 212 N -0.71 3.52 0.08 0.00 5.36 -0.73 -0.88 117.98 124.61 1ona s PHE 212 Ca -0.08 0.44 -0.03 0.00 -0.96 0.00 0.00 56.93 56.31 1ona s PHE 212 Cb -0.04 -2.02 -0.03 0.00 -0.34 0.00 0.00 43.02 40.59 1ona s PHE 212 CO 0.03 0.56 0.04 -0.59 -1.46 0.00 0.00 175.22 173.80 1ona s PHE 213 N -0.50 0.52 -0.08 10.12 -0.71 -0.19 -0.82 117.98 126.31 1ona s PHE 213 Ca 0.12 -1.01 0.01 0.00 -1.04 0.00 0.00 56.93 55.02 1ona s PHE 213 Cb -0.12 -0.34 0.02 0.00 -1.21 0.00 0.00 43.02 41.37 1ona s PHE 213 CO 0.02 -0.45 -0.11 0.42 -1.34 0.00 0.00 175.22 173.76 1ona s ILE 214 N -3.94 1.10 0.36 -4.49 1.01 0.10 -1.57 121.20 113.78 1ona s ILE 214 Ca 0.10 -0.42 0.06 0.00 0.00 0.00 0.00 60.65 60.40 1ona s ILE 214 Cb 0.07 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.47 1ona s ILE 214 CO -0.08 0.36 0.23 -0.94 0.00 0.00 0.00 174.94 174.52 1ona s SER 215 N 1.04 2.02 0.67 3.58 1.04 -0.49 -1.94 113.70 119.62 1ona s SER 215 Ca -0.07 -1.74 -0.17 0.00 0.48 0.00 0.00 55.95 54.45 1ona s SER 215 Cb -0.15 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1ona s SER 215 CO -0.01 -1.03 1.23 0.54 0.98 0.00 0.00 173.24 174.95 1ona s ASN 216 N -3.45 4.61 0.46 7.02 4.22 -1.20 -1.49 114.94 125.12 1ona s ASN 216 Ca 0.35 2.42 0.18 0.00 -2.14 0.00 0.00 52.86 53.67 1ona s ASN 216 Cb 0.02 -2.60 1.15 0.00 1.28 0.00 0.00 41.25 41.10 1ona s ASN 216 CO 0.23 -1.99 1.98 0.40 -2.04 0.00 0.00 177.10 175.68 1ona h ILE 217 N 0.27 0.83 -0.92 0.54 2.04 -1.84 -2.27 117.51 116.16 1ona h ILE 217 Ca -0.49 -0.10 -0.54 0.00 1.00 0.00 0.00 64.86 64.73 1ona h ILE 217 Cb 1.31 0.52 -0.28 0.00 -0.74 0.00 0.00 36.82 37.63 1ona h ILE 217 CO 0.52 0.05 0.69 -0.90 0.00 0.00 0.00 178.15 178.51 1ona n ASP 218 N -4.45 5.24 -4.79 1.72 5.75 -1.26 -4.79 116.55 113.97 1ona n ASP 218 Ca 0.10 -3.56 -0.36 0.00 -0.01 0.00 0.00 54.79 50.97 1ona n ASP 218 Cb 0.47 -0.89 -0.04 0.00 -1.03 0.00 0.00 41.12 39.63 1ona n ASP 218 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1ona s SER 219 N -1.28 6.80 0.06 -1.12 0.15 -0.85 -5.05 113.70 112.41 1ona s SER 219 Ca 0.55 1.98 -0.09 0.00 0.70 0.00 0.00 55.95 59.08 1ona s SER 219 Cb 0.45 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 1ona s SER 219 CO 0.06 -0.46 0.20 -0.94 1.20 0.00 0.00 173.24 173.30 1ona s SER 220 N -1.66 0.06 -0.01 5.45 1.04 -1.26 -5.07 113.70 112.24 1ona s SER 220 Ca 0.58 -0.49 -0.31 0.00 0.48 0.00 0.00 55.95 56.21 1ona s SER 220 Cb -0.20 0.32 -0.10 0.00 0.10 0.00 0.00 66.02 66.14 1ona s SER 220 CO 0.25 -0.64 1.96 -0.38 0.98 0.00 0.00 173.24 175.40 1ona n ILE 221 N 0.33 0.70 -1.90 -1.02 5.41 -1.26 -4.92 119.36 116.70 1ona n ILE 221 Ca -0.17 -0.14 -0.38 0.00 1.00 0.00 0.00 62.75 63.06 1ona n ILE 221 Cb 0.61 -2.18 0.02 0.00 -0.71 0.00 0.00 39.64 37.38 1ona n ILE 221 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1ona s PRO 222 N 4.41 3.40 0.36 0.38 0.02 -1.26 -4.92 135.00 137.39 1ona s PRO 222 Ca 0.91 2.17 -0.28 0.00 0.02 0.00 0.00 61.00 63.81 1ona s PRO 222 Cb -0.52 -2.38 -0.11 0.00 0.02 0.00 0.00 34.50 31.51 1ona s PRO 222 CO 0.45 -0.96 1.41 -1.12 -0.33 0.00 0.00 177.00 176.45 1ona s SER 223 N -0.95 6.51 0.00 2.53 0.01 -1.26 -2.45 113.70 118.09 1ona s SER 223 Ca 0.67 2.90 0.00 0.00 1.31 0.00 0.00 55.95 60.83 1ona s SER 223 Cb -0.38 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.19 1ona s SER 223 CO 0.47 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 173.99 1ona n GLY 224 N 0.60 0.51 1.58 3.44 0.00 -1.26 -4.89 105.19 105.17 1ona n GLY 224 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1ona n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ona n SER 225 N -0.11 3.86 -2.94 1.61 3.41 -1.03 -4.80 113.62 113.63 1ona n SER 225 Ca 0.00 -2.01 -0.14 0.00 -0.26 0.00 0.00 58.87 56.46 1ona n SER 225 Cb 0.06 -0.81 0.09 0.00 -0.26 0.00 0.00 64.21 63.29 1ona n SER 225 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ona n THR 226 N 1.55 0.00 -1.74 6.66 -2.24 -1.26 -0.97 114.28 116.28 1ona n THR 226 Ca 0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1ona n THR 226 Cb 0.37 -1.68 0.00 0.00 -2.10 0.00 0.00 70.33 66.92 1ona n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ona n GLY 227 N 0.94 3.05 0.04 3.38 0.00 0.90 -2.82 105.19 110.68 1ona n GLY 227 Ca 0.08 -0.19 0.04 0.00 0.00 0.00 0.00 46.02 45.94 1ona n GLY 227 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ona n ARG 228 N 14.00 0.04 0.00 1.61 1.85 -1.26 -2.05 116.66 130.84 1ona n ARG 228 Ca 0.00 0.48 0.14 0.00 -1.00 0.00 0.00 57.85 57.47 1ona n ARG 228 Cb 0.00 -1.60 0.54 0.00 -1.05 0.00 0.00 32.46 30.34 1ona n ARG 228 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1ona n LEU 229 N -1.68 1.29 -1.36 2.89 4.77 -1.13 -4.93 117.00 116.86 1ona n LEU 229 Ca 0.00 -0.41 -0.11 0.00 -0.03 0.00 0.00 56.01 55.46 1ona n LEU 229 Cb 0.05 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 1ona n LEU 229 CO 0.05 0.22 -0.11 0.18 -1.33 0.00 0.00 177.39 176.40 1ona n LEU 230 N -0.06 -0.81 -0.22 2.23 4.77 -0.87 -0.79 117.00 121.25 1ona n LEU 230 Ca 0.18 0.27 -0.03 0.00 -0.03 0.00 0.00 56.01 56.40 1ona n LEU 230 Cb 0.33 -1.75 -0.01 0.00 -2.33 0.00 0.00 43.42 39.66 1ona n LEU 230 CO 0.18 -0.56 -0.03 0.61 -1.33 0.00 0.00 177.39 176.26 1ona n GLY 231 N -0.22 0.57 0.26 -0.72 0.00 -0.14 -3.94 105.19 101.01 1ona n GLY 231 Ca -0.11 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 1ona n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ona n LEU 232 N -0.33 2.17 -4.52 0.99 4.77 0.03 -4.43 117.00 115.68 1ona n LEU 232 Ca -0.03 0.04 -0.29 0.00 -0.03 0.00 0.00 56.01 55.70 1ona n LEU 232 Cb 0.19 -0.51 -0.11 0.00 -2.33 0.00 0.00 43.42 40.67 1ona n LEU 232 CO 0.04 0.57 -0.46 -0.36 -1.33 0.00 0.00 177.39 175.85 1ona s PHE 233 N -2.30 2.61 -0.65 -1.77 0.08 -1.12 -4.78 117.98 110.05 1ona s PHE 233 Ca -0.21 -0.22 0.26 0.00 0.12 0.00 0.00 56.93 56.87 1ona s PHE 233 Cb 0.07 -1.37 0.78 0.00 -0.57 0.00 0.00 43.02 41.93 1ona s PHE 233 CO 0.32 0.41 1.75 -1.00 -0.10 0.00 0.00 175.22 176.60 1ona h PRO 234 N 3.63 0.00 -3.14 0.24 0.13 -1.91 -3.43 132.00 127.52 1ona h PRO 234 Ca -0.49 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 1ona h PRO 234 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1ona h PRO 234 CO 0.49 0.00 0.21 0.16 -0.23 0.00 0.00 178.00 178.63 1ona s ASP 235 N -4.74 0.11 -0.32 1.44 1.47 -1.26 -4.93 116.67 108.43 1ona s ASP 235 Ca 0.09 -1.17 0.05 0.00 1.18 0.00 0.00 52.55 52.71 1ona s ASP 235 Cb 0.11 0.82 0.57 0.00 -0.34 0.00 0.00 42.92 44.08 1ona s ASP 235 CO 0.58 -1.63 1.69 0.00 0.68 0.00 0.00 175.17 176.49 1ona n ALA 236 N -0.53 4.68 1.91 2.11 0.00 -1.26 -4.73 120.51 122.70 1ona n ALA 236 Ca -0.07 -2.15 0.16 0.00 0.00 0.00 0.00 53.44 51.37 1ona n ALA 236 Cb 0.60 -1.30 0.88 0.00 0.00 0.00 0.00 19.45 19.62 1ona n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59