#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 5.92 -0.24 0.00 1.01 -1.26 -5.05 116.67 117.06 1ona s ASP 2 Ca 0.00 1.27 -0.06 0.00 0.71 0.00 0.00 52.55 54.47 1ona s ASP 2 Cb 0.00 -2.23 -0.02 0.00 1.01 0.00 0.00 42.92 41.67 1ona s ASP 2 CO 0.00 -1.04 0.03 -0.89 0.21 0.00 0.00 175.17 173.48 1ona s THR 3 N -3.22 4.00 -0.08 -1.27 2.01 -1.26 -5.02 115.64 110.81 1ona s THR 3 Ca 0.56 -0.28 0.04 0.00 0.31 0.00 0.00 61.69 62.32 1ona s THR 3 Cb -0.11 -2.85 0.00 0.00 0.01 0.00 0.00 72.50 69.55 1ona s THR 3 CO 0.52 0.37 -0.20 -0.63 -0.69 0.00 0.00 174.62 174.00 1ona s ILE 4 N 1.51 1.70 -0.13 1.82 -1.09 -1.26 -3.31 121.20 120.44 1ona s ILE 4 Ca 0.06 -0.82 0.00 0.00 -2.23 0.00 0.00 60.65 57.66 1ona s ILE 4 Cb -0.15 -1.48 0.02 0.00 -1.58 0.00 0.00 42.46 39.27 1ona s ILE 4 CO 0.01 0.48 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.39 1ona s VAL 5 N 0.35 1.35 0.10 2.92 1.01 -0.78 0.39 120.40 125.74 1ona s VAL 5 Ca -0.14 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 1ona s VAL 5 Cb -0.16 -1.29 -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 1.47 0.07 -0.25 5.51 0.00 -0.60 0.21 121.76 128.18 1ona s ALA 6 Ca 0.03 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1ona s ALA 6 Cb -0.13 0.56 0.04 0.00 0.00 0.00 0.00 23.12 23.59 1ona s ALA 6 CO -0.08 -0.51 -0.10 0.08 0.00 0.00 0.00 175.76 175.15 1ona s VAL 7 N -3.91 2.42 0.02 0.00 1.01 0.03 -0.82 120.40 119.15 1ona s VAL 7 Ca 0.10 -1.36 -0.00 0.00 0.00 0.00 0.00 61.98 60.71 1ona s VAL 7 Cb 0.05 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1ona s VAL 7 CO -0.07 0.10 0.13 -1.83 0.00 0.00 0.00 175.10 173.43 1ona s GLU 8 N 1.20 3.20 -0.62 2.72 -1.05 -0.66 -1.74 118.70 121.74 1ona s GLU 8 Ca -0.04 -0.48 0.03 0.00 -0.15 0.00 0.00 54.97 54.33 1ona s GLU 8 Cb -0.18 -2.93 0.15 0.00 -0.44 0.00 0.00 34.13 30.73 1ona s GLU 8 CO -0.06 0.63 0.40 -0.51 0.95 0.00 0.00 175.26 176.67 1ona s LEU 9 N -2.07 4.71 -0.65 1.83 1.02 0.40 -1.26 118.68 122.67 1ona s LEU 9 Ca 0.28 -3.29 -0.24 0.00 0.02 0.00 0.00 54.13 50.90 1ona s LEU 9 Cb -0.12 -1.70 0.05 0.00 0.02 0.00 0.00 46.19 44.44 1ona s LEU 9 CO 0.20 -0.21 1.03 -0.62 0.02 0.00 0.00 176.35 176.77 1ona s ASP 10 N -0.45 6.22 0.47 2.29 -1.08 -0.00 -1.80 116.67 122.32 1ona s ASP 10 Ca 0.20 -0.69 0.27 0.00 -0.52 0.00 0.00 52.55 51.80 1ona s ASP 10 Cb -0.18 -2.46 0.81 0.00 -1.46 0.00 0.00 42.92 39.63 1ona s ASP 10 CO -0.06 -1.48 1.78 0.71 0.52 0.00 0.00 175.17 176.64 1ona h THR 11 N 6.00 0.16 -3.25 1.71 1.35 -1.61 -2.04 112.91 115.24 1ona h THR 11 Ca -0.28 -0.93 -0.64 0.00 -0.55 0.00 0.00 66.41 64.01 1ona h THR 11 Cb 1.07 1.81 -0.36 0.00 -1.73 0.00 0.00 68.15 68.94 1ona h THR 11 CO 1.18 0.08 -0.84 -0.47 -0.25 0.00 0.00 175.52 175.22 1ona s TYR 12 N -3.44 2.60 -0.06 4.73 5.04 -1.21 -4.55 117.35 120.46 1ona s TYR 12 Ca 0.03 -1.60 -0.30 0.00 -2.44 0.00 0.00 57.07 52.76 1ona s TYR 12 Cb 0.08 -1.78 -0.03 0.00 0.35 0.00 0.00 41.96 40.57 1ona s TYR 12 CO 0.62 -0.77 1.27 -1.25 -1.34 0.00 0.00 175.55 174.08 1ona s PRO 13 N 1.34 4.31 -0.86 4.97 0.04 -1.26 -4.96 135.00 138.58 1ona s PRO 13 Ca 0.02 1.75 -0.00 0.00 0.04 0.00 0.00 61.00 62.81 1ona s PRO 13 Cb -0.14 -3.61 0.22 0.00 0.04 0.00 0.00 34.50 31.01 1ona s PRO 13 CO -0.10 -0.53 0.77 0.09 0.04 0.00 0.00 177.00 177.26 1ona n ASN 14 N 5.54 4.09 0.05 6.66 4.13 -1.26 -4.89 115.26 129.58 1ona n ASN 14 Ca 0.12 -3.18 0.21 0.00 1.68 0.00 0.00 54.58 53.40 1ona n ASN 14 Cb 0.45 -0.98 0.74 0.00 -1.54 0.00 0.00 39.78 38.45 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 4.00 0.50 0.00 3.41 2.02 -1.84 0.23 112.91 121.23 1ona h THR 15 Ca 0.17 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.27 1ona h THR 15 Cb 0.78 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1ona h THR 15 CO 0.86 0.00 -0.36 -2.24 0.37 0.00 0.00 175.52 174.14 1ona h ASP 16 N 0.00 0.00 -0.64 4.18 2.03 -1.90 -2.94 116.42 117.15 1ona h ASP 16 Ca 0.22 0.00 -0.35 0.00 -0.73 0.00 0.00 57.03 56.17 1ona h ASP 16 Cb 1.06 0.00 -0.20 0.00 -0.83 0.00 0.00 39.33 39.35 1ona h ASP 16 CO -0.00 0.36 0.21 2.30 -1.03 0.00 0.00 179.24 181.08 1ona n ILE 17 N -3.95 2.85 -0.62 4.15 -5.35 0.00 -4.93 119.36 111.52 1ona n ILE 17 Ca -0.02 -2.53 0.00 0.00 -0.27 0.00 0.00 62.75 59.94 1ona n ILE 17 Cb 0.42 -0.45 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 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 -1.11 0.69 3.82 3.28 0.00 -1.11 -4.75 105.19 106.01 1ona n GLY 18 Ca 0.45 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.00 7.01 1.01 1.61 1.01 -0.79 -4.91 116.67 119.61 1ona s ASP 19 Ca 0.00 1.54 -0.12 0.00 0.71 0.00 0.00 52.55 54.68 1ona s ASP 19 Cb 0.00 -2.47 0.19 0.00 1.01 0.00 0.00 42.92 41.65 1ona s ASP 19 CO 0.00 -0.15 1.09 -2.16 0.21 0.00 0.00 175.17 174.16 1ona s PRO 20 N -2.58 0.35 0.00 8.23 0.04 -1.26 -3.99 135.00 135.79 1ona s PRO 20 Ca 0.52 0.53 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1ona s PRO 20 Cb -0.13 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1ona s PRO 20 CO 0.19 -2.79 1.64 0.43 0.04 0.00 0.00 177.00 176.50 1ona n SER 21 N -4.22 4.43 -3.53 6.66 7.64 -1.26 -4.58 113.62 118.76 1ona n SER 21 Ca 0.05 -2.18 -0.07 0.00 1.01 0.00 0.00 58.87 57.68 1ona n SER 21 Cb 0.57 -0.91 -0.02 0.00 -1.01 0.00 0.00 64.21 62.84 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 0.18 -0.28 0.42 1.43 -0.85 -1.26 -5.01 117.35 111.97 1ona s TYR 22 Ca 0.00 0.17 -0.25 0.00 -0.52 0.00 0.00 57.07 56.47 1ona s TYR 22 Cb 0.00 0.53 -0.10 0.00 0.38 0.00 0.00 41.96 42.77 1ona s TYR 22 CO 0.00 -0.45 1.24 -2.30 -1.52 0.00 0.00 175.55 172.51 1ona n PRO 23 N -0.20 1.85 -3.98 -3.49 -0.02 -1.26 -4.61 135.00 123.29 1ona n PRO 23 Ca -0.06 0.66 -0.09 0.00 -2.02 0.00 0.00 63.50 61.98 1ona n PRO 23 Cb 0.61 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.71 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 -1.20 0.34 0.13 6.00 -3.43 -0.77 -0.67 115.29 115.69 1ona s HIS 24 Ca 0.61 -0.73 0.11 0.00 -0.80 0.00 0.00 55.06 54.25 1ona s HIS 24 Cb -0.52 0.27 -0.04 0.00 -1.43 0.00 0.00 32.58 30.87 1ona s HIS 24 CO 0.58 -1.08 -0.26 0.96 -2.00 0.00 0.00 174.74 172.94 1ona s ILE 25 N -3.80 2.34 0.30 -5.38 -4.36 -0.27 -0.82 121.20 109.21 1ona s ILE 25 Ca 0.21 -1.72 -0.13 0.00 -0.26 0.00 0.00 60.65 58.76 1ona s ILE 25 Cb -0.02 -2.04 0.01 0.00 1.25 0.00 0.00 42.46 41.67 1ona s ILE 25 CO 0.10 0.10 0.59 -0.83 0.24 0.00 0.00 174.94 175.13 1ona s GLY 26 N -2.06 0.55 -0.23 6.27 0.00 -0.39 -1.07 107.32 110.40 1ona s GLY 26 Ca 0.15 -0.86 0.02 0.00 0.00 0.00 0.00 44.72 44.03 1ona s GLY 26 CO 0.07 -0.53 -0.14 -0.42 0.00 0.00 0.00 173.10 172.08 1ona s ILE 27 N -3.48 2.11 -0.24 0.90 1.01 -0.15 -1.66 121.20 119.68 1ona s ILE 27 Ca 0.20 -1.37 -0.09 0.00 0.00 0.00 0.00 60.65 59.39 1ona s ILE 27 Cb -0.03 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 1ona s ILE 27 CO 0.11 0.18 0.12 -1.81 0.00 0.00 0.00 174.94 173.54 1ona s ASP 28 N 1.18 5.70 -0.38 3.58 1.01 -0.01 0.44 116.67 128.20 1ona s ASP 28 Ca -0.04 -0.03 0.03 0.00 0.71 0.00 0.00 52.55 53.23 1ona s ASP 28 Cb -0.17 -2.03 0.11 0.00 1.01 0.00 0.00 42.92 41.83 1ona s ASP 28 CO -0.08 0.02 0.10 -0.63 0.21 0.00 0.00 175.17 174.79 1ona s ILE 29 N 1.32 2.44 -1.50 0.77 -1.09 -1.26 -1.56 121.20 120.31 1ona s ILE 29 Ca 0.06 -2.50 -0.01 0.00 -2.23 0.00 0.00 60.65 55.97 1ona s ILE 29 Cb -0.15 -2.77 0.01 0.00 -1.58 0.00 0.00 42.46 37.97 1ona s ILE 29 CO 0.06 -0.65 0.14 0.29 -1.23 0.00 0.00 174.94 173.55 1ona n LYS 30 N 4.08 -2.53 -3.63 2.79 5.02 0.16 -4.92 118.16 119.13 1ona n LYS 30 Ca 0.04 0.84 -0.10 0.00 -2.02 0.00 0.00 58.31 57.07 1ona n LYS 30 Cb 0.40 -5.53 -0.07 0.00 -0.02 0.00 0.00 35.03 29.82 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 -2.20 -0.48 0.18 4.39 0.15 -1.26 -4.95 113.70 109.52 1ona s SER 31 Ca 0.08 0.89 0.24 0.00 0.70 0.00 0.00 55.95 57.86 1ona s SER 31 Cb -0.04 0.89 0.91 0.00 -1.71 0.00 0.00 66.02 66.07 1ona s SER 31 CO 0.10 -0.19 1.74 0.55 1.20 0.00 0.00 173.24 176.64 1ona n VAL 32 N 2.10 0.65 -2.82 4.45 3.14 -1.26 -4.42 118.33 120.17 1ona n VAL 32 Ca -0.13 -0.01 -0.43 0.00 -2.96 0.00 0.00 64.34 60.82 1ona n VAL 32 Cb 0.56 -0.83 -0.03 0.00 -1.06 0.00 0.00 33.84 32.48 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 -3.16 3.29 0.08 1.45 0.52 -1.26 -4.98 118.95 114.88 1ona s ARG 33 Ca 0.08 -1.04 -0.36 0.00 -0.52 0.00 0.00 55.73 53.89 1ona s ARG 33 Cb 0.12 -4.50 -0.18 0.00 0.52 0.00 0.00 34.95 30.90 1ona s ARG 33 CO 0.48 -1.87 1.05 0.43 0.02 0.00 0.00 175.30 175.40 1ona n SER 34 N 7.67 0.33 0.22 0.23 7.64 -1.26 -4.81 113.62 123.65 1ona n SER 34 Ca 0.07 1.14 0.10 0.00 1.01 0.00 0.00 58.87 61.19 1ona n SER 34 Cb 0.47 -1.03 0.49 0.00 -1.01 0.00 0.00 64.21 63.13 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 3.02 0.00 -2.19 1.43 1.79 -0.35 -3.43 116.57 116.83 1ona h LYS 35 Ca -0.45 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 57.98 1ona h LYS 35 Cb 1.40 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.83 1ona h LYS 35 CO 0.67 0.23 -0.04 0.21 -1.08 0.00 0.00 179.45 179.44 1ona s LYS 36 N -3.74 0.66 0.41 3.15 2.47 -1.23 -5.00 119.74 116.45 1ona s LYS 36 Ca -0.00 1.03 0.03 0.00 -1.56 0.00 0.00 55.97 55.47 1ona s LYS 36 Cb 0.11 0.18 -0.03 0.00 -1.46 0.00 0.00 37.83 36.62 1ona s LYS 36 CO 0.64 -0.13 0.08 0.95 0.16 0.00 0.00 175.35 177.05 1ona s THR 37 N 1.16 0.90 -0.17 3.43 -4.23 -1.26 -0.98 115.64 114.49 1ona s THR 37 Ca -0.07 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.20 1ona s THR 37 Cb -0.05 -2.45 0.06 0.00 1.34 0.00 0.00 72.50 71.40 1ona s THR 37 CO -0.12 0.00 0.64 0.00 -0.54 0.00 0.00 174.62 174.61 1ona s ALA 38 N -3.15 -1.62 0.42 3.99 0.00 -0.23 -4.95 121.76 116.21 1ona s ALA 38 Ca 0.24 1.61 -0.25 0.00 0.00 0.00 0.00 51.96 53.55 1ona s ALA 38 Cb 0.04 -0.69 -0.08 0.00 0.00 0.00 0.00 23.12 22.39 1ona s ALA 38 CO 0.13 -0.33 1.27 0.21 0.00 0.00 0.00 175.76 177.04 1ona s LYS 39 N -0.21 3.91 -0.08 0.00 2.20 -1.26 -1.12 119.74 123.17 1ona s LYS 39 Ca -0.04 2.07 -0.01 0.00 -0.36 0.00 0.00 55.97 57.63 1ona s LYS 39 Cb -0.03 -2.68 0.03 0.00 -1.51 0.00 0.00 37.83 33.64 1ona s LYS 39 CO 0.04 -0.52 -0.02 -0.46 -0.36 0.00 0.00 175.35 174.03 1ona s TRP 40 N -1.31 0.88 -1.04 4.03 -0.00 0.15 -4.72 118.94 116.92 1ona s TRP 40 Ca 0.58 -0.31 -0.17 0.00 -0.00 0.00 0.00 56.10 56.20 1ona s TRP 40 Cb -0.36 -0.91 0.14 0.00 -0.00 0.00 0.00 33.47 32.34 1ona s TRP 40 CO 0.46 -0.37 1.27 -0.80 -0.00 0.00 0.00 176.95 177.51 1ona s ASN 41 N 1.87 6.77 0.28 5.86 -0.87 -1.26 -4.29 114.94 123.30 1ona s ASN 41 Ca 0.04 -2.33 -0.29 0.00 -1.57 0.00 0.00 52.86 48.71 1ona s ASN 41 Cb -0.12 -2.42 -0.10 0.00 -0.02 0.00 0.00 41.25 38.59 1ona s ASN 41 CO -0.06 -0.99 1.41 -0.32 -2.57 0.00 0.00 177.10 174.57 1ona s MET 42 N 2.55 4.27 -0.48 -0.60 1.75 -1.26 -4.99 119.30 120.54 1ona s MET 42 Ca 0.38 2.31 -0.04 0.00 -1.25 0.00 0.00 55.69 57.09 1ona s MET 42 Cb -0.03 -3.09 0.13 0.00 2.84 0.00 0.00 34.83 34.68 1ona s MET 42 CO -0.06 -0.37 0.29 -0.65 -0.65 0.00 0.00 175.02 173.58 1ona s GLN 43 N -0.91 2.23 0.09 4.11 -0.21 -1.26 -5.06 119.66 118.65 1ona s GLN 43 Ca 0.56 -2.00 -0.34 0.00 0.02 0.00 0.00 55.36 53.60 1ona s GLN 43 Cb -0.42 -3.68 -0.13 0.00 1.00 0.00 0.00 33.01 29.78 1ona s GLN 43 CO 0.48 -1.12 1.65 -1.71 -2.12 0.00 0.00 175.29 172.47 1ona n ASN 44 N 4.35 3.12 0.00 5.90 5.15 -1.26 -1.61 115.26 130.92 1ona n ASN 44 Ca -0.00 1.05 0.00 0.00 -0.60 0.00 0.00 54.58 55.03 1ona n ASN 44 Cb 0.40 -1.40 0.00 0.00 -0.53 0.00 0.00 39.78 38.25 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 3.65 2.13 3.89 8.20 0.00 -0.02 -4.97 105.19 118.07 1ona n GLY 45 Ca 0.19 0.00 -0.32 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 3.35 -0.17 1.61 -0.14 -0.63 -4.93 119.74 118.22 1ona s LYS 46 Ca 0.00 -0.43 -0.28 0.00 -1.36 0.00 0.00 55.97 53.90 1ona s LYS 46 Cb 0.00 -3.01 -0.00 0.00 -1.68 0.00 0.00 37.83 33.13 1ona s LYS 46 CO 0.00 0.63 0.97 0.08 -0.76 0.00 0.00 175.35 176.28 1ona s VAL 47 N -1.40 4.77 0.53 3.17 1.01 -1.26 -4.20 120.40 123.02 1ona s VAL 47 Ca 0.31 1.93 0.08 0.00 0.00 0.00 0.00 61.98 64.29 1ona s VAL 47 Cb -0.13 -4.27 0.05 0.00 0.00 0.00 0.00 36.38 32.04 1ona s VAL 47 CO 0.23 -0.06 0.59 -0.83 0.00 0.00 0.00 175.10 175.03 1ona s GLY 48 N 1.16 2.01 -0.03 4.51 0.00 -0.20 -4.60 107.32 110.18 1ona s GLY 48 Ca 0.44 -1.78 -0.02 0.00 0.00 0.00 0.00 44.72 43.37 1ona s GLY 48 CO 0.12 -1.76 0.07 -1.59 0.00 0.00 0.00 173.10 169.93 1ona s THR 49 N -2.66 -0.01 -0.05 0.90 2.01 -0.44 -1.73 115.64 113.66 1ona s THR 49 Ca 0.50 0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.59 1ona s THR 49 Cb -0.05 -0.11 -0.00 0.00 0.01 0.00 0.00 72.50 72.36 1ona s THR 49 CO 0.31 0.02 -0.17 0.00 -0.69 0.00 0.00 174.62 174.09 1ona s ALA 50 N 0.31 1.51 -0.11 7.40 0.00 -0.62 -0.90 121.76 129.34 1ona s ALA 50 Ca -0.02 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.30 1ona s ALA 50 Cb -0.03 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.58 1ona s ALA 50 CO -0.01 0.26 -0.22 -1.01 0.00 0.00 0.00 175.76 174.78 1ona s HIS 51 N 0.10 2.50 0.05 0.00 3.76 -0.19 -2.59 115.29 118.92 1ona s HIS 51 Ca -0.05 -1.13 0.09 0.00 -0.15 0.00 0.00 55.06 53.82 1ona s HIS 51 Cb -0.12 -1.69 -0.03 0.00 1.11 0.00 0.00 32.58 31.85 1ona s HIS 51 CO 0.02 -0.49 -0.25 0.42 -0.85 0.00 0.00 174.74 173.59 1ona s ILE 52 N 0.60 2.07 -0.09 0.60 1.09 -0.37 -0.58 121.20 124.52 1ona s ILE 52 Ca -0.13 -1.39 -0.16 0.00 -1.10 0.00 0.00 60.65 57.87 1ona s ILE 52 Cb -0.17 -1.78 0.04 0.00 -1.06 0.00 0.00 42.46 39.49 1ona s ILE 52 CO 0.03 0.31 0.40 0.27 -0.10 0.00 0.00 174.94 175.85 1ona s ILE 53 N -0.83 0.02 -0.06 2.92 -4.36 0.24 -1.71 121.20 117.43 1ona s ILE 53 Ca 0.11 -0.19 -0.12 0.00 -0.26 0.00 0.00 60.65 60.19 1ona s ILE 53 Cb -0.10 -0.63 0.02 0.00 1.25 0.00 0.00 42.46 43.00 1ona s ILE 53 CO 0.02 -0.11 0.29 -0.47 0.24 0.00 0.00 174.94 174.92 1ona s TYR 54 N -0.54 -0.23 -0.06 1.37 5.04 -0.75 -0.90 117.35 121.28 1ona s TYR 54 Ca -0.06 0.49 -0.09 0.00 -2.44 0.00 0.00 57.07 54.97 1ona s TYR 54 Cb -0.04 0.09 0.02 0.00 0.35 0.00 0.00 41.96 42.38 1ona s TYR 54 CO 0.03 -0.27 0.23 0.54 -1.34 0.00 0.00 175.55 174.74 1ona s ASN 55 N -0.62 -0.19 0.43 4.32 2.20 -1.26 -2.08 114.94 117.74 1ona s ASN 55 Ca -0.07 0.30 0.30 0.00 -0.94 0.00 0.00 52.86 52.45 1ona s ASN 55 Cb -0.04 0.41 1.37 0.00 -2.00 0.00 0.00 41.25 41.00 1ona s ASN 55 CO 0.02 -0.18 1.89 0.77 -2.94 0.00 0.00 177.10 176.67 1ona h SER 56 N 5.26 0.00 0.10 3.54 4.64 -0.46 0.15 113.55 126.79 1ona h SER 56 Ca -0.27 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 -0.05 0.58 -0.87 0.00 0.00 176.83 176.86 1ona h VAL 57 N 0.00 1.11 0.07 0.95 2.07 -1.87 -3.34 116.25 115.25 1ona h VAL 57 Ca 0.00 -0.99 -0.29 0.00 0.82 0.00 0.00 66.70 66.24 1ona h VAL 57 Cb 0.29 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1ona h VAL 57 CO 0.00 0.23 -1.50 0.44 0.02 0.00 0.00 177.57 176.76 1ona h ASP 58 N -0.61 0.22 -5.64 0.57 3.32 -1.97 -3.48 116.42 108.84 1ona h ASP 58 Ca -0.01 -0.33 -0.37 0.00 0.02 0.00 0.00 57.03 56.33 1ona h ASP 58 Cb 0.49 -0.07 0.14 0.00 0.22 0.00 0.00 39.33 40.10 1ona h ASP 58 CO 0.02 1.28 -0.67 0.29 -1.72 0.00 0.00 179.24 178.45 1ona n LYS 59 N -3.34 -7.50 -5.15 3.56 5.02 0.52 -4.88 118.16 106.40 1ona n LYS 59 Ca -0.14 0.80 -0.31 0.00 -2.02 0.00 0.00 58.31 56.64 1ona n LYS 59 Cb 1.03 -5.75 -0.17 0.00 -0.02 0.00 0.00 35.03 30.11 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 -6.13 2.76 -0.28 1.97 3.52 -1.26 -0.65 118.95 118.88 1ona s ARG 60 Ca 0.48 -0.83 -0.10 0.00 -0.13 0.00 0.00 55.73 55.16 1ona s ARG 60 Cb -0.21 -2.15 -0.03 0.00 -1.56 0.00 0.00 34.95 30.99 1ona s ARG 60 CO 0.70 0.21 0.16 -1.17 -0.81 0.00 0.00 175.30 174.39 1ona s LEU 61 N 0.26 3.96 0.19 -0.88 2.96 -0.34 -4.01 118.68 120.82 1ona s LEU 61 Ca -0.15 -0.19 0.10 0.00 -0.22 0.00 0.00 54.13 53.67 1ona s LEU 61 Cb -0.17 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 1ona s LEU 61 CO 0.07 -0.09 -0.20 -0.44 -1.32 0.00 0.00 176.35 174.37 1ona s SER 62 N 1.70 3.06 -0.00 3.68 0.01 -0.08 -0.90 113.70 121.17 1ona s SER 62 Ca 0.06 -0.89 -0.09 0.00 1.31 0.00 0.00 55.95 56.35 1ona s SER 62 Cb -0.16 -0.21 0.01 0.00 0.21 0.00 0.00 66.02 65.87 1ona s SER 62 CO 0.08 0.03 0.17 0.00 0.41 0.00 0.00 173.24 173.93 1ona s ALA 63 N -2.01 -0.41 -0.06 1.44 0.00 -0.50 -0.59 121.76 119.63 1ona s ALA 63 Ca 0.20 -0.04 -0.03 0.00 0.00 0.00 0.00 51.96 52.09 1ona s ALA 63 Cb -0.06 0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.20 1ona s ALA 63 CO 0.09 -0.22 0.11 0.08 0.00 0.00 0.00 175.76 175.82 1ona s VAL 64 N -1.35 -0.17 -0.12 0.00 1.01 0.25 -2.13 120.40 117.89 1ona s VAL 64 Ca -0.14 0.36 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 1ona s VAL 64 Cb -0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 1ona s VAL 64 CO 0.02 0.15 -0.06 -0.69 0.00 0.00 0.00 175.10 174.52 1ona s VAL 65 N 2.09 3.68 0.06 2.92 1.01 -0.34 -1.02 120.40 128.80 1ona s VAL 65 Ca 0.02 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 1ona s VAL 65 Cb -0.12 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.71 1ona s VAL 65 CO -0.05 0.54 0.27 -0.94 0.00 0.00 0.00 175.10 174.93 1ona s SER 66 N -0.09 -0.06 0.10 3.32 1.04 -0.08 -0.77 113.70 117.17 1ona s SER 66 Ca 0.01 -0.32 0.09 0.00 0.48 0.00 0.00 55.95 56.21 1ona s SER 66 Cb -0.13 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 1ona s SER 66 CO 0.03 -0.65 -0.22 -0.31 0.98 0.00 0.00 173.24 173.07 1ona s TYR 67 N -2.92 1.90 0.32 5.02 2.02 -1.26 -1.33 117.35 121.10 1ona s TYR 67 Ca -0.02 -0.41 -0.29 0.00 -0.37 0.00 0.00 57.07 55.98 1ona s TYR 67 Cb 0.00 -1.05 -0.11 0.00 -0.40 0.00 0.00 41.96 40.41 1ona s TYR 67 CO -0.06 0.23 1.53 -1.25 -1.57 0.00 0.00 175.55 174.43 1ona s PRO 68 N -1.89 4.14 -1.20 -1.71 0.04 -1.26 -2.28 135.00 130.83 1ona s PRO 68 Ca 0.08 2.54 0.00 0.00 0.04 0.00 0.00 61.00 63.66 1ona s PRO 68 Cb -0.10 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.43 1ona s PRO 68 CO 0.04 -0.56 0.00 0.09 0.04 0.00 0.00 177.00 176.61 1ona n ASN 69 N 1.52 -4.49 -4.30 6.66 5.03 -1.26 -4.99 115.26 113.44 1ona n ASN 69 Ca 0.05 0.28 -0.16 0.00 0.87 0.00 0.00 54.58 55.62 1ona n ASN 69 Cb 0.38 -2.98 -0.10 0.00 -1.02 0.00 0.00 39.78 36.06 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 -2.38 1.66 0.90 5.41 0.00 -0.97 -5.14 121.76 121.24 1ona s ALA 70 Ca 0.00 -1.68 -0.12 0.00 0.00 0.00 0.00 51.96 50.16 1ona s ALA 70 Cb 0.00 0.40 0.13 0.00 0.00 0.00 0.00 23.12 23.65 1ona s ALA 70 CO 0.00 -0.23 1.11 -0.51 0.00 0.00 0.00 175.76 176.13 1ona s ASP 71 N -3.25 3.53 0.22 0.00 1.11 -1.26 -4.59 116.67 112.42 1ona s ASP 71 Ca 0.25 1.18 0.10 0.00 0.18 0.00 0.00 52.55 54.27 1ona s ASP 71 Cb 0.05 -1.84 -0.04 0.00 1.07 0.00 0.00 42.92 42.16 1ona s ASP 71 CO 0.06 -2.56 -0.13 -0.94 1.18 0.00 0.00 175.17 172.78 1ona s SER 72 N -3.77 4.01 -0.02 0.27 1.04 -1.26 -4.44 113.70 109.53 1ona s SER 72 Ca 0.63 -0.74 -0.00 0.00 0.48 0.00 0.00 55.95 56.32 1ona s SER 72 Cb -0.16 -0.56 -0.04 0.00 0.10 0.00 0.00 66.02 65.36 1ona s SER 72 CO 0.55 0.08 0.04 0.00 0.98 0.00 0.00 173.24 174.89 1ona s ALA 73 N -1.97 3.43 -0.00 5.32 0.00 0.05 -4.95 121.76 123.65 1ona s ALA 73 Ca 0.26 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.34 1ona s ALA 73 Cb -0.07 -1.48 -0.00 0.00 0.00 0.00 0.00 23.12 21.56 1ona s ALA 73 CO 0.15 0.66 -0.03 0.99 0.00 0.00 0.00 175.76 177.53 1ona s THR 74 N -1.10 0.21 -0.04 0.00 2.01 -1.26 -1.20 115.64 114.26 1ona s THR 74 Ca 0.20 -0.16 -0.03 0.00 0.31 0.00 0.00 61.69 62.01 1ona s THR 74 Cb -0.12 -0.19 0.02 0.00 0.01 0.00 0.00 72.50 72.22 1ona s THR 74 CO 0.10 0.03 0.10 0.54 -0.69 0.00 0.00 174.62 174.70 1ona s VAL 75 N -0.14 -0.02 0.02 3.82 0.11 -0.90 -4.80 120.40 118.49 1ona s VAL 75 Ca 0.00 0.06 0.02 0.00 -2.93 0.00 0.00 61.98 59.13 1ona s VAL 75 Cb -0.01 -0.15 -0.01 0.00 -1.53 0.00 0.00 36.38 34.67 1ona s VAL 75 CO -0.00 0.03 -0.07 -0.44 -3.33 0.00 0.00 175.10 171.28 1ona s SER 76 N 0.40 0.81 -0.12 3.54 0.01 -1.26 -1.41 113.70 115.68 1ona s SER 76 Ca -0.03 -0.33 -0.06 0.00 1.31 0.00 0.00 55.95 56.84 1ona s SER 76 Cb -0.04 -0.02 0.05 0.00 0.21 0.00 0.00 66.02 66.21 1ona s SER 76 CO -0.02 -0.06 0.27 -0.47 0.41 0.00 0.00 173.24 173.37 1ona s TYR 77 N -0.76 -0.38 -0.16 2.43 5.04 -0.08 -4.95 117.35 118.49 1ona s TYR 77 Ca -0.04 0.88 -0.29 0.00 -2.44 0.00 0.00 57.07 55.19 1ona s TYR 77 Cb -0.06 0.07 -0.03 0.00 0.35 0.00 0.00 41.96 42.29 1ona s TYR 77 CO 0.00 -0.27 1.48 -0.51 -1.34 0.00 0.00 175.55 174.92 1ona s ASP 78 N 1.44 6.67 -0.22 4.32 1.01 -1.26 -1.19 116.67 127.44 1ona s ASP 78 Ca -0.08 1.79 -0.15 0.00 0.71 0.00 0.00 52.55 54.82 1ona s ASP 78 Cb -0.10 -2.53 0.07 0.00 1.01 0.00 0.00 42.92 41.36 1ona s ASP 78 CO -0.09 -0.98 0.56 0.54 0.21 0.00 0.00 175.17 175.41 1ona s VAL 79 N 4.23 -0.01 -0.59 -1.27 0.11 0.18 -4.97 120.40 118.07 1ona s VAL 79 Ca 0.65 0.03 -0.18 0.00 -2.93 0.00 0.00 61.98 59.55 1ona s VAL 79 Cb -0.26 -0.81 0.11 0.00 -1.53 0.00 0.00 36.38 33.89 1ona s VAL 79 CO 0.24 0.01 0.67 -0.62 -3.33 0.00 0.00 175.10 172.08 1ona s ASP 80 N 1.14 6.20 0.00 3.54 -1.08 -1.26 -4.30 116.67 120.90 1ona s ASP 80 Ca -0.07 -1.53 0.04 0.00 -0.52 0.00 0.00 52.55 50.47 1ona s ASP 80 Cb -0.06 -2.28 0.16 0.00 -1.46 0.00 0.00 42.92 39.27 1ona s ASP 80 CO -0.11 -1.06 1.10 0.18 0.52 0.00 0.00 175.17 175.79 1ona n LEU 81 N 6.10 0.00 0.19 -1.34 4.77 -1.26 -1.71 117.00 123.75 1ona n LEU 81 Ca -0.10 0.48 0.07 0.00 -0.03 0.00 0.00 56.01 56.43 1ona n LEU 81 Cb 0.42 -0.48 0.25 0.00 -2.33 0.00 0.00 43.42 41.28 1ona n LEU 81 CO 0.57 -0.42 0.67 0.44 -1.33 0.00 0.00 177.39 177.33 1ona h ASP 82 N 0.00 0.00 0.06 -1.43 3.32 -1.92 -0.52 116.42 115.93 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 0.30 -0.42 0.59 -1.72 0.00 0.00 179.24 177.99 1ona n ASN 83 N -3.28 1.73 -0.05 6.45 3.02 -0.70 -4.61 115.26 117.82 1ona n ASN 83 Ca 0.01 -1.33 -0.10 0.00 -0.03 0.00 0.00 54.58 53.13 1ona n ASN 83 Cb 0.56 0.39 -0.03 0.00 -0.61 0.00 0.00 39.78 40.09 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 -0.22 1.20 -3.70 2.41 0.31 -1.03 -5.06 118.33 112.23 1ona n VAL 84 Ca 0.10 0.06 -0.21 0.00 -0.01 0.00 0.00 64.34 64.27 1ona n VAL 84 Cb 0.43 -1.92 -0.01 0.00 -0.91 0.00 0.00 33.84 31.43 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 -7.29 4.16 0.60 7.52 1.43 -0.23 -4.99 118.68 119.88 1ona s LEU 85 Ca -0.20 0.14 -0.08 0.00 -1.03 0.00 0.00 54.13 52.96 1ona s LEU 85 Cb 0.05 -2.97 -0.01 0.00 0.03 0.00 0.00 46.19 43.29 1ona s LEU 85 CO 0.27 -0.21 0.95 -2.16 0.23 0.00 0.00 176.35 175.43 1ona s PRO 86 N -4.12 3.20 0.24 1.29 0.04 -1.26 -4.65 135.00 129.74 1ona s PRO 86 Ca 0.38 0.32 -0.05 0.00 0.04 0.00 0.00 61.00 61.69 1ona s PRO 86 Cb -0.09 -2.20 0.45 0.00 0.04 0.00 0.00 34.50 32.70 1ona s PRO 86 CO 0.31 -0.63 1.70 0.93 0.04 0.00 0.00 177.00 179.35 1ona h GLU 87 N -0.22 0.32 -5.36 4.56 5.08 -1.94 -3.40 114.58 113.61 1ona h GLU 87 Ca -0.45 -0.02 -0.63 0.00 -1.00 0.00 0.00 59.36 57.25 1ona h GLU 87 Cb 1.23 -0.07 -0.19 0.00 0.50 0.00 0.00 28.75 30.22 1ona h GLU 87 CO 0.62 0.21 -0.63 -1.58 -1.00 0.00 0.00 179.01 176.63 1ona s TRP 88 N -6.04 3.11 0.35 4.33 0.52 -1.26 0.36 118.94 120.31 1ona s TRP 88 Ca -0.13 -0.13 0.07 0.00 0.02 0.00 0.00 56.10 55.93 1ona s TRP 88 Cb 0.21 -1.98 -0.03 0.00 -1.15 0.00 0.00 33.47 30.52 1ona s TRP 88 CO 0.76 0.08 0.25 0.14 0.02 0.00 0.00 176.95 178.19 1ona s VAL 89 N 0.24 0.13 0.09 4.03 -7.23 -0.20 -4.18 120.40 113.28 1ona s VAL 89 Ca -0.00 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.23 1ona s VAL 89 Cb -0.13 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.33 1ona s VAL 89 CO 0.02 0.00 -0.17 -0.13 -0.31 0.00 0.00 175.10 174.51 1ona s ARG 90 N -3.50 0.98 0.04 4.82 0.52 -0.54 0.20 118.95 121.48 1ona s ARG 90 Ca 0.36 -1.08 0.08 0.00 -0.52 0.00 0.00 55.73 54.57 1ona s ARG 90 Cb 0.02 -1.08 -0.03 0.00 0.52 0.00 0.00 34.95 34.38 1ona s ARG 90 CO 0.25 0.24 -0.24 0.14 0.02 0.00 0.00 175.30 175.71 1ona s VAL 91 N -1.34 1.95 0.22 3.52 -7.23 -1.26 -1.43 120.40 114.83 1ona s VAL 91 Ca 0.03 -1.29 -0.16 0.00 -1.81 0.00 0.00 61.98 58.75 1ona s VAL 91 Cb -0.09 -1.67 0.06 0.00 0.56 0.00 0.00 36.38 35.23 1ona s VAL 91 CO 0.03 0.33 0.79 0.61 -0.31 0.00 0.00 175.10 176.55 1ona n GLY 92 N 1.87 0.88 3.51 2.32 0.00 -0.57 -0.91 105.19 112.29 1ona n GLY 92 Ca -0.17 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 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 2.79 0.05 0.99 1.43 0.21 -0.98 118.68 123.17 1ona s LEU 93 Ca 0.17 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1ona s LEU 93 Cb -0.03 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 1ona s LEU 93 CO 0.07 0.22 -0.00 -0.55 0.23 0.00 0.00 176.35 176.31 1ona s SER 94 N -1.81 0.42 -0.07 2.29 0.15 0.22 -0.75 113.70 114.15 1ona s SER 94 Ca 0.17 -0.90 -0.29 0.00 0.70 0.00 0.00 55.95 55.63 1ona s SER 94 Cb -0.11 0.20 0.10 0.00 -1.71 0.00 0.00 66.02 64.51 1ona s SER 94 CO 0.09 -0.58 0.87 0.00 1.20 0.00 0.00 173.24 174.81 1ona s ALA 95 N -3.63 -1.84 0.21 5.45 0.00 -0.73 -1.07 121.76 120.14 1ona s ALA 95 Ca 0.04 1.28 -0.08 0.00 0.00 0.00 0.00 51.96 53.20 1ona s ALA 95 Cb 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 1ona s ALA 95 CO -0.09 -0.47 0.31 -1.54 0.00 0.00 0.00 175.76 173.97 1ona s SER 96 N -1.66 0.02 0.15 0.00 1.04 -1.19 -2.02 113.70 110.05 1ona s SER 96 Ca -0.02 -1.05 -0.00 0.00 0.48 0.00 0.00 55.95 55.36 1ona s SER 96 Cb -0.01 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 1ona s SER 96 CO -0.01 -0.97 0.06 0.42 0.98 0.00 0.00 173.24 173.71 1ona s THR 97 N -4.04 0.21 0.00 2.02 -4.23 -0.46 -1.03 115.64 108.11 1ona s THR 97 Ca 0.26 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 1ona s THR 97 Cb 0.03 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.74 1ona s THR 97 CO 0.07 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 1ona n GLY 98 N -0.15 4.41 0.26 3.99 0.00 -1.26 -0.16 105.19 112.27 1ona n GLY 98 Ca -0.05 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.29 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 0.90-10.06 0.99 5.85 -1.96 -0.83 115.31 110.20 1ona h LEU 99 Ca 0.00 -0.38 -0.53 0.00 0.84 0.00 0.00 57.88 57.81 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 1.08 -0.43 -0.31 -0.34 0.00 0.00 178.44 178.44 1ona s TYR 100 N -4.73 3.48 0.36 1.25 2.02 -1.26 -4.88 117.35 113.58 1ona s TYR 100 Ca -0.12 0.17 0.06 0.00 -0.37 0.00 0.00 57.07 56.81 1ona s TYR 100 Cb 0.11 -1.71 -0.03 0.00 -0.40 0.00 0.00 41.96 39.93 1ona s TYR 100 CO 0.84 0.47 0.22 -1.59 -1.57 0.00 0.00 175.55 173.92 1ona s LYS 101 N -3.31 1.81 -0.19 -0.62 -2.85 -1.24 -4.27 119.74 109.08 1ona s LYS 101 Ca 0.36 -2.07 -0.35 0.00 -1.00 0.00 0.00 55.97 52.90 1ona s LYS 101 Cb -0.11 -0.04 0.14 0.00 -2.06 0.00 0.00 37.83 35.76 1ona s LYS 101 CO 0.29 -0.58 1.29 -1.83 0.10 0.00 0.00 175.35 174.62 1ona s GLU 102 N -3.57 0.21 0.25 1.78 -1.05 -1.13 -3.24 118.70 111.95 1ona s GLU 102 Ca 0.34 -0.09 -0.18 0.00 -0.15 0.00 0.00 54.97 54.89 1ona s GLU 102 Cb 0.02 0.09 -0.08 0.00 -0.44 0.00 0.00 34.13 33.72 1ona s GLU 102 CO 0.22 -0.09 0.72 0.95 0.95 0.00 0.00 175.26 178.00 1ona s THR 103 N -2.27 4.62 -0.52 1.83 -4.23 0.69 -4.75 115.64 111.01 1ona s THR 103 Ca 0.11 1.15 0.07 0.00 -1.18 0.00 0.00 61.69 61.84 1ona s THR 103 Cb 0.01 -3.78 0.35 0.00 1.34 0.00 0.00 72.50 70.42 1ona s THR 103 CO -0.04 0.10 0.91 0.59 -0.54 0.00 0.00 174.62 175.63 1ona n ASN 104 N 0.41 3.63 -4.69 3.99 4.13 -1.26 -3.46 115.26 118.01 1ona n ASN 104 Ca -0.01 -3.52 -0.42 0.00 1.68 0.00 0.00 54.58 52.31 1ona n ASN 104 Cb 0.52 -0.57 -0.03 0.00 -1.54 0.00 0.00 39.78 38.16 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 -4.05 4.72 -0.19 3.41 2.01 -1.15 -2.27 115.64 118.12 1ona s THR 105 Ca 0.47 1.99 -0.06 0.00 0.31 0.00 0.00 61.69 64.39 1ona s THR 105 Cb 0.31 -4.28 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 1ona s THR 105 CO -0.13 0.02 0.02 -0.63 -0.69 0.00 0.00 174.62 173.22 1ona s ILE 106 N 1.91 4.25 -0.13 1.82 -1.09 0.35 -0.06 121.20 128.25 1ona s ILE 106 Ca 0.50 -0.22 0.22 0.00 -2.23 0.00 0.00 60.65 58.92 1ona s ILE 106 Cb -0.19 -2.92 -0.23 0.00 -1.58 0.00 0.00 42.46 37.53 1ona s ILE 106 CO 0.20 0.43 0.67 0.18 -1.23 0.00 0.00 174.94 175.19 1ona n LEU 107 N 4.01 0.29 -3.56 2.97 4.32 -0.24 -1.59 117.00 123.21 1ona n LEU 107 Ca -0.17 0.08 -0.07 0.00 -0.02 0.00 0.00 56.01 55.84 1ona n LEU 107 Cb 0.52 -0.02 -0.02 0.00 -1.62 0.00 0.00 43.42 42.28 1ona n LEU 107 CO 0.33 -0.05 0.75 -0.94 -1.22 0.00 0.00 177.39 176.26 1ona s SER 108 N -4.70 -0.29 -0.28 -1.43 1.04 -1.24 -4.30 113.70 102.49 1ona s SER 108 Ca -0.05 -0.07 -0.20 0.00 0.48 0.00 0.00 55.95 56.12 1ona s SER 108 Cb 0.13 0.36 0.11 0.00 0.10 0.00 0.00 66.02 66.72 1ona s SER 108 CO 0.87 -0.60 0.88 0.86 0.98 0.00 0.00 173.24 176.23 1ona s TRP 109 N -3.02 -0.71 0.06 5.02 -0.00 -0.24 -2.28 118.94 117.77 1ona s TRP 109 Ca 0.07 1.53 0.00 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 33.84 1ona s TRP 109 CO -0.07 -0.35 -0.04 -1.54 -0.00 0.00 0.00 176.95 174.95 1ona s SER 110 N 0.96 0.65 -0.12 5.86 1.04 0.82 0.10 113.70 123.02 1ona s SER 110 Ca -0.04 -0.88 -0.20 0.00 0.48 0.00 0.00 55.95 55.31 1ona s SER 110 Cb -0.05 0.14 0.05 0.00 0.10 0.00 0.00 66.02 66.26 1ona s SER 110 CO -0.11 -0.48 0.49 0.12 0.98 0.00 0.00 173.24 174.23 1ona s PHE 111 N -3.23 -0.48 -0.05 5.02 5.36 -0.75 -1.02 117.98 122.84 1ona s PHE 111 Ca 0.03 1.02 -0.03 0.00 -0.96 0.00 0.00 56.93 57.00 1ona s PHE 111 Cb 0.03 0.21 0.03 0.00 -0.34 0.00 0.00 43.02 42.94 1ona s PHE 111 CO -0.06 -0.37 0.11 0.99 -1.46 0.00 0.00 175.22 174.43 1ona s THR 112 N -0.45 -0.03 -0.01 0.12 2.01 -0.79 -1.42 115.64 115.08 1ona s THR 112 Ca -0.06 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.07 1ona s THR 112 Cb -0.03 -0.18 0.00 0.00 0.01 0.00 0.00 72.50 72.30 1ona s THR 112 CO 0.04 0.05 -0.04 -0.55 -0.69 0.00 0.00 174.62 173.42 1ona s SER 113 N 0.69 0.55 -0.02 3.53 0.15 0.09 -1.42 113.70 117.27 1ona s SER 113 Ca -0.05 -0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.52 1ona s SER 113 Cb -0.07 -0.10 0.01 0.00 -1.71 0.00 0.00 66.02 64.15 1ona s SER 113 CO -0.03 0.04 -0.02 -0.54 1.20 0.00 0.00 173.24 173.89 1ona s LYS 114 N 0.05 0.30 -0.30 5.44 1.02 0.63 -0.92 119.74 125.95 1ona s LYS 114 Ca -0.00 -0.02 0.03 0.00 0.02 0.00 0.00 55.97 56.00 1ona s LYS 114 Cb -0.04 -0.39 0.08 0.00 -0.52 0.00 0.00 37.83 36.97 1ona s LYS 114 CO -0.00 -0.04 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.21 1ona s LEU 115 N 0.51 3.90 -0.21 3.17 2.96 -0.16 -1.14 118.68 127.71 1ona s LEU 115 Ca -0.05 -1.76 -0.09 0.00 -0.22 0.00 0.00 54.13 52.01 1ona s LEU 115 Cb -0.08 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 1ona s LEU 115 CO -0.01 -0.30 0.11 -0.54 -1.32 0.00 0.00 176.35 174.28 1ona s LYS 116 N 1.08 4.02 0.43 1.98 1.02 0.54 -1.99 119.74 126.82 1ona s LYS 116 Ca 0.03 -0.31 0.07 0.00 0.02 0.00 0.00 55.97 55.78 1ona s LYS 116 Cb -0.19 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.72 1ona s LYS 116 CO -0.08 0.17 0.22 0.99 -0.92 0.00 0.00 175.35 175.74 1ona s THR 123 N 0.68 2.23 -0.29 2.17 2.01 -1.26 0.07 115.64 121.25 1ona s THR 123 Ca 0.06 -1.64 -0.17 0.00 0.31 0.00 0.00 61.69 60.24 1ona s THR 123 Cb -0.13 -2.87 0.14 0.00 0.01 0.00 0.00 72.50 69.66 1ona s THR 123 CO 0.01 0.00 0.98 0.20 -0.69 0.00 0.00 174.62 175.12 1ona s ASN 124 N -3.98 -0.51 0.04 3.53 -0.87 -0.84 -5.20 114.94 107.11 1ona s ASN 124 Ca 0.40 0.83 -0.05 0.00 -1.57 0.00 0.00 52.86 52.47 1ona s ASN 124 Cb 0.02 1.16 -0.01 0.00 -0.02 0.00 0.00 41.25 42.40 1ona s ASN 124 CO 0.22 -0.13 0.08 0.00 -2.57 0.00 0.00 177.10 174.70 1ona s ALA 125 N 1.20 -0.04 -0.01 0.60 0.00 -1.26 -0.98 121.76 121.26 1ona s ALA 125 Ca -0.07 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.32 1ona s ALA 125 Cb -0.04 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.33 1ona s ALA 125 CO -0.14 -0.31 -0.03 -1.17 0.00 0.00 0.00 175.76 174.11 1ona s LEU 126 N -2.10 1.71 -0.14 0.00 2.96 -0.10 -4.99 118.68 116.02 1ona s LEU 126 Ca -0.05 -0.07 -0.11 0.00 -0.22 0.00 0.00 54.13 53.68 1ona s LEU 126 Cb -0.01 -0.24 0.04 0.00 0.50 0.00 0.00 46.19 46.48 1ona s LEU 126 CO -0.04 -0.00 0.36 -2.28 -1.32 0.00 0.00 176.35 173.07 1ona s HIS 127 N 0.31 -0.44 0.02 5.38 5.65 -1.26 -0.74 115.29 124.22 1ona s HIS 127 Ca -0.03 1.02 -0.04 0.00 0.25 0.00 0.00 55.06 56.27 1ona s HIS 127 Cb -0.06 0.16 -0.01 0.00 -1.18 0.00 0.00 32.58 31.48 1ona s HIS 127 CO -0.01 -0.23 0.05 -0.59 -0.65 0.00 0.00 174.74 173.31 1ona s PHE 128 N 0.58 0.20 -0.04 3.88 -0.12 -0.51 -5.01 117.98 116.97 1ona s PHE 128 Ca -0.03 -0.45 -0.02 0.00 -0.05 0.00 0.00 56.93 56.38 1ona s PHE 128 Cb -0.05 -0.15 0.03 0.00 -0.63 0.00 0.00 43.02 42.22 1ona s PHE 128 CO -0.04 -0.28 0.08 1.41 -0.05 0.00 0.00 175.22 176.35 1ona s MET 129 N -1.92 0.03 -0.39 1.99 1.75 -1.26 -1.80 119.30 117.70 1ona s MET 129 Ca -0.11 0.26 0.03 0.00 -1.25 0.00 0.00 55.69 54.62 1ona s MET 129 Cb -0.06 -0.18 0.11 0.00 2.84 0.00 0.00 34.83 37.54 1ona s MET 129 CO -0.02 -0.15 0.12 -0.06 -0.65 0.00 0.00 175.02 174.26 1ona s PHE 130 N 0.98 3.33 -2.31 4.11 0.08 0.12 -4.89 117.98 119.39 1ona s PHE 130 Ca -0.08 -2.90 0.26 0.00 0.12 0.00 0.00 56.93 54.33 1ona s PHE 130 Cb -0.11 -2.73 1.13 0.00 -0.57 0.00 0.00 43.02 40.74 1ona s PHE 130 CO -0.04 -0.88 1.78 0.09 -0.10 0.00 0.00 175.22 176.07 1ona n ASN 131 N 3.97 1.16 -3.56 1.36 3.02 -1.26 -1.08 115.26 118.86 1ona n ASN 131 Ca 0.04 -1.46 -0.08 0.00 -0.03 0.00 0.00 54.58 53.05 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 -1.95 0.56 -0.05 3.52 -2.07 -1.26 -4.82 119.66 113.58 1ona s GLN 132 Ca 0.37 -0.08 0.05 0.00 -1.82 0.00 0.00 55.36 53.89 1ona s GLN 132 Cb 0.20 0.26 -0.01 0.00 -1.09 0.00 0.00 33.01 32.37 1ona s GLN 132 CO 0.31 -0.22 -0.22 -0.06 -1.32 0.00 0.00 175.29 173.78 1ona s PHE 133 N -2.12 2.17 0.49 9.60 0.08 0.13 -5.03 117.98 123.31 1ona s PHE 133 Ca 0.04 -0.65 0.02 0.00 0.12 0.00 0.00 56.93 56.47 1ona s PHE 133 Cb -0.01 -1.44 0.02 0.00 -0.57 0.00 0.00 43.02 41.02 1ona s PHE 133 CO -0.04 -0.20 0.70 -1.54 -0.10 0.00 0.00 175.22 174.03 1ona s SER 134 N -0.08 5.52 0.23 1.36 1.04 -1.26 -3.79 113.70 116.72 1ona s SER 134 Ca -0.04 -0.01 -0.06 0.00 0.48 0.00 0.00 55.95 56.32 1ona s SER 134 Cb -0.13 -1.03 0.36 0.00 0.10 0.00 0.00 66.02 65.31 1ona s SER 134 CO 0.03 -0.92 1.78 0.07 0.98 0.00 0.00 173.24 175.18 1ona h LYS 135 N 0.30 0.59 -3.01 4.02 -0.00 -1.87 -2.66 116.57 113.93 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 -0.13 -0.40 0.00 -0.00 0.00 0.00 32.23 32.98 1ona h LYS 135 CO 0.52 0.39 -0.72 0.34 -0.00 0.00 0.00 179.45 179.98 1ona s ASP 136 N -5.49 3.72 -1.03 7.07 2.15 -1.26 -4.56 116.67 117.27 1ona s ASP 136 Ca -0.13 -2.85 -0.21 0.00 0.43 0.00 0.00 52.55 49.79 1ona s ASP 136 Cb 0.18 -1.15 0.08 0.00 -0.30 0.00 0.00 42.92 41.73 1ona s ASP 136 CO 0.76 -0.23 1.39 -1.58 -0.17 0.00 0.00 175.17 175.34 1ona s GLN 137 N 0.03 3.65 0.57 4.34 2.00 -1.23 -4.87 119.66 124.15 1ona s GLN 137 Ca 0.19 -1.42 0.38 0.00 -2.00 0.00 0.00 55.36 52.51 1ona s GLN 137 Cb -0.20 -5.25 2.02 0.00 0.80 0.00 0.00 33.01 30.37 1ona s GLN 137 CO -0.03 -2.09 2.16 0.87 -0.50 0.00 0.00 175.29 175.71 1ona h LYS 138 N 9.24 0.00 -0.40 1.67 1.57 -1.95 -1.56 116.57 125.14 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 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1ona h LYS 138 CO 1.34 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.82 1ona n ASP 139 N -2.88 2.41 -4.33 0.86 5.68 -1.26 -4.84 116.55 112.20 1ona n ASP 139 Ca -0.02 -1.94 -0.32 0.00 -0.50 0.00 0.00 54.79 52.01 1ona n ASP 139 Cb 0.09 -0.26 -0.15 0.00 -1.14 0.00 0.00 41.12 39.66 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 -1.17 2.40 -0.48 -2.12 1.43 -0.59 -0.54 118.68 117.62 1ona s LEU 140 Ca 0.32 -0.40 -0.15 0.00 -1.03 0.00 0.00 54.13 52.87 1ona s LEU 140 Cb 0.17 -1.49 0.09 0.00 0.03 0.00 0.00 46.19 44.99 1ona s LEU 140 CO 0.23 0.22 0.40 -0.63 0.23 0.00 0.00 176.35 176.81 1ona s ILE 141 N -0.03 5.13 0.09 -0.59 1.01 0.60 -4.87 121.20 122.54 1ona s ILE 141 Ca -0.06 -1.19 -0.22 0.00 0.00 0.00 0.00 60.65 59.18 1ona s ILE 141 Cb -0.15 -4.12 -0.07 0.00 0.01 0.00 0.00 42.46 38.14 1ona s ILE 141 CO 0.05 -0.63 0.67 -0.76 0.00 0.00 0.00 174.94 174.26 1ona s LEU 142 N 1.61 4.53 0.04 2.97 1.43 -1.26 -0.97 118.68 127.03 1ona s LEU 142 Ca 0.04 1.41 0.03 0.00 -1.03 0.00 0.00 54.13 54.57 1ona s LEU 142 Cb -0.25 -3.08 -0.02 0.00 0.03 0.00 0.00 46.19 42.86 1ona s LEU 142 CO 0.05 0.20 -0.09 -1.10 0.23 0.00 0.00 176.35 175.64 1ona s GLN 143 N -0.88 0.60 5.40 1.70 -0.21 0.15 -4.99 119.66 121.44 1ona s GLN 143 Ca 0.33 -0.71 0.00 0.00 0.02 0.00 0.00 55.36 55.00 1ona s GLN 143 Cb -0.21 -0.47 0.00 0.00 1.00 0.00 0.00 33.01 33.34 1ona s GLN 143 CO 0.22 0.10 0.00 0.41 -2.12 0.00 0.00 175.29 173.90 1ona n GLY 144 N 1.69 1.24 0.46 3.09 0.00 -1.26 -0.37 105.19 110.05 1ona n GLY 144 Ca -0.21 -0.66 0.09 0.00 0.00 0.00 0.00 46.02 45.24 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 4.32 1.38 -4.73 1.61 8.00 0.11 -4.91 116.55 122.33 1ona n ASP 145 Ca 0.00 -1.73 -0.42 0.00 0.71 0.00 0.00 54.79 53.36 1ona n ASP 145 Cb 0.00 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 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 -1.79 3.67 0.03 2.24 0.00 -1.09 -4.29 121.76 120.53 1ona s ALA 146 Ca 0.29 1.30 0.01 0.00 0.00 0.00 0.00 51.96 53.56 1ona s ALA 146 Cb 0.15 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1ona s ALA 146 CO 0.23 -0.73 -0.05 0.95 0.00 0.00 0.00 175.76 176.16 1ona s THR 147 N 0.56 0.30 0.42 0.00 -4.23 -0.24 -4.69 115.64 107.76 1ona s THR 147 Ca 0.64 -0.87 0.07 0.00 -1.18 0.00 0.00 61.69 60.34 1ona s THR 147 Cb -0.42 -0.39 -0.05 0.00 1.34 0.00 0.00 72.50 72.98 1ona s THR 147 CO 0.37 -0.38 0.15 0.42 -0.54 0.00 0.00 174.62 174.64 1ona s THR 148 N -1.24 2.15 0.00 3.99 -4.23 -1.26 -0.98 115.64 114.08 1ona s THR 148 Ca -0.11 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 1ona s THR 148 Cb -0.09 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.84 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 -1.21 2.97 3.18 3.99 0.00 -1.00 -4.59 105.19 108.52 1ona n GLY 149 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 1.86 -0.79 2.61 -2.24 -1.19 -2.83 114.28 109.70 1ona n THR 150 Ca 0.00 -1.68 0.00 0.00 -2.27 0.00 0.00 64.05 60.10 1ona n THR 150 Cb 0.00 -2.30 0.00 0.00 -2.10 0.00 0.00 70.33 65.93 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 8.59 -2.13 0.00 3.42 8.00 -1.26 -2.95 116.55 130.22 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 0.41 -0.37 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 0.87 3.96 0.44 0.00 -1.13 -4.99 105.19 101.71 1ona n GLY 152 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.81 5.48 -0.25 1.61 0.01 -1.15 0.20 114.94 118.04 1ona s ASN 153 Ca 0.00 -0.51 -0.04 0.00 -0.71 0.00 0.00 52.86 51.60 1ona s ASN 153 Cb 0.00 -0.68 0.00 0.00 0.41 0.00 0.00 41.25 40.99 1ona s ASN 153 CO 0.00 -0.70 -0.01 -0.22 -1.51 0.00 0.00 177.10 174.66 1ona s LEU 154 N -4.26 3.23 -0.33 0.60 2.96 -0.62 -2.83 118.68 117.43 1ona s LEU 154 Ca 0.52 -0.60 -0.11 0.00 -0.22 0.00 0.00 54.13 53.72 1ona s LEU 154 Cb -0.08 -1.76 -0.00 0.00 0.50 0.00 0.00 46.19 44.85 1ona s LEU 154 CO 0.31 -0.09 0.19 -1.61 -1.32 0.00 0.00 176.35 173.83 1ona s GLU 155 N 1.45 3.30 0.18 1.98 0.41 -0.15 -0.49 118.70 125.38 1ona s GLU 155 Ca 0.03 -0.76 -0.03 0.00 -0.41 0.00 0.00 54.97 53.81 1ona s GLU 155 Cb -0.16 -3.67 0.09 0.00 -1.78 0.00 0.00 34.13 28.61 1ona s GLU 155 CO -0.02 -0.47 1.48 -0.07 -0.49 0.00 0.00 175.26 175.69 1ona h LEU 156 N 8.41 0.61 -9.24 1.80 3.38 -1.74 -0.62 115.31 117.91 1ona h LEU 156 Ca -0.31 -0.34 -0.57 0.00 0.09 0.00 0.00 57.88 56.75 1ona h LEU 156 Cb 1.14 -0.18 -0.14 0.00 0.09 0.00 0.00 40.66 41.58 1ona h LEU 156 CO 0.63 1.06 -0.71 0.42 0.09 0.00 0.00 178.44 179.94 1ona s THR 157 N -3.91 2.10 0.15 0.22 -4.23 -1.26 -2.61 115.64 106.10 1ona s THR 157 Ca -0.07 -2.24 -0.34 0.00 -1.18 0.00 0.00 61.69 57.86 1ona s THR 157 Cb 0.11 -2.44 -0.15 0.00 1.34 0.00 0.00 72.50 71.36 1ona s THR 157 CO 0.84 -0.33 1.36 0.54 -0.54 0.00 0.00 174.62 176.50 1ona n ARG 158 N -0.65 1.55 -3.87 3.99 5.12 -1.26 -4.79 116.66 116.76 1ona n ARG 158 Ca -0.05 0.56 -0.17 0.00 -1.93 0.00 0.00 57.85 56.25 1ona n ARG 158 Cb 0.62 -2.19 -0.16 0.00 -1.16 0.00 0.00 32.46 29.56 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 0.31 0.12 0.70 1.55 1.01 -1.26 -1.73 120.40 121.10 1ona s VAL 159 Ca 0.77 0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.81 1ona s VAL 159 Cb -0.81 -0.24 0.05 0.00 0.00 0.00 0.00 36.38 35.37 1ona s VAL 159 CO 0.47 0.15 1.04 -0.94 0.00 0.00 0.00 175.10 175.81 1ona s SER 160 N 1.20 5.03 0.19 3.32 1.04 0.11 -4.90 113.70 119.69 1ona s SER 160 Ca -0.07 0.69 -0.22 0.00 0.48 0.00 0.00 55.95 56.83 1ona s SER 160 Cb -0.13 -1.41 0.12 0.00 0.10 0.00 0.00 66.02 64.70 1ona s SER 160 CO -0.02 -1.50 1.57 0.77 0.98 0.00 0.00 173.24 175.03 1ona h SER 161 N -0.61 -1.40 0.00 7.02 4.64 -2.02 0.34 113.55 121.52 1ona h SER 161 Ca -0.45 0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1ona h SER 161 Cb 1.30 0.68 0.00 0.00 -0.31 0.00 0.00 62.40 64.07 1ona h SER 161 CO 0.62 -0.30 0.03 -0.46 -0.87 0.00 0.00 176.83 175.85 1ona n ASN 162 N -5.43 0.00 0.00 4.97 0.23 -1.26 -4.71 115.26 109.06 1ona n ASN 162 Ca 0.05 0.24 0.00 0.00 -0.53 0.00 0.00 54.58 54.34 1ona n ASN 162 Cb 0.36 -0.24 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 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 -1.21 0.81 3.82 4.83 0.00 0.12 -5.07 105.19 108.49 1ona n GLY 163 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.21 7.04 0.43 1.61 0.01 -1.24 -4.78 113.70 114.55 1ona s SER 164 Ca 0.00 1.34 -0.20 0.00 1.31 0.00 0.00 55.95 58.40 1ona s SER 164 Cb 0.00 -2.39 -0.11 0.00 0.21 0.00 0.00 66.02 63.74 1ona s SER 164 CO 0.00 0.10 0.94 -2.16 0.41 0.00 0.00 173.24 172.53 1ona s PRO 165 N -1.76 4.18 0.02 12.44 0.04 -1.26 0.08 135.00 148.74 1ona s PRO 165 Ca 0.39 1.07 0.02 0.00 0.04 0.00 0.00 61.00 62.51 1ona s PRO 165 Cb -0.17 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 1ona s PRO 165 CO 0.21 -0.04 0.03 -0.65 0.04 0.00 0.00 177.00 176.59 1ona s GLN 166 N -3.25 2.83 0.90 4.56 -0.21 -0.71 -4.85 119.66 118.94 1ona s GLN 166 Ca 0.61 -0.62 -0.14 0.00 0.02 0.00 0.00 55.36 55.23 1ona s GLN 166 Cb -0.09 -2.70 0.15 0.00 1.00 0.00 0.00 33.01 31.36 1ona s GLN 166 CO 0.15 0.61 1.24 0.20 -2.12 0.00 0.00 175.29 175.37 1ona s GLY 167 N -1.79 1.67 -1.67 3.09 0.00 -1.26 -4.28 107.32 103.09 1ona s GLY 167 Ca 0.22 -0.90 -0.15 0.00 0.00 0.00 0.00 44.72 43.89 1ona s GLY 167 CO 0.13 -0.26 0.69 1.44 0.00 0.00 0.00 173.10 175.10 1ona n SER 168 N -3.61 -2.62 -4.64 1.64 7.64 -0.32 -4.84 113.62 106.87 1ona n SER 168 Ca 0.11 -1.03 -0.28 0.00 1.01 0.00 0.00 58.87 58.68 1ona n SER 168 Cb 0.60 -2.69 -0.08 0.00 -1.01 0.00 0.00 64.21 61.03 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 -3.49 4.67 -0.17 6.43 0.15 -1.23 -4.92 113.70 115.13 1ona s SER 169 Ca 0.61 -0.39 -0.11 0.00 0.70 0.00 0.00 55.95 56.75 1ona s SER 169 Cb -0.33 -0.97 0.05 0.00 -1.71 0.00 0.00 66.02 63.06 1ona s SER 169 CO 0.93 0.12 0.43 -0.69 1.20 0.00 0.00 173.24 175.23 1ona s VAL 170 N -1.59 -0.02 0.01 4.45 1.01 -1.26 -1.35 120.40 121.66 1ona s VAL 170 Ca 0.26 0.06 -0.23 0.00 0.00 0.00 0.00 61.98 62.07 1ona s VAL 170 Cb -0.10 -0.62 0.05 0.00 0.00 0.00 0.00 36.38 35.71 1ona s VAL 170 CO 0.17 0.02 0.52 -0.83 0.00 0.00 0.00 175.10 174.98 1ona s GLY 171 N 1.01 -0.41 0.11 4.51 0.00 -0.86 0.09 107.32 111.78 1ona s GLY 171 Ca -0.06 0.70 -0.02 0.00 0.00 0.00 0.00 44.72 45.34 1ona s GLY 171 CO -0.08 0.40 0.05 0.50 0.00 0.00 0.00 173.10 173.97 1ona s ARG 172 N -1.97 0.85 -0.08 2.90 0.52 0.50 -1.77 118.95 119.89 1ona s ARG 172 Ca -0.08 -1.35 -0.03 0.00 -0.52 0.00 0.00 55.73 53.75 1ona s ARG 172 Cb -0.01 0.24 0.05 0.00 0.52 0.00 0.00 34.95 35.75 1ona s ARG 172 CO 0.02 -0.23 0.16 0.00 0.02 0.00 0.00 175.30 175.27 1ona s ALA 173 N -4.00 -0.16 -0.04 2.13 0.00 0.07 -0.67 121.76 119.08 1ona s ALA 173 Ca 0.18 0.56 0.03 0.00 0.00 0.00 0.00 51.96 52.73 1ona s ALA 173 Cb 0.07 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 1ona s ALA 173 CO -0.02 -0.56 -0.10 -0.51 0.00 0.00 0.00 175.76 174.57 1ona s LEU 174 N 2.29 3.00 0.30 0.00 1.02 -0.14 -0.62 118.68 124.52 1ona s LEU 174 Ca 0.03 -0.12 -0.29 0.00 0.02 0.00 0.00 54.13 53.77 1ona s LEU 174 Cb -0.12 -1.66 -0.10 0.00 0.02 0.00 0.00 46.19 44.33 1ona s LEU 174 CO -0.06 0.34 1.25 0.12 0.02 0.00 0.00 176.35 178.02 1ona s PHE 175 N -0.83 3.22 0.19 0.29 5.36 -0.09 -0.30 117.98 125.83 1ona s PHE 175 Ca 0.13 1.47 -0.11 0.00 -0.96 0.00 0.00 56.93 57.45 1ona s PHE 175 Cb -0.11 -3.56 0.21 0.00 -0.34 0.00 0.00 43.02 39.22 1ona s PHE 175 CO 0.02 -1.51 1.75 -0.92 -1.46 0.00 0.00 175.22 173.10 1ona h TYR 176 N 3.76 0.35 -3.90 10.12 5.03 -1.15 -3.43 116.97 127.75 1ona h TYR 176 Ca -0.48 0.03 -0.47 0.00 2.58 0.00 0.00 58.73 60.39 1ona h TYR 176 Cb 1.22 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 39.40 1ona h TYR 176 CO 0.57 0.11 0.31 0.00 -1.32 0.00 0.00 178.16 177.83 1ona s ALA 177 N -6.12 3.19 0.55 1.82 0.00 -1.26 -5.02 121.76 114.91 1ona s ALA 177 Ca -0.13 0.44 -0.18 0.00 0.00 0.00 0.00 51.96 52.09 1ona s ALA 177 Cb 0.16 -3.12 -0.06 0.00 0.00 0.00 0.00 23.12 20.09 1ona s ALA 177 CO 0.74 0.18 1.06 -2.14 0.00 0.00 0.00 175.76 175.60 1ona s PRO 178 N -2.39 3.51 -0.11 0.00 0.02 -1.26 -4.77 135.00 129.99 1ona s PRO 178 Ca 0.53 1.31 0.03 0.00 0.02 0.00 0.00 61.00 62.88 1ona s PRO 178 Cb -0.15 -2.05 -0.00 0.00 0.02 0.00 0.00 34.50 32.31 1ona s PRO 178 CO 0.20 -0.67 -0.22 0.08 -0.33 0.00 0.00 177.00 176.07 1ona s VAL 179 N -2.20 2.25 -0.95 3.83 1.01 0.13 -4.93 120.40 119.54 1ona s VAL 179 Ca 0.66 -0.95 -0.24 0.00 0.00 0.00 0.00 61.98 61.46 1ona s VAL 179 Cb -0.17 -1.88 0.05 0.00 0.00 0.00 0.00 36.38 34.38 1ona s VAL 179 CO 0.29 0.55 1.39 -2.28 0.00 0.00 0.00 175.10 175.05 1ona s HIS 180 N 0.43 2.51 0.26 5.22 2.46 -1.26 -1.04 115.29 123.87 1ona s HIS 180 Ca -0.15 -0.70 0.02 0.00 0.47 0.00 0.00 55.06 54.69 1ona s HIS 180 Cb -0.17 -4.65 0.33 0.00 -0.13 0.00 0.00 32.58 27.95 1ona s HIS 180 CO 0.07 -1.94 1.65 0.97 -2.47 0.00 0.00 174.74 173.02 1ona h ILE 181 N 6.57 1.30 -3.41 0.89 6.09 -0.39 -3.46 117.51 125.11 1ona h ILE 181 Ca 0.09 -1.52 -0.03 0.00 -1.37 0.00 0.00 64.86 62.03 1ona h ILE 181 Cb 1.02 1.58 -0.10 0.00 0.47 0.00 0.00 36.82 39.79 1ona h ILE 181 CO 1.38 0.47 -0.02 -1.66 -3.07 0.00 0.00 178.15 175.24 1ona s TRP 182 N -4.23 0.02 -0.30 2.19 1.48 -1.12 -4.71 118.94 112.27 1ona s TRP 182 Ca -0.06 -0.38 -0.13 0.00 -1.06 0.00 0.00 56.10 54.47 1ona s TRP 182 Cb 0.13 0.33 0.17 0.00 -1.16 0.00 0.00 33.47 32.94 1ona s TRP 182 CO 0.80 -0.93 0.99 -2.00 -4.06 0.00 0.00 176.95 171.75 1ona s GLU 183 N -3.91 0.26 0.42 3.25 2.12 -1.26 -4.64 118.70 114.94 1ona s GLU 183 Ca 0.13 0.55 0.29 0.00 0.36 0.00 0.00 54.97 56.30 1ona s GLU 183 Cb -0.01 0.32 1.43 0.00 0.26 0.00 0.00 34.13 36.14 1ona s GLU 183 CO 0.00 -0.19 1.59 0.77 -0.54 0.00 0.00 175.26 176.90 1ona h SER 184 N 7.74 0.25 0.00 -1.70 0.02 -2.02 -0.56 113.55 117.28 1ona h SER 184 Ca -0.15 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1ona h SER 184 Cb 1.15 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.86 1ona h SER 184 CO 0.02 -0.27 0.00 -1.54 -1.14 0.00 0.00 176.83 173.90 1ona n SER 185 N -4.84 0.00 -4.84 3.07 3.41 -1.26 -4.77 113.62 104.39 1ona n SER 185 Ca 0.39 -1.16 -0.36 0.00 -0.26 0.00 0.00 58.87 57.47 1ona n SER 185 Cb 1.46 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 65.34 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 3.81 -0.04 7.33 0.00 -0.22 -5.00 121.76 125.64 1ona s ALA 186 Ca 0.02 -0.66 -0.21 0.00 0.00 0.00 0.00 51.96 51.11 1ona s ALA 186 Cb 0.01 -1.98 -0.32 0.00 0.00 0.00 0.00 23.12 20.83 1ona s ALA 186 CO 0.01 0.53 0.90 0.28 0.00 0.00 0.00 175.76 177.48 1ona h VAL 187 N 4.13 1.45 -3.21 0.00 2.07 -0.67 -3.45 116.25 116.57 1ona h VAL 187 Ca -0.52 -2.56 -0.45 0.00 0.82 0.00 0.00 66.70 63.99 1ona h VAL 187 Cb 1.21 3.16 -0.40 0.00 -1.52 0.00 0.00 31.29 33.74 1ona h VAL 187 CO 0.61 0.73 -0.76 -0.69 0.02 0.00 0.00 177.57 177.49 1ona s VAL 188 N -2.46 0.19 -0.09 2.57 1.01 -1.07 -4.80 120.40 115.75 1ona s VAL 188 Ca -0.13 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1ona s VAL 188 Cb 0.02 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 1ona s VAL 188 CO 0.85 -0.03 -0.09 0.00 0.00 0.00 0.00 175.10 175.83 1ona s ALA 189 N 2.03 2.83 -0.02 5.51 0.00 -1.26 -0.34 121.76 130.51 1ona s ALA 189 Ca 0.03 -0.90 -0.28 0.00 0.00 0.00 0.00 51.96 50.81 1ona s ALA 189 Cb -0.14 -1.22 0.09 0.00 0.00 0.00 0.00 23.12 21.85 1ona s ALA 189 CO -0.07 0.43 0.80 -1.54 0.00 0.00 0.00 175.76 175.39 1ona s SER 190 N -0.30 -0.48 0.18 0.00 1.04 -0.29 0.36 113.70 114.20 1ona s SER 190 Ca 0.04 0.26 -0.12 0.00 0.48 0.00 0.00 55.95 56.61 1ona s SER 190 Cb -0.13 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1ona s SER 190 CO 0.03 -0.63 0.36 0.72 0.98 0.00 0.00 173.24 174.70 1ona s PHE 191 N -2.33 0.24 0.01 5.02 -0.12 -0.88 -0.27 117.98 119.65 1ona s PHE 191 Ca -0.01 -0.60 -0.23 0.00 -0.05 0.00 0.00 56.93 56.04 1ona s PHE 191 Cb -0.01 0.09 0.05 0.00 -0.63 0.00 0.00 43.02 42.52 1ona s PHE 191 CO -0.03 -0.79 0.53 -1.83 -0.05 0.00 0.00 175.22 173.05 1ona s GLU 192 N -3.94 0.98 0.03 1.99 -1.05 -0.51 -1.81 118.70 114.39 1ona s GLU 192 Ca 0.15 -0.11 -0.08 0.00 -0.15 0.00 0.00 54.97 54.78 1ona s GLU 192 Cb 0.02 0.45 -0.00 0.00 -0.44 0.00 0.00 34.13 34.16 1ona s GLU 192 CO -0.01 -0.33 0.15 0.00 0.95 0.00 0.00 175.26 176.02 1ona s ALA 193 N -1.96 -0.27 -0.12 -0.84 0.00 -0.69 -1.88 121.76 116.00 1ona s ALA 193 Ca -0.08 -0.30 -0.10 0.00 0.00 0.00 0.00 51.96 51.48 1ona s ALA 193 Cb -0.01 0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.35 1ona s ALA 193 CO 0.02 -0.30 0.31 0.99 0.00 0.00 0.00 175.76 176.78 1ona s THR 194 N -2.17 -0.01 -0.01 0.00 2.01 -0.19 -1.23 115.64 114.04 1ona s THR 194 Ca -0.08 0.03 -0.12 0.00 0.31 0.00 0.00 61.69 61.82 1ona s THR 194 Cb -0.03 -0.44 0.02 0.00 0.01 0.00 0.00 72.50 72.05 1ona s THR 194 CO -0.02 0.01 0.25 0.72 -0.69 0.00 0.00 174.62 174.89 1ona s PHE 195 N 0.42 -0.11 0.03 4.92 -0.12 -1.07 -0.12 117.98 121.93 1ona s PHE 195 Ca -0.02 0.14 0.04 0.00 -0.05 0.00 0.00 56.93 57.04 1ona s PHE 195 Cb -0.04 0.05 -0.03 0.00 -0.63 0.00 0.00 43.02 42.36 1ona s PHE 195 CO -0.02 -0.35 -0.08 0.95 -0.05 0.00 0.00 175.22 175.67 1ona s THR 196 N -1.32 3.54 0.17 -4.49 -4.23 -0.96 -1.59 115.64 106.76 1ona s THR 196 Ca -0.14 -0.91 -0.01 0.00 -1.18 0.00 0.00 61.69 59.45 1ona s THR 196 Cb -0.06 -2.57 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 1ona s THR 196 CO 0.03 0.32 0.08 0.72 -0.54 0.00 0.00 174.62 175.24 1ona s PHE 197 N -1.05 1.07 -0.32 3.99 -0.71 -0.70 -1.08 117.98 119.18 1ona s PHE 197 Ca 0.18 -1.27 -0.02 0.00 -1.04 0.00 0.00 56.93 54.78 1ona s PHE 197 Cb -0.11 -0.57 0.11 0.00 -1.21 0.00 0.00 43.02 41.24 1ona s PHE 197 CO 0.09 -0.53 0.14 -1.17 -1.34 0.00 0.00 175.22 172.42 1ona s LEU 198 N -3.13 1.35 -0.38 -1.99 2.96 0.92 -1.03 118.68 117.38 1ona s LEU 198 Ca 0.31 -1.69 -0.16 0.00 -0.22 0.00 0.00 54.13 52.37 1ona s LEU 198 Cb 0.07 -0.58 0.00 0.00 0.50 0.00 0.00 46.19 46.18 1ona s LEU 198 CO 0.07 -0.39 0.40 -0.63 -1.32 0.00 0.00 176.35 174.48 1ona s ILE 199 N 1.60 5.12 -0.05 6.68 1.01 -1.26 -2.94 121.20 131.36 1ona s ILE 199 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.64 1ona s ILE 199 Cb -0.18 -3.93 0.02 0.00 0.01 0.00 0.00 42.46 38.38 1ona s ILE 199 CO -0.23 -0.26 -0.03 -0.75 0.00 0.00 0.00 174.94 173.68 1ona s LYS 200 N 2.09 0.71 -0.04 2.79 2.20 -1.22 -0.84 119.74 125.42 1ona s LYS 200 Ca 0.12 -0.02 0.02 0.00 -0.36 0.00 0.00 55.97 55.73 1ona s LYS 200 Cb -0.17 -0.85 0.01 0.00 -1.51 0.00 0.00 37.83 35.32 1ona s LYS 200 CO 0.13 -0.16 -0.07 0.45 -0.36 0.00 0.00 175.35 175.34 1ona s SER 201 N 1.27 1.12 0.29 1.43 0.15 -1.26 -0.22 113.70 116.49 1ona s SER 201 Ca -0.06 -0.17 0.09 0.00 0.70 0.00 0.00 55.95 56.51 1ona s SER 201 Cb -0.14 -0.46 0.44 0.00 -1.71 0.00 0.00 66.02 64.16 1ona s SER 201 CO -0.02 -0.00 1.67 1.55 1.20 0.00 0.00 173.24 177.64 1ona h PRO 202 N 6.86 0.11 -7.23 5.44 0.13 -1.99 -3.45 132.00 131.87 1ona h PRO 202 Ca -0.35 -0.06 -0.50 0.00 -0.87 0.00 0.00 66.00 64.21 1ona h PRO 202 Cb 1.17 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.35 1ona h PRO 202 CO 0.48 0.59 0.32 0.16 -0.23 0.00 0.00 178.00 179.32 1ona s ASP 203 N -6.88 6.21 0.59 1.44 1.47 -1.26 -4.97 116.67 113.27 1ona s ASP 203 Ca -0.03 1.25 0.30 0.00 1.18 0.00 0.00 52.55 55.25 1ona s ASP 203 Cb 0.13 -2.38 1.84 0.00 -0.34 0.00 0.00 42.92 42.18 1ona s ASP 203 CO 0.76 -0.80 2.25 0.77 0.68 0.00 0.00 175.17 178.84 1ona h SER 204 N -0.16 0.00 -3.41 2.11 4.64 -1.97 -3.36 113.55 111.40 1ona h SER 204 Ca -0.45 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.27 1ona h SER 204 Cb 1.20 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.89 1ona h SER 204 CO 0.62 0.00 -0.74 -2.28 -0.87 0.00 0.00 176.83 173.56 1ona s HIS 205 N -4.62 1.96 0.55 4.77 5.65 -1.26 -5.12 115.29 117.23 1ona s HIS 205 Ca -0.05 -2.26 -0.19 0.00 0.25 0.00 0.00 55.06 52.81 1ona s HIS 205 Cb 0.15 -1.87 -0.05 0.00 -1.18 0.00 0.00 32.58 29.63 1ona s HIS 205 CO 0.54 -0.81 1.14 -1.25 -0.65 0.00 0.00 174.74 173.71 1ona s PRO 206 N 0.71 3.28 0.08 2.88 0.04 -1.26 -4.42 135.00 136.31 1ona s PRO 206 Ca 0.15 1.64 -0.22 0.00 0.04 0.00 0.00 61.00 62.61 1ona s PRO 206 Cb -0.23 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.38 1ona s PRO 206 CO -0.06 -0.92 0.53 0.00 0.04 0.00 0.00 177.00 176.60 1ona s ALA 207 N -1.76 -1.37 -0.02 8.56 0.00 -1.20 -4.02 121.76 121.95 1ona s ALA 207 Ca 0.73 0.52 0.05 0.00 0.00 0.00 0.00 51.96 53.27 1ona s ALA 207 Cb -0.25 0.53 -0.07 0.00 0.00 0.00 0.00 23.12 23.33 1ona s ALA 207 CO 0.28 -0.58 0.08 -0.25 0.00 0.00 0.00 175.76 175.29 1ona n ASP 208 N 0.15 3.84 0.00 0.00 9.92 -0.19 -2.83 116.55 127.43 1ona n ASP 208 Ca -0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.08 1ona n ASP 208 Cb 0.62 1.05 0.00 0.00 -0.64 0.00 0.00 41.12 42.15 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 2.36 -0.60 3.24 0.44 0.00 -1.24 -1.83 105.19 107.56 1ona n GLY 209 Ca -0.03 -1.69 -0.18 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.49 1.32 -0.10 -0.61 1.01 -0.74 -3.19 121.20 117.41 1ona s ILE 210 Ca 0.00 -1.66 -0.16 0.00 0.00 0.00 0.00 60.65 58.82 1ona s ILE 210 Cb 0.00 -1.48 0.04 0.00 0.01 0.00 0.00 42.46 41.03 1ona s ILE 210 CO 0.00 -0.38 0.41 0.00 0.00 0.00 0.00 174.94 174.97 1ona s ALA 211 N -2.00 -1.02 -0.13 9.38 0.00 -0.23 -0.45 121.76 127.30 1ona s ALA 211 Ca 0.08 0.91 -0.09 0.00 0.00 0.00 0.00 51.96 52.85 1ona s ALA 211 Cb -0.06 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1ona s ALA 211 CO 0.03 -0.24 0.17 0.12 0.00 0.00 0.00 175.76 175.84 1ona s PHE 212 N -0.44 3.56 0.11 0.00 5.36 -0.71 -0.61 117.98 125.25 1ona s PHE 212 Ca -0.06 0.53 -0.03 0.00 -0.96 0.00 0.00 56.93 56.42 1ona s PHE 212 Cb -0.03 -2.04 -0.03 0.00 -0.34 0.00 0.00 43.02 40.58 1ona s PHE 212 CO 0.03 0.61 0.08 -0.59 -1.46 0.00 0.00 175.22 173.89 1ona s PHE 213 N -0.66 0.64 -0.07 10.12 -0.71 -0.15 -0.79 117.98 126.36 1ona s PHE 213 Ca 0.14 -1.07 0.01 0.00 -1.04 0.00 0.00 56.93 54.98 1ona s PHE 213 Cb -0.12 -0.36 0.02 0.00 -1.21 0.00 0.00 43.02 41.35 1ona s PHE 213 CO 0.04 -0.52 -0.07 0.42 -1.34 0.00 0.00 175.22 173.75 1ona s ILE 214 N -3.99 0.81 0.36 -4.49 1.01 0.13 -1.51 121.20 113.52 1ona s ILE 214 Ca 0.17 -0.25 0.07 0.00 0.00 0.00 0.00 60.65 60.64 1ona s ILE 214 Cb 0.07 -0.81 -0.03 0.00 0.01 0.00 0.00 42.46 41.71 1ona s ILE 214 CO -0.03 0.30 0.25 -0.94 0.00 0.00 0.00 174.94 174.52 1ona s SER 215 N 1.07 2.05 0.57 3.58 1.04 -0.51 -1.87 113.70 119.62 1ona s SER 215 Ca -0.08 -1.76 -0.20 0.00 0.48 0.00 0.00 55.95 54.39 1ona s SER 215 Cb -0.14 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.51 1ona s SER 215 CO -0.01 -1.05 1.24 0.54 0.98 0.00 0.00 173.24 174.94 1ona s ASN 216 N -3.45 5.30 0.45 7.02 4.22 -1.21 -1.46 114.94 125.81 1ona s ASN 216 Ca 0.36 2.48 0.20 0.00 -2.14 0.00 0.00 52.86 53.75 1ona s ASN 216 Cb 0.02 -2.61 1.16 0.00 1.28 0.00 0.00 41.25 41.10 1ona s ASN 216 CO 0.25 -1.52 1.88 0.40 -2.04 0.00 0.00 177.10 176.07 1ona h ILE 217 N 1.13 0.68 -0.86 0.54 2.04 -1.84 -2.00 117.51 117.20 1ona h ILE 217 Ca -0.50 -0.11 -0.50 0.00 1.00 0.00 0.00 64.86 64.75 1ona h ILE 217 Cb 1.29 0.33 -0.26 0.00 -0.74 0.00 0.00 36.82 37.45 1ona h ILE 217 CO 0.56 0.06 0.64 -0.90 0.00 0.00 0.00 178.15 178.50 1ona n ASP 218 N -4.46 5.02 -4.77 1.72 5.75 -1.26 -4.80 116.55 113.75 1ona n ASP 218 Ca 0.18 -3.46 -0.38 0.00 -0.01 0.00 0.00 54.79 51.12 1ona n ASP 218 Cb 0.71 -0.87 -0.04 0.00 -1.03 0.00 0.00 41.12 39.89 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 -1.09 6.85 0.05 -1.12 0.15 -0.75 -5.05 113.70 112.74 1ona s SER 219 Ca 0.51 2.12 -0.06 0.00 0.70 0.00 0.00 55.95 59.22 1ona s SER 219 Cb 0.42 -2.60 -0.01 0.00 -1.71 0.00 0.00 66.02 62.12 1ona s SER 219 CO 0.06 -0.43 0.12 -0.94 1.20 0.00 0.00 173.24 173.25 1ona s SER 220 N -1.37 0.18 0.00 5.45 1.04 -1.26 -5.07 113.70 112.67 1ona s SER 220 Ca 0.55 -0.60 -0.32 0.00 0.48 0.00 0.00 55.95 56.06 1ona s SER 220 Cb -0.25 0.26 -0.10 0.00 0.10 0.00 0.00 66.02 66.03 1ona s SER 220 CO 0.32 -0.58 1.93 -0.38 0.98 0.00 0.00 173.24 175.50 1ona n ILE 221 N 0.46 0.66 -1.94 -1.02 5.41 -1.26 -4.92 119.36 116.75 1ona n ILE 221 Ca -0.17 -0.12 -0.39 0.00 1.00 0.00 0.00 62.75 63.07 1ona n ILE 221 Cb 0.60 -2.13 0.01 0.00 -0.71 0.00 0.00 39.64 37.41 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 4.13 3.71 0.33 0.38 0.02 -1.26 -4.92 135.00 137.39 1ona s PRO 222 Ca 0.90 2.22 -0.29 0.00 0.02 0.00 0.00 61.00 63.85 1ona s PRO 222 Cb -0.54 -2.61 -0.11 0.00 0.02 0.00 0.00 34.50 31.27 1ona s PRO 222 CO 0.45 -0.73 1.46 -1.12 -0.33 0.00 0.00 177.00 176.73 1ona s SER 223 N -0.75 6.50 0.00 2.53 0.01 -1.26 -2.41 113.70 118.32 1ona s SER 223 Ca 0.61 2.89 0.00 0.00 1.31 0.00 0.00 55.95 60.76 1ona s SER 223 Cb -0.40 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.18 1ona s SER 223 CO 0.50 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.98 1ona n GLY 224 N 1.13 0.68 1.41 3.44 0.00 -1.26 -4.90 105.19 105.69 1ona n GLY 224 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.06 3.87 -2.85 1.61 3.41 -1.01 -4.81 113.62 113.78 1ona n SER 225 Ca 0.00 -2.02 -0.13 0.00 -0.26 0.00 0.00 58.87 56.46 1ona n SER 225 Cb 0.03 -0.78 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 1.29 0.00 -1.84 6.66 -2.24 -1.26 -1.10 114.28 115.80 1ona n THR 226 Ca 0.00 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1ona n THR 226 Cb 0.41 -1.77 0.00 0.00 -2.10 0.00 0.00 70.33 66.88 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 1.09 2.89 0.05 3.38 0.00 0.77 -2.80 105.19 110.57 1ona n GLY 227 Ca 0.07 -0.21 0.03 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.13 116.66 130.77 1ona n ARG 228 Ca 0.00 0.53 0.14 0.00 -1.00 0.00 0.00 57.85 57.52 1ona n ARG 228 Cb 0.00 -1.63 0.53 0.00 -1.05 0.00 0.00 32.46 30.30 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 -1.72 1.01 -1.25 2.89 4.77 -1.12 -4.93 117.00 116.65 1ona n LEU 229 Ca -0.00 -0.28 -0.11 0.00 -0.03 0.00 0.00 56.01 55.59 1ona n LEU 229 Cb 0.02 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 40.98 1ona n LEU 229 CO 0.03 0.18 -0.10 0.18 -1.33 0.00 0.00 177.39 176.35 1ona n LEU 230 N -0.43 -0.76 -0.36 2.23 4.77 -0.90 -0.63 117.00 120.92 1ona n LEU 230 Ca 0.16 0.27 -0.05 0.00 -0.03 0.00 0.00 56.01 56.37 1ona n LEU 230 Cb 0.32 -1.83 -0.02 0.00 -2.33 0.00 0.00 43.42 39.56 1ona n LEU 230 CO 0.21 -0.62 -0.04 0.61 -1.33 0.00 0.00 177.39 176.22 1ona n GLY 231 N -0.16 0.73 0.32 -0.72 0.00 -0.26 -3.88 105.19 101.23 1ona n GLY 231 Ca -0.11 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.53 2.00 -4.51 0.99 4.77 0.20 -4.47 117.00 115.45 1ona n LEU 232 Ca -0.05 0.03 -0.30 0.00 -0.03 0.00 0.00 56.01 55.67 1ona n LEU 232 Cb 0.19 -0.36 -0.11 0.00 -2.33 0.00 0.00 43.42 40.81 1ona n LEU 232 CO 0.07 0.48 -0.47 -0.36 -1.33 0.00 0.00 177.39 175.78 1ona s PHE 233 N -2.21 2.59 -0.55 -1.77 0.08 -1.13 -4.76 117.98 110.23 1ona s PHE 233 Ca -0.15 -0.23 0.26 0.00 0.12 0.00 0.00 56.93 56.92 1ona s PHE 233 Cb 0.05 -1.37 0.75 0.00 -0.57 0.00 0.00 43.02 41.88 1ona s PHE 233 CO 0.23 0.39 1.74 -1.00 -0.10 0.00 0.00 175.22 176.48 1ona h PRO 234 N 3.73 0.00 -3.16 0.24 0.13 -1.92 -3.43 132.00 127.60 1ona h PRO 234 Ca -0.50 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1ona h PRO 234 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 1ona h PRO 234 CO 0.48 0.00 0.18 0.16 -0.23 0.00 0.00 178.00 178.58 1ona s ASP 235 N -5.06 -0.05 -0.19 1.44 1.47 -1.26 -4.93 116.67 108.09 1ona s ASP 235 Ca 0.08 -0.92 0.04 0.00 1.18 0.00 0.00 52.55 52.93 1ona s ASP 235 Cb 0.10 0.76 0.39 0.00 -0.34 0.00 0.00 42.92 43.83 1ona s ASP 235 CO 0.58 -1.46 1.35 0.00 0.68 0.00 0.00 175.17 176.32 1ona n ALA 236 N -0.49 3.75 1.87 2.11 0.00 -1.26 -4.72 120.51 121.78 1ona n ALA 236 Ca -0.05 -1.31 0.15 0.00 0.00 0.00 0.00 53.44 52.23 1ona n ALA 236 Cb 0.60 -1.16 0.89 0.00 0.00 0.00 0.00 19.45 19.77 1ona n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59