#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cna n ASP 2 N 0.00 -3.33 -4.31 0.00 2.03 -1.26 -4.80 116.55 104.87 2cna n ASP 2 Ca 0.00 -2.92 -0.27 0.00 0.52 0.00 0.00 54.79 52.12 2cna n ASP 2 Cb 0.00 1.68 -0.13 0.00 -0.72 0.00 0.00 41.12 41.94 2cna n ASP 2 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2cna s THR 3 N 0.83 1.91 0.02 5.18 -4.23 -1.26 -5.07 115.64 113.02 2cna s THR 3 Ca 0.30 -1.48 -0.16 0.00 -1.18 0.00 0.00 61.69 59.17 2cna s THR 3 Cb 0.01 -1.69 0.03 0.00 1.34 0.00 0.00 72.50 72.19 2cna s THR 3 CO -0.06 0.12 0.35 -0.51 -0.54 0.00 0.00 174.62 173.97 2cna s ILE 4 N -0.98 0.06 -0.09 2.99 -1.16 -1.26 -3.65 121.20 117.11 2cna s ILE 4 Ca 0.10 -0.52 0.03 0.00 -0.51 0.00 0.00 60.65 59.74 2cna s ILE 4 Cb -0.10 -0.82 -0.01 0.00 0.61 0.00 0.00 42.46 42.14 2cna s ILE 4 CO 0.04 -0.29 -0.18 -0.69 -2.81 0.00 0.00 174.94 171.01 2cna s VAL 5 N -2.01 2.67 0.04 4.00 1.01 0.24 -2.68 120.40 123.67 2cna s VAL 5 Ca -0.09 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.10 2cna s VAL 5 Cb -0.02 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 2cna s VAL 5 CO 0.00 0.55 -0.09 0.00 0.00 0.00 0.00 175.10 175.57 2cna s ALA 6 N 0.00 0.67 -0.25 5.51 0.00 -0.69 0.19 121.76 127.19 2cna s ALA 6 Ca -0.06 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.17 2cna s ALA 6 Cb -0.15 -0.00 0.04 0.00 0.00 0.00 0.00 23.12 23.01 2cna s ALA 6 CO 0.05 0.03 -0.10 0.08 0.00 0.00 0.00 175.76 175.82 2cna s VAL 7 N -1.20 2.43 0.03 0.00 1.01 0.26 -1.82 120.40 121.11 2cna s VAL 7 Ca -0.07 -1.33 0.05 0.00 0.00 0.00 0.00 61.98 60.64 2cna s VAL 7 Cb -0.09 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 2cna s VAL 7 CO 0.01 0.12 -0.11 -1.83 0.00 0.00 0.00 175.10 173.29 2cna s GLU 8 N 1.21 2.33 -0.42 2.72 -1.05 -1.19 0.19 118.70 122.48 2cna s GLU 8 Ca -0.04 -0.85 -0.11 0.00 -0.15 0.00 0.00 54.97 53.82 2cna s GLU 8 Cb -0.18 -2.36 0.06 0.00 -0.44 0.00 0.00 34.13 31.21 2cna s GLU 8 CO -0.06 0.57 0.27 -0.51 0.95 0.00 0.00 175.26 176.48 2cna s LEU 9 N -1.53 5.14 -0.43 1.83 1.02 0.53 -3.76 118.68 121.47 2cna s LEU 9 Ca 0.17 -1.34 -0.16 0.00 0.02 0.00 0.00 54.13 52.81 2cna s LEU 9 Cb -0.11 -2.03 0.03 0.00 0.02 0.00 0.00 46.19 44.10 2cna s LEU 9 CO 0.08 -0.52 0.40 -0.62 0.02 0.00 0.00 176.35 175.70 2cna s ASP 10 N 2.07 6.16 -0.20 2.29 -1.08 -0.71 0.58 116.67 125.78 2cna s ASP 10 Ca 0.03 -0.85 -0.21 0.00 -0.52 0.00 0.00 52.55 51.00 2cna s ASP 10 Cb -0.22 -2.20 -0.18 0.00 -1.46 0.00 0.00 42.92 38.85 2cna s ASP 10 CO 0.04 -0.56 0.20 0.71 0.52 0.00 0.00 175.17 176.08 2cna h THR 11 N 5.71 0.87 -2.52 1.71 1.35 0.20 -1.75 112.91 118.49 2cna h THR 11 Ca -0.27 -2.10 -0.72 0.00 -0.55 0.00 0.00 66.41 62.77 2cna h THR 11 Cb 1.11 2.10 -0.19 0.00 -1.73 0.00 0.00 68.15 69.44 2cna h THR 11 CO 0.79 0.30 0.94 -0.47 -0.25 0.00 0.00 175.52 176.83 2cna s TYR 12 N -2.35 3.40 -0.69 4.73 6.14 -0.88 -4.30 117.35 123.40 2cna s TYR 12 Ca -0.28 -1.82 -0.26 0.00 0.64 0.00 0.00 57.07 55.35 2cna s TYR 12 Cb 0.05 -4.22 -0.13 0.00 0.42 0.00 0.00 41.96 38.08 2cna s TYR 12 CO 0.57 -1.37 2.48 -0.35 0.64 0.00 0.00 175.55 177.51 2cna n PRO 13 N 5.71 0.64 -2.76 4.97 -0.04 -1.26 -4.91 135.00 137.35 2cna n PRO 13 Ca 0.28 -0.12 -0.43 0.00 -0.04 0.00 0.00 63.50 63.19 2cna n PRO 13 Cb 0.46 -2.83 -0.02 0.00 -0.04 0.00 0.00 33.50 31.07 2cna n PRO 13 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2cna s ASN 14 N 10.50 6.68 0.30 3.54 0.01 -1.26 -4.86 114.94 129.85 2cna s ASN 14 Ca 1.09 -2.05 0.05 0.00 -0.71 0.00 0.00 52.86 51.24 2cna s ASN 14 Cb -0.49 -2.48 0.80 0.00 0.41 0.00 0.00 41.25 39.49 2cna s ASN 14 CO 0.32 -1.18 1.63 0.74 -1.51 0.00 0.00 177.10 177.10 2cna h THR 15 N 5.94 0.24 0.00 1.60 2.02 -1.84 -0.14 112.91 120.74 2cna h THR 15 Ca 0.23 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.36 2cna h THR 15 Cb 0.98 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 2cna h THR 15 CO 1.28 0.03 0.39 0.47 0.37 0.00 0.00 175.52 178.06 2cna n ASP 16 N -5.26 0.25 -0.12 4.18 8.00 -1.26 -2.60 116.55 119.75 2cna n ASP 16 Ca 0.24 0.48 -0.22 0.00 0.71 0.00 0.00 54.79 55.99 2cna n ASP 16 Cb 0.77 -0.39 -0.08 0.00 -0.02 0.00 0.00 41.12 41.41 2cna n ASP 16 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2cna n ILE 17 N -1.94 1.52 0.00 0.53 -0.00 -0.06 -5.03 119.36 114.37 2cna n ILE 17 Ca -0.01 -0.19 0.00 0.00 -0.00 0.00 0.00 62.75 62.55 2cna n ILE 17 Cb 0.40 -2.05 0.00 0.00 -0.00 0.00 0.00 39.64 37.99 2cna n ILE 17 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2cna n GLY 18 N 1.33 -0.47 3.80 7.39 0.00 -1.07 -4.97 105.19 111.20 2cna n GLY 18 Ca -0.40 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 2cna n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cna s ASP 19 N 0.00 7.16 0.47 1.61 -0.00 -1.26 -5.02 116.67 119.63 2cna s ASP 19 Ca 0.00 1.63 0.00 0.00 -0.00 0.00 0.00 52.55 54.18 2cna s ASP 19 Cb 0.00 -2.50 0.00 0.00 -0.00 0.00 0.00 42.92 40.42 2cna s ASP 19 CO 0.00 -0.07 0.00 -0.81 -0.00 0.00 0.00 175.17 174.29 2cna n PRO 20 N 0.45 0.10 -0.18 8.23 -0.04 -1.26 -4.52 135.00 137.79 2cna n PRO 20 Ca 0.01 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 2cna n PRO 20 Cb 0.51 0.00 0.27 0.00 -0.04 0.00 0.00 33.50 34.24 2cna n PRO 20 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2cna n SER 21 N -1.40 2.73 -3.12 3.54 7.64 -1.26 -4.69 113.62 117.05 2cna n SER 21 Ca 0.00 -1.91 -0.17 0.00 1.01 0.00 0.00 58.87 57.81 2cna n SER 21 Cb 0.00 -0.24 -0.05 0.00 -1.01 0.00 0.00 64.21 62.92 2cna n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cna n TYR 22 N 1.01 -1.27 -1.72 1.43 4.11 -1.26 -4.96 117.16 114.50 2cna n TYR 22 Ca 0.18 -2.56 -0.43 0.00 -0.00 0.00 0.00 57.90 55.10 2cna n TYR 22 Cb 0.48 0.48 -0.02 0.00 -0.00 0.00 0.00 39.34 40.28 2cna n TYR 22 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 2cna n PRO 23 N -0.61 2.48 -3.89 -3.48 -0.04 -1.26 -4.69 135.00 123.51 2cna n PRO 23 Ca 0.03 0.88 -0.09 0.00 -0.04 0.00 0.00 63.50 64.28 2cna n PRO 23 Cb 0.61 -2.61 -0.07 0.00 -0.04 0.00 0.00 33.50 31.39 2cna n PRO 23 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2cna s HIS 24 N -0.19 0.23 0.17 0.54 -3.43 -0.66 -3.21 115.29 108.74 2cna s HIS 24 Ca 0.64 -0.62 0.09 0.00 -0.80 0.00 0.00 55.06 54.36 2cna s HIS 24 Cb -0.54 -0.03 -0.04 0.00 -1.43 0.00 0.00 32.58 30.54 2cna s HIS 24 CO 0.51 -0.64 -0.20 0.96 -2.00 0.00 0.00 174.74 173.37 2cna s ILE 25 N -3.91 1.96 0.00 -5.38 -4.36 0.03 -1.74 121.20 107.80 2cna s ILE 25 Ca 0.10 -1.92 0.00 0.00 -0.26 0.00 0.00 60.65 58.57 2cna s ILE 25 Cb 0.04 -1.90 0.00 0.00 1.25 0.00 0.00 42.46 41.85 2cna s ILE 25 CO -0.06 -0.24 0.00 0.61 0.24 0.00 0.00 174.94 175.49 2cna n GLY 26 N 0.34 -0.65 3.75 6.27 0.00 -1.25 -0.04 105.19 113.62 2cna n GLY 26 Ca -0.13 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 2cna n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cna s ILE 27 N -2.00 5.42 -0.20 -0.61 -1.09 -0.88 -3.18 121.20 118.65 2cna s ILE 27 Ca 0.00 0.21 -0.02 0.00 -2.23 0.00 0.00 60.65 58.60 2cna s ILE 27 Cb 0.00 -3.47 -0.00 0.00 -1.58 0.00 0.00 42.46 37.41 2cna s ILE 27 CO 0.00 0.47 -0.08 -1.81 -1.23 0.00 0.00 174.94 172.28 2cna s ASP 28 N 0.14 4.04 -0.28 3.58 -0.00 -0.75 0.29 116.67 123.68 2cna s ASP 28 Ca 0.09 -0.43 0.03 0.00 -0.00 0.00 0.00 52.55 52.25 2cna s ASP 28 Cb -0.11 -1.67 0.07 0.00 -0.00 0.00 0.00 42.92 41.21 2cna s ASP 28 CO -0.01 0.01 -0.06 -0.63 -0.00 0.00 0.00 175.17 174.48 2cna s ILE 29 N 1.29 2.20 0.00 0.77 -1.09 -1.26 -1.71 121.20 121.40 2cna s ILE 29 Ca 0.03 -1.84 0.00 0.00 -2.23 0.00 0.00 60.65 56.62 2cna s ILE 29 Cb -0.14 -2.39 0.00 0.00 -1.58 0.00 0.00 42.46 38.34 2cna s ILE 29 CO -0.04 -0.19 0.00 0.29 -1.23 0.00 0.00 174.94 173.77 2cna n LYS 30 N 4.38 0.00 -4.00 2.79 4.76 -1.09 -4.95 118.16 120.05 2cna n LYS 30 Ca -0.09 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.23 2cna n LYS 30 Cb 0.42 -0.41 -0.03 0.00 -1.84 0.00 0.00 35.03 33.18 2cna n LYS 30 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2cna s SER 31 N -0.40 0.50 0.33 4.39 1.04 -1.26 -4.89 113.70 113.41 2cna s SER 31 Ca 0.00 -1.30 0.02 0.00 0.48 0.00 0.00 55.95 55.15 2cna s SER 31 Cb 0.00 0.70 0.56 0.00 0.10 0.00 0.00 66.02 67.38 2cna s SER 31 CO 0.00 -1.37 1.92 -0.37 0.98 0.00 0.00 173.24 174.40 2cna h VAL 32 N 2.10 1.19 -0.01 5.02 -1.51 -1.89 -3.36 116.25 117.79 2cna h VAL 32 Ca -0.29 -0.57 -0.49 0.00 -1.23 0.00 0.00 66.70 64.13 2cna h VAL 32 Cb 1.24 0.54 0.12 0.00 -2.13 0.00 0.00 31.29 31.07 2cna h VAL 32 CO 0.38 0.23 1.18 0.54 -1.23 0.00 0.00 177.57 178.67 2cna n ARG 33 N -4.35 0.01 -1.47 5.19 5.12 -1.26 -4.87 116.66 115.03 2cna n ARG 33 Ca 0.04 -0.96 -0.47 0.00 -1.93 0.00 0.00 57.85 54.53 2cna n ARG 33 Cb 0.15 -2.48 -0.02 0.00 -1.16 0.00 0.00 32.46 28.94 2cna n ARG 33 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2cna n SER 34 N 9.41 -0.38 0.08 0.55 7.64 -1.26 -4.70 113.62 124.96 2cna n SER 34 Ca 0.42 1.15 -0.11 0.00 1.01 0.00 0.00 58.87 61.33 2cna n SER 34 Cb 0.41 -1.07 -0.12 0.00 -1.01 0.00 0.00 64.21 62.42 2cna n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2cna h LYS 35 N 1.34 0.14 -5.23 1.43 1.79 0.39 -3.46 116.57 112.96 2cna h LYS 35 Ca -0.32 -0.23 -0.41 0.00 -2.18 0.00 0.00 60.65 57.51 2cna h LYS 35 Cb 1.41 0.08 -0.23 0.00 -1.58 0.00 0.00 32.23 31.91 2cna h LYS 35 CO 0.58 1.10 -0.78 0.21 -1.08 0.00 0.00 179.45 179.48 2cna s LYS 36 N -2.72 0.83 0.18 3.15 2.20 -1.23 -4.96 119.74 117.18 2cna s LYS 36 Ca -0.02 -0.83 0.02 0.00 -0.36 0.00 0.00 55.97 54.78 2cna s LYS 36 Cb 0.09 -0.81 -0.05 0.00 -1.51 0.00 0.00 37.83 35.55 2cna s LYS 36 CO 0.85 0.19 0.01 0.95 -0.36 0.00 0.00 175.35 176.99 2cna s THR 37 N -1.07 0.65 -0.06 3.43 -4.23 -1.26 -2.08 115.64 111.01 2cna s THR 37 Ca -0.01 -1.98 -0.29 0.00 -1.18 0.00 0.00 61.69 58.23 2cna s THR 37 Cb -0.09 -2.16 0.10 0.00 1.34 0.00 0.00 72.50 71.69 2cna s THR 37 CO 0.02 -0.43 0.86 0.00 -0.54 0.00 0.00 174.62 174.52 2cna s ALA 38 N -3.68 -1.83 -0.35 3.99 0.00 0.95 -4.92 121.76 115.92 2cna s ALA 38 Ca 0.25 1.26 -0.14 0.00 0.00 0.00 0.00 51.96 53.34 2cna s ALA 38 Cb 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 2cna s ALA 38 CO 0.05 -0.47 0.28 0.21 0.00 0.00 0.00 175.76 175.82 2cna s LYS 39 N -1.94 3.44 -0.09 0.00 2.20 -1.26 -0.79 119.74 121.30 2cna s LYS 39 Ca -0.02 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 54.95 2cna s LYS 39 Cb -0.01 -3.83 -0.03 0.00 -1.51 0.00 0.00 37.83 32.46 2cna s LYS 39 CO -0.01 -0.50 -0.07 -0.46 -0.36 0.00 0.00 175.35 173.95 2cna s TRP 40 N 1.78 2.94 -1.19 4.03 -0.00 -1.20 -4.88 118.94 120.43 2cna s TRP 40 Ca 0.07 -0.07 -0.20 0.00 -0.00 0.00 0.00 56.10 55.90 2cna s TRP 40 Cb -0.17 -1.76 0.06 0.00 -0.00 0.00 0.00 33.47 31.60 2cna s TRP 40 CO 0.11 0.24 1.63 -0.80 -0.00 0.00 0.00 176.95 178.13 2cna s ASN 41 N -0.55 6.68 0.17 5.86 -0.87 -1.26 -4.69 114.94 120.29 2cna s ASN 41 Ca 0.08 -2.05 -0.29 0.00 -1.57 0.00 0.00 52.86 49.03 2cna s ASN 41 Cb -0.12 -2.58 -0.17 0.00 -0.02 0.00 0.00 41.25 38.36 2cna s ASN 41 CO 0.02 -1.33 0.58 0.23 -2.57 0.00 0.00 177.10 174.03 2cna n MET 42 N 8.59 0.00 -3.61 -0.60 2.81 -1.26 -4.96 117.12 118.08 2cna n MET 42 Ca 0.43 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 56.03 2cna n MET 42 Cb 0.48 -1.05 -0.12 0.00 -0.71 0.00 0.00 33.22 31.82 2cna n MET 42 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2cna s GLN 43 N -0.86 1.11 0.26 0.03 -0.21 -1.26 -5.11 119.66 113.62 2cna s GLN 43 Ca 0.66 -1.92 -0.31 0.00 0.02 0.00 0.00 55.36 53.82 2cna s GLN 43 Cb -0.96 -2.00 -0.12 0.00 1.00 0.00 0.00 33.01 30.93 2cna s GLN 43 CO 0.55 -1.21 1.66 -3.47 -2.12 0.00 0.00 175.29 170.71 2cna n ASP 44 N 3.49 3.98 0.00 5.90 4.64 -1.26 -1.74 116.55 131.56 2cna n ASP 44 Ca 0.13 1.11 0.00 0.00 -1.38 0.00 0.00 54.79 54.65 2cna n ASP 44 Cb 0.37 -1.59 0.00 0.00 -1.04 0.00 0.00 41.12 38.86 2cna n ASP 44 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2cna n GLY 45 N 2.98 0.57 3.86 0.27 0.00 -0.48 -4.93 105.19 107.45 2cna n GLY 45 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 2cna n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cna s LYS 46 N -0.33 3.10 -0.04 1.61 3.01 -0.71 -5.01 119.74 121.37 2cna s LYS 46 Ca 0.00 -0.85 -0.29 0.00 -1.01 0.00 0.00 55.97 53.82 2cna s LYS 46 Cb 0.00 -2.72 -0.03 0.00 -1.01 0.00 0.00 37.83 34.07 2cna s LYS 46 CO 0.00 0.46 0.94 0.08 0.51 0.00 0.00 175.35 177.34 2cna s VAL 47 N -1.89 4.88 0.44 3.17 1.01 -1.26 -4.34 120.40 122.41 2cna s VAL 47 Ca 0.33 1.95 0.04 0.00 0.00 0.00 0.00 61.98 64.29 2cna s VAL 47 Cb -0.09 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 2cna s VAL 47 CO 0.26 0.14 0.02 -0.83 0.00 0.00 0.00 175.10 174.69 2cna s GLY 48 N 1.00 2.68 -0.28 4.51 0.00 -0.25 -4.39 107.32 110.59 2cna s GLY 48 Ca 0.49 -1.40 -0.08 0.00 0.00 0.00 0.00 44.72 43.72 2cna s GLY 48 CO 0.24 -2.08 0.58 -1.59 0.00 0.00 0.00 173.10 170.25 2cna s THR 49 N -2.90 -0.91 0.19 0.90 2.01 -1.11 -0.70 115.64 113.12 2cna s THR 49 Ca 0.22 0.03 -0.01 0.00 0.31 0.00 0.00 61.69 62.25 2cna s THR 49 Cb 0.06 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.60 2cna s THR 49 CO 0.11 0.01 0.37 0.00 -0.69 0.00 0.00 174.62 174.42 2cna s ALA 50 N 2.82 3.85 0.03 7.40 0.00 0.70 -1.86 121.76 134.70 2cna s ALA 50 Ca -0.01 -0.83 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 2cna s ALA 50 Cb -0.13 -1.98 -0.02 0.00 0.00 0.00 0.00 23.12 20.99 2cna s ALA 50 CO -0.18 0.48 -0.02 -1.01 0.00 0.00 0.00 175.76 175.03 2cna s HIS 51 N -1.82 0.32 -0.30 0.00 3.76 -0.21 0.50 115.29 117.53 2cna s HIS 51 Ca 0.38 -0.65 -0.11 0.00 -0.15 0.00 0.00 55.06 54.53 2cna s HIS 51 Cb -0.11 -0.23 0.14 0.00 1.11 0.00 0.00 32.58 33.49 2cna s HIS 51 CO 0.29 -0.24 0.74 0.42 -0.85 0.00 0.00 174.74 175.09 2cna s ILE 52 N -2.06 -0.87 0.18 0.60 1.01 0.43 -1.65 121.20 118.83 2cna s ILE 52 Ca -0.10 0.00 0.06 0.00 0.00 0.00 0.00 60.65 60.60 2cna s ILE 52 Cb -0.06 -1.00 -0.05 0.00 0.01 0.00 0.00 42.46 41.37 2cna s ILE 52 CO -0.03 0.00 -0.12 0.27 0.00 0.00 0.00 174.94 175.06 2cna s ILE 53 N 2.78 1.41 -0.01 2.92 -4.36 -0.80 -2.45 121.20 120.70 2cna s ILE 53 Ca -0.05 -2.12 -0.30 0.00 -0.26 0.00 0.00 60.65 57.92 2cna s ILE 53 Cb -0.10 -1.95 0.12 0.00 1.25 0.00 0.00 42.46 41.77 2cna s ILE 53 CO -0.19 -0.67 1.28 -0.47 0.24 0.00 0.00 174.94 175.14 2cna s TYR 54 N -3.18 -0.03 -0.22 1.37 5.04 -1.11 -2.43 117.35 116.79 2cna s TYR 54 Ca 0.20 -0.08 -0.36 0.00 -2.44 0.00 0.00 57.07 54.39 2cna s TYR 54 Cb 0.01 0.55 0.14 0.00 0.35 0.00 0.00 41.96 43.02 2cna s TYR 54 CO 0.04 -0.29 1.26 0.54 -1.34 0.00 0.00 175.55 175.76 2cna s ASN 55 N -3.10 -0.10 0.12 4.32 4.22 -1.26 -2.00 114.94 117.14 2cna s ASN 55 Ca 0.16 0.00 -0.19 0.00 -2.14 0.00 0.00 52.86 50.69 2cna s ASN 55 Cb 0.04 0.10 -0.06 0.00 1.28 0.00 0.00 41.25 42.61 2cna s ASN 55 CO -0.03 -0.17 1.73 0.28 -2.04 0.00 0.00 177.10 176.87 2cna h SER 56 N 2.00 0.28 -0.16 3.54 0.02 -1.94 6.10 113.55 123.39 2cna h SER 56 Ca -0.07 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 2cna h SER 56 Cb 1.15 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 2cna h SER 56 CO 0.22 0.26 -0.10 0.58 -1.14 0.00 0.00 176.83 176.64 2cna h VAL 57 N 0.27 0.00 0.05 2.27 2.07 -1.84 -2.82 116.25 116.24 2cna h VAL 57 Ca 0.08 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.36 2cna h VAL 57 Cb 0.04 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.79 2cna h VAL 57 CO -0.01 0.00 -1.16 0.44 0.02 0.00 0.00 177.57 176.86 2cna h ASP 58 N -0.01 0.16 -6.41 0.57 3.32 -1.94 -3.49 116.42 108.62 2cna h ASP 58 Ca 0.03 -0.18 -0.48 0.00 0.02 0.00 0.00 57.03 56.41 2cna h ASP 58 Cb 0.08 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 2cna h ASP 58 CO -0.16 1.15 -0.86 0.29 -1.72 0.00 0.00 179.24 177.94 2cna n LYS 59 N -3.40 -3.83 -3.94 3.56 5.02 1.98 -4.96 118.16 112.58 2cna n LYS 59 Ca -0.05 0.47 -0.31 0.00 -2.02 0.00 0.00 58.31 56.40 2cna n LYS 59 Cb 0.98 -4.80 -0.15 0.00 -0.02 0.00 0.00 35.03 31.04 2cna n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2cna s ARG 60 N -6.45 1.52 -0.41 1.97 3.52 -1.26 -2.62 118.95 115.22 2cna s ARG 60 Ca 0.11 -1.24 -0.27 0.00 -0.13 0.00 0.00 55.73 54.20 2cna s ARG 60 Cb -0.06 -2.67 -0.03 0.00 -1.56 0.00 0.00 34.95 30.63 2cna s ARG 60 CO 0.87 -0.73 1.97 -1.17 -0.81 0.00 0.00 175.30 175.43 2cna s LEU 61 N 1.28 3.42 0.02 -0.88 2.96 0.22 -4.56 118.68 121.14 2cna s LEU 61 Ca -0.00 1.10 0.08 0.00 -0.22 0.00 0.00 54.13 55.09 2cna s LEU 61 Cb -0.19 -3.09 -0.03 0.00 0.50 0.00 0.00 46.19 43.38 2cna s LEU 61 CO -0.09 -2.11 -0.25 -0.44 -1.32 0.00 0.00 176.35 172.14 2cna s SER 62 N 7.92 3.24 0.06 3.68 0.01 -1.02 0.27 113.70 127.85 2cna s SER 62 Ca 0.82 -0.52 0.03 0.00 1.31 0.00 0.00 55.95 57.60 2cna s SER 62 Cb -0.20 -0.37 -0.03 0.00 0.21 0.00 0.00 66.02 65.63 2cna s SER 62 CO 0.29 0.28 -0.09 0.00 0.41 0.00 0.00 173.24 174.13 2cna s ALA 63 N -0.75 0.77 -0.19 1.44 0.00 0.76 -1.90 121.76 121.89 2cna s ALA 63 Ca 0.11 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 51.12 2cna s ALA 63 Cb -0.10 0.03 0.07 0.00 0.00 0.00 0.00 23.12 23.11 2cna s ALA 63 CO 0.01 -0.01 0.10 0.08 0.00 0.00 0.00 175.76 175.94 2cna s VAL 64 N -1.69 -0.08 -0.41 0.00 1.01 -0.66 -1.95 120.40 116.62 2cna s VAL 64 Ca -0.05 -0.26 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 2cna s VAL 64 Cb -0.08 -0.64 0.05 0.00 0.00 0.00 0.00 36.38 35.72 2cna s VAL 64 CO 0.00 -0.35 0.26 -0.69 0.00 0.00 0.00 175.10 174.32 2cna s VAL 65 N 2.13 4.61 0.32 2.92 1.01 0.08 -1.05 120.40 130.43 2cna s VAL 65 Ca 0.03 -1.07 0.07 0.00 0.00 0.00 0.00 61.98 61.01 2cna s VAL 65 Cb -0.16 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 2cna s VAL 65 CO -0.13 -0.39 0.30 -0.94 0.00 0.00 0.00 175.10 173.94 2cna s SER 66 N 1.93 5.47 -0.02 3.32 1.04 -0.78 -2.83 113.70 121.84 2cna s SER 66 Ca 0.03 -0.38 -0.03 0.00 0.48 0.00 0.00 55.95 56.05 2cna s SER 66 Cb -0.21 -1.13 0.00 0.00 0.10 0.00 0.00 66.02 64.78 2cna s SER 66 CO 0.05 -0.29 0.06 -0.31 0.98 0.00 0.00 173.24 173.73 2cna s TYR 67 N -2.24 -0.01 0.08 5.02 1.51 -1.26 -2.77 117.35 117.68 2cna s TYR 67 Ca 0.40 0.03 -0.31 0.00 -1.01 0.00 0.00 57.07 56.18 2cna s TYR 67 Cb -0.07 -0.02 -0.08 0.00 -0.11 0.00 0.00 41.96 41.68 2cna s TYR 67 CO 0.27 -0.10 1.56 -1.25 -1.11 0.00 0.00 175.55 174.92 2cna s PRO 68 N -0.40 4.23 0.00 -1.71 0.04 -1.26 -2.13 135.00 133.77 2cna s PRO 68 Ca -0.05 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.23 2cna s PRO 68 Cb -0.03 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 31.05 2cna s PRO 68 CO 0.00 -0.64 0.00 0.09 0.04 0.00 0.00 177.00 176.49 2cna n ASN 69 N 5.01 0.00 -4.87 6.66 3.02 -1.26 -4.95 115.26 118.88 2cna n ASN 69 Ca 0.14 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.38 2cna n ASN 69 Cb 0.41 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.58 2cna n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2cna s ALA 70 N -0.30 3.12 0.36 5.41 0.00 -0.90 -5.06 121.76 124.39 2cna s ALA 70 Ca 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 51.96 51.74 2cna s ALA 70 Cb 0.00 -3.05 -0.09 0.00 0.00 0.00 0.00 23.12 19.98 2cna s ALA 70 CO 0.00 -0.56 0.79 -0.51 0.00 0.00 0.00 175.76 175.47 2cna s ASP 71 N -3.93 6.76 0.35 0.00 -0.00 -1.26 -4.36 116.67 114.23 2cna s ASP 71 Ca 0.55 1.34 -0.28 0.00 -0.00 0.00 0.00 52.55 54.16 2cna s ASP 71 Cb -0.11 -2.40 -0.10 0.00 -0.00 0.00 0.00 42.92 40.32 2cna s ASP 71 CO 0.48 -0.27 1.31 0.00 -0.00 0.00 0.00 175.17 176.69 2cna s ALA 72 N -2.09 3.44 -0.16 5.23 0.00 -1.26 -4.65 121.76 122.27 2cna s ALA 72 Ca 0.55 1.25 0.01 0.00 0.00 0.00 0.00 51.96 53.78 2cna s ALA 72 Cb -0.10 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.56 2cna s ALA 72 CO 0.19 -0.69 -0.18 0.95 0.00 0.00 0.00 175.76 176.03 2cna s THR 73 N -1.18 1.86 0.17 0.00 -4.23 -1.13 -5.02 115.64 106.12 2cna s THR 73 Ca 0.51 -0.83 0.04 0.00 -1.18 0.00 0.00 61.69 60.24 2cna s THR 73 Cb -0.39 -1.69 -0.05 0.00 1.34 0.00 0.00 72.50 71.71 2cna s THR 73 CO 0.52 0.51 -0.06 -0.94 -0.54 0.00 0.00 174.62 174.10 2cna s SER 74 N 1.25 1.78 -0.05 3.99 1.04 -1.26 -0.74 113.70 119.71 2cna s SER 74 Ca 0.02 -1.09 -0.19 0.00 0.48 0.00 0.00 55.95 55.17 2cna s SER 74 Cb -0.13 0.00 0.04 0.00 0.10 0.00 0.00 66.02 66.03 2cna s SER 74 CO -0.10 -0.40 0.43 0.54 0.98 0.00 0.00 173.24 174.69 2cna s VAL 75 N -3.37 0.03 -0.07 5.02 0.11 -0.82 -4.82 120.40 116.47 2cna s VAL 75 Ca 0.21 -0.28 -0.03 0.00 -2.93 0.00 0.00 61.98 58.95 2cna s VAL 75 Cb 0.04 -0.72 0.04 0.00 -1.53 0.00 0.00 36.38 34.21 2cna s VAL 75 CO 0.03 -0.15 0.15 -0.44 -3.33 0.00 0.00 175.10 171.36 2cna s SER 76 N -1.03 0.00 -0.02 3.54 0.01 -1.26 -0.17 113.70 114.77 2cna s SER 76 Ca -0.11 0.31 0.05 0.00 1.31 0.00 0.00 55.95 57.52 2cna s SER 76 Cb -0.04 0.21 -0.01 0.00 0.21 0.00 0.00 66.02 66.39 2cna s SER 76 CO 0.05 -0.16 -0.18 -0.47 0.41 0.00 0.00 173.24 172.89 2cna s TYR 77 N 1.34 1.68 -0.32 2.43 6.14 0.14 -4.97 117.35 123.79 2cna s TYR 77 Ca -0.07 -0.36 -0.21 0.00 0.64 0.00 0.00 57.07 57.07 2cna s TYR 77 Cb -0.12 -1.09 -0.00 0.00 0.42 0.00 0.00 41.96 41.17 2cna s TYR 77 CO -0.06 -0.06 0.65 -0.51 0.64 0.00 0.00 175.55 176.21 2cna s ASP 78 N -0.33 6.49 0.05 4.32 -0.00 -1.26 0.69 116.67 126.63 2cna s ASP 78 Ca 0.05 0.35 -0.15 0.00 -0.00 0.00 0.00 52.55 52.80 2cna s ASP 78 Cb -0.08 -2.34 0.03 0.00 -0.00 0.00 0.00 42.92 40.53 2cna s ASP 78 CO -0.00 -0.54 0.34 0.54 -0.00 0.00 0.00 175.17 175.52 2cna s VAL 79 N 2.69 0.07 -0.75 -1.27 0.11 -1.08 -4.97 120.40 115.20 2cna s VAL 79 Ca 0.26 -0.61 -0.11 0.00 -2.93 0.00 0.00 61.98 58.58 2cna s VAL 79 Cb -0.15 -0.96 0.20 0.00 -1.53 0.00 0.00 36.38 33.94 2cna s VAL 79 CO 0.13 -0.34 0.66 -1.81 -3.33 0.00 0.00 175.10 170.41 2cna s ASP 80 N -2.10 6.32 0.42 3.54 -0.00 -1.26 -4.56 116.67 119.03 2cna s ASP 80 Ca -0.04 -2.68 0.10 0.00 -0.00 0.00 0.00 52.55 49.93 2cna s ASP 80 Cb -0.01 -2.11 0.91 0.00 -0.00 0.00 0.00 42.92 41.71 2cna s ASP 80 CO -0.04 -0.53 2.01 -0.07 -0.00 0.00 0.00 175.17 176.53 2cna h LEU 81 N 7.65 0.24 -0.53 1.23 4.07 -1.97 0.17 115.31 126.17 2cna h LEU 81 Ca 0.05 -0.03 0.10 0.00 0.08 0.00 0.00 57.88 58.09 2cna h LEU 81 Cb 1.02 -0.06 -0.09 0.00 1.08 0.00 0.00 40.66 42.61 2cna h LEU 81 CO 0.76 0.29 -0.01 0.78 -1.08 0.00 0.00 178.44 179.17 2cna h ASN 82 N 0.26 -0.25 1.18 -0.43 -0.26 -1.89 0.39 115.58 114.58 2cna h ASN 82 Ca 0.06 0.13 -0.04 0.00 -0.56 0.00 0.00 56.30 55.89 2cna h ASN 82 Cb 0.18 0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.66 2cna h ASN 82 CO 0.00 -0.09 -0.21 0.44 -1.06 0.00 0.00 177.43 176.52 2cna h ASP 83 N 0.11 0.00 0.00 5.81 3.32 -1.13 -3.39 116.42 121.13 2cna h ASP 83 Ca 0.27 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.87 2cna h ASP 83 Cb 0.41 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.90 2cna h ASP 83 CO -0.45 0.21 -2.47 0.52 -1.72 0.00 0.00 179.24 175.33 2cna n VAL 84 N -3.28 1.53 -2.25 -1.35 0.31 0.50 -5.03 118.33 108.76 2cna n VAL 84 Ca 0.01 -0.36 -0.32 0.00 -0.01 0.00 0.00 64.34 63.66 2cna n VAL 84 Cb 0.47 -1.89 -0.02 0.00 -0.91 0.00 0.00 33.84 31.49 2cna n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2cna s LEU 85 N -7.54 3.54 0.42 7.52 1.43 0.11 -4.99 118.68 119.17 2cna s LEU 85 Ca -0.38 1.58 -0.24 0.00 -1.03 0.00 0.00 54.13 54.06 2cna s LEU 85 Cb 0.14 -4.51 -0.08 0.00 0.03 0.00 0.00 46.19 41.78 2cna s LEU 85 CO 0.50 -0.73 1.15 -2.16 0.23 0.00 0.00 176.35 175.33 2cna s PRO 86 N -4.25 3.95 0.51 1.29 0.04 -1.26 -4.83 135.00 130.45 2cna s PRO 86 Ca 0.59 1.76 0.36 0.00 0.04 0.00 0.00 61.00 63.75 2cna s PRO 86 Cb -0.11 -2.54 1.51 0.00 0.04 0.00 0.00 34.50 33.40 2cna s PRO 86 CO 0.36 -0.38 1.72 1.49 0.04 0.00 0.00 177.00 180.23 2cna h GLU 87 N 2.37 0.07 -4.84 4.56 4.81 -1.92 -3.32 114.58 116.31 2cna h GLU 87 Ca -0.49 -0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.11 2cna h GLU 87 Cb 1.24 -0.02 -0.35 0.00 0.63 0.00 0.00 28.75 30.25 2cna h GLU 87 CO 0.61 0.05 -0.84 -1.58 -0.73 0.00 0.00 179.01 176.52 2cna s TRP 88 N -5.06 2.34 0.49 0.92 0.52 -1.26 -1.95 118.94 114.92 2cna s TRP 88 Ca -0.06 -1.28 0.02 0.00 0.02 0.00 0.00 56.10 54.80 2cna s TRP 88 Cb 0.25 -1.66 0.02 0.00 -1.15 0.00 0.00 33.47 30.92 2cna s TRP 88 CO 0.83 -0.66 0.13 1.55 0.02 0.00 0.00 176.95 178.82 2cna n VAL 89 N 4.53 0.00 -4.18 4.03 3.14 0.20 -4.48 118.33 121.57 2cna n VAL 89 Ca -0.19 -2.17 -0.17 0.00 -2.96 0.00 0.00 64.34 58.85 2cna n VAL 89 Cb 0.50 0.27 -0.12 0.00 -1.06 0.00 0.00 33.84 33.44 2cna n VAL 89 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 2cna s ARG 90 N -3.85 0.73 -0.17 1.45 3.52 -0.64 0.15 118.95 120.14 2cna s ARG 90 Ca 0.10 -0.78 0.00 0.00 -0.13 0.00 0.00 55.73 54.92 2cna s ARG 90 Cb -0.01 -0.66 0.01 0.00 -1.56 0.00 0.00 34.95 32.73 2cna s ARG 90 CO 0.06 0.15 -0.16 0.08 -0.81 0.00 0.00 175.30 174.62 2cna s VAL 91 N -1.11 2.46 0.00 7.11 1.01 -1.26 -3.27 120.40 125.35 2cna s VAL 91 Ca -0.03 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2cna s VAL 91 Cb -0.09 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.25 2cna s VAL 91 CO 0.01 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.24 2cna n GLY 92 N 4.36 3.88 3.04 4.51 0.00 -1.24 0.70 105.19 120.44 2cna n GLY 92 Ca -0.20 -1.61 -0.22 0.00 0.00 0.00 0.00 46.02 43.99 2cna n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cna s LEU 93 N 0.00 1.80 0.09 0.99 1.43 1.28 -3.85 118.68 120.41 2cna s LEU 93 Ca 0.00 -0.24 0.05 0.00 -1.03 0.00 0.00 54.13 52.91 2cna s LEU 93 Cb 0.00 -0.69 -0.03 0.00 0.03 0.00 0.00 46.19 45.50 2cna s LEU 93 CO 0.00 0.09 -0.14 -0.55 0.23 0.00 0.00 176.35 175.97 2cna s SER 94 N 0.20 1.77 0.06 2.29 0.15 -0.72 -0.53 113.70 116.92 2cna s SER 94 Ca -0.04 -0.67 -0.21 0.00 0.70 0.00 0.00 55.95 55.72 2cna s SER 94 Cb -0.10 -0.05 0.05 0.00 -1.71 0.00 0.00 66.02 64.20 2cna s SER 94 CO 0.01 -0.10 0.50 0.00 1.20 0.00 0.00 173.24 174.85 2cna s ALA 95 N -1.52 -1.25 0.03 5.45 0.00 -1.24 -0.96 121.76 122.27 2cna s ALA 95 Ca 0.01 0.47 -0.02 0.00 0.00 0.00 0.00 51.96 52.43 2cna s ALA 95 Cb -0.08 0.45 -0.02 0.00 0.00 0.00 0.00 23.12 23.46 2cna s ALA 95 CO 0.02 -0.53 0.00 0.45 0.00 0.00 0.00 175.76 175.71 2cna s SER 96 N -2.12 0.29 0.07 0.00 0.15 -0.66 -4.14 113.70 107.29 2cna s SER 96 Ca -0.04 -0.65 -0.08 0.00 0.70 0.00 0.00 55.95 55.88 2cna s SER 96 Cb -0.00 0.16 -0.01 0.00 -1.71 0.00 0.00 66.02 64.46 2cna s SER 96 CO -0.04 -0.44 0.16 -0.89 1.20 0.00 0.00 173.24 173.23 2cna s THR 97 N -2.47 0.15 0.00 6.45 2.01 -0.77 -3.19 115.64 117.80 2cna s THR 97 Ca -0.06 -1.20 0.00 0.00 0.31 0.00 0.00 61.69 60.74 2cna s THR 97 Cb -0.02 -1.26 0.00 0.00 0.01 0.00 0.00 72.50 71.22 2cna s THR 97 CO -0.04 -0.66 0.00 0.61 -0.69 0.00 0.00 174.62 173.83 2cna n GLY 98 N 0.13 -1.62 0.06 4.40 0.00 -1.26 -1.93 105.19 104.97 2cna n GLY 98 Ca -0.16 0.43 -0.08 0.00 0.00 0.00 0.00 46.02 46.21 2cna n GLY 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cna n LEU 99 N -1.74 2.23 -4.82 0.99 4.77 -1.26 -1.22 117.00 115.95 2cna n LEU 99 Ca 0.00 -0.05 -0.36 0.00 -0.03 0.00 0.00 56.01 55.56 2cna n LEU 99 Cb 0.00 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.74 2cna n LEU 99 CO 0.00 0.61 0.31 -0.31 -1.33 0.00 0.00 177.39 176.67 2cna s TYR 100 N -2.27 3.68 0.21 -1.77 4.12 -1.26 -4.86 117.35 115.19 2cna s TYR 100 Ca -0.15 1.24 -0.03 0.00 0.02 0.00 0.00 57.07 58.15 2cna s TYR 100 Cb 0.04 -2.49 -0.05 0.00 -1.52 0.00 0.00 41.96 37.94 2cna s TYR 100 CO 0.34 0.44 0.44 0.15 0.02 0.00 0.00 175.55 176.93 2cna s LYS 101 N -1.75 3.59 0.00 -0.62 1.02 -1.26 -3.68 119.74 117.03 2cna s LYS 101 Ca 0.37 -0.16 0.00 0.00 0.02 0.00 0.00 55.97 56.21 2cna s LYS 101 Cb -0.17 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 2cna s LYS 101 CO 0.20 0.37 0.00 -1.91 -0.92 0.00 0.00 175.35 173.09 2cna n GLU 102 N -0.51 0.00 -4.02 1.68 2.13 -1.26 0.27 120.64 118.93 2cna n GLU 102 Ca -0.03 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.48 2cna n GLU 102 Cb 0.53 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.18 2cna n GLU 102 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2cna s THR 103 N -2.00 4.84 -0.41 6.31 2.01 -0.01 -4.62 115.64 121.77 2cna s THR 103 Ca 0.00 -0.57 0.07 0.00 0.31 0.00 0.00 61.69 61.50 2cna s THR 103 Cb 0.00 -3.32 0.22 0.00 0.01 0.00 0.00 72.50 69.42 2cna s THR 103 CO 0.00 0.18 0.47 0.59 -0.69 0.00 0.00 174.62 175.17 2cna n ASN 104 N 0.57 0.15 -4.71 3.53 3.02 -1.25 -3.34 115.26 113.22 2cna n ASN 104 Ca -0.08 -2.63 -0.35 0.00 -0.03 0.00 0.00 54.58 51.48 2cna n ASN 104 Cb 0.52 -0.62 -0.09 0.00 -0.61 0.00 0.00 39.78 38.98 2cna n ASN 104 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2cna s THR 105 N -0.86 4.55 -0.15 3.41 -1.32 -0.85 -1.19 115.64 119.22 2cna s THR 105 Ca 0.34 -0.16 -0.04 0.00 -1.21 0.00 0.00 61.69 60.63 2cna s THR 105 Cb 0.13 -2.93 -0.03 0.00 -1.51 0.00 0.00 72.50 68.15 2cna s THR 105 CO -0.13 0.60 -0.01 -0.63 -2.21 0.00 0.00 174.62 172.24 2cna s ILE 106 N -0.84 4.15 -0.16 5.08 1.01 0.36 0.47 121.20 131.27 2cna s ILE 106 Ca 0.13 -0.27 -0.13 0.00 0.00 0.00 0.00 60.65 60.38 2cna s ILE 106 Cb -0.12 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.49 2cna s ILE 106 CO 0.03 0.50 -0.23 0.18 0.00 0.00 0.00 174.94 175.41 2cna n LEU 107 N 3.35 1.86 -4.36 2.97 4.77 -1.16 -2.33 117.00 122.10 2cna n LEU 107 Ca -0.17 0.52 -0.24 0.00 -0.03 0.00 0.00 56.01 56.09 2cna n LEU 107 Cb 0.53 -0.83 -0.11 0.00 -2.33 0.00 0.00 43.42 40.67 2cna n LEU 107 CO 0.33 -0.37 -0.50 -0.55 -1.33 0.00 0.00 177.39 174.97 2cna s SER 108 N -5.85 2.93 -0.13 -1.43 0.15 -1.25 -3.59 113.70 104.53 2cna s SER 108 Ca -0.20 -0.86 -0.06 0.00 0.70 0.00 0.00 55.95 55.53 2cna s SER 108 Cb 0.03 -0.19 0.06 0.00 -1.71 0.00 0.00 66.02 64.21 2cna s SER 108 CO 0.31 0.02 0.29 0.86 1.20 0.00 0.00 173.24 175.91 2cna s TRP 109 N -1.89 -0.43 -0.03 3.44 -0.00 0.32 -2.44 118.94 117.90 2cna s TRP 109 Ca 0.17 0.97 0.02 0.00 -0.00 0.00 0.00 56.10 57.26 2cna s TRP 109 Cb -0.07 0.07 0.01 0.00 -0.00 0.00 0.00 33.47 33.49 2cna s TRP 109 CO 0.08 -0.30 -0.07 -1.54 -0.00 0.00 0.00 176.95 175.11 2cna s SER 110 N 1.73 1.07 -0.08 5.86 1.04 -0.88 0.20 113.70 122.64 2cna s SER 110 Ca -0.06 -0.16 -0.00 0.00 0.48 0.00 0.00 55.95 56.21 2cna s SER 110 Cb -0.11 -0.38 0.03 0.00 0.10 0.00 0.00 66.02 65.66 2cna s SER 110 CO -0.09 0.02 -0.04 0.12 0.98 0.00 0.00 173.24 174.22 2cna s PHE 111 N 0.47 1.03 -0.04 5.02 5.36 -0.21 -2.38 117.98 127.22 2cna s PHE 111 Ca -0.07 -0.41 0.05 0.00 -0.96 0.00 0.00 56.93 55.55 2cna s PHE 111 Cb -0.11 -0.96 -0.01 0.00 -0.34 0.00 0.00 43.02 41.60 2cna s PHE 111 CO 0.01 -0.38 -0.20 0.99 -1.46 0.00 0.00 175.22 174.17 2cna s THR 112 N 1.67 1.66 -0.30 0.12 2.01 0.34 -1.22 115.64 119.92 2cna s THR 112 Ca 0.02 -0.86 -0.11 0.00 0.31 0.00 0.00 61.69 61.04 2cna s THR 112 Cb -0.13 -1.41 0.13 0.00 0.01 0.00 0.00 72.50 71.11 2cna s THR 112 CO -0.05 0.47 0.72 -0.94 -0.69 0.00 0.00 174.62 174.12 2cna s SER 113 N -0.16 -1.03 0.15 3.53 1.04 -0.60 0.11 113.70 116.74 2cna s SER 113 Ca -0.01 1.43 0.06 0.00 0.48 0.00 0.00 55.95 57.91 2cna s SER 113 Cb -0.11 2.11 -0.04 0.00 0.10 0.00 0.00 66.02 68.07 2cna s SER 113 CO 0.02 -0.20 -0.13 -1.59 0.98 0.00 0.00 173.24 172.32 2cna s LYS 114 N 2.70 1.10 -0.22 4.02 -2.85 -0.49 0.02 119.74 124.00 2cna s LYS 114 Ca -0.06 -1.38 0.01 0.00 -1.00 0.00 0.00 55.97 53.54 2cna s LYS 114 Cb -0.10 -0.86 0.06 0.00 -2.06 0.00 0.00 37.83 34.87 2cna s LYS 114 CO -0.19 0.14 -0.06 -0.51 0.10 0.00 0.00 175.35 174.84 2cna s LEU 115 N -2.86 2.42 -0.25 2.77 1.43 0.56 -1.57 118.68 121.18 2cna s LEU 115 Ca 0.14 -1.09 -0.25 0.00 -1.03 0.00 0.00 54.13 51.89 2cna s LEU 115 Cb -0.02 -1.15 -0.00 0.00 0.03 0.00 0.00 46.19 45.06 2cna s LEU 115 CO 0.03 -0.22 0.88 -0.54 0.23 0.00 0.00 176.35 176.72 2cna s LYS 116 N 1.43 4.18 0.16 1.70 1.02 -0.35 -1.45 119.74 126.42 2cna s LYS 116 Ca -0.05 1.01 0.02 0.00 0.02 0.00 0.00 55.97 56.98 2cna s LYS 116 Cb -0.18 -3.65 0.03 0.00 -0.52 0.00 0.00 37.83 33.50 2cna s LYS 116 CO -0.07 -0.56 0.21 0.45 -0.92 0.00 0.00 175.35 174.47 2cna n SER 117 N 6.11 0.55 0.06 2.83 2.88 -1.26 -2.17 113.62 122.62 2cna n SER 117 Ca 0.07 -1.40 -0.23 0.00 -1.33 0.00 0.00 58.87 55.98 2cna n SER 117 Cb 0.47 -0.11 -0.15 0.00 -0.75 0.00 0.00 64.21 63.67 2cna n SER 117 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2cna h ASN 118 N 0.02 0.58 -0.37 -3.46 -0.26 -1.82 -3.41 115.58 106.86 2cna h ASN 118 Ca -0.07 -0.93 0.03 0.00 -0.56 0.00 0.00 56.30 54.77 2cna h ASN 118 Cb 0.33 -0.19 -0.04 0.00 -1.06 0.00 0.00 38.32 37.36 2cna h ASN 118 CO 0.10 1.76 -0.22 -1.20 -1.06 0.00 0.00 177.43 176.82 2cna n SER 119 N -3.65 -0.39 0.00 5.81 7.64 -1.26 -4.80 113.62 116.96 2cna n SER 119 Ca -0.25 0.82 0.00 0.00 1.01 0.00 0.00 58.87 60.45 2cna n SER 119 Cb 1.04 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 64.08 2cna n SER 119 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2cna n THR 120 N -4.01 0.00 -3.61 0.44 -1.04 -1.26 -5.18 114.28 99.61 2cna n THR 120 Ca 0.01 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.93 2cna n THR 120 Cb 0.10 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.59 2cna n THR 120 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 2cna s HIS 121 N 0.02 -0.34 -1.30 -1.42 -3.43 -1.26 -4.90 115.29 102.65 2cna s HIS 121 Ca 0.00 0.06 -0.05 0.00 -0.80 0.00 0.00 55.06 54.27 2cna s HIS 121 Cb 0.00 0.61 0.01 0.00 -1.43 0.00 0.00 32.58 31.77 2cna s HIS 121 CO 0.00 -0.91 1.08 0.94 -2.00 0.00 0.00 174.74 173.85 2cna n GLN 122 N -0.39 -7.15 0.00 -0.38 7.27 -1.26 -4.99 117.38 110.47 2cna n GLN 122 Ca -0.10 0.81 0.00 0.00 0.07 0.00 0.00 57.00 57.78 2cna n GLN 122 Cb 0.62 -5.82 0.00 0.00 2.41 0.00 0.00 30.24 27.45 2cna n GLN 122 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 2cna n THR 123 N -4.60 0.00 -3.66 1.69 -1.04 -1.26 -4.96 114.28 100.45 2cna n THR 123 Ca -0.13 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.58 2cna n THR 123 Cb 0.61 -0.31 -0.04 0.00 -1.82 0.00 0.00 70.33 68.77 2cna n THR 123 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2cna s ASP 124 N -2.11 6.46 0.00 8.00 -0.00 -0.53 -4.94 116.67 123.55 2cna s ASP 124 Ca 0.00 0.54 0.00 0.00 -0.00 0.00 0.00 52.55 53.09 2cna s ASP 124 Cb 0.00 -2.07 0.00 0.00 -0.00 0.00 0.00 42.92 40.85 2cna s ASP 124 CO 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 175.17 175.18 2cna n ALA 125 N -0.16 0.00 -2.95 5.23 0.00 -1.26 0.21 120.51 121.58 2cna n ALA 125 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.30 2cna n ALA 125 Cb 0.52 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.85 2cna n ALA 125 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2cna s LEU 126 N 0.00 1.94 0.01 0.00 2.96 0.10 -5.00 118.68 118.70 2cna s LEU 126 Ca 0.00 -0.11 0.05 0.00 -0.22 0.00 0.00 54.13 53.85 2cna s LEU 126 Cb 0.00 0.17 -0.02 0.00 0.50 0.00 0.00 46.19 46.84 2cna s LEU 126 CO 0.00 -0.12 -0.15 -2.28 -1.32 0.00 0.00 176.35 172.48 2cna s HIS 127 N -0.51 1.28 -0.06 5.38 5.65 -1.26 -1.56 115.29 124.22 2cna s HIS 127 Ca -0.06 -0.30 -0.02 0.00 0.25 0.00 0.00 55.06 54.94 2cna s HIS 127 Cb -0.04 -0.79 0.03 0.00 -1.18 0.00 0.00 32.58 30.60 2cna s HIS 127 CO -0.00 0.01 0.03 -0.59 -0.65 0.00 0.00 174.74 173.54 2cna s PHE 128 N -0.58 0.40 -0.17 3.88 -0.00 -0.36 -5.00 117.98 116.15 2cna s PHE 128 Ca 0.04 0.02 -0.03 0.00 -0.00 0.00 0.00 56.93 56.96 2cna s PHE 128 Cb -0.07 -0.66 -0.02 0.00 -0.00 0.00 0.00 43.02 42.28 2cna s PHE 128 CO 0.00 -0.27 -0.06 -1.64 -0.00 0.00 0.00 175.22 173.26 2cna s MET 129 N 2.04 3.52 -0.06 1.99 -1.94 -1.26 -1.04 119.30 122.55 2cna s MET 129 Ca 0.05 -0.59 0.02 0.00 -1.71 0.00 0.00 55.69 53.46 2cna s MET 129 Cb -0.12 -2.88 0.01 0.00 2.01 0.00 0.00 34.83 33.85 2cna s MET 129 CO -0.04 0.11 -0.10 -0.06 -0.01 0.00 0.00 175.02 174.91 2cna s PHE 130 N 0.69 1.23 0.00 -0.03 2.99 0.53 -4.95 117.98 118.44 2cna s PHE 130 Ca -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 56.93 56.48 2cna s PHE 130 Cb -0.15 -0.93 0.00 0.00 0.00 0.00 0.00 43.02 41.95 2cna s PHE 130 CO 0.02 -0.23 0.05 0.09 -0.00 0.00 0.00 175.22 175.15 2cna n ASN 131 N 3.80 0.10 -3.41 1.36 5.03 -1.26 0.12 115.26 121.00 2cna n ASN 131 Ca -0.23 -0.56 0.02 0.00 0.87 0.00 0.00 54.58 54.68 2cna n ASN 131 Cb 0.52 0.09 -0.05 0.00 -1.02 0.00 0.00 39.78 39.32 2cna n ASN 131 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2cna s GLN 132 N -0.09 0.12 0.49 3.52 -2.07 -1.24 -4.64 119.66 115.75 2cna s GLN 132 Ca 0.00 0.25 -0.04 0.00 -1.82 0.00 0.00 55.36 53.75 2cna s GLN 132 Cb 0.00 0.10 -0.02 0.00 -1.09 0.00 0.00 33.01 32.00 2cna s GLN 132 CO 0.00 -0.03 0.76 -0.06 -1.32 0.00 0.00 175.29 174.64 2cna s PHE 133 N 1.72 3.41 0.50 9.60 0.08 -1.19 -4.94 117.98 127.17 2cna s PHE 133 Ca -0.04 0.61 0.05 0.00 0.12 0.00 0.00 56.93 57.67 2cna s PHE 133 Cb -0.02 -2.36 -0.00 0.00 -0.57 0.00 0.00 43.02 40.06 2cna s PHE 133 CO -0.14 -0.38 0.23 -1.54 -0.10 0.00 0.00 175.22 173.29 2cna s SER 134 N -4.17 4.44 0.34 1.36 1.04 -1.26 -3.87 113.70 111.58 2cna s SER 134 Ca 0.48 -1.31 0.18 0.00 0.48 0.00 0.00 55.95 55.78 2cna s SER 134 Cb -0.10 0.20 0.38 0.00 0.10 0.00 0.00 66.02 66.60 2cna s SER 134 CO 0.43 -0.88 1.59 0.50 0.98 0.00 0.00 173.24 175.85 2cna h LYS 135 N 1.10 0.00 0.00 4.02 3.64 -1.89 -3.10 116.57 120.34 2cna h LYS 135 Ca -0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2cna h LYS 135 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2cna h LYS 135 CO 0.65 0.38 0.00 -0.25 -2.27 0.00 0.00 179.45 177.97 2cna n ASP 136 N -3.30 0.00 -3.30 4.20 8.00 -1.26 -4.97 116.55 115.92 2cna n ASP 136 Ca 0.01 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.25 2cna n ASP 136 Cb 0.62 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.74 2cna n ASP 136 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cna n GLN 137 N -0.49 -1.93 -0.00 -1.24 1.13 -1.25 -4.90 117.38 108.70 2cna n GLN 137 Ca 0.00 1.57 0.10 0.00 -1.94 0.00 0.00 57.00 56.73 2cna n GLN 137 Cb 0.00 -2.89 -0.13 0.00 0.11 0.00 0.00 30.24 27.33 2cna n GLN 137 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2cna n LYS 138 N -0.02 0.45 -1.44 -1.09 5.02 -1.26 -4.29 118.16 115.52 2cna n LYS 138 Ca -0.03 -0.05 -0.30 0.00 -2.02 0.00 0.00 58.31 55.91 2cna n LYS 138 Cb 0.59 -1.46 0.08 0.00 -0.02 0.00 0.00 35.03 34.22 2cna n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2cna n ASP 139 N -1.66 6.49 -3.94 4.39 5.75 -1.26 -4.91 116.55 121.40 2cna n ASP 139 Ca 0.02 -3.77 -0.11 0.00 -0.01 0.00 0.00 54.79 50.92 2cna n ASP 139 Cb 0.37 -0.81 -0.13 0.00 -1.03 0.00 0.00 41.12 39.52 2cna n ASP 139 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2cna s LEU 140 N -3.70 2.12 -0.40 -2.12 1.43 -1.26 -2.59 118.68 112.16 2cna s LEU 140 Ca 0.60 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 53.43 2cna s LEU 140 Cb 0.48 -0.00 0.11 0.00 0.03 0.00 0.00 46.19 46.81 2cna s LEU 140 CO 0.01 -0.13 0.18 -0.63 0.23 0.00 0.00 176.35 176.01 2cna s ILE 141 N -0.72 3.12 0.11 -0.59 -1.09 0.19 -4.89 121.20 117.34 2cna s ILE 141 Ca -0.07 -2.10 -0.13 0.00 -2.23 0.00 0.00 60.65 56.12 2cna s ILE 141 Cb -0.05 -3.16 -0.06 0.00 -1.58 0.00 0.00 42.46 37.61 2cna s ILE 141 CO -0.00 -0.67 0.49 -0.76 -1.23 0.00 0.00 174.94 172.77 2cna s LEU 142 N 1.10 4.36 0.14 2.97 1.43 -1.26 0.79 118.68 128.22 2cna s LEU 142 Ca 0.09 0.98 0.10 0.00 -1.03 0.00 0.00 54.13 54.27 2cna s LEU 142 Cb -0.22 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 2cna s LEU 142 CO -0.05 0.14 -0.21 -1.10 0.23 0.00 0.00 176.35 175.36 2cna s GLN 143 N -1.87 1.64 2.28 1.70 -0.21 3.02 -4.90 119.66 121.32 2cna s GLN 143 Ca 0.35 -1.31 0.00 0.00 0.02 0.00 0.00 55.36 54.42 2cna s GLN 143 Cb -0.15 -2.00 0.00 0.00 1.00 0.00 0.00 33.01 31.87 2cna s GLN 143 CO 0.18 0.45 0.00 0.41 -2.12 0.00 0.00 175.29 174.21 2cna n GLY 144 N 0.64 1.30 1.16 3.09 0.00 -1.26 -1.63 105.19 108.48 2cna n GLY 144 Ca -0.15 0.59 0.08 0.00 0.00 0.00 0.00 46.02 46.54 2cna n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cna n ASP 145 N 6.71 4.05 -4.74 1.61 8.00 -1.21 -4.97 116.55 125.99 2cna n ASP 145 Ca 0.00 -2.45 -0.35 0.00 0.71 0.00 0.00 54.79 52.70 2cna n ASP 145 Cb 0.00 -0.47 0.06 0.00 -0.02 0.00 0.00 41.12 40.69 2cna n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cna s ALA 146 N -1.83 2.37 -0.02 2.24 0.00 -1.13 -4.20 121.76 119.20 2cna s ALA 146 Ca 0.41 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.31 2cna s ALA 146 Cb 0.27 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.96 2cna s ALA 146 CO 0.19 -1.47 0.00 0.99 0.00 0.00 0.00 175.76 175.47 2cna s THR 147 N -1.80 0.13 -0.06 0.00 2.01 0.11 -4.95 115.64 111.09 2cna s THR 147 Ca 0.76 0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.86 2cna s THR 147 Cb -0.29 -0.21 -0.02 0.00 0.01 0.00 0.00 72.50 71.98 2cna s THR 147 CO 0.39 0.11 -0.16 0.42 -0.69 0.00 0.00 174.62 174.69 2cna s THR 148 N 0.80 2.86 0.00 -0.82 -4.23 -1.26 0.18 115.64 113.16 2cna s THR 148 Ca -0.08 -0.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 2cna s THR 148 Cb -0.11 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.61 2cna s THR 148 CO -0.02 0.58 0.00 0.61 -0.54 0.00 0.00 174.62 175.25 2cna n GLY 149 N 2.61 1.69 0.27 3.99 0.00 -0.76 -4.27 105.19 108.71 2cna n GLY 149 Ca -0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 2cna n GLY 149 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2cna n THR 150 N -2.00 -0.43 -1.92 2.61 -1.04 -1.25 -1.77 114.28 108.47 2cna n THR 150 Ca 0.00 1.75 0.05 0.00 -2.04 0.00 0.00 64.05 63.81 2cna n THR 150 Cb 0.00 -2.19 0.09 0.00 -1.82 0.00 0.00 70.33 66.41 2cna n THR 150 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2cna n ASP 151 N -4.57 1.21 -0.24 8.00 2.03 -1.26 -4.90 116.55 116.82 2cna n ASP 151 Ca 0.01 -2.71 0.00 0.00 0.52 0.00 0.00 54.79 52.61 2cna n ASP 151 Cb 0.17 -0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.20 2cna n ASP 151 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2cna n GLY 152 N -0.37 0.82 3.23 0.27 0.00 -0.73 -5.05 105.19 103.36 2cna n GLY 152 Ca 0.10 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 2cna n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cna s ASN 153 N -2.85 0.18 -0.26 1.61 0.01 -1.26 -3.16 114.94 109.21 2cna s ASN 153 Ca 0.00 -1.19 -0.15 0.00 -0.71 0.00 0.00 52.86 50.81 2cna s ASN 153 Cb 0.00 0.37 -0.04 0.00 0.41 0.00 0.00 41.25 41.99 2cna s ASN 153 CO 0.00 -0.83 0.36 -0.22 -1.51 0.00 0.00 177.10 174.90 2cna s LEU 154 N -3.07 4.05 -0.37 0.60 2.96 -0.98 -1.83 118.68 120.04 2cna s LEU 154 Ca 0.28 0.28 0.02 0.00 -0.22 0.00 0.00 54.13 54.49 2cna s LEU 154 Cb 0.06 -2.40 0.10 0.00 0.50 0.00 0.00 46.19 44.45 2cna s LEU 154 CO 0.06 -0.16 0.11 -0.70 -1.32 0.00 0.00 176.35 174.33 2cna s GLU 155 N 1.97 1.67 0.22 1.98 2.56 0.13 0.13 118.70 127.35 2cna s GLU 155 Ca 0.15 -1.87 -0.10 0.00 0.00 0.00 0.00 54.97 53.15 2cna s GLU 155 Cb -0.16 -3.34 0.18 0.00 2.00 0.00 0.00 34.13 32.81 2cna s GLU 155 CO 0.10 -0.99 1.88 -0.07 -0.56 0.00 0.00 175.26 175.62 2cna h LEU 156 N 7.75 0.89 -9.99 2.70 3.38 -1.41 0.33 115.31 118.96 2cna h LEU 156 Ca -0.07 -0.02 -0.54 0.00 0.09 0.00 0.00 57.88 57.34 2cna h LEU 156 Cb 1.03 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 2cna h LEU 156 CO 0.58 0.64 -0.49 -0.89 0.09 0.00 0.00 178.44 178.37 2cna s THR 157 N -6.13 5.05 -0.15 0.22 2.01 -1.23 -3.27 115.64 112.15 2cna s THR 157 Ca -0.13 -0.87 -0.29 0.00 0.31 0.00 0.00 61.69 60.72 2cna s THR 157 Cb 0.15 -3.62 -0.06 0.00 0.01 0.00 0.00 72.50 68.98 2cna s THR 157 CO 0.78 -0.14 2.16 0.54 -0.69 0.00 0.00 174.62 177.27 2cna n ARG 158 N -0.64 2.22 -4.25 4.92 1.74 -1.26 -4.81 116.66 114.57 2cna n ARG 158 Ca -0.08 0.68 -0.26 0.00 -0.77 0.00 0.00 57.85 57.42 2cna n ARG 158 Cb 0.55 -3.17 -0.08 0.00 -1.02 0.00 0.00 32.46 28.73 2cna n ARG 158 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2cna s VAL 159 N 7.23 3.49 0.37 1.55 1.01 -1.26 -0.68 120.40 132.11 2cna s VAL 159 Ca 0.98 -1.58 0.04 0.00 0.00 0.00 0.00 61.98 61.42 2cna s VAL 159 Cb -0.37 -2.76 0.07 0.00 0.00 0.00 0.00 36.38 33.32 2cna s VAL 159 CO 0.37 -0.15 0.51 -1.20 0.00 0.00 0.00 175.10 174.64 2cna n SER 160 N -0.17 1.16 0.05 3.32 7.64 -0.16 -4.95 113.62 120.50 2cna n SER 160 Ca -0.10 -1.87 0.12 0.00 1.01 0.00 0.00 58.87 58.04 2cna n SER 160 Cb 0.56 -0.29 0.48 0.00 -1.01 0.00 0.00 64.21 63.95 2cna n SER 160 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2cna n SER 161 N -2.68 0.33 -0.00 6.43 7.64 -1.26 -3.29 113.62 120.79 2cna n SER 161 Ca 0.10 0.55 0.03 0.00 1.01 0.00 0.00 58.87 60.55 2cna n SER 161 Cb 0.36 -0.63 -0.04 0.00 -1.01 0.00 0.00 64.21 62.90 2cna n SER 161 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2cna n ASN 162 N -1.83 0.62 0.00 6.43 2.04 -1.26 -5.04 115.26 116.22 2cna n ASN 162 Ca 0.05 -0.58 0.00 0.00 -0.44 0.00 0.00 54.58 53.61 2cna n ASN 162 Cb 0.32 1.03 0.00 0.00 -2.53 0.00 0.00 39.78 38.60 2cna n ASN 162 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2cna n GLY 163 N 1.25 1.45 2.13 4.83 0.00 -1.21 -5.06 105.19 108.58 2cna n GLY 163 Ca 0.01 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 2cna n GLY 163 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cna n SER 164 N 0.00 -3.03 -4.69 1.61 3.41 -1.26 -0.99 113.62 108.67 2cna n SER 164 Ca 0.00 0.03 -0.44 0.00 -0.26 0.00 0.00 58.87 58.20 2cna n SER 164 Cb 0.00 -0.81 -0.03 0.00 -0.26 0.00 0.00 64.21 63.10 2cna n SER 164 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2cna n PRO 165 N 0.30 2.37 -2.01 4.33 -0.04 -1.26 -3.27 135.00 135.42 2cna n PRO 165 Ca -0.03 0.85 -0.29 0.00 -0.04 0.00 0.00 63.50 64.00 2cna n PRO 165 Cb 0.32 -2.63 0.06 0.00 -0.04 0.00 0.00 33.50 31.21 2cna n PRO 165 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2cna s GLU 166 N 0.68 2.53 0.47 0.54 4.04 0.14 -4.67 118.70 122.43 2cna s GLU 166 Ca 0.75 0.20 0.04 0.00 0.04 0.00 0.00 54.97 56.00 2cna s GLU 166 Cb -0.61 -2.06 -0.04 0.00 0.02 0.00 0.00 34.13 31.45 2cna s GLU 166 CO 0.39 -1.17 0.02 0.20 -1.84 0.00 0.00 175.26 172.85 2cna s GLY 167 N -4.43 2.80 -1.46 -3.83 0.00 -1.26 -4.44 107.32 94.69 2cna s GLY 167 Ca 0.59 -1.18 -0.12 0.00 0.00 0.00 0.00 44.72 44.01 2cna s GLY 167 CO 0.49 -2.15 0.74 -1.26 0.00 0.00 0.00 173.10 170.92 2cna n SER 168 N -1.16 -4.45 -4.68 1.64 2.88 -0.36 -4.80 113.62 102.70 2cna n SER 168 Ca -0.13 -0.59 -0.23 0.00 -1.33 0.00 0.00 58.87 56.59 2cna n SER 168 Cb 0.67 -3.60 -0.07 0.00 -0.75 0.00 0.00 64.21 60.46 2cna n SER 168 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cna s SER 169 N -3.00 4.62 -0.29 -3.46 0.15 -1.05 -4.84 113.70 105.82 2cna s SER 169 Ca 0.53 -0.68 -0.16 0.00 0.70 0.00 0.00 55.95 56.35 2cna s SER 169 Cb -0.27 -0.83 0.16 0.00 -1.71 0.00 0.00 66.02 63.37 2cna s SER 169 CO 0.66 -0.10 1.03 0.54 1.20 0.00 0.00 173.24 176.56 2cna s VAL 170 N -2.35 -0.19 0.19 4.45 0.11 -1.26 -1.85 120.40 119.50 2cna s VAL 170 Ca 0.34 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 59.15 2cna s VAL 170 Cb -0.05 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.85 2cna s VAL 170 CO 0.21 0.00 0.87 -0.83 -3.33 0.00 0.00 175.10 172.02 2cna s GLY 171 N 1.76 -0.19 0.34 6.54 0.00 -1.26 -3.34 107.32 111.17 2cna s GLY 171 Ca -0.06 -0.00 -0.18 0.00 0.00 0.00 0.00 44.72 44.48 2cna s GLY 171 CO -0.15 -0.02 0.75 0.50 0.00 0.00 0.00 173.10 174.18 2cna s ARG 172 N -3.51 2.03 -0.17 2.90 0.52 -0.65 -3.64 118.95 116.44 2cna s ARG 172 Ca 0.11 -1.24 -0.16 0.00 -0.52 0.00 0.00 55.73 53.92 2cna s ARG 172 Cb -0.03 0.62 0.04 0.00 0.52 0.00 0.00 34.95 36.10 2cna s ARG 172 CO 0.03 -0.94 0.46 0.00 0.02 0.00 0.00 175.30 174.87 2cna s ALA 173 N -3.04 -1.14 0.05 2.13 0.00 0.31 0.66 121.76 120.73 2cna s ALA 173 Ca 0.14 1.28 0.05 0.00 0.00 0.00 0.00 51.96 53.42 2cna s ALA 173 Cb -0.05 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 2cna s ALA 173 CO 0.10 -0.22 -0.13 -0.48 0.00 0.00 0.00 175.76 175.02 2cna s LEU 174 N 0.19 2.22 0.51 0.00 2.34 0.24 0.39 118.68 124.56 2cna s LEU 174 Ca -0.00 -0.52 -0.23 0.00 0.06 0.00 0.00 54.13 53.44 2cna s LEU 174 Cb -0.03 -0.52 -0.06 0.00 -0.56 0.00 0.00 46.19 45.02 2cna s LEU 174 CO 0.01 -0.03 1.38 0.33 -1.06 0.00 0.00 176.35 176.98 2cna n PHE 175 N 1.64 2.44 0.27 3.48 -0.00 0.22 0.53 117.46 126.05 2cna n PHE 175 Ca -0.20 0.43 -0.14 0.00 -0.00 0.00 0.00 57.45 57.54 2cna n PHE 175 Cb 0.55 -2.40 -0.08 0.00 -0.00 0.00 0.00 39.48 37.55 2cna n PHE 175 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 2cna h TYR 176 N 1.74 -1.04 -2.58 -5.13 3.20 -1.83 -3.42 116.97 107.91 2cna h TYR 176 Ca -0.51 -0.00 -0.53 0.00 3.14 0.00 0.00 58.73 60.83 2cna h TYR 176 Cb 1.29 0.39 0.05 0.00 1.54 0.00 0.00 36.73 40.01 2cna h TYR 176 CO 0.47 -0.54 1.02 0.00 -1.64 0.00 0.00 178.16 177.48 2cna n ALA 177 N -2.63 2.58 -0.51 1.82 0.00 -1.26 -4.98 120.51 115.51 2cna n ALA 177 Ca -0.10 0.38 -0.30 0.00 0.00 0.00 0.00 53.44 53.42 2cna n ALA 177 Cb 0.37 -2.53 0.27 0.00 0.00 0.00 0.00 19.45 17.56 2cna n ALA 177 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2cna s PRO 178 N 1.56 -2.17 0.16 0.00 0.04 -1.26 -4.74 135.00 128.58 2cna s PRO 178 Ca 0.77 0.30 0.09 0.00 0.04 0.00 0.00 61.00 62.20 2cna s PRO 178 Cb -0.51 -1.45 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 2cna s PRO 178 CO 0.34 -4.42 -0.19 0.08 0.04 0.00 0.00 177.00 172.85 2cna s VAL 179 N -2.42 1.86 -0.51 -0.36 1.01 0.40 -4.95 120.40 115.44 2cna s VAL 179 Ca 0.69 -1.86 -0.05 0.00 0.00 0.00 0.00 61.98 60.76 2cna s VAL 179 Cb -0.16 -1.83 0.13 0.00 0.00 0.00 0.00 36.38 34.53 2cna s VAL 179 CO 0.60 -0.24 0.34 -2.28 0.00 0.00 0.00 175.10 173.51 2cna s HIS 180 N -1.84 3.50 0.02 5.22 2.46 -1.26 -0.63 115.29 122.77 2cna s HIS 180 Ca 0.15 -2.37 -0.13 0.00 0.47 0.00 0.00 55.06 53.19 2cna s HIS 180 Cb -0.07 -3.31 -0.07 0.00 -0.13 0.00 0.00 32.58 29.00 2cna s HIS 180 CO 0.07 -0.94 1.19 0.82 -2.47 0.00 0.00 174.74 173.41 2cna h ILE 181 N 5.90 0.00 -4.22 0.89 5.03 -1.67 -3.47 117.51 119.98 2cna h ILE 181 Ca -0.10 0.00 -0.21 0.00 -0.12 0.00 0.00 64.86 64.42 2cna h ILE 181 Cb 1.02 0.00 -0.15 0.00 -3.03 0.00 0.00 36.82 34.66 2cna h ILE 181 CO 0.74 0.00 -0.65 0.86 -0.68 0.00 0.00 178.15 178.42 2cna s TRP 182 N -3.99 0.96 0.30 1.37 -0.00 -1.25 -4.87 118.94 111.45 2cna s TRP 182 Ca -0.07 -1.16 -0.12 0.00 -0.00 0.00 0.00 56.10 54.75 2cna s TRP 182 Cb 0.01 -0.54 0.01 0.00 -0.00 0.00 0.00 33.47 32.95 2cna s TRP 182 CO 0.20 -0.42 0.58 -2.00 -0.00 0.00 0.00 176.95 175.30 2cna s GLU 183 N -4.00 1.80 0.06 5.86 -6.30 -1.26 -4.93 118.70 109.93 2cna s GLU 183 Ca 0.23 -1.36 -0.12 0.00 -2.50 0.00 0.00 54.97 51.23 2cna s GLU 183 Cb 0.07 0.52 -0.03 0.00 0.00 0.00 0.00 34.13 34.69 2cna s GLU 183 CO 0.02 -0.78 1.20 1.03 0.02 0.00 0.00 175.26 176.75 2cna h SER 184 N 2.13 -0.77 -0.58 -1.70 0.87 -2.02 -2.77 113.55 108.71 2cna h SER 184 Ca -0.27 0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.38 2cna h SER 184 Cb 1.25 0.34 -0.02 0.00 -0.44 0.00 0.00 62.40 63.52 2cna h SER 184 CO 0.35 -0.10 0.04 -1.20 -0.53 0.00 0.00 176.83 175.39 2cna n SER 185 N -3.79 5.50 -4.70 6.23 7.64 -1.26 -4.94 113.62 118.29 2cna n SER 185 Ca 0.00 -2.99 -0.39 0.00 1.01 0.00 0.00 58.87 56.50 2cna n SER 185 Cb 0.10 -0.69 -0.06 0.00 -1.01 0.00 0.00 64.21 62.56 2cna n SER 185 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cna s ALA 186 N -2.82 3.45 0.00 -0.43 0.00 -1.05 -2.04 121.76 118.88 2cna s ALA 186 Ca 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.37 2cna s ALA 186 Cb 0.42 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.74 2cna s ALA 186 CO 0.15 -0.16 0.08 -2.37 0.00 0.00 0.00 175.76 173.46 2cna n THR 187 N 3.95 0.00 -3.45 0.00 5.66 -0.92 -4.68 114.28 114.83 2cna n THR 187 Ca -0.04 -0.37 -0.22 0.00 -3.05 0.00 0.00 64.05 60.37 2cna n THR 187 Cb 0.51 1.06 -0.11 0.00 -1.55 0.00 0.00 70.33 70.24 2cna n THR 187 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2cna s VAL 188 N -0.57 -0.24 0.22 1.08 1.01 -1.23 -4.70 120.40 115.98 2cna s VAL 188 Ca 0.00 -0.75 0.09 0.00 0.00 0.00 0.00 61.98 61.32 2cna s VAL 188 Cb 0.00 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 2cna s VAL 188 CO 0.00 -0.62 -0.04 -0.55 0.00 0.00 0.00 175.10 173.89 2cna s SER 189 N 2.05 4.45 -0.05 3.32 0.15 -1.26 -1.21 113.70 121.15 2cna s SER 189 Ca 0.11 -0.59 -0.20 0.00 0.70 0.00 0.00 55.95 55.97 2cna s SER 189 Cb -0.16 -0.82 0.04 0.00 -1.71 0.00 0.00 66.02 63.38 2cna s SER 189 CO -0.28 0.05 0.44 0.00 1.20 0.00 0.00 173.24 174.66 2cna s ALA 190 N -2.00 -1.13 -0.02 5.45 0.00 -0.61 -3.36 121.76 120.09 2cna s ALA 190 Ca 0.28 0.76 0.02 0.00 0.00 0.00 0.00 51.96 53.02 2cna s ALA 190 Cb -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.99 2cna s ALA 190 CO 0.18 -0.29 -0.06 -0.59 0.00 0.00 0.00 175.76 174.99 2cna s PHE 191 N -1.08 0.67 -0.05 0.00 -0.00 -0.85 -1.40 117.98 115.27 2cna s PHE 191 Ca -0.11 -0.15 -0.02 0.00 -0.00 0.00 0.00 56.93 56.65 2cna s PHE 191 Cb -0.03 -0.49 0.03 0.00 -0.00 0.00 0.00 43.02 42.53 2cna s PHE 191 CO 0.06 -0.06 0.11 -2.00 -0.00 0.00 0.00 175.22 173.33 2cna s GLU 192 N 0.14 0.06 -0.11 1.99 2.12 0.29 -2.75 118.70 120.44 2cna s GLU 192 Ca -0.02 0.31 -0.14 0.00 0.36 0.00 0.00 54.97 55.49 2cna s GLU 192 Cb -0.06 -0.18 0.03 0.00 0.26 0.00 0.00 34.13 34.18 2cna s GLU 192 CO -0.00 -0.16 0.37 0.00 -0.54 0.00 0.00 175.26 174.93 2cna s ALA 193 N 1.08 -0.92 0.12 6.30 0.00 -1.02 0.13 121.76 127.44 2cna s ALA 193 Ca -0.09 0.92 0.02 0.00 0.00 0.00 0.00 51.96 52.82 2cna s ALA 193 Cb -0.11 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 2cna s ALA 193 CO -0.05 -0.20 -0.05 -0.08 0.00 0.00 0.00 175.76 175.38 2cna s THR 194 N -0.13 0.70 -0.29 0.00 -1.32 -1.00 -0.43 115.64 113.17 2cna s THR 194 Ca -0.03 -1.95 -0.16 0.00 -1.21 0.00 0.00 61.69 58.34 2cna s THR 194 Cb -0.03 -1.78 0.15 0.00 -1.51 0.00 0.00 72.50 69.33 2cna s THR 194 CO 0.01 -0.78 1.02 0.72 -2.21 0.00 0.00 174.62 173.37 2cna s PHE 195 N -3.63 -0.50 0.04 9.09 -0.12 0.18 -2.06 117.98 120.98 2cna s PHE 195 Ca 0.15 1.00 -0.15 0.00 -0.05 0.00 0.00 56.93 57.88 2cna s PHE 195 Cb 0.05 0.30 -0.06 0.00 -0.63 0.00 0.00 43.02 42.68 2cna s PHE 195 CO -0.03 -0.25 0.44 0.00 -0.05 0.00 0.00 175.22 175.34 2cna s ALA 196 N 1.32 3.67 0.08 1.99 0.00 -1.02 0.25 121.76 128.06 2cna s ALA 196 Ca -0.09 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 51.69 2cna s ALA 196 Cb -0.03 -2.42 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 2cna s ALA 196 CO -0.14 0.48 -0.06 -0.59 0.00 0.00 0.00 175.76 175.44 2cna s PHE 197 N -1.17 0.81 -0.25 0.00 -0.12 0.12 -3.01 117.98 114.36 2cna s PHE 197 Ca 0.27 -0.85 -0.02 0.00 -0.05 0.00 0.00 56.93 56.28 2cna s PHE 197 Cb -0.17 -0.48 0.08 0.00 -0.63 0.00 0.00 43.02 41.83 2cna s PHE 197 CO 0.15 -0.16 0.07 -1.17 -0.05 0.00 0.00 175.22 174.07 2cna s LEU 198 N -2.75 1.46 -0.21 -1.99 0.20 0.18 -1.09 118.68 114.48 2cna s LEU 198 Ca 0.07 -1.20 -0.09 0.00 0.69 0.00 0.00 54.13 53.60 2cna s LEU 198 Cb 0.03 -0.65 -0.04 0.00 -0.43 0.00 0.00 46.19 45.09 2cna s LEU 198 CO -0.04 -0.37 0.11 -0.63 -0.29 0.00 0.00 176.35 175.12 2cna s ILE 199 N 1.81 5.02 -0.11 6.68 1.01 -1.26 -2.00 121.20 132.35 2cna s ILE 199 Ca 0.05 0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.77 2cna s ILE 199 Cb -0.17 -3.30 0.02 0.00 0.01 0.00 0.00 42.46 39.01 2cna s ILE 199 CO -0.19 0.41 -0.14 -0.54 0.00 0.00 0.00 174.94 174.47 2cna s LYS 200 N 0.73 2.07 -0.18 2.79 1.02 -1.21 -1.38 119.74 123.57 2cna s LYS 200 Ca 0.06 -0.50 -0.01 0.00 0.02 0.00 0.00 55.97 55.53 2cna s LYS 200 Cb -0.13 -1.81 0.05 0.00 -0.52 0.00 0.00 37.83 35.42 2cna s LYS 200 CO 0.02 -0.09 -0.03 0.45 -0.92 0.00 0.00 175.35 174.78 2cna s SER 201 N 1.08 3.04 0.37 2.83 0.15 -1.26 -0.83 113.70 119.09 2cna s SER 201 Ca -0.05 -0.80 0.11 0.00 0.70 0.00 0.00 55.95 55.90 2cna s SER 201 Cb -0.15 -0.89 0.73 0.00 -1.71 0.00 0.00 66.02 64.01 2cna s SER 201 CO -0.03 -0.22 1.86 1.55 1.20 0.00 0.00 173.24 177.60 2cna h PRO 202 N 8.12 0.13 -7.16 5.44 0.13 -1.99 -3.43 132.00 133.24 2cna h PRO 202 Ca -0.21 -0.04 -0.47 0.00 -0.87 0.00 0.00 66.00 64.41 2cna h PRO 202 Cb 1.10 -0.01 0.06 0.00 0.13 0.00 0.00 31.00 32.28 2cna h PRO 202 CO 0.38 0.39 0.20 -0.51 -0.23 0.00 0.00 178.00 178.23 2cna s ASP 203 N -6.91 5.49 0.05 1.44 -0.00 -1.26 -4.97 116.67 110.50 2cna s ASP 203 Ca -0.04 0.71 0.23 0.00 -0.00 0.00 0.00 52.55 53.44 2cna s ASP 203 Cb 0.15 -1.64 0.06 0.00 -0.00 0.00 0.00 42.92 41.48 2cna s ASP 203 CO 0.73 -1.15 1.04 -1.54 -0.00 0.00 0.00 175.17 174.26 2cna n SER 204 N -2.65 0.62 -3.56 0.27 3.41 -1.26 -4.33 113.62 106.12 2cna n SER 204 Ca 0.05 -0.23 -0.36 0.00 -0.26 0.00 0.00 58.87 58.07 2cna n SER 204 Cb 0.58 0.77 -0.01 0.00 -0.26 0.00 0.00 64.21 65.29 2cna n SER 204 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2cna n HIS 205 N -1.94 3.05 -1.62 7.33 8.25 -1.26 -5.07 115.22 123.96 2cna n HIS 205 Ca 0.02 -3.17 -0.41 0.00 -0.26 0.00 0.00 57.72 53.90 2cna n HIS 205 Cb 0.43 -0.94 0.01 0.00 1.12 0.00 0.00 29.99 30.60 2cna n HIS 205 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2cna n PRO 206 N 0.48 1.45 0.00 -0.41 -0.04 -1.26 -4.22 135.00 131.00 2cna n PRO 206 Ca 0.34 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 64.32 2cna n PRO 206 Cb 0.34 -2.09 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 2cna n PRO 206 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cna n ALA 207 N -0.40 0.00 0.00 0.55 0.00 0.76 -4.04 120.51 117.38 2cna n ALA 207 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2cna n ALA 207 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 2cna n ALA 207 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2cna n ASP 208 N 0.00 0.11 0.00 0.00 9.92 -1.19 -3.73 116.55 121.66 2cna n ASP 208 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2cna n ASP 208 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2cna n ASP 208 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2cna n GLY 209 N 2.40 0.92 2.94 0.44 0.00 -1.24 0.20 105.19 110.84 2cna n GLY 209 Ca 0.00 -1.89 -0.25 0.00 0.00 0.00 0.00 46.02 43.88 2cna n GLY 209 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2cna n ILE 210 N 8.15 0.00 -3.53 -0.61 5.41 0.20 -1.66 119.36 127.32 2cna n ILE 210 Ca 0.00 -1.98 0.02 0.00 1.00 0.00 0.00 62.75 61.79 2cna n ILE 210 Cb 0.00 0.50 -0.06 0.00 -0.71 0.00 0.00 39.64 39.37 2cna n ILE 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2cna s ALA 211 N -2.79 -2.75 -0.36 -1.39 0.00 -0.14 0.20 121.76 114.54 2cna s ALA 211 Ca 0.06 1.98 -0.13 0.00 0.00 0.00 0.00 51.96 53.87 2cna s ALA 211 Cb 0.00 -2.02 -0.00 0.00 0.00 0.00 0.00 23.12 21.10 2cna s ALA 211 CO 0.04 -0.50 0.24 0.12 0.00 0.00 0.00 175.76 175.66 2cna s PHE 212 N 1.39 3.23 0.02 0.00 2.19 0.49 -1.75 117.98 123.55 2cna s PHE 212 Ca -0.06 -0.40 0.07 0.00 0.33 0.00 0.00 56.93 56.87 2cna s PHE 212 Cb -0.02 -2.49 -0.02 0.00 -1.31 0.00 0.00 43.02 39.18 2cna s PHE 212 CO -0.12 -0.45 -0.20 -0.59 1.83 0.00 0.00 175.22 175.69 2cna s PHE 213 N 1.69 1.80 -0.13 10.12 -0.12 -1.25 0.93 117.98 131.02 2cna s PHE 213 Ca 0.05 -0.36 -0.03 0.00 -0.05 0.00 0.00 56.93 56.54 2cna s PHE 213 Cb -0.18 -1.10 -0.03 0.00 -0.63 0.00 0.00 43.02 41.08 2cna s PHE 213 CO 0.10 0.05 -0.02 0.42 -0.05 0.00 0.00 175.22 175.72 2cna s ILE 214 N -0.69 4.08 0.00 -4.49 1.01 0.52 -3.60 121.20 118.02 2cna s ILE 214 Ca 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.42 2cna s ILE 214 Cb -0.08 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.62 2cna s ILE 214 CO 0.01 0.53 0.00 -1.54 0.00 0.00 0.00 174.94 173.94 2cna n SER 215 N 3.06 0.00 -4.88 3.58 3.41 -1.20 0.81 113.62 118.39 2cna n SER 215 Ca -0.18 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.14 2cna n SER 215 Cb 0.53 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 2cna n SER 215 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2cna s ASN 216 N 1.76 6.47 0.61 4.04 4.22 -1.24 -1.62 114.94 129.18 2cna s ASN 216 Ca 0.00 1.12 0.35 0.00 -2.14 0.00 0.00 52.86 52.19 2cna s ASN 216 Cb 0.00 -2.32 1.89 0.00 1.28 0.00 0.00 41.25 42.10 2cna s ASN 216 CO 0.00 -0.45 2.06 0.16 -2.04 0.00 0.00 177.10 176.83 2cna h ILE 217 N 0.89 0.00 -0.00 0.54 -0.00 -1.83 0.14 117.51 117.25 2cna h ILE 217 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.39 2cna h ILE 217 Cb 1.19 0.77 0.00 0.00 -0.00 0.00 0.00 36.82 38.78 2cna h ILE 217 CO 0.63 0.00 -0.35 -0.90 -0.00 0.00 0.00 178.15 177.54 2cna n ASP 218 N -2.85 0.68 -4.71 2.16 3.85 -1.26 -5.00 116.55 109.42 2cna n ASP 218 Ca -0.02 -0.49 -0.65 0.00 -0.71 0.00 0.00 54.79 52.91 2cna n ASP 218 Cb 0.19 0.14 -0.09 0.00 -1.35 0.00 0.00 41.12 40.01 2cna n ASP 218 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.20 175.95 2cna n SER 219 N -1.12 1.16 -4.13 -1.12 2.88 0.49 -4.99 113.62 106.80 2cna n SER 219 Ca 0.09 1.17 -0.19 0.00 -1.33 0.00 0.00 58.87 58.61 2cna n SER 219 Cb 0.33 -0.92 -0.13 0.00 -0.75 0.00 0.00 64.21 62.75 2cna n SER 219 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cna s SER 220 N 2.60 1.53 0.06 -3.46 0.15 -1.26 -5.04 113.70 108.28 2cna s SER 220 Ca 1.02 -0.46 -0.31 0.00 0.70 0.00 0.00 55.95 56.91 2cna s SER 220 Cb -1.42 -0.09 -0.08 0.00 -1.71 0.00 0.00 66.02 62.72 2cna s SER 220 CO 0.76 0.01 1.64 -0.63 1.20 0.00 0.00 173.24 176.22 2cna s ILE 221 N -0.89 3.08 0.46 6.45 1.01 -1.26 -5.00 121.20 125.06 2cna s ILE 221 Ca 0.00 0.53 -0.08 0.00 0.00 0.00 0.00 60.65 61.10 2cna s ILE 221 Cb -0.08 -3.34 0.11 0.00 0.01 0.00 0.00 42.46 39.16 2cna s ILE 221 CO 0.01 -0.00 0.55 -0.81 0.00 0.00 0.00 174.94 174.69 2cna n PRO 222 N 5.59 -1.01 -2.38 2.79 -0.04 -1.26 -4.96 135.00 133.73 2cna n PRO 222 Ca 0.16 -0.86 -0.43 0.00 -0.04 0.00 0.00 63.50 62.33 2cna n PRO 222 Cb 0.41 -0.64 -0.02 0.00 -0.04 0.00 0.00 33.50 33.21 2cna n PRO 222 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cna s SER 223 N -3.03 6.92 -0.91 3.54 0.01 -1.26 -3.04 113.70 115.94 2cna s SER 223 Ca 0.32 1.77 -0.05 0.00 1.31 0.00 0.00 55.95 59.30 2cna s SER 223 Cb -0.02 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.68 2cna s SER 223 CO 0.23 -0.76 0.79 0.61 0.41 0.00 0.00 173.24 174.52 2cna n GLY 224 N 3.64 -0.08 0.00 3.44 0.00 -1.26 -4.75 105.19 106.19 2cna n GLY 224 Ca 0.14 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.17 2cna n GLY 224 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cna n SER 225 N -1.76 0.00 -4.10 1.61 7.64 -1.17 -4.58 113.62 111.26 2cna n SER 225 Ca -0.03 0.47 -0.29 0.00 1.01 0.00 0.00 58.87 60.03 2cna n SER 225 Cb 0.56 -0.48 0.27 0.00 -1.01 0.00 0.00 64.21 63.54 2cna n SER 225 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2cna s THR 226 N -2.97 1.70 0.00 0.44 -4.23 -1.26 -0.24 115.64 109.08 2cna s THR 226 Ca 0.06 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 2cna s THR 226 Cb 0.07 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.83 2cna s THR 226 CO 0.20 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.89 2cna n GLY 227 N 0.97 1.11 0.00 3.99 0.00 -0.81 -2.77 105.19 107.68 2cna n GLY 227 Ca 0.06 -0.71 0.14 0.00 0.00 0.00 0.00 46.02 45.51 2cna n GLY 227 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2cna n ARG 228 N 12.55 0.07 0.00 1.61 1.85 -1.26 -3.22 116.66 128.25 2cna n ARG 228 Ca 0.00 -0.01 0.02 0.00 -1.00 0.00 0.00 57.85 56.87 2cna n ARG 228 Cb 0.00 -1.50 0.13 0.00 -1.05 0.00 0.00 32.46 30.04 2cna n ARG 228 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2cna n LEU 229 N -1.46 0.00 -0.13 2.89 4.77 -1.11 -4.78 117.00 117.17 2cna n LEU 229 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2cna n LEU 229 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2cna n LEU 229 CO 0.27 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.51 2cna n LEU 230 N -0.65 0.00 -3.27 2.23 4.32 -1.10 -1.07 117.00 117.46 2cna n LEU 230 Ca 0.03 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.79 2cna n LEU 230 Cb 0.02 -0.01 0.01 0.00 -1.62 0.00 0.00 43.42 41.82 2cna n LEU 230 CO 0.03 0.00 -0.02 0.61 -1.22 0.00 0.00 177.39 176.79 2cna n GLY 231 N -0.00 -0.50 0.04 -0.72 0.00 0.66 -4.46 105.19 100.21 2cna n GLY 231 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2cna n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cna n LEU 232 N -3.88 2.87 -4.16 0.99 4.32 -0.23 -4.83 117.00 112.08 2cna n LEU 232 Ca -0.05 0.00 -0.28 0.00 -0.02 0.00 0.00 56.01 55.66 2cna n LEU 232 Cb 0.57 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 42.20 2cna n LEU 232 CO 0.51 0.48 -0.52 -0.36 -1.22 0.00 0.00 177.39 176.28 2cna s PHE 233 N -1.99 1.97 0.00 -1.77 0.08 -1.22 -4.87 117.98 110.18 2cna s PHE 233 Ca 0.00 -0.66 0.00 0.00 0.12 0.00 0.00 56.93 56.39 2cna s PHE 233 Cb 0.00 -1.33 0.00 0.00 -0.57 0.00 0.00 43.02 41.12 2cna s PHE 233 CO 0.00 -0.25 0.00 -0.35 -0.10 0.00 0.00 175.22 174.52 2cna n PRO 234 N 3.31 -1.02 -2.90 0.24 -0.04 -1.26 -4.83 135.00 128.51 2cna n PRO 234 Ca -0.19 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.84 2cna n PRO 234 Cb 0.53 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.94 2cna n PRO 234 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2cna s ASP 235 N -1.61 6.22 -0.30 3.54 -1.08 -1.26 -4.86 116.67 117.32 2cna s ASP 235 Ca 0.00 -0.86 -0.15 0.00 -0.52 0.00 0.00 52.55 51.02 2cna s ASP 235 Cb 0.00 -2.40 0.17 0.00 -1.46 0.00 0.00 42.92 39.22 2cna s ASP 235 CO 0.00 -1.32 1.00 0.00 0.52 0.00 0.00 175.17 175.37 2cna s ALA 236 N 3.81 -2.74 0.00 3.66 0.00 -1.26 -5.19 121.76 120.04 2cna s ALA 236 Ca 0.23 2.04 0.00 0.00 0.00 0.00 0.00 51.96 54.22 2cna s ALA 236 Cb -0.17 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 20.89 2cna s ALA 236 CO 0.12 -0.96 0.00 0.27 0.00 0.00 0.00 175.76 175.19