#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cfa n LYS 67 N 0.00 0.80 0.23 -1.46 4.76 -1.26 -2.68 118.16 118.56 3cfa n LYS 67 Ca 0.00 0.01 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 3cfa n LYS 67 Cb 0.00 -1.50 0.42 0.00 -1.84 0.00 0.00 35.03 32.11 3cfa n LYS 67 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 3cfa h THR 68 N 0.00 0.23 -3.45 -0.18 2.02 -2.03 -3.38 112.91 106.11 3cfa h THR 68 Ca 0.00 -0.97 -0.78 0.00 0.77 0.00 0.00 66.41 65.43 3cfa h THR 68 Cb 0.06 1.80 -0.29 0.00 -1.74 0.00 0.00 68.15 67.97 3cfa h THR 68 CO 0.00 0.10 0.39 0.49 0.37 0.00 0.00 175.52 176.88 3cfa n PHE 69 N -3.18 4.84 -4.10 3.16 3.72 -1.09 -4.89 117.46 115.92 3cfa n PHE 69 Ca 0.02 -3.83 -0.17 0.00 -0.05 0.00 0.00 57.45 53.41 3cfa n PHE 69 Cb 0.44 -1.57 -0.15 0.00 -0.94 0.00 0.00 39.48 37.26 3cfa n PHE 69 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3cfa s ILE 70 N -1.46 0.37 -0.43 4.37 1.01 -1.26 -4.45 121.20 119.35 3cfa s ILE 70 Ca 0.31 -0.12 -0.24 0.00 0.00 0.00 0.00 60.65 60.60 3cfa s ILE 70 Cb -0.08 -0.38 0.02 0.00 0.01 0.00 0.00 42.46 42.04 3cfa s ILE 70 CO -0.07 0.15 0.86 -0.75 0.00 0.00 0.00 174.94 175.12 3cfa s LYS 71 N 0.42 3.57 -0.10 2.79 2.20 -0.68 -4.94 119.74 123.00 3cfa s LYS 71 Ca -0.05 0.15 -0.18 0.00 -0.36 0.00 0.00 55.97 55.54 3cfa s LYS 71 Cb -0.08 -3.90 -0.04 0.00 -1.51 0.00 0.00 37.83 32.30 3cfa s LYS 71 CO -0.00 -1.09 0.46 0.71 -0.36 0.00 0.00 175.35 175.06 3cfa s TYR 72 N 3.46 3.54 0.40 4.03 1.51 -1.26 -0.61 117.35 128.43 3cfa s TYR 72 Ca 0.34 0.89 0.07 0.00 -1.01 0.00 0.00 57.07 57.36 3cfa s TYR 72 Cb -0.11 -2.51 -0.07 0.00 -0.11 0.00 0.00 41.96 39.15 3cfa s TYR 72 CO 0.23 0.23 0.01 0.14 -1.11 0.00 0.00 175.55 175.05 3cfa s VAL 73 N 0.39 2.08 -1.63 0.71 -7.23 -0.62 -4.83 120.40 109.25 3cfa s VAL 73 Ca 0.25 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.42 3cfa s VAL 73 Cb -0.15 -2.95 0.00 0.00 0.56 0.00 0.00 36.38 33.84 3cfa s VAL 73 CO 0.10 -0.03 0.00 -1.20 -0.31 0.00 0.00 175.10 173.66 3cfa n SER 74 N -0.97 -5.04 -1.85 4.85 7.64 -1.26 -2.97 113.62 114.01 3cfa n SER 74 Ca -0.05 0.20 -0.14 0.00 1.01 0.00 0.00 58.87 59.89 3cfa n SER 74 Cb 0.66 -4.09 0.01 0.00 -1.01 0.00 0.00 64.21 59.79 3cfa n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cfa n GLY 75 N -0.95 -0.13 3.69 0.23 0.00 -1.26 -5.01 105.19 101.77 3cfa n GLY 75 Ca -0.19 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 3cfa n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cfa s ILE 76 N -2.85 4.92 0.50 -0.61 1.01 -1.16 -5.03 121.20 117.98 3cfa s ILE 76 Ca 0.12 1.70 -0.23 0.00 0.00 0.00 0.00 60.65 62.25 3cfa s ILE 76 Cb -0.05 -4.16 -0.06 0.00 0.01 0.00 0.00 42.46 38.19 3cfa s ILE 76 CO 0.15 0.12 1.27 -2.16 0.00 0.00 0.00 174.94 174.33 3cfa s PRO 77 N 1.49 3.48 -0.70 2.79 0.04 -1.26 -4.82 135.00 136.02 3cfa s PRO 77 Ca 0.42 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 63.36 3cfa s PRO 77 Cb -0.18 -2.37 0.18 0.00 0.04 0.00 0.00 34.50 32.17 3cfa s PRO 77 CO 0.18 -0.86 0.64 0.34 0.04 0.00 0.00 177.00 177.34 3cfa s ASP 78 N -1.09 6.44 0.40 6.66 -1.08 -1.26 -4.55 116.67 122.18 3cfa s ASP 78 Ca 0.67 -2.33 0.13 0.00 -0.52 0.00 0.00 52.55 50.49 3cfa s ASP 78 Cb -0.35 -2.19 0.95 0.00 -1.46 0.00 0.00 42.92 39.87 3cfa s ASP 78 CO 0.43 -0.68 1.92 0.22 0.52 0.00 0.00 175.17 177.58 3cfa h TYR 79 N 8.19 0.60 0.05 -5.34 3.20 -1.93 -1.83 116.97 119.90 3cfa h TYR 79 Ca -0.06 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.74 3cfa h TYR 79 Cb 1.06 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.14 3cfa h TYR 79 CO 0.89 0.24 -0.40 0.74 -1.64 0.00 0.00 178.16 177.99 3cfa h PHE 80 N 0.53 0.18 -0.28 -3.82 0.04 -1.92 -3.13 116.94 108.55 3cfa h PHE 80 Ca 0.38 -0.13 -0.10 0.00 2.80 0.00 0.00 57.97 60.92 3cfa h PHE 80 Cb 0.72 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.85 3cfa h PHE 80 CO -0.00 1.16 -0.23 0.87 -0.60 0.00 0.00 178.31 179.50 3cfa h LYS 81 N -0.78 0.52 -0.17 1.51 1.57 -1.86 -2.20 116.57 115.16 3cfa h LYS 81 Ca -0.08 -0.19 0.05 0.00 -1.87 0.00 0.00 60.65 58.56 3cfa h LYS 81 Cb 1.25 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 3cfa h LYS 81 CO 0.03 0.72 0.14 1.96 -0.57 0.00 0.00 179.45 181.74 3cfa h GLN 82 N 0.46 0.00 0.00 3.15 4.20 -1.43 -3.01 115.11 118.48 3cfa h GLN 82 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3cfa h GLN 82 Cb 0.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.44 3cfa h GLN 82 CO 0.05 0.00 0.00 0.43 -0.67 0.00 0.00 178.83 178.64 3cfa n SER 83 N -4.21 0.52 -4.81 1.46 7.64 -0.83 -4.78 113.62 108.62 3cfa n SER 83 Ca 0.01 0.60 -0.34 0.00 1.01 0.00 0.00 58.87 60.16 3cfa n SER 83 Cb 0.27 -0.72 -0.07 0.00 -1.01 0.00 0.00 64.21 62.68 3cfa n SER 83 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3cfa s PHE 84 N -3.19 3.38 -0.72 1.43 0.08 -1.14 -0.64 117.98 117.18 3cfa s PHE 84 Ca 0.07 1.62 0.26 0.00 0.12 0.00 0.00 56.93 58.99 3cfa s PHE 84 Cb 0.11 -2.84 0.83 0.00 -0.57 0.00 0.00 43.02 40.55 3cfa s PHE 84 CO 0.42 -0.04 1.78 -0.35 -0.10 0.00 0.00 175.22 176.93 3cfa n PRO 85 N -0.41 0.25 0.16 0.24 -0.04 -1.26 -4.86 135.00 129.08 3cfa n PRO 85 Ca 0.06 0.23 0.02 0.00 -0.04 0.00 0.00 63.50 63.76 3cfa n PRO 85 Cb 0.53 -1.80 0.34 0.00 -0.04 0.00 0.00 33.50 32.53 3cfa n PRO 85 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3cfa h GLU 86 N 0.00 0.06 0.00 0.54 3.07 -1.84 -3.39 114.58 113.03 3cfa h GLU 86 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3cfa h GLU 86 Cb 0.71 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 3cfa h GLU 86 CO 0.00 0.41 0.00 0.41 -1.40 0.00 0.00 179.01 178.43 3cfa n GLY 87 N -0.46 -1.80 3.62 -3.84 0.00 0.19 -4.81 105.19 98.09 3cfa n GLY 87 Ca -0.02 -1.67 -0.09 0.00 0.00 0.00 0.00 46.02 44.24 3cfa n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3cfa s PHE 88 N 0.00 0.33 0.23 1.61 -0.12 -0.91 -1.37 117.98 117.75 3cfa s PHE 88 Ca 0.00 -0.71 0.07 0.00 -0.05 0.00 0.00 56.93 56.24 3cfa s PHE 88 Cb 0.00 0.26 -0.05 0.00 -0.63 0.00 0.00 43.02 42.60 3cfa s PHE 88 CO 0.00 -1.05 -0.11 0.95 -0.05 0.00 0.00 175.22 174.95 3cfa s THR 89 N -3.88 1.70 0.07 -4.49 -4.23 0.14 -0.55 115.64 104.40 3cfa s THR 89 Ca 0.21 -2.18 0.01 0.00 -1.18 0.00 0.00 61.69 58.55 3cfa s THR 89 Cb -0.01 -2.18 -0.04 0.00 1.34 0.00 0.00 72.50 71.61 3cfa s THR 89 CO 0.10 -0.49 -0.06 -1.66 -0.54 0.00 0.00 174.62 171.97 3cfa s TRP 90 N -2.99 0.70 -0.01 3.99 1.48 -0.45 -0.66 118.94 120.99 3cfa s TRP 90 Ca 0.25 -0.86 -0.01 0.00 -1.06 0.00 0.00 56.10 54.42 3cfa s TRP 90 Cb 0.01 -0.44 0.00 0.00 -1.16 0.00 0.00 33.47 31.88 3cfa s TRP 90 CO 0.09 -0.20 0.04 -1.83 -4.06 0.00 0.00 176.95 170.98 3cfa s GLU 91 N -3.29 0.06 -0.13 3.25 -1.05 -0.55 -0.64 118.70 116.34 3cfa s GLU 91 Ca 0.05 0.02 -0.15 0.00 -0.15 0.00 0.00 54.97 54.73 3cfa s GLU 91 Cb 0.02 0.03 0.04 0.00 -0.44 0.00 0.00 34.13 33.78 3cfa s GLU 91 CO -0.05 -0.01 0.42 0.50 0.95 0.00 0.00 175.26 177.07 3cfa s ARG 92 N -0.06 0.54 -0.14 -4.83 3.52 -0.48 -1.35 118.95 116.15 3cfa s ARG 92 Ca -0.01 0.47 0.02 0.00 -0.13 0.00 0.00 55.73 56.08 3cfa s ARG 92 Cb -0.01 0.26 0.01 0.00 -1.56 0.00 0.00 34.95 33.65 3cfa s ARG 92 CO 0.00 -0.09 -0.21 0.99 -0.81 0.00 0.00 175.30 175.18 3cfa s THR 93 N -0.05 2.00 -0.24 4.11 2.01 -0.87 -0.89 115.64 121.71 3cfa s THR 93 Ca -0.02 -0.94 -0.09 0.00 0.31 0.00 0.00 61.69 60.94 3cfa s THR 93 Cb -0.03 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 3cfa s THR 93 CO 0.01 0.54 0.12 -0.89 -0.69 0.00 0.00 174.62 173.72 3cfa s THR 94 N 0.86 4.96 -0.23 -0.82 2.01 0.21 -1.33 115.64 121.30 3cfa s THR 94 Ca -0.06 0.04 -0.08 0.00 0.31 0.00 0.00 61.69 61.90 3cfa s THR 94 Cb -0.15 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 3cfa s THR 94 CO -0.03 0.34 0.08 0.42 -0.69 0.00 0.00 174.62 174.75 3cfa s THR 95 N 1.22 4.50 0.10 -0.82 -4.23 -0.11 -0.88 115.64 115.43 3cfa s THR 95 Ca 0.06 -0.11 -0.09 0.00 -1.18 0.00 0.00 61.69 60.37 3cfa s THR 95 Cb -0.14 -3.09 -0.06 0.00 1.34 0.00 0.00 72.50 70.55 3cfa s THR 95 CO 0.05 0.36 0.40 -0.31 -0.54 0.00 0.00 174.62 174.58 3cfa s TYR 96 N 1.29 3.55 0.23 3.99 2.02 0.16 -1.03 117.35 127.57 3cfa s TYR 96 Ca 0.05 0.73 0.36 0.00 -0.37 0.00 0.00 57.07 57.84 3cfa s TYR 96 Cb -0.15 -2.12 1.72 0.00 -0.40 0.00 0.00 41.96 41.01 3cfa s TYR 96 CO 0.04 0.49 2.08 1.05 -1.57 0.00 0.00 175.55 177.64 3cfa h GLU 97 N 3.47 0.00 -0.70 -0.62 4.11 -1.56 -2.12 114.58 117.16 3cfa h GLU 97 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3cfa h GLU 97 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3cfa h GLU 97 CO 0.68 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.36 3cfa n ASP 98 N -2.94 4.37 0.00 3.06 5.75 -1.26 -4.95 116.55 120.58 3cfa n ASP 98 Ca -0.01 -2.23 0.00 0.00 -0.01 0.00 0.00 54.79 52.54 3cfa n ASP 98 Cb 0.19 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 3cfa n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cfa n GLY 99 N 1.40 1.13 3.78 6.12 0.00 -0.80 -4.59 105.19 112.24 3cfa n GLY 99 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 3cfa n GLY 99 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cfa s GLY 100 N -2.11 2.54 -0.01 -0.02 0.00 -1.20 -4.65 107.32 101.87 3cfa s GLY 100 Ca 0.00 0.73 0.04 0.00 0.00 0.00 0.00 44.72 45.49 3cfa s GLY 100 CO 0.00 1.08 -0.13 -1.36 0.00 0.00 0.00 173.10 172.69 3cfa s PHE 101 N -1.90 1.19 -0.19 1.90 0.08 -0.31 -0.66 117.98 118.09 3cfa s PHE 101 Ca 0.71 -0.23 -0.01 0.00 0.12 0.00 0.00 56.93 57.51 3cfa s PHE 101 Cb -0.22 -0.77 0.05 0.00 -0.57 0.00 0.00 43.02 41.52 3cfa s PHE 101 CO 0.27 -0.03 -0.01 -1.17 -0.10 0.00 0.00 175.22 174.18 3cfa s LEU 102 N -0.27 1.64 -0.08 -0.37 1.98 -0.06 -1.14 118.68 120.39 3cfa s LEU 102 Ca 0.04 -0.84 -0.00 0.00 -2.89 0.00 0.00 54.13 50.44 3cfa s LEU 102 Cb -0.06 -0.83 -0.03 0.00 0.66 0.00 0.00 46.19 45.94 3cfa s LEU 102 CO -0.00 -0.25 -0.06 -0.89 -1.89 0.00 0.00 176.35 173.26 3cfa s THR 103 N 1.68 3.80 0.01 3.68 2.01 0.27 -0.62 115.64 126.47 3cfa s THR 103 Ca -0.02 -0.44 -0.03 0.00 0.31 0.00 0.00 61.69 61.52 3cfa s THR 103 Cb -0.17 -2.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.76 3cfa s THR 103 CO -0.07 0.58 0.03 0.00 -0.69 0.00 0.00 174.62 174.47 3cfa s ALA 104 N -0.62 -0.05 -0.04 7.40 0.00 -0.07 -0.70 121.76 127.68 3cfa s ALA 104 Ca 0.09 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 51.73 3cfa s ALA 104 Cb -0.12 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.12 3cfa s ALA 104 CO 0.02 -0.16 -0.14 -1.58 0.00 0.00 0.00 175.76 173.90 3cfa s HIS 105 N -1.27 1.43 -0.01 0.00 2.46 -0.59 -1.39 115.29 115.91 3cfa s HIS 105 Ca -0.14 -0.41 0.04 0.00 0.47 0.00 0.00 55.06 55.03 3cfa s HIS 105 Cb -0.08 -0.99 -0.01 0.00 -0.13 0.00 0.00 32.58 31.37 3cfa s HIS 105 CO -0.00 -0.15 -0.13 -1.14 -2.47 0.00 0.00 174.74 170.84 3cfa s GLN 106 N 0.14 1.15 -0.14 2.88 -0.44 0.18 -1.04 119.66 122.39 3cfa s GLN 106 Ca -0.04 -0.48 -0.00 0.00 -2.50 0.00 0.00 55.36 52.34 3cfa s GLN 106 Cb -0.11 -1.09 -0.01 0.00 -1.64 0.00 0.00 33.01 30.16 3cfa s GLN 106 CO 0.02 0.27 -0.14 0.34 0.50 0.00 0.00 175.29 176.28 3cfa s ASP 107 N -0.24 3.86 -0.17 6.67 -1.08 0.13 -1.35 116.67 124.50 3cfa s ASP 107 Ca 0.04 -0.39 -0.01 0.00 -0.52 0.00 0.00 52.55 51.66 3cfa s ASP 107 Cb -0.06 -1.59 -0.01 0.00 -1.46 0.00 0.00 42.92 39.80 3cfa s ASP 107 CO -0.00 0.13 -0.12 -0.89 0.52 0.00 0.00 175.17 174.81 3cfa s THR 108 N 0.57 2.94 0.14 1.71 2.01 0.28 -1.40 115.64 121.90 3cfa s THR 108 Ca -0.08 -0.67 0.06 0.00 0.31 0.00 0.00 61.69 61.30 3cfa s THR 108 Cb -0.16 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 3cfa s THR 108 CO 0.03 0.50 -0.13 -0.44 -0.69 0.00 0.00 174.62 173.89 3cfa s SER 109 N 0.86 2.03 -0.25 3.53 0.01 -0.53 -2.14 113.70 117.22 3cfa s SER 109 Ca -0.03 -0.90 -0.06 0.00 1.31 0.00 0.00 55.95 56.27 3cfa s SER 109 Cb -0.15 -0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.00 3cfa s SER 109 CO -0.00 -0.20 0.03 -0.22 0.41 0.00 0.00 173.24 173.26 3cfa s LEU 110 N -2.77 3.30 -0.46 2.44 2.96 -1.26 -0.63 118.68 122.26 3cfa s LEU 110 Ca 0.13 -0.37 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 3cfa s LEU 110 Cb -0.02 -1.84 0.12 0.00 0.50 0.00 0.00 46.19 44.95 3cfa s LEU 110 CO 0.03 -0.06 0.20 -0.62 -1.32 0.00 0.00 176.35 174.59 3cfa s ASP 111 N 1.54 4.33 1.45 3.68 2.15 -1.26 -5.00 116.67 123.56 3cfa s ASP 111 Ca 0.05 -2.73 0.00 0.00 0.43 0.00 0.00 52.55 50.30 3cfa s ASP 111 Cb -0.15 -1.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.93 3cfa s ASP 111 CO 0.01 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 3cfa n GLY 112 N 3.47 1.68 2.77 2.66 0.00 -1.26 -4.74 105.19 109.77 3cfa n GLY 112 Ca 0.05 0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3cfa n GLY 112 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cfa n ASP 113 N 10.70 6.15 -3.95 1.61 5.68 -1.26 -5.20 116.55 130.29 3cfa n ASP 113 Ca 0.00 -3.70 -0.17 0.00 -0.50 0.00 0.00 54.79 50.42 3cfa n ASP 113 Cb 0.00 -0.90 -0.15 0.00 -1.14 0.00 0.00 41.12 38.93 3cfa n ASP 113 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3cfa s LEU 115 N -3.96 1.81 -0.17 -2.12 1.43 -1.26 -5.20 118.68 109.21 3cfa s LEU 115 Ca 0.44 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 3cfa s LEU 115 Cb 0.25 -0.36 0.02 0.00 0.03 0.00 0.00 46.19 46.13 3cfa s LEU 115 CO -0.15 0.04 -0.18 -0.69 0.23 0.00 0.00 176.35 175.60 3cfa s VAL 116 N 0.16 1.89 -0.13 -1.59 1.01 0.20 -4.95 120.40 116.99 3cfa s VAL 116 Ca -0.02 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 3cfa s VAL 116 Cb -0.06 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 3cfa s VAL 116 CO -0.00 0.51 -0.01 -0.31 0.00 0.00 0.00 175.10 175.29 3cfa s TYR 117 N 1.33 3.10 -0.16 5.22 2.02 -1.26 -1.45 117.35 126.16 3cfa s TYR 117 Ca 0.04 -0.05 0.00 0.00 -0.37 0.00 0.00 57.07 56.70 3cfa s TYR 117 Cb -0.13 -1.90 0.03 0.00 -0.40 0.00 0.00 41.96 39.55 3cfa s TYR 117 CO -0.12 0.19 -0.12 0.21 -1.57 0.00 0.00 175.55 174.14 3cfa s LYS 118 N -0.14 2.10 -0.04 -0.62 2.20 -0.50 -4.98 119.74 117.76 3cfa s LYS 118 Ca 0.04 -0.58 0.06 0.00 -0.36 0.00 0.00 55.97 55.13 3cfa s LYS 118 Cb -0.13 -2.11 -0.01 0.00 -1.51 0.00 0.00 37.83 34.08 3cfa s LYS 118 CO 0.02 -0.29 -0.22 0.08 -0.36 0.00 0.00 175.35 174.58 3cfa s VAL 119 N 1.50 1.79 -0.06 4.02 1.01 -1.26 -0.70 120.40 126.70 3cfa s VAL 119 Ca 0.03 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.14 3cfa s VAL 119 Cb -0.14 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 3cfa s VAL 119 CO -0.10 0.50 -0.22 -0.54 0.00 0.00 0.00 175.10 174.74 3cfa s LYS 120 N -0.18 2.61 -0.03 2.72 1.02 -0.21 -5.00 119.74 120.67 3cfa s LYS 120 Ca -0.01 -0.85 0.03 0.00 0.02 0.00 0.00 55.97 55.16 3cfa s LYS 120 Cb -0.12 -2.24 0.00 0.00 -0.52 0.00 0.00 37.83 34.95 3cfa s LYS 120 CO 0.02 0.41 -0.11 0.42 -0.92 0.00 0.00 175.35 175.17 3cfa s ILE 121 N -0.22 0.94 -0.13 2.17 1.01 -1.26 -1.55 121.20 122.16 3cfa s ILE 121 Ca -0.01 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 3cfa s ILE 121 Cb -0.13 -0.83 0.04 0.00 0.01 0.00 0.00 42.46 41.55 3cfa s ILE 121 CO 0.03 0.29 -0.01 -0.76 0.00 0.00 0.00 174.94 174.49 3cfa s LEU 122 N 0.15 1.08 0.01 2.97 1.43 0.12 -5.01 118.68 119.42 3cfa s LEU 122 Ca -0.03 -0.46 0.07 0.00 -1.03 0.00 0.00 54.13 52.67 3cfa s LEU 122 Cb -0.09 -0.65 -0.03 0.00 0.03 0.00 0.00 46.19 45.45 3cfa s LEU 122 CO 0.01 -0.22 -0.19 -0.83 0.23 0.00 0.00 176.35 175.35 3cfa s GLY 123 N 1.83 1.50 0.17 -3.19 0.00 -1.26 -0.56 107.32 105.81 3cfa s GLY 123 Ca 0.02 -1.14 -0.15 0.00 0.00 0.00 0.00 44.72 43.46 3cfa s GLY 123 CO -0.07 -0.99 0.43 0.54 0.00 0.00 0.00 173.10 173.02 3cfa s ASN 124 N -1.12 -0.17 -1.15 1.64 2.20 -0.29 -4.96 114.94 111.09 3cfa s ASN 124 Ca 0.13 -0.55 0.00 0.00 -0.94 0.00 0.00 52.86 51.50 3cfa s ASN 124 Cb -0.10 0.52 0.00 0.00 -2.00 0.00 0.00 41.25 39.66 3cfa s ASN 124 CO 0.03 -0.97 0.00 0.59 -2.94 0.00 0.00 177.10 173.81 3cfa n ASN 125 N -0.28 -5.08 -4.71 3.54 3.02 -1.26 -1.16 115.26 109.33 3cfa n ASN 125 Ca -0.11 0.27 -0.42 0.00 -0.03 0.00 0.00 54.58 54.29 3cfa n ASN 125 Cb 0.63 -3.54 -0.03 0.00 -0.61 0.00 0.00 39.78 36.23 3cfa n ASN 125 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3cfa s PHE 126 N -2.14 3.23 0.26 3.10 0.08 -1.26 -3.26 117.98 118.00 3cfa s PHE 126 Ca 0.00 1.04 -0.30 0.00 0.12 0.00 0.00 56.93 57.79 3cfa s PHE 126 Cb 0.00 -3.59 -0.11 0.00 -0.57 0.00 0.00 43.02 38.75 3cfa s PHE 126 CO 0.00 -2.04 1.51 -2.14 -0.10 0.00 0.00 175.22 172.45 3cfa s PRO 127 N 1.34 4.20 0.56 0.24 0.02 -1.26 -4.88 135.00 135.22 3cfa s PRO 127 Ca 0.63 2.42 0.24 0.00 0.02 0.00 0.00 61.00 64.31 3cfa s PRO 127 Cb -0.33 -3.07 1.57 0.00 0.02 0.00 0.00 34.50 32.68 3cfa s PRO 127 CO 0.29 -0.52 2.18 0.00 -0.33 0.00 0.00 177.00 178.62 3cfa h ALA 128 N 5.03 1.80 -0.01 -1.55 0.00 -1.98 -1.48 119.26 121.08 3cfa h ALA 128 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3cfa h ALA 128 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3cfa h ALA 128 CO 0.79 -0.08 -0.47 -0.40 0.00 0.00 0.00 179.25 179.09 3cfa n ASP 129 N -4.13 1.16 -4.89 0.00 5.75 -1.26 -4.22 116.55 108.96 3cfa n ASP 129 Ca -0.02 -0.93 -0.30 0.00 -0.01 0.00 0.00 54.79 53.54 3cfa n ASP 129 Cb 0.15 0.37 0.05 0.00 -1.03 0.00 0.00 41.12 40.66 3cfa n ASP 129 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3cfa s GLY 130 N -2.67 1.62 0.59 6.12 0.00 -0.56 -4.83 107.32 107.59 3cfa s GLY 130 Ca 0.18 -0.39 0.29 0.00 0.00 0.00 0.00 44.72 44.80 3cfa s GLY 130 CO 0.62 -0.03 2.24 -0.56 0.00 0.00 0.00 173.10 175.38 3cfa h PRO 131 N -0.61 0.00 0.45 2.90 0.13 -1.91 -1.16 132.00 131.79 3cfa h PRO 131 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 3cfa h PRO 131 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3cfa h PRO 131 CO 0.64 0.00 -0.22 0.28 -0.23 0.00 0.00 178.00 178.47 3cfa h VAL 132 N 0.00 0.31 0.00 1.56 2.07 -1.93 0.10 116.25 118.37 3cfa h VAL 132 Ca 0.01 -0.56 -0.11 0.00 0.82 0.00 0.00 66.70 66.86 3cfa h VAL 132 Cb 0.05 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 3cfa h VAL 132 CO -0.00 0.06 -0.52 0.24 0.02 0.00 0.00 177.57 177.37 3cfa h MET 133 N -1.03 0.00 -0.00 1.57 2.86 -1.71 -2.27 114.93 114.35 3cfa h MET 133 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3cfa h MET 133 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 3cfa h MET 133 CO 0.10 0.52 -0.00 1.04 1.06 0.00 0.00 176.91 179.63 3cfa n GLN 134 N -3.65 0.39 -3.65 1.72 1.13 -0.45 -4.93 117.38 107.94 3cfa n GLN 134 Ca -0.01 -0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.83 3cfa n GLN 134 Cb 0.58 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 29.49 3cfa n GLN 134 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3cfa n ASN 135 N -1.30 -2.42 -0.96 1.08 2.85 -0.78 -4.92 115.26 108.81 3cfa n ASN 135 Ca 0.14 -0.73 0.01 0.00 -0.11 0.00 0.00 54.58 53.89 3cfa n ASN 135 Cb 0.25 -4.43 0.16 0.00 1.24 0.00 0.00 39.78 37.00 3cfa n ASN 135 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3cfa n LYS 136 N -4.37 1.68 -3.10 1.20 5.02 0.29 -5.04 118.16 113.85 3cfa n LYS 136 Ca -0.22 -3.28 -0.33 0.00 -2.02 0.00 0.00 58.31 52.46 3cfa n LYS 136 Cb 0.64 -1.51 -0.06 0.00 -0.02 0.00 0.00 35.03 34.08 3cfa n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cfa s ALA 137 N -2.91 3.30 -0.17 7.82 0.00 -1.22 -4.20 121.76 124.39 3cfa s ALA 137 Ca 0.39 0.10 0.17 0.00 0.00 0.00 0.00 51.96 52.62 3cfa s ALA 137 Cb 0.38 -2.82 0.46 0.00 0.00 0.00 0.00 23.12 21.14 3cfa s ALA 137 CO -0.07 0.31 1.35 0.41 0.00 0.00 0.00 175.76 177.76 3cfa n GLY 138 N -0.23 4.31 0.00 0.00 0.00 0.12 -5.00 105.19 104.38 3cfa n GLY 138 Ca 0.03 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.97 3cfa n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfa n GLY 139 N -0.80 0.05 3.88 -0.02 0.00 -1.26 -4.72 105.19 102.33 3cfa n GLY 139 Ca 0.20 -1.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.00 3cfa n GLY 139 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3cfa s TRP 140 N -1.53 3.59 0.77 1.61 0.52 -1.26 -0.57 118.94 122.07 3cfa s TRP 140 Ca 0.00 0.61 -0.11 0.00 0.02 0.00 0.00 56.10 56.62 3cfa s TRP 140 Cb 0.00 -2.02 0.06 0.00 -1.15 0.00 0.00 33.47 30.36 3cfa s TRP 140 CO 0.00 0.61 1.10 -1.21 0.02 0.00 0.00 176.95 177.47 3cfa s GLU 141 N -1.68 2.24 0.83 4.98 0.41 -0.66 -4.80 118.70 120.03 3cfa s GLU 141 Ca 0.27 1.20 -0.13 0.00 -0.41 0.00 0.00 54.97 55.90 3cfa s GLU 141 Cb -0.13 -1.89 0.08 0.00 -1.78 0.00 0.00 34.13 30.41 3cfa s GLU 141 CO 0.15 -1.66 1.09 -2.30 -0.49 0.00 0.00 175.26 172.05 3cfa n PRO 142 N -3.46 0.03 -4.06 0.39 -0.02 -1.26 -4.74 135.00 121.88 3cfa n PRO 142 Ca 0.09 0.09 -0.08 0.00 -2.02 0.00 0.00 63.50 61.58 3cfa n PRO 142 Cb 0.53 -2.34 -0.09 0.00 -0.02 0.00 0.00 33.50 31.57 3cfa n PRO 142 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3cfa s SER 143 N -2.16 0.33 -0.12 2.55 1.04 0.00 -4.87 113.70 110.48 3cfa s SER 143 Ca 0.70 -1.01 0.02 0.00 0.48 0.00 0.00 55.95 56.15 3cfa s SER 143 Cb -0.28 0.28 0.01 0.00 0.10 0.00 0.00 66.02 66.13 3cfa s SER 143 CO 0.54 -0.69 -0.16 0.00 0.98 0.00 0.00 173.24 173.91 3cfa s GLU 145 N 1.00 3.02 -0.13 0.00 2.12 0.44 -4.24 118.70 120.91 3cfa s GLU 145 Ca -0.06 -0.49 -0.08 0.00 0.36 0.00 0.00 54.97 54.70 3cfa s GLU 145 Cb -0.15 -2.73 -0.04 0.00 0.26 0.00 0.00 34.13 31.47 3cfa s GLU 145 CO -0.02 0.59 0.16 0.96 -0.54 0.00 0.00 175.26 176.41 3cfa s ILE 146 N -0.60 5.45 -0.00 -3.70 -4.36 0.09 -0.36 121.20 117.72 3cfa s ILE 146 Ca 0.09 0.26 0.04 0.00 -0.26 0.00 0.00 60.65 60.78 3cfa s ILE 146 Cb -0.12 -3.44 -0.01 0.00 1.25 0.00 0.00 42.46 40.14 3cfa s ILE 146 CO 0.02 0.57 -0.12 -0.76 0.24 0.00 0.00 174.94 174.89 3cfa s LEU 147 N -0.69 2.04 0.04 0.37 1.02 -0.16 -1.12 118.68 120.18 3cfa s LEU 147 Ca 0.14 -0.25 -0.27 0.00 0.02 0.00 0.00 54.13 53.77 3cfa s LEU 147 Cb -0.12 -0.62 0.09 0.00 0.02 0.00 0.00 46.19 45.56 3cfa s LEU 147 CO 0.03 0.13 0.77 -0.72 0.02 0.00 0.00 176.35 176.59 3cfa s TYR 148 N -0.36 -0.44 0.07 0.29 -0.85 -0.66 -1.54 117.35 113.87 3cfa s TYR 148 Ca 0.04 0.34 -0.31 0.00 -0.52 0.00 0.00 57.07 56.62 3cfa s TYR 148 Cb -0.05 0.53 -0.06 0.00 0.38 0.00 0.00 41.96 42.76 3cfa s TYR 148 CO -0.00 -0.65 1.31 -2.00 -1.52 0.00 0.00 175.55 172.69 3cfa s GLU 149 N -3.11 4.36 -0.03 -3.49 2.12 -1.26 -0.77 118.70 116.51 3cfa s GLU 149 Ca 0.02 1.93 0.00 0.00 0.36 0.00 0.00 54.97 57.28 3cfa s GLU 149 Cb -0.01 -3.36 0.03 0.00 0.26 0.00 0.00 34.13 31.05 3cfa s GLU 149 CO -0.09 -0.40 -0.00 0.08 -0.54 0.00 0.00 175.26 174.31 3cfa s VAL 150 N 1.37 0.20 -1.45 3.70 1.01 -0.32 -4.89 120.40 120.02 3cfa s VAL 150 Ca 0.62 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.65 3cfa s VAL 150 Cb -0.33 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 35.77 3cfa s VAL 150 CO 0.29 0.15 0.21 0.47 0.00 0.00 0.00 175.10 176.21 3cfa n ASP 151 N 4.13 -5.07 0.00 3.32 8.00 -1.26 -1.34 116.55 124.32 3cfa n ASP 151 Ca -0.26 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.17 3cfa n ASP 151 Cb 0.50 -4.21 0.00 0.00 -0.02 0.00 0.00 41.12 37.40 3cfa n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cfa n GLY 152 N -1.09 0.51 3.01 0.44 0.00 -1.26 -5.01 105.19 101.80 3cfa n GLY 152 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 3cfa n GLY 152 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3cfa n VAL 153 N -2.48 0.00 -4.03 1.61 0.24 -0.45 -4.97 118.33 108.24 3cfa n VAL 153 Ca 0.00 -2.01 -0.35 0.00 -2.04 0.00 0.00 64.34 59.94 3cfa n VAL 153 Cb 0.08 0.45 -0.12 0.00 -1.47 0.00 0.00 33.84 32.78 3cfa n VAL 153 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3cfa s LEU 154 N 0.00 3.29 -0.06 1.34 2.96 -0.98 -1.17 118.68 124.05 3cfa s LEU 154 Ca 0.03 -0.20 -0.04 0.00 -0.22 0.00 0.00 54.13 53.70 3cfa s LEU 154 Cb 0.00 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 3cfa s LEU 154 CO 0.02 0.06 0.15 0.00 -1.32 0.00 0.00 176.35 175.25 3cfa s GLY 156 N -1.46 0.60 -0.02 0.00 0.00 -0.17 -1.65 107.32 104.62 3cfa s GLY 156 Ca 0.21 -0.51 0.01 0.00 0.00 0.00 0.00 44.72 44.43 3cfa s GLY 156 CO 0.11 -0.40 -0.03 1.20 0.00 0.00 0.00 173.10 173.98 3cfa s GLN 157 N -0.22 0.44 -0.01 2.90 -1.52 -0.28 -0.78 119.66 120.20 3cfa s GLN 157 Ca 0.04 -0.10 -0.23 0.00 -1.95 0.00 0.00 55.36 53.12 3cfa s GLN 157 Cb -0.05 -0.48 0.05 0.00 -0.22 0.00 0.00 33.01 32.30 3cfa s GLN 157 CO -0.00 0.01 0.51 -1.54 -0.25 0.00 0.00 175.29 174.02 3cfa s SER 158 N 0.36 -0.44 -0.12 5.90 1.04 -1.03 -0.73 113.70 118.69 3cfa s SER 158 Ca -0.04 0.34 -0.02 0.00 0.48 0.00 0.00 55.95 56.71 3cfa s SER 158 Cb -0.07 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 3cfa s SER 158 CO -0.00 -0.60 -0.02 -0.76 0.98 0.00 0.00 173.24 172.84 3cfa s LEU 159 N -1.50 3.40 0.21 2.42 1.43 -1.26 0.02 118.68 123.40 3cfa s LEU 159 Ca -0.10 0.01 0.09 0.00 -1.03 0.00 0.00 54.13 53.10 3cfa s LEU 159 Cb -0.02 -1.79 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 3cfa s LEU 159 CO 0.04 0.28 -0.17 -0.04 0.23 0.00 0.00 176.35 176.70 3cfa s MET 160 N -0.31 1.41 -0.14 1.70 -1.94 -0.36 -4.50 119.30 115.17 3cfa s MET 160 Ca 0.06 -1.59 -0.01 0.00 -1.71 0.00 0.00 55.69 52.44 3cfa s MET 160 Cb -0.12 -1.35 0.04 0.00 2.01 0.00 0.00 34.83 35.40 3cfa s MET 160 CO 0.02 0.25 -0.04 0.00 -0.01 0.00 0.00 175.02 175.24 3cfa s ALA 161 N -2.60 1.24 -0.10 3.03 0.00 -1.26 -1.27 121.76 120.79 3cfa s ALA 161 Ca 0.23 -0.60 -0.24 0.00 0.00 0.00 0.00 51.96 51.35 3cfa s ALA 161 Cb -0.03 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 3cfa s ALA 161 CO 0.09 -0.66 0.74 -1.17 0.00 0.00 0.00 175.76 174.76 3cfa s LEU 162 N 1.74 4.26 0.14 0.00 2.96 0.36 -1.65 118.68 126.50 3cfa s LEU 162 Ca 0.03 1.17 -0.31 0.00 -0.22 0.00 0.00 54.13 54.80 3cfa s LEU 162 Cb -0.14 -3.13 -0.08 0.00 0.50 0.00 0.00 46.19 43.34 3cfa s LEU 162 CO -0.07 -0.21 1.29 -0.54 -1.32 0.00 0.00 176.35 175.49 3cfa s LYS 163 N 1.28 4.40 0.27 1.98 1.02 0.27 -0.69 119.74 128.26 3cfa s LYS 163 Ca 0.38 1.96 0.10 0.00 0.02 0.00 0.00 55.97 58.43 3cfa s LYS 163 Cb -0.17 -3.25 -0.05 0.00 -0.52 0.00 0.00 37.83 33.83 3cfa s LYS 163 CO 0.16 -0.28 -0.15 0.00 -0.92 0.00 0.00 175.35 174.16 3cfa s PRO 165 N -3.59 3.72 0.00 0.00 0.02 -1.26 -2.89 135.00 131.01 3cfa s PRO 165 Ca 0.28 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.72 3cfa s PRO 165 Cb -0.02 -2.68 0.00 0.00 0.02 0.00 0.00 34.50 31.82 3cfa s PRO 165 CO 0.13 -0.79 0.00 0.41 -0.33 0.00 0.00 177.00 176.42 3cfa n GLY 166 N 0.57 0.60 2.40 0.52 0.00 -1.26 -3.93 105.19 104.10 3cfa n GLY 166 Ca 0.05 -0.78 -0.05 0.00 0.00 0.00 0.00 46.02 45.24 3cfa n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfa n GLY 167 N -2.31 0.72 3.90 -0.02 0.00 -1.18 -5.02 105.19 101.29 3cfa n GLY 167 Ca 0.00 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 3cfa n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cfa s ARG 168 N -1.93 2.91 0.08 1.61 0.52 -1.14 -4.91 118.95 116.09 3cfa s ARG 168 Ca 0.00 0.23 0.05 0.00 -0.52 0.00 0.00 55.73 55.49 3cfa s ARG 168 Cb 0.00 -2.15 -0.03 0.00 0.52 0.00 0.00 34.95 33.29 3cfa s ARG 168 CO 0.00 -0.85 -0.13 -1.01 0.02 0.00 0.00 175.30 173.33 3cfa s HIS 169 N -3.17 1.16 -0.19 -0.53 3.76 -1.26 -0.50 115.29 114.56 3cfa s HIS 169 Ca 0.56 -0.51 0.01 0.00 -0.15 0.00 0.00 55.06 54.97 3cfa s HIS 169 Cb -0.11 -0.64 0.03 0.00 1.11 0.00 0.00 32.58 32.97 3cfa s HIS 169 CO 0.48 0.05 -0.16 -1.17 -0.85 0.00 0.00 174.74 173.09 3cfa s LEU 170 N -1.96 2.26 0.40 0.89 2.96 0.13 -4.92 118.68 118.44 3cfa s LEU 170 Ca 0.00 -0.77 -0.01 0.00 -0.22 0.00 0.00 54.13 53.14 3cfa s LEU 170 Cb -0.08 -1.39 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 3cfa s LEU 170 CO 0.02 -0.06 0.62 0.54 -1.32 0.00 0.00 176.35 176.15 3cfa s ASN 171 N 1.32 6.16 0.14 3.68 2.20 -1.26 -0.49 114.94 126.69 3cfa s ASN 171 Ca 0.02 0.49 -0.15 0.00 -0.94 0.00 0.00 52.86 52.29 3cfa s ASN 171 Cb -0.15 -1.94 0.02 0.00 -2.00 0.00 0.00 41.25 37.19 3cfa s ASN 171 CO -0.11 -0.46 0.39 0.00 -2.94 0.00 0.00 177.10 173.98 3cfa s ARG 173 N -3.85 2.71 -0.26 0.00 3.52 -0.20 -1.22 118.95 119.65 3cfa s ARG 173 Ca 0.06 -0.76 -0.13 0.00 -0.13 0.00 0.00 55.73 54.78 3cfa s ARG 173 Cb 0.02 -2.08 -0.05 0.00 -1.56 0.00 0.00 34.95 31.28 3cfa s ARG 173 CO -0.08 0.13 0.26 -0.51 -0.81 0.00 0.00 175.30 174.28 3cfa s LEU 174 N 0.45 4.07 -0.41 -0.88 1.02 0.10 -0.93 118.68 122.10 3cfa s LEU 174 Ca -0.17 0.17 -0.07 0.00 0.02 0.00 0.00 54.13 54.07 3cfa s LEU 174 Cb -0.17 -2.25 0.08 0.00 0.02 0.00 0.00 46.19 43.87 3cfa s LEU 174 CO 0.07 -0.06 0.23 -1.00 0.02 0.00 0.00 176.35 175.61 3cfa s HIS 175 N 1.61 3.38 -0.00 0.29 3.76 -0.44 -2.45 115.29 121.43 3cfa s HIS 175 Ca 0.11 -1.74 0.07 0.00 -0.15 0.00 0.00 55.06 53.35 3cfa s HIS 175 Cb -0.15 -2.96 -0.02 0.00 1.11 0.00 0.00 32.58 30.55 3cfa s HIS 175 CO 0.09 -0.88 -0.23 0.99 -0.85 0.00 0.00 174.74 173.86 3cfa s THR 176 N 1.35 2.34 -0.12 1.30 2.01 0.04 -2.05 115.64 120.52 3cfa s THR 176 Ca 0.03 -1.12 0.02 0.00 0.31 0.00 0.00 61.69 60.94 3cfa s THR 176 Cb -0.23 -1.88 0.01 0.00 0.01 0.00 0.00 72.50 70.41 3cfa s THR 176 CO 0.00 0.50 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.35 3cfa s THR 177 N -0.72 1.82 -0.17 -0.82 2.01 -0.46 -1.00 115.64 116.30 3cfa s THR 177 Ca 0.11 -0.84 -0.07 0.00 0.31 0.00 0.00 61.69 61.20 3cfa s THR 177 Cb -0.10 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 3cfa s THR 177 CO 0.01 0.50 0.07 -0.31 -0.69 0.00 0.00 174.62 174.20 3cfa s TYR 178 N 0.85 3.30 -0.24 4.92 2.02 0.15 -1.49 117.35 126.86 3cfa s TYR 178 Ca -0.08 0.15 -0.00 0.00 -0.37 0.00 0.00 57.07 56.77 3cfa s TYR 178 Cb -0.15 -2.06 0.07 0.00 -0.40 0.00 0.00 41.96 39.41 3cfa s TYR 178 CO -0.01 0.24 -0.01 1.03 -1.57 0.00 0.00 175.55 175.23 3cfa s ARG 179 N 0.17 1.31 0.54 -0.62 0.52 0.16 -2.32 118.95 118.70 3cfa s ARG 179 Ca 0.05 -0.90 -0.21 0.00 -0.52 0.00 0.00 55.73 54.16 3cfa s ARG 179 Cb -0.12 -2.45 -0.05 0.00 0.52 0.00 0.00 34.95 32.85 3cfa s ARG 179 CO 0.00 -0.66 1.23 0.45 0.02 0.00 0.00 175.30 176.34 3cfa s SER 180 N 1.50 5.49 0.00 0.23 0.15 -1.26 -0.68 113.70 119.13 3cfa s SER 180 Ca -0.03 2.44 0.24 0.00 0.70 0.00 0.00 55.95 59.31 3cfa s SER 180 Cb -0.18 -2.61 0.75 0.00 -1.71 0.00 0.00 66.02 62.27 3cfa s SER 180 CO -0.08 -1.39 1.57 0.29 1.20 0.00 0.00 173.24 174.82 3cfa n LYS 181 N -1.16 1.87 -3.17 5.44 5.02 -0.47 -4.86 118.16 120.83 3cfa n LYS 181 Ca 0.11 -1.29 -0.34 0.00 -2.02 0.00 0.00 58.31 54.77 3cfa n LYS 181 Cb 0.48 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 33.98 3cfa n LYS 181 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3cfa s LYS 182 N -1.86 4.08 0.61 1.97 1.02 -1.26 -4.93 119.74 119.37 3cfa s LYS 182 Ca 0.35 0.70 -0.18 0.00 0.02 0.00 0.00 55.97 56.85 3cfa s LYS 182 Cb 0.20 -2.68 -0.02 0.00 -0.52 0.00 0.00 37.83 34.80 3cfa s LYS 182 CO 0.30 0.30 1.19 -1.25 -0.92 0.00 0.00 175.35 174.97 3cfa s PRO 183 N -2.46 2.87 0.50 -1.68 0.04 -1.26 -4.92 135.00 128.10 3cfa s PRO 183 Ca 0.47 1.77 0.20 0.00 0.04 0.00 0.00 61.00 63.48 3cfa s PRO 183 Cb -0.13 -1.92 1.25 0.00 0.04 0.00 0.00 34.50 33.74 3cfa s PRO 183 CO 0.19 -1.27 2.02 0.00 0.04 0.00 0.00 177.00 177.98 3cfa h ALA 184 N 0.68 2.25 0.00 8.56 0.00 -1.94 -1.64 119.26 127.18 3cfa h ALA 184 Ca -0.50 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 3cfa h ALA 184 Cb 1.29 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3cfa h ALA 184 CO 0.54 -0.37 -0.00 0.66 0.00 0.00 0.00 179.25 180.08 3cfa h SER 185 N 0.14 0.00 -0.37 0.00 4.64 -2.02 -2.06 113.55 113.88 3cfa h SER 185 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3cfa h SER 185 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3cfa h SER 185 CO -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 3cfa n ALA 186 N -2.28 2.43 -2.43 5.18 0.00 -0.62 -4.98 120.51 117.81 3cfa n ALA 186 Ca -0.03 -0.97 -0.29 0.00 0.00 0.00 0.00 53.44 52.15 3cfa n ALA 186 Cb 0.08 -0.88 -0.16 0.00 0.00 0.00 0.00 19.45 18.49 3cfa n ALA 186 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3cfa s LEU 187 N -1.51 2.04 -0.37 0.00 1.43 -0.78 -5.04 118.68 114.45 3cfa s LEU 187 Ca 0.38 -0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 52.91 3cfa s LEU 187 Cb 0.23 -1.21 -0.00 0.00 0.03 0.00 0.00 46.19 45.24 3cfa s LEU 187 CO 0.32 0.28 0.31 -0.75 0.23 0.00 0.00 176.35 176.73 3cfa s LYS 188 N -0.48 3.32 -0.03 1.70 2.47 -1.26 -4.99 119.74 120.48 3cfa s LYS 188 Ca 0.07 -0.70 -0.29 0.00 -1.56 0.00 0.00 55.97 53.48 3cfa s LYS 188 Cb -0.10 -3.87 -0.03 0.00 -1.46 0.00 0.00 37.83 32.37 3cfa s LYS 188 CO -0.00 -0.60 0.96 -1.64 0.16 0.00 0.00 175.35 174.23 3cfa s MET 189 N 1.84 4.52 0.69 4.03 -1.94 -1.26 -4.70 119.30 122.49 3cfa s MET 189 Ca 0.08 1.37 -0.14 0.00 -1.71 0.00 0.00 55.69 55.29 3cfa s MET 189 Cb -0.18 -3.48 0.02 0.00 2.01 0.00 0.00 34.83 33.21 3cfa s MET 189 CO 0.11 -0.09 1.13 -1.25 -0.01 0.00 0.00 175.02 174.90 3cfa s PRO 190 N 1.19 2.56 0.85 2.03 0.04 -1.26 -4.92 135.00 135.48 3cfa s PRO 190 Ca 0.50 1.44 -0.12 0.00 0.04 0.00 0.00 61.00 62.87 3cfa s PRO 190 Cb -0.20 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 32.52 3cfa s PRO 190 CO 0.25 -1.45 1.12 -1.21 0.04 0.00 0.00 177.00 175.75 3cfa s GLU 191 N -4.16 1.68 0.02 4.56 0.41 -1.26 -4.52 118.70 115.44 3cfa s GLU 191 Ca 0.68 0.43 -0.38 0.00 -0.41 0.00 0.00 54.97 55.29 3cfa s GLU 191 Cb -0.22 -1.89 -0.17 0.00 -1.78 0.00 0.00 34.13 30.07 3cfa s GLU 191 CO 0.44 -1.85 1.39 0.34 -0.49 0.00 0.00 175.26 175.09 3cfa n PHE 192 N -3.55 1.54 -3.93 1.61 7.35 -1.26 -4.80 117.46 114.41 3cfa n PHE 192 Ca 0.07 0.66 -0.10 0.00 -0.76 0.00 0.00 57.45 57.31 3cfa n PHE 192 Cb 0.58 -2.33 -0.01 0.00 0.35 0.00 0.00 39.48 38.06 3cfa n PHE 192 CO 0.00 0.00 0.00 -3.38 -0.76 0.00 0.00 176.76 172.62 3cfa s HIS 193 N 0.93 0.42 0.11 -5.13 -3.43 -0.59 -4.94 115.29 102.66 3cfa s HIS 193 Ca 0.87 -0.88 0.09 0.00 -0.80 0.00 0.00 55.06 54.34 3cfa s HIS 193 Cb -1.00 0.43 -0.04 0.00 -1.43 0.00 0.00 32.58 30.54 3cfa s HIS 193 CO 0.51 -1.30 -0.18 -0.06 -2.00 0.00 0.00 174.74 171.71 3cfa s PHE 194 N -3.02 2.54 -0.14 0.38 0.08 -0.11 -0.99 117.98 116.73 3cfa s PHE 194 Ca 0.21 -0.26 -0.00 0.00 0.12 0.00 0.00 56.93 57.00 3cfa s PHE 194 Cb -0.03 -1.36 0.03 0.00 -0.57 0.00 0.00 43.02 41.09 3cfa s PHE 194 CO 0.13 0.37 -0.09 -2.00 -0.10 0.00 0.00 175.22 173.53 3cfa s GLU 195 N -2.06 1.78 -0.08 0.44 2.12 0.51 -0.80 118.70 120.61 3cfa s GLU 195 Ca 0.18 -0.43 -0.22 0.00 0.36 0.00 0.00 54.97 54.86 3cfa s GLU 195 Cb -0.11 -1.88 -0.04 0.00 0.26 0.00 0.00 34.13 32.37 3cfa s GLU 195 CO 0.10 -0.30 0.62 -0.51 -0.54 0.00 0.00 175.26 174.63 3cfa s ASP 196 N 1.61 6.89 -0.01 -1.70 1.01 0.27 -0.42 116.67 124.31 3cfa s ASP 196 Ca 0.04 1.06 0.06 0.00 0.71 0.00 0.00 52.55 54.42 3cfa s ASP 196 Cb -0.13 -2.37 -0.02 0.00 1.01 0.00 0.00 42.92 41.41 3cfa s ASP 196 CO -0.09 -0.07 -0.20 -1.00 0.21 0.00 0.00 175.17 174.02 3cfa s HIS 197 N 0.70 1.82 -0.09 4.23 3.76 0.34 -1.66 115.29 124.40 3cfa s HIS 197 Ca 0.33 -0.34 -0.00 0.00 -0.15 0.00 0.00 55.06 54.90 3cfa s HIS 197 Cb -0.17 -1.17 0.02 0.00 1.11 0.00 0.00 32.58 32.37 3cfa s HIS 197 CO 0.15 -0.03 -0.05 0.50 -0.85 0.00 0.00 174.74 174.46 3cfa s ARG 198 N -0.49 1.16 -0.15 1.40 3.52 -0.49 -0.82 118.95 123.09 3cfa s ARG 198 Ca 0.08 -0.13 0.00 0.00 -0.13 0.00 0.00 55.73 55.55 3cfa s ARG 198 Cb -0.08 -1.28 -0.01 0.00 -1.56 0.00 0.00 34.95 32.03 3cfa s ARG 198 CO -0.01 -0.23 -0.15 0.42 -0.81 0.00 0.00 175.30 174.53 3cfa s ILE 199 N 1.60 2.78 -0.06 4.11 1.01 -1.26 -1.89 121.20 127.50 3cfa s ILE 199 Ca 0.01 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 59.95 3cfa s ILE 199 Cb -0.13 -2.17 0.01 0.00 0.01 0.00 0.00 42.46 40.18 3cfa s ILE 199 CO -0.05 0.52 -0.13 -1.61 0.00 0.00 0.00 174.94 173.67 3cfa s GLU 200 N 0.66 1.63 -0.03 2.79 2.02 0.21 -4.51 118.70 121.48 3cfa s GLU 200 Ca -0.08 -0.44 0.06 0.00 0.02 0.00 0.00 54.97 54.53 3cfa s GLU 200 Cb -0.16 -1.38 -0.01 0.00 0.10 0.00 0.00 34.13 32.68 3cfa s GLU 200 CO 0.02 0.08 -0.21 0.08 0.02 0.00 0.00 175.26 175.26 3cfa s VAL 201 N 0.47 1.67 -0.12 2.63 1.01 -1.26 -0.33 120.40 124.47 3cfa s VAL 201 Ca -0.11 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.00 3cfa s VAL 201 Cb -0.14 -1.40 -0.00 0.00 0.00 0.00 0.00 36.38 34.83 3cfa s VAL 201 CO 0.03 0.47 -0.18 -0.54 0.00 0.00 0.00 175.10 174.88 3cfa s LYS 202 N -0.36 3.20 -0.62 2.72 3.01 0.61 -4.97 119.74 123.33 3cfa s LYS 202 Ca 0.04 -0.78 -0.23 0.00 -1.01 0.00 0.00 55.97 53.99 3cfa s LYS 202 Cb -0.09 -2.49 0.05 0.00 -1.01 0.00 0.00 37.83 34.29 3cfa s LYS 202 CO 0.00 0.14 0.97 -2.00 0.51 0.00 0.00 175.35 174.98 3cfa s GLU 203 N 0.48 3.21 -0.07 1.68 2.12 -1.26 -0.45 118.70 124.40 3cfa s GLU 203 Ca -0.12 -0.55 -0.26 0.00 0.36 0.00 0.00 54.97 54.39 3cfa s GLU 203 Cb -0.17 -4.15 -0.22 0.00 0.26 0.00 0.00 34.13 29.86 3cfa s GLU 203 CO 0.05 -1.69 1.04 0.28 -0.54 0.00 0.00 175.26 174.40 3cfa h VAL 204 N 5.99 1.47 -3.61 3.70 2.07 -0.69 -3.44 116.25 121.75 3cfa h VAL 204 Ca -0.28 -1.58 -0.50 0.00 0.82 0.00 0.00 66.70 65.16 3cfa h VAL 204 Cb 1.07 2.52 -0.32 0.00 -1.52 0.00 0.00 31.29 33.04 3cfa h VAL 204 CO 1.15 0.40 -0.81 -1.58 0.02 0.00 0.00 177.57 176.74 3cfa s GLN 205 N -3.41 1.55 -0.31 1.57 0.74 -0.78 -4.96 119.66 114.07 3cfa s GLN 205 Ca -0.17 -0.43 -0.37 0.00 0.05 0.00 0.00 55.36 54.44 3cfa s GLN 205 Cb -0.00 -1.32 -0.13 0.00 1.10 0.00 0.00 33.01 32.65 3cfa s GLN 205 CO 0.65 0.09 2.01 1.17 -0.55 0.00 0.00 175.29 178.66 3cfa n LYS 206 N 3.57 1.13 -1.04 1.67 4.81 -1.26 -1.34 118.16 125.69 3cfa n LYS 206 Ca -0.21 0.36 -0.01 0.00 -0.87 0.00 0.00 58.31 57.58 3cfa n LYS 206 Cb 0.52 -2.29 -0.01 0.00 0.02 0.00 0.00 35.03 33.28 3cfa n LYS 206 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cfa n GLY 207 N 5.62 0.33 0.80 3.14 0.00 -1.26 -4.75 105.19 109.08 3cfa n GLY 207 Ca 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.33 3cfa n GLY 207 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3cfa n LYS 208 N -0.86 0.00 -4.32 1.61 4.81 -0.45 -5.08 118.16 113.87 3cfa n LYS 208 Ca -0.01 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.18 3cfa n LYS 208 Cb 0.31 -0.45 -0.17 0.00 0.02 0.00 0.00 35.03 34.74 3cfa n LYS 208 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 3cfa s HIS 209 N -1.71 1.39 0.07 5.64 3.76 -0.57 -4.95 115.29 118.92 3cfa s HIS 209 Ca 0.00 -0.57 0.04 0.00 -0.15 0.00 0.00 55.06 54.38 3cfa s HIS 209 Cb 0.00 -1.08 -0.03 0.00 1.11 0.00 0.00 32.58 32.58 3cfa s HIS 209 CO 0.00 -0.35 -0.12 0.71 -0.85 0.00 0.00 174.74 174.14 3cfa s TYR 210 N 1.03 1.02 -0.05 1.40 2.02 -1.26 0.10 117.35 121.61 3cfa s TYR 210 Ca -0.08 -0.50 0.06 0.00 -0.37 0.00 0.00 57.07 56.18 3cfa s TYR 210 Cb -0.15 -0.58 -0.01 0.00 -0.40 0.00 0.00 41.96 40.82 3cfa s TYR 210 CO -0.01 0.00 -0.25 -1.21 -1.57 0.00 0.00 175.55 172.52 3cfa s GLU 211 N -1.85 2.47 -0.05 -0.62 2.02 0.40 -4.90 118.70 116.17 3cfa s GLU 211 Ca -0.03 -0.90 0.02 0.00 0.02 0.00 0.00 54.97 54.08 3cfa s GLU 211 Cb -0.09 -2.15 0.01 0.00 0.10 0.00 0.00 34.13 32.00 3cfa s GLU 211 CO 0.01 0.43 -0.10 -1.14 0.02 0.00 0.00 175.26 174.48 3cfa s GLN 212 N -0.27 1.36 -0.05 1.61 0.74 -1.26 -0.28 119.66 121.50 3cfa s GLN 212 Ca -0.00 -0.32 0.04 0.00 0.05 0.00 0.00 55.36 55.13 3cfa s GLN 212 Cb -0.13 -1.18 -0.02 0.00 1.10 0.00 0.00 33.01 32.78 3cfa s GLN 212 CO 0.03 0.01 -0.16 -0.47 -0.55 0.00 0.00 175.29 174.15 3cfa s TYR 213 N 0.66 2.67 0.01 1.67 5.04 0.55 -4.97 117.35 122.98 3cfa s TYR 213 Ca -0.12 -0.25 0.02 0.00 -2.44 0.00 0.00 57.07 54.28 3cfa s TYR 213 Cb -0.14 -1.63 -0.01 0.00 0.35 0.00 0.00 41.96 40.52 3cfa s TYR 213 CO 0.02 0.11 -0.06 -2.00 -1.34 0.00 0.00 175.55 172.29 3cfa s GLU 214 N -0.60 0.45 -0.04 4.97 2.12 -1.26 -0.62 118.70 123.73 3cfa s GLU 214 Ca 0.09 -0.41 0.05 0.00 0.36 0.00 0.00 54.97 55.06 3cfa s GLU 214 Cb -0.11 -0.35 -0.01 0.00 0.26 0.00 0.00 34.13 33.92 3cfa s GLU 214 CO 0.01 0.08 -0.19 0.00 -0.54 0.00 0.00 175.26 174.62 3cfa s ALA 215 N -0.62 1.67 -0.01 6.30 0.00 -0.79 -4.99 121.76 123.31 3cfa s ALA 215 Ca -0.03 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.15 3cfa s ALA 215 Cb -0.05 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.56 3cfa s ALA 215 CO 0.00 0.33 -0.03 0.00 0.00 0.00 0.00 175.76 176.06 3cfa s ALA 216 N -0.10 0.34 -0.04 0.00 0.00 -1.26 -1.39 121.76 119.31 3cfa s ALA 216 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.87 3cfa s ALA 216 Cb -0.11 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 22.87 3cfa s ALA 216 CO 0.02 0.04 -0.01 0.08 0.00 0.00 0.00 175.76 175.89 3cfa s VAL 217 N 0.25 0.29 -0.18 0.00 1.01 -0.66 -1.69 120.40 119.42 3cfa s VAL 217 Ca -0.02 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 3cfa s VAL 217 Cb -0.05 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 3cfa s VAL 217 CO -0.00 0.19 0.08 0.00 0.00 0.00 0.00 175.10 175.37 3cfa s ALA 218 N 1.22 3.52 0.22 5.51 0.00 0.22 -0.56 121.76 131.89 3cfa s ALA 218 Ca -0.07 -0.72 -0.17 0.00 0.00 0.00 0.00 51.96 51.00 3cfa s ALA 218 Cb -0.13 -1.98 0.02 0.00 0.00 0.00 0.00 23.12 21.02 3cfa s ALA 218 CO -0.02 0.22 0.55 -0.98 0.00 0.00 0.00 175.76 175.53 3cfa s ARG 219 N 0.23 1.49 0.00 0.00 1.70 0.02 -1.59 118.95 120.80 3cfa s ARG 219 Ca 0.06 -0.98 0.00 0.00 -0.47 0.00 0.00 55.73 54.34 3cfa s ARG 219 Cb -0.12 0.53 0.00 0.00 -0.57 0.00 0.00 34.95 34.79 3cfa s ARG 219 CO -0.00 -0.64 0.00 0.66 -1.08 0.00 0.00 175.30 174.24 3cfa n TYR 220 N -0.37 0.00 0.00 5.89 4.01 -1.26 -0.94 117.16 124.49 3cfa n TYR 220 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 3cfa n TYR 220 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 3cfa n TYR 220 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3cfa n ASP 222 N 0.00 0.00 -0.20 7.72 9.92 -1.26 -4.89 116.55 127.83 3cfa n ASP 222 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 3cfa n ASP 222 Cb 0.00 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.50 3cfa n ASP 222 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3cfa h ALA 223 N 0.00 0.79 -3.34 2.24 0.00 -2.05 -3.35 119.26 113.56 3cfa h ALA 223 Ca 0.00 -0.32 -0.66 0.00 0.00 0.00 0.00 54.91 53.93 3cfa h ALA 223 Cb 0.00 -0.21 -0.39 0.00 0.00 0.00 0.00 17.79 17.18 3cfa h ALA 223 CO 0.00 0.65 -0.56 0.00 0.00 0.00 0.00 179.25 179.34 3cfa s ALA 224 N -4.98 3.36 0.63 0.00 0.00 -1.26 -5.11 121.76 114.40 3cfa s ALA 224 Ca -0.12 -3.23 -0.13 0.00 0.00 0.00 0.00 51.96 48.48 3cfa s ALA 224 Cb 0.13 -2.29 -0.02 0.00 0.00 0.00 0.00 23.12 20.94 3cfa s ALA 224 CO 0.86 -2.02 1.04 -1.25 0.00 0.00 0.00 175.76 174.39 3cfa s PRO 225 N -0.16 3.29 -0.05 0.00 0.04 -1.26 -5.04 135.00 131.83 3cfa s PRO 225 Ca 0.17 1.00 -0.21 0.00 0.04 0.00 0.00 61.00 62.00 3cfa s PRO 225 Cb -0.24 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 3cfa s PRO 225 CO -0.01 -0.82 0.61 0.45 0.04 0.00 0.00 177.00 177.27 3cfa s SER 226 N -3.43 6.93 0.00 6.66 0.15 -1.26 -4.95 113.70 117.80 3cfa s SER 226 Ca 0.59 1.11 0.31 0.00 0.70 0.00 0.00 55.95 58.66 3cfa s SER 226 Cb -0.14 -2.37 1.84 0.00 -1.71 0.00 0.00 66.02 63.65 3cfa s SER 226 CO 0.46 0.00 2.18 0.29 1.20 0.00 0.00 173.24 177.37 3cfa n LYS 227 N 3.28 0.98 0.00 5.44 5.02 -1.26 -3.71 118.16 127.90 3cfa n LYS 227 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 3cfa n LYS 227 Cb 0.51 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 3cfa n LYS 227 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3cfa n LEU 228 N -0.99 1.32 0.00 -0.35 4.77 -1.26 -5.02 117.00 115.47 3cfa n LEU 228 Ca 0.23 -1.32 0.00 0.00 -0.03 0.00 0.00 56.01 54.89 3cfa n LEU 228 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3cfa n LEU 228 CO 0.17 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3cfa n GLY 229 N -0.19 0.50 3.87 -0.72 0.00 -1.24 -5.07 105.19 102.33 3cfa n GLY 229 Ca 0.00 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 3cfa n GLY 229 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cfa s HIS 230 N -2.00 2.61 -2.00 1.61 3.76 -1.26 -5.08 115.29 112.93 3cfa s HIS 230 Ca 0.00 0.72 0.25 0.00 -0.15 0.00 0.00 55.06 55.88 3cfa s HIS 230 Cb 0.00 -3.54 1.50 0.00 1.11 0.00 0.00 32.58 31.65 3cfa s HIS 230 CO 0.00 -2.09 1.86 0.72 -0.85 0.00 0.00 174.74 174.37