#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cff n LYS 67 N 0.00 0.27 0.24 -1.46 4.76 -1.26 -2.76 118.16 117.95 3cff n LYS 67 Ca 0.00 0.04 0.12 0.00 -2.87 0.00 0.00 58.31 55.60 3cff n LYS 67 Cb 0.00 -1.50 0.58 0.00 -1.84 0.00 0.00 35.03 32.27 3cff n LYS 67 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 3cff h THR 68 N 0.00 0.50 -3.24 -0.18 2.02 -2.03 -3.37 112.91 106.62 3cff h THR 68 Ca 0.00 -0.86 -0.80 0.00 0.77 0.00 0.00 66.41 65.52 3cff h THR 68 Cb 0.30 1.59 -0.27 0.00 -1.74 0.00 0.00 68.15 68.03 3cff h THR 68 CO 0.00 0.17 0.64 0.49 0.37 0.00 0.00 175.52 177.19 3cff n PHE 69 N -3.44 4.17 -4.00 3.16 3.72 -1.11 -4.87 117.46 115.09 3cff n PHE 69 Ca -0.01 -3.41 -0.16 0.00 -0.05 0.00 0.00 57.45 53.83 3cff n PHE 69 Cb 0.35 -1.57 -0.15 0.00 -0.94 0.00 0.00 39.48 37.16 3cff n PHE 69 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3cff s ILE 70 N -1.69 0.24 -0.37 4.37 1.01 -1.26 -4.44 121.20 119.08 3cff s ILE 70 Ca 0.32 -0.02 -0.23 0.00 0.00 0.00 0.00 60.65 60.71 3cff s ILE 70 Cb -0.04 -0.28 0.01 0.00 0.01 0.00 0.00 42.46 42.15 3cff s ILE 70 CO -0.01 0.13 0.80 -0.75 0.00 0.00 0.00 174.94 175.11 3cff s LYS 71 N 0.61 3.75 -0.12 2.79 2.20 -0.82 -4.92 119.74 123.22 3cff s LYS 71 Ca -0.06 0.32 -0.15 0.00 -0.36 0.00 0.00 55.97 55.72 3cff s LYS 71 Cb -0.09 -3.81 -0.05 0.00 -1.51 0.00 0.00 37.83 32.37 3cff s LYS 71 CO -0.01 -0.87 0.35 0.71 -0.36 0.00 0.00 175.35 175.16 3cff s TYR 72 N 3.15 3.52 0.35 4.03 1.51 -1.26 -0.30 117.35 128.35 3cff s TYR 72 Ca 0.32 0.73 0.08 0.00 -1.01 0.00 0.00 57.07 57.18 3cff s TYR 72 Cb -0.13 -2.37 -0.07 0.00 -0.11 0.00 0.00 41.96 39.29 3cff s TYR 72 CO 0.17 0.31 -0.04 0.14 -1.11 0.00 0.00 175.55 175.02 3cff s VAL 73 N 0.20 1.97 -1.37 0.71 -7.23 -0.65 -4.84 120.40 109.19 3cff s VAL 73 Ca 0.20 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.26 3cff s VAL 73 Cb -0.14 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 34.06 3cff s VAL 73 CO 0.07 -0.14 0.00 -1.20 -0.31 0.00 0.00 175.10 173.52 3cff n SER 74 N -0.80 -4.69 -2.15 4.85 7.64 -1.26 -3.08 113.62 114.13 3cff n SER 74 Ca -0.05 0.03 -0.18 0.00 1.01 0.00 0.00 58.87 59.68 3cff n SER 74 Cb 0.65 -3.79 -0.00 0.00 -1.01 0.00 0.00 64.21 60.06 3cff n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cff n GLY 75 N -1.02 -0.37 3.69 0.23 0.00 -1.26 -4.98 105.19 101.48 3cff n GLY 75 Ca -0.18 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 3cff n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cff s ILE 76 N -2.93 4.81 0.48 -0.61 1.01 -1.18 -5.03 121.20 117.76 3cff s ILE 76 Ca 0.05 1.96 -0.23 0.00 0.00 0.00 0.00 60.65 62.43 3cff s ILE 76 Cb -0.02 -4.28 -0.07 0.00 0.01 0.00 0.00 42.46 38.10 3cff s ILE 76 CO 0.06 0.02 1.28 -2.16 0.00 0.00 0.00 174.94 174.14 3cff s PRO 77 N 1.97 3.54 -0.68 2.79 0.04 -1.26 -4.80 135.00 136.59 3cff s PRO 77 Ca 0.47 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 63.43 3cff s PRO 77 Cb -0.18 -2.42 0.18 0.00 0.04 0.00 0.00 34.50 32.12 3cff s PRO 77 CO 0.17 -0.81 0.61 0.34 0.04 0.00 0.00 177.00 177.35 3cff s ASP 78 N -1.06 6.29 0.42 6.66 -1.08 -1.26 -4.56 116.67 122.09 3cff s ASP 78 Ca 0.66 -2.39 0.13 0.00 -0.52 0.00 0.00 52.55 50.43 3cff s ASP 78 Cb -0.36 -2.14 1.00 0.00 -1.46 0.00 0.00 42.92 39.96 3cff s ASP 78 CO 0.43 -0.63 1.96 0.22 0.52 0.00 0.00 175.17 177.67 3cff h TYR 79 N 8.04 0.49 0.02 -5.34 3.20 -1.94 -1.49 116.97 119.96 3cff h TYR 79 Ca -0.05 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.80 3cff h TYR 79 Cb 1.05 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.16 3cff h TYR 79 CO 0.87 0.23 -0.18 0.74 -1.64 0.00 0.00 178.16 178.18 3cff h PHE 80 N 0.46 0.08 -0.27 -3.82 0.04 -1.91 -3.13 116.94 108.38 3cff h PHE 80 Ca 0.30 -0.06 -0.07 0.00 2.80 0.00 0.00 57.97 60.94 3cff h PHE 80 Cb 0.58 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.71 3cff h PHE 80 CO -0.00 1.07 -0.14 0.87 -0.60 0.00 0.00 178.31 179.51 3cff h LYS 81 N -0.91 0.46 -0.03 1.51 1.57 -1.86 -2.08 116.57 115.23 3cff h LYS 81 Ca -0.04 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3cff h LYS 81 Cb 1.11 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 3cff h LYS 81 CO 0.01 0.60 0.03 1.96 -0.57 0.00 0.00 179.45 181.48 3cff h GLN 82 N 0.42 0.00 0.00 3.15 4.20 -1.37 -2.97 115.11 118.55 3cff h GLN 82 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3cff h GLN 82 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 3cff h GLN 82 CO 0.03 0.00 0.00 0.43 -0.67 0.00 0.00 178.83 178.62 3cff n SER 83 N -4.02 0.45 -4.81 1.46 7.64 -0.78 -4.77 113.62 108.78 3cff n SER 83 Ca -0.02 0.58 -0.34 0.00 1.01 0.00 0.00 58.87 60.10 3cff n SER 83 Cb 0.12 -0.69 -0.07 0.00 -1.01 0.00 0.00 64.21 62.57 3cff n SER 83 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3cff s PHE 84 N -3.15 3.42 -0.73 1.43 0.08 -1.12 -0.36 117.98 117.55 3cff s PHE 84 Ca 0.08 1.61 0.26 0.00 0.12 0.00 0.00 56.93 59.00 3cff s PHE 84 Cb 0.11 -2.83 0.78 0.00 -0.57 0.00 0.00 43.02 40.51 3cff s PHE 84 CO 0.43 0.00 1.75 -0.35 -0.10 0.00 0.00 175.22 176.95 3cff n PRO 85 N -0.28 0.26 -0.11 0.24 -0.04 -1.26 -4.86 135.00 128.96 3cff n PRO 85 Ca 0.05 0.21 0.03 0.00 -0.04 0.00 0.00 63.50 63.75 3cff n PRO 85 Cb 0.53 -1.80 0.34 0.00 -0.04 0.00 0.00 33.50 32.54 3cff n PRO 85 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3cff h GLU 86 N 0.00 0.75 0.00 0.54 3.07 -1.81 -3.39 114.58 113.73 3cff h GLU 86 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3cff h GLU 86 Cb 0.74 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 3cff h GLU 86 CO 0.00 0.49 0.00 0.41 -1.40 0.00 0.00 179.01 178.51 3cff n GLY 87 N -1.45 -1.81 3.58 -3.84 0.00 0.51 -4.79 105.19 97.39 3cff n GLY 87 Ca 0.06 -1.67 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 3cff n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3cff s PHE 88 N 0.00 0.09 0.28 1.61 -0.12 -0.90 -1.41 117.98 117.53 3cff s PHE 88 Ca 0.00 -0.46 0.09 0.00 -0.05 0.00 0.00 56.93 56.51 3cff s PHE 88 Cb 0.00 0.33 -0.06 0.00 -0.63 0.00 0.00 43.02 42.66 3cff s PHE 88 CO 0.00 -0.97 -0.11 0.95 -0.05 0.00 0.00 175.22 175.04 3cff s THR 89 N -3.94 1.98 0.04 -4.49 -4.23 -0.12 -0.47 115.64 104.41 3cff s THR 89 Ca 0.15 -2.21 -0.01 0.00 -1.18 0.00 0.00 61.69 58.43 3cff s THR 89 Cb -0.01 -2.41 -0.03 0.00 1.34 0.00 0.00 72.50 71.39 3cff s THR 89 CO 0.03 -0.34 -0.01 -1.66 -0.54 0.00 0.00 174.62 172.10 3cff s TRP 90 N -2.80 0.42 -0.02 3.99 1.48 -0.51 -0.58 118.94 120.91 3cff s TRP 90 Ca 0.29 -0.88 -0.03 0.00 -1.06 0.00 0.00 56.10 54.42 3cff s TRP 90 Cb 0.01 -0.31 0.01 0.00 -1.16 0.00 0.00 33.47 32.01 3cff s TRP 90 CO 0.13 -0.34 0.07 -1.83 -4.06 0.00 0.00 176.95 170.92 3cff s GLU 91 N -3.24 0.13 -0.14 3.25 -1.05 -0.51 -0.73 118.70 116.40 3cff s GLU 91 Ca 0.01 0.03 -0.16 0.00 -0.15 0.00 0.00 54.97 54.70 3cff s GLU 91 Cb 0.03 0.06 0.04 0.00 -0.44 0.00 0.00 34.13 33.82 3cff s GLU 91 CO -0.08 -0.02 0.43 0.50 0.95 0.00 0.00 175.26 177.05 3cff s ARG 92 N -0.14 0.54 -0.13 -4.83 3.52 -0.28 -1.24 118.95 116.39 3cff s ARG 92 Ca -0.02 0.51 0.03 0.00 -0.13 0.00 0.00 55.73 56.12 3cff s ARG 92 Cb -0.02 0.26 0.01 0.00 -1.56 0.00 0.00 34.95 33.64 3cff s ARG 92 CO 0.00 -0.08 -0.22 0.99 -0.81 0.00 0.00 175.30 175.18 3cff s THR 93 N 0.02 2.03 -0.24 4.11 2.01 -0.92 -0.81 115.64 121.85 3cff s THR 93 Ca -0.02 -0.97 -0.09 0.00 0.31 0.00 0.00 61.69 60.92 3cff s THR 93 Cb -0.03 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 3cff s THR 93 CO 0.01 0.55 0.12 -0.89 -0.69 0.00 0.00 174.62 173.72 3cff s THR 94 N 0.72 4.87 -0.22 -0.82 2.01 0.51 -1.28 115.64 121.44 3cff s THR 94 Ca -0.10 0.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.86 3cff s THR 94 Cb -0.16 -3.27 -0.03 0.00 0.01 0.00 0.00 72.50 69.05 3cff s THR 94 CO 0.00 0.34 0.03 0.42 -0.69 0.00 0.00 174.62 174.73 3cff s THR 95 N 1.29 4.14 0.10 -0.82 -4.23 0.18 -1.09 115.64 115.21 3cff s THR 95 Ca 0.06 -0.24 -0.09 0.00 -1.18 0.00 0.00 61.69 60.24 3cff s THR 95 Cb -0.15 -2.90 -0.06 0.00 1.34 0.00 0.00 72.50 70.74 3cff s THR 95 CO 0.05 0.39 0.40 -0.31 -0.54 0.00 0.00 174.62 174.62 3cff s TYR 96 N 1.25 3.56 0.35 3.99 2.02 -0.03 -0.81 117.35 127.68 3cff s TYR 96 Ca 0.04 0.76 0.39 0.00 -0.37 0.00 0.00 57.07 57.88 3cff s TYR 96 Cb -0.15 -2.14 1.86 0.00 -0.40 0.00 0.00 41.96 41.14 3cff s TYR 96 CO 0.02 0.49 2.16 1.05 -1.57 0.00 0.00 175.55 177.70 3cff h GLU 97 N 3.52 0.00 -0.70 -0.62 4.11 -1.52 -2.08 114.58 117.30 3cff h GLU 97 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3cff h GLU 97 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3cff h GLU 97 CO 0.67 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.35 3cff n ASP 98 N -3.05 4.16 0.00 3.06 5.75 -1.26 -4.95 116.55 120.27 3cff n ASP 98 Ca -0.01 -2.16 0.00 0.00 -0.01 0.00 0.00 54.79 52.61 3cff n ASP 98 Cb 0.19 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 3cff n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cff n GLY 99 N 1.47 1.19 3.78 6.12 0.00 -0.78 -4.57 105.19 112.38 3cff n GLY 99 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 3cff n GLY 99 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cff s GLY 100 N -2.11 2.54 -0.02 -0.02 0.00 -1.22 -4.61 107.32 101.88 3cff s GLY 100 Ca 0.00 0.76 0.03 0.00 0.00 0.00 0.00 44.72 45.51 3cff s GLY 100 CO 0.00 1.11 -0.12 -1.36 0.00 0.00 0.00 173.10 172.73 3cff s PHE 101 N -1.89 1.15 -0.17 1.90 0.08 -0.19 -0.85 117.98 118.02 3cff s PHE 101 Ca 0.71 -0.27 -0.01 0.00 0.12 0.00 0.00 56.93 57.49 3cff s PHE 101 Cb -0.23 -0.78 0.04 0.00 -0.57 0.00 0.00 43.02 41.49 3cff s PHE 101 CO 0.29 -0.08 -0.04 -1.17 -0.10 0.00 0.00 175.22 174.11 3cff s LEU 102 N -0.04 1.68 -0.08 -0.37 1.98 -0.25 -1.12 118.68 120.48 3cff s LEU 102 Ca 0.00 -0.73 0.01 0.00 -2.89 0.00 0.00 54.13 50.52 3cff s LEU 102 Cb -0.07 -0.91 -0.03 0.00 0.66 0.00 0.00 46.19 45.84 3cff s LEU 102 CO 0.00 -0.20 -0.10 -0.89 -1.89 0.00 0.00 176.35 173.28 3cff s THR 103 N 1.63 3.44 0.01 3.68 2.01 0.16 -0.36 115.64 126.21 3cff s THR 103 Ca -0.00 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.44 3cff s THR 103 Cb -0.16 -2.41 -0.01 0.00 0.01 0.00 0.00 72.50 69.93 3cff s THR 103 CO -0.08 0.57 -0.03 0.00 -0.69 0.00 0.00 174.62 174.40 3cff s ALA 104 N -0.44 0.15 -0.02 7.40 0.00 0.01 -0.95 121.76 127.90 3cff s ALA 104 Ca 0.06 -0.38 0.07 0.00 0.00 0.00 0.00 51.96 51.71 3cff s ALA 104 Cb -0.12 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 3cff s ALA 104 CO 0.02 -0.07 -0.22 -1.58 0.00 0.00 0.00 175.76 173.91 3cff s HIS 105 N -0.85 1.99 -0.01 0.00 5.65 -0.58 -1.13 115.29 120.36 3cff s HIS 105 Ca -0.09 -0.42 0.02 0.00 0.25 0.00 0.00 55.06 54.83 3cff s HIS 105 Cb -0.06 -1.29 -0.01 0.00 -1.18 0.00 0.00 32.58 30.04 3cff s HIS 105 CO -0.00 -0.06 -0.08 -1.14 -0.65 0.00 0.00 174.74 172.81 3cff s GLN 106 N -0.44 0.62 -0.13 2.88 -0.44 0.09 -1.07 119.66 121.17 3cff s GLN 106 Ca 0.06 -0.28 0.01 0.00 -2.50 0.00 0.00 55.36 52.65 3cff s GLN 106 Cb -0.09 -0.60 -0.01 0.00 -1.64 0.00 0.00 33.01 30.67 3cff s GLN 106 CO -0.00 0.16 -0.15 0.34 0.50 0.00 0.00 175.29 176.14 3cff s ASP 107 N -0.19 3.78 -0.19 6.67 -1.08 -0.18 -1.43 116.67 124.06 3cff s ASP 107 Ca 0.03 -0.40 -0.02 0.00 -0.52 0.00 0.00 52.55 51.64 3cff s ASP 107 Cb -0.03 -1.57 -0.00 0.00 -1.46 0.00 0.00 42.92 39.86 3cff s ASP 107 CO -0.00 0.15 -0.11 -0.89 0.52 0.00 0.00 175.17 174.84 3cff s THR 108 N 0.45 2.95 0.16 1.71 2.01 0.38 -1.41 115.64 121.89 3cff s THR 108 Ca -0.11 -0.65 0.08 0.00 0.31 0.00 0.00 61.69 61.31 3cff s THR 108 Cb -0.16 -2.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 3cff s THR 108 CO 0.05 0.48 -0.16 -0.44 -0.69 0.00 0.00 174.62 173.86 3cff s SER 109 N 1.14 2.46 -0.23 3.53 0.01 -0.42 -2.12 113.70 118.07 3cff s SER 109 Ca 0.01 -0.88 -0.07 0.00 1.31 0.00 0.00 55.95 56.32 3cff s SER 109 Cb -0.14 -0.13 -0.03 0.00 0.21 0.00 0.00 66.02 65.93 3cff s SER 109 CO -0.03 -0.09 0.06 -0.22 0.41 0.00 0.00 173.24 173.36 3cff s LEU 110 N -2.73 3.43 -0.58 2.44 2.96 -1.26 -0.32 118.68 122.62 3cff s LEU 110 Ca 0.15 -0.18 0.04 0.00 -0.22 0.00 0.00 54.13 53.92 3cff s LEU 110 Cb -0.04 -1.91 0.14 0.00 0.50 0.00 0.00 46.19 44.88 3cff s LEU 110 CO 0.06 0.00 0.33 -0.62 -1.32 0.00 0.00 176.35 174.80 3cff s ASP 111 N 1.40 4.47 0.57 3.68 2.15 -1.26 -4.98 116.67 122.70 3cff s ASP 111 Ca 0.05 -3.27 0.00 0.00 0.43 0.00 0.00 52.55 49.76 3cff s ASP 111 Cb -0.15 -1.64 0.00 0.00 -0.30 0.00 0.00 42.92 40.83 3cff s ASP 111 CO 0.03 -0.19 0.00 0.61 -0.17 0.00 0.00 175.17 175.45 3cff n GLY 112 N 2.76 1.46 2.88 2.66 0.00 -1.26 -4.77 105.19 108.92 3cff n GLY 112 Ca 0.09 0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 3cff n GLY 112 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cff n ASP 113 N 8.07 4.62 -3.99 1.61 5.75 -1.26 -5.21 116.55 126.15 3cff n ASP 113 Ca 0.00 -3.67 -0.20 0.00 -0.01 0.00 0.00 54.79 50.92 3cff n ASP 113 Cb 0.00 -0.61 -0.15 0.00 -1.03 0.00 0.00 41.12 39.33 3cff n ASP 113 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3cff s LEU 115 N -3.44 1.77 -0.15 -2.12 1.43 -1.26 -5.20 118.68 109.70 3cff s LEU 115 Ca 0.48 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.42 3cff s LEU 115 Cb 0.26 -0.50 0.01 0.00 0.03 0.00 0.00 46.19 45.99 3cff s LEU 115 CO -0.13 0.05 -0.19 -0.69 0.23 0.00 0.00 176.35 175.63 3cff s VAL 116 N 0.22 2.27 -0.12 -1.59 1.01 0.56 -4.93 120.40 117.82 3cff s VAL 116 Ca -0.03 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 3cff s VAL 116 Cb -0.08 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 3cff s VAL 116 CO 0.00 0.53 -0.04 -0.31 0.00 0.00 0.00 175.10 175.29 3cff s TYR 117 N 0.92 3.03 -0.15 5.22 2.02 -1.26 -1.30 117.35 125.83 3cff s TYR 117 Ca -0.04 -0.13 0.01 0.00 -0.37 0.00 0.00 57.07 56.53 3cff s TYR 117 Cb -0.15 -1.87 0.02 0.00 -0.40 0.00 0.00 41.96 39.56 3cff s TYR 117 CO -0.03 0.14 -0.15 0.15 -1.57 0.00 0.00 175.55 174.08 3cff s LYS 118 N -0.12 2.40 -0.04 -0.62 1.02 -0.50 -4.98 119.74 116.89 3cff s LYS 118 Ca 0.03 -0.60 0.07 0.00 0.02 0.00 0.00 55.97 55.48 3cff s LYS 118 Cb -0.13 -2.14 -0.01 0.00 -0.52 0.00 0.00 37.83 35.03 3cff s LYS 118 CO 0.02 -0.20 -0.24 0.08 -0.92 0.00 0.00 175.35 174.09 3cff s VAL 119 N 1.36 1.97 -0.07 3.17 1.01 -1.26 -1.01 120.40 125.58 3cff s VAL 119 Ca 0.03 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 61.01 3cff s VAL 119 Cb -0.13 -1.66 -0.00 0.00 0.00 0.00 0.00 36.38 34.59 3cff s VAL 119 CO -0.09 0.55 -0.21 -0.54 0.00 0.00 0.00 175.10 174.81 3cff s LYS 120 N -0.32 2.42 -0.05 2.72 1.02 -0.24 -5.00 119.74 120.29 3cff s LYS 120 Ca 0.02 -0.75 0.04 0.00 0.02 0.00 0.00 55.97 55.30 3cff s LYS 120 Cb -0.12 -1.95 0.00 0.00 -0.52 0.00 0.00 37.83 35.24 3cff s LYS 120 CO 0.02 0.22 -0.16 0.42 -0.92 0.00 0.00 175.35 174.93 3cff s ILE 121 N 0.21 1.35 -0.12 2.17 -1.09 -1.26 -1.53 121.20 120.93 3cff s ILE 121 Ca -0.11 -0.65 -0.01 0.00 -2.23 0.00 0.00 60.65 57.64 3cff s ILE 121 Cb -0.15 -1.17 0.03 0.00 -1.58 0.00 0.00 42.46 39.59 3cff s ILE 121 CO 0.05 0.39 -0.02 -0.76 -1.23 0.00 0.00 174.94 173.38 3cff s LEU 122 N 0.19 1.00 0.02 2.97 1.43 -0.13 -5.01 118.68 119.15 3cff s LEU 122 Ca -0.07 -0.35 0.09 0.00 -1.03 0.00 0.00 54.13 52.77 3cff s LEU 122 Cb -0.12 -0.64 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 3cff s LEU 122 CO 0.03 -0.19 -0.25 -0.83 0.23 0.00 0.00 176.35 175.33 3cff s GLY 123 N 1.83 1.31 0.17 -3.19 0.00 -1.26 -0.66 107.32 105.52 3cff s GLY 123 Ca 0.03 -1.18 -0.19 0.00 0.00 0.00 0.00 44.72 43.38 3cff s GLY 123 CO -0.07 -1.05 0.51 0.54 0.00 0.00 0.00 173.10 173.04 3cff s ASN 124 N -1.02 -0.34 -0.78 1.64 2.20 -0.28 -4.95 114.94 111.41 3cff s ASN 124 Ca 0.11 -0.30 0.00 0.00 -0.94 0.00 0.00 52.86 51.72 3cff s ASN 124 Cb -0.10 0.56 0.00 0.00 -2.00 0.00 0.00 41.25 39.71 3cff s ASN 124 CO 0.01 -0.98 0.00 0.59 -2.94 0.00 0.00 177.10 173.78 3cff n ASN 125 N -0.32 -5.05 -4.71 3.54 3.02 -1.26 -1.02 115.26 109.45 3cff n ASN 125 Ca -0.14 0.18 -0.42 0.00 -0.03 0.00 0.00 54.58 54.18 3cff n ASN 125 Cb 0.63 -3.20 -0.03 0.00 -0.61 0.00 0.00 39.78 36.57 3cff n ASN 125 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3cff s PHE 126 N -1.89 3.11 0.26 3.10 0.08 -1.26 -3.38 117.98 118.00 3cff s PHE 126 Ca 0.00 0.82 -0.30 0.00 0.12 0.00 0.00 56.93 57.57 3cff s PHE 126 Cb 0.00 -3.76 -0.10 0.00 -0.57 0.00 0.00 43.02 38.59 3cff s PHE 126 CO 0.00 -2.75 1.42 -2.14 -0.10 0.00 0.00 175.22 171.66 3cff s PRO 127 N 1.32 4.27 0.51 0.24 0.02 -1.26 -4.88 135.00 135.23 3cff s PRO 127 Ca 0.66 2.29 0.19 0.00 0.02 0.00 0.00 61.00 64.17 3cff s PRO 127 Cb -0.38 -3.10 1.30 0.00 0.02 0.00 0.00 34.50 32.34 3cff s PRO 127 CO 0.30 -0.39 2.11 0.00 -0.33 0.00 0.00 177.00 178.69 3cff h ALA 128 N 4.81 1.73 0.00 -1.55 0.00 -1.97 -0.93 119.26 121.35 3cff h ALA 128 Ca -0.46 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3cff h ALA 128 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3cff h ALA 128 CO 0.76 0.09 -0.21 -0.40 0.00 0.00 0.00 179.25 179.50 3cff n ASP 129 N -4.24 0.55 -4.84 0.00 5.75 -1.26 -4.22 116.55 108.29 3cff n ASP 129 Ca -0.03 0.35 -0.30 0.00 -0.01 0.00 0.00 54.79 54.81 3cff n ASP 129 Cb 0.16 -0.37 0.08 0.00 -1.03 0.00 0.00 41.12 39.95 3cff n ASP 129 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3cff s GLY 130 N -3.38 1.62 0.53 6.12 0.00 -0.35 -4.79 107.32 107.06 3cff s GLY 130 Ca 0.10 -0.33 0.22 0.00 0.00 0.00 0.00 44.72 44.72 3cff s GLY 130 CO 0.62 0.09 2.15 -0.56 0.00 0.00 0.00 173.10 175.41 3cff h PRO 131 N -0.96 0.00 0.32 2.90 0.13 -1.93 -0.56 132.00 131.90 3cff h PRO 131 Ca -0.46 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 3cff h PRO 131 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3cff h PRO 131 CO 0.62 0.05 -0.15 0.28 -0.23 0.00 0.00 178.00 178.56 3cff h VAL 132 N 0.00 0.59 0.00 1.56 2.07 -1.93 0.09 116.25 118.63 3cff h VAL 132 Ca -0.00 -0.71 -0.10 0.00 0.82 0.00 0.00 66.70 66.72 3cff h VAL 132 Cb 0.09 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3cff h VAL 132 CO 0.01 0.12 -0.46 0.24 0.02 0.00 0.00 177.57 177.49 3cff h MET 133 N -0.88 0.00 -0.00 1.57 2.86 -1.71 -2.46 114.93 114.32 3cff h MET 133 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3cff h MET 133 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 3cff h MET 133 CO 0.07 0.46 -0.05 1.04 1.06 0.00 0.00 176.91 179.50 3cff n GLN 134 N -3.55 0.35 -3.61 1.72 1.13 -0.23 -4.94 117.38 108.24 3cff n GLN 134 Ca -0.00 -0.04 -0.22 0.00 -1.94 0.00 0.00 57.00 54.80 3cff n GLN 134 Cb 0.57 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 29.48 3cff n GLN 134 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3cff n ASN 135 N -1.29 -3.72 -0.32 1.08 2.85 -0.85 -4.92 115.26 108.08 3cff n ASN 135 Ca 0.12 -0.65 0.08 0.00 -0.11 0.00 0.00 54.58 54.02 3cff n ASN 135 Cb 0.28 -4.72 0.17 0.00 1.24 0.00 0.00 39.78 36.75 3cff n ASN 135 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3cff n LYS 136 N -4.53 1.49 -2.67 1.20 5.02 -0.04 -5.05 118.16 113.58 3cff n LYS 136 Ca -0.14 -2.83 -0.33 0.00 -2.02 0.00 0.00 58.31 52.98 3cff n LYS 136 Cb 0.61 -1.57 -0.06 0.00 -0.02 0.00 0.00 35.03 34.00 3cff n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cff s ALA 137 N -3.00 3.01 -0.18 7.82 0.00 -1.21 -4.20 121.76 124.00 3cff s ALA 137 Ca 0.35 0.39 0.15 0.00 0.00 0.00 0.00 51.96 52.84 3cff s ALA 137 Cb 0.32 -3.16 0.38 0.00 0.00 0.00 0.00 23.12 20.65 3cff s ALA 137 CO 0.00 -0.03 1.23 0.41 0.00 0.00 0.00 175.76 177.36 3cff n GLY 138 N -0.78 4.92 0.00 0.00 0.00 1.00 -5.00 105.19 105.32 3cff n GLY 138 Ca 0.07 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3cff n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cff n GLY 139 N -1.22 0.47 3.88 -0.02 0.00 -1.26 -4.72 105.19 102.32 3cff n GLY 139 Ca 0.19 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.93 3cff n GLY 139 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3cff s TRP 140 N -1.61 3.56 0.73 1.61 0.52 -1.26 -0.46 118.94 122.02 3cff s TRP 140 Ca 0.00 0.65 -0.12 0.00 0.02 0.00 0.00 56.10 56.65 3cff s TRP 140 Cb 0.00 -2.05 0.03 0.00 -1.15 0.00 0.00 33.47 30.30 3cff s TRP 140 CO 0.00 0.54 1.09 -1.21 0.02 0.00 0.00 176.95 177.39 3cff s GLU 141 N -2.01 2.53 0.67 4.98 0.41 -0.60 -4.82 118.70 119.86 3cff s GLU 141 Ca 0.32 1.17 -0.17 0.00 -0.41 0.00 0.00 54.97 55.89 3cff s GLU 141 Cb -0.13 -1.93 -0.01 0.00 -1.78 0.00 0.00 34.13 30.28 3cff s GLU 141 CO 0.19 -1.44 1.02 -2.30 -0.49 0.00 0.00 175.26 172.25 3cff n PRO 142 N -3.18 0.72 -4.23 0.39 -0.02 -1.26 -4.72 135.00 122.70 3cff n PRO 142 Ca 0.09 0.30 -0.13 0.00 -2.02 0.00 0.00 63.50 61.74 3cff n PRO 142 Cb 0.53 -2.26 -0.10 0.00 -0.02 0.00 0.00 33.50 31.65 3cff n PRO 142 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3cff s GLY 143 N -1.48 1.07 -0.08 -1.23 0.00 0.83 -4.87 107.32 101.55 3cff s GLY 143 Ca 0.76 -1.50 0.03 0.00 0.00 0.00 0.00 44.72 44.01 3cff s GLY 143 CO 0.47 -1.54 -0.18 0.00 0.00 0.00 0.00 173.10 171.85 3cff s GLU 145 N 0.47 2.58 -0.13 0.00 2.12 0.37 -4.20 118.70 119.91 3cff s GLU 145 Ca -0.16 -0.65 -0.06 0.00 0.36 0.00 0.00 54.97 54.46 3cff s GLU 145 Cb -0.17 -2.46 -0.04 0.00 0.26 0.00 0.00 34.13 31.73 3cff s GLU 145 CO 0.06 0.63 0.08 0.96 -0.54 0.00 0.00 175.26 176.46 3cff s ILE 146 N -0.79 5.00 -0.01 -3.70 -4.36 0.07 -0.79 121.20 116.62 3cff s ILE 146 Ca 0.12 0.02 0.03 0.00 -0.26 0.00 0.00 60.65 60.57 3cff s ILE 146 Cb -0.11 -3.18 -0.01 0.00 1.25 0.00 0.00 42.46 40.41 3cff s ILE 146 CO 0.02 0.57 -0.11 -0.76 0.24 0.00 0.00 174.94 174.89 3cff s LEU 147 N -0.61 2.03 -0.01 0.37 1.02 -0.29 -1.07 118.68 120.11 3cff s LEU 147 Ca 0.12 -0.21 -0.28 0.00 0.02 0.00 0.00 54.13 53.77 3cff s LEU 147 Cb -0.12 -0.58 0.10 0.00 0.02 0.00 0.00 46.19 45.61 3cff s LEU 147 CO 0.02 0.14 0.84 -0.72 0.02 0.00 0.00 176.35 176.65 3cff s TYR 148 N -0.28 -0.41 0.14 0.29 -0.85 -0.77 -1.61 117.35 113.87 3cff s TYR 148 Ca 0.04 0.38 -0.31 0.00 -0.52 0.00 0.00 57.07 56.67 3cff s TYR 148 Cb -0.04 0.52 -0.08 0.00 0.38 0.00 0.00 41.96 42.73 3cff s TYR 148 CO -0.00 -0.56 1.30 -2.00 -1.52 0.00 0.00 175.55 172.76 3cff s GLU 149 N -2.71 4.39 -0.02 -3.49 2.12 -1.26 -1.01 118.70 116.72 3cff s GLU 149 Ca 0.02 1.98 0.00 0.00 0.36 0.00 0.00 54.97 57.33 3cff s GLU 149 Cb -0.01 -3.25 0.03 0.00 0.26 0.00 0.00 34.13 31.16 3cff s GLU 149 CO -0.06 -0.29 0.01 0.08 -0.54 0.00 0.00 175.26 174.46 3cff s VAL 150 N 0.59 0.07 -1.36 3.70 1.01 -0.29 -4.90 120.40 119.21 3cff s VAL 150 Ca 0.59 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.68 3cff s VAL 150 Cb -0.35 -0.17 0.01 0.00 0.00 0.00 0.00 36.38 35.87 3cff s VAL 150 CO 0.34 0.11 0.17 0.47 0.00 0.00 0.00 175.10 176.19 3cff n ASP 151 N 4.04 -4.77 0.00 3.32 8.00 -1.26 -1.21 116.55 124.66 3cff n ASP 151 Ca -0.26 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.22 3cff n ASP 151 Cb 0.51 -3.98 0.00 0.00 -0.02 0.00 0.00 41.12 37.64 3cff n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cff n GLY 152 N -1.03 0.48 3.69 0.44 0.00 -1.26 -5.01 105.19 102.50 3cff n GLY 152 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 3cff n GLY 152 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cff s VAL 153 N -2.13 0.83 -0.21 1.61 -7.23 -0.35 -4.97 120.40 107.96 3cff s VAL 153 Ca 0.00 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.11 3cff s VAL 153 Cb 0.00 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.79 3cff s VAL 153 CO 0.00 0.00 0.03 -0.22 -0.31 0.00 0.00 175.10 174.60 3cff s LEU 154 N -3.80 3.42 -0.01 1.32 2.96 -0.99 -1.14 118.68 120.44 3cff s LEU 154 Ca 0.09 -0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 53.84 3cff s LEU 154 Cb 0.01 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 3cff s LEU 154 CO 0.06 0.06 0.12 0.00 -1.32 0.00 0.00 176.35 175.27 3cff s GLY 156 N -1.79 0.67 -0.03 0.00 0.00 -0.09 -1.85 107.32 104.22 3cff s GLY 156 Ca 0.24 -0.56 0.01 0.00 0.00 0.00 0.00 44.72 44.41 3cff s GLY 156 CO 0.15 -0.41 -0.02 1.20 0.00 0.00 0.00 173.10 174.02 3cff s GLN 157 N -0.20 0.52 0.01 2.90 -1.52 -0.23 -0.79 119.66 120.34 3cff s GLN 157 Ca 0.03 -0.01 -0.19 0.00 -1.95 0.00 0.00 55.36 53.24 3cff s GLN 157 Cb -0.06 -0.61 0.04 0.00 -0.22 0.00 0.00 33.01 32.15 3cff s GLN 157 CO -0.00 -0.10 0.41 -1.54 -0.25 0.00 0.00 175.29 173.81 3cff s SER 158 N 0.92 -0.30 -0.10 5.90 1.04 -1.02 -0.75 113.70 119.38 3cff s SER 158 Ca -0.10 0.14 -0.01 0.00 0.48 0.00 0.00 55.95 56.45 3cff s SER 158 Cb -0.14 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.35 3cff s SER 158 CO -0.01 -0.58 -0.06 -0.76 0.98 0.00 0.00 173.24 172.82 3cff s LEU 159 N -1.63 3.18 0.20 2.42 1.43 -1.26 -0.12 118.68 122.90 3cff s LEU 159 Ca -0.09 -0.07 0.09 0.00 -1.03 0.00 0.00 54.13 53.03 3cff s LEU 159 Cb -0.02 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 3cff s LEU 159 CO 0.02 0.29 -0.17 -0.04 0.23 0.00 0.00 176.35 176.68 3cff s MET 160 N -0.35 1.35 -0.11 1.70 -1.94 -0.56 -4.49 119.30 114.89 3cff s MET 160 Ca 0.05 -1.53 -0.01 0.00 -1.71 0.00 0.00 55.69 52.50 3cff s MET 160 Cb -0.12 -1.31 0.03 0.00 2.01 0.00 0.00 34.83 35.43 3cff s MET 160 CO 0.02 0.25 -0.06 0.00 -0.01 0.00 0.00 175.02 175.22 3cff s ALA 161 N -2.46 1.22 -0.11 3.03 0.00 -1.26 -1.43 121.76 120.76 3cff s ALA 161 Ca 0.20 -0.50 -0.22 0.00 0.00 0.00 0.00 51.96 51.44 3cff s ALA 161 Cb -0.04 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 3cff s ALA 161 CO 0.08 -0.47 0.67 -1.17 0.00 0.00 0.00 175.76 174.87 3cff s LEU 162 N 1.75 4.26 0.10 0.00 2.96 0.92 -1.56 118.68 127.12 3cff s LEU 162 Ca 0.05 1.06 -0.31 0.00 -0.22 0.00 0.00 54.13 54.71 3cff s LEU 162 Cb -0.13 -3.00 -0.07 0.00 0.50 0.00 0.00 46.19 43.49 3cff s LEU 162 CO -0.08 -0.16 1.26 -0.54 -1.32 0.00 0.00 176.35 175.52 3cff s LYS 163 N 1.12 4.41 0.19 1.98 1.02 0.39 -0.97 119.74 127.88 3cff s LYS 163 Ca 0.34 1.89 0.07 0.00 0.02 0.00 0.00 55.97 58.29 3cff s LYS 163 Cb -0.17 -3.29 -0.05 0.00 -0.52 0.00 0.00 37.83 33.80 3cff s LYS 163 CO 0.15 -0.28 -0.12 0.00 -0.92 0.00 0.00 175.35 174.17 3cff n PRO 165 N -0.33 1.60 -1.98 0.00 -0.02 -1.26 -2.41 135.00 130.59 3cff n PRO 165 Ca -0.08 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3cff n PRO 165 Cb 0.61 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3cff n PRO 165 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cff n GLY 166 N 1.06 0.46 2.47 -1.23 0.00 -1.26 -3.78 105.19 102.90 3cff n GLY 166 Ca 0.08 -0.85 -0.19 0.00 0.00 0.00 0.00 46.02 45.06 3cff n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cff n GLY 167 N -0.96 0.83 3.95 -0.02 0.00 -1.20 -4.99 105.19 102.79 3cff n GLY 167 Ca 0.00 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 3cff n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cff s ARG 168 N -4.21 3.19 0.06 1.61 0.52 -1.01 -4.94 118.95 114.17 3cff s ARG 168 Ca 0.00 -0.39 0.06 0.00 -0.52 0.00 0.00 55.73 54.88 3cff s ARG 168 Cb 0.00 -2.56 -0.03 0.00 0.52 0.00 0.00 34.95 32.88 3cff s ARG 168 CO 0.00 -0.18 -0.15 -1.01 0.02 0.00 0.00 175.30 173.97 3cff s HIS 169 N -2.53 1.34 -0.16 -0.53 3.76 -1.26 -0.49 115.29 115.42 3cff s HIS 169 Ca 0.47 -0.40 0.01 0.00 -0.15 0.00 0.00 55.06 54.99 3cff s HIS 169 Cb -0.10 -0.77 0.01 0.00 1.11 0.00 0.00 32.58 32.83 3cff s HIS 169 CO 0.38 0.07 -0.19 -1.17 -0.85 0.00 0.00 174.74 172.98 3cff s LEU 170 N -1.43 2.23 0.30 0.89 2.96 -0.14 -4.92 118.68 118.56 3cff s LEU 170 Ca 0.01 -0.58 0.05 0.00 -0.22 0.00 0.00 54.13 53.40 3cff s LEU 170 Cb -0.09 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 3cff s LEU 170 CO 0.02 0.06 0.43 0.54 -1.32 0.00 0.00 176.35 176.08 3cff s ASN 171 N 0.97 6.17 0.15 3.68 2.20 -1.26 -0.06 114.94 126.78 3cff s ASN 171 Ca -0.03 0.03 -0.16 0.00 -0.94 0.00 0.00 52.86 51.75 3cff s ASN 171 Cb -0.15 -1.64 0.03 0.00 -2.00 0.00 0.00 41.25 37.50 3cff s ASN 171 CO -0.04 -0.25 0.44 0.00 -2.94 0.00 0.00 177.10 174.30 3cff s ARG 173 N -3.83 2.63 -0.26 0.00 3.52 0.00 -1.50 118.95 119.51 3cff s ARG 173 Ca 0.05 -0.78 -0.10 0.00 -0.13 0.00 0.00 55.73 54.77 3cff s ARG 173 Cb 0.01 -2.06 -0.05 0.00 -1.56 0.00 0.00 34.95 31.29 3cff s ARG 173 CO -0.09 0.19 0.16 -0.51 -0.81 0.00 0.00 175.30 174.24 3cff s LEU 174 N 0.28 3.91 -0.39 -0.88 1.02 0.83 -0.65 118.68 122.80 3cff s LEU 174 Ca -0.14 -0.02 -0.08 0.00 0.02 0.00 0.00 54.13 53.91 3cff s LEU 174 Cb -0.16 -2.07 0.07 0.00 0.02 0.00 0.00 46.19 44.04 3cff s LEU 174 CO 0.07 -0.02 0.21 -1.00 0.02 0.00 0.00 176.35 175.63 3cff s HIS 175 N 1.55 3.34 0.02 0.29 3.76 -0.40 -2.44 115.29 121.41 3cff s HIS 175 Ca 0.07 -1.60 0.08 0.00 -0.15 0.00 0.00 55.06 53.46 3cff s HIS 175 Cb -0.15 -2.79 -0.03 0.00 1.11 0.00 0.00 32.58 30.72 3cff s HIS 175 CO 0.08 -0.83 -0.24 0.99 -0.85 0.00 0.00 174.74 173.89 3cff s THR 176 N 1.38 2.27 -0.12 1.30 2.01 0.03 -2.16 115.64 120.36 3cff s THR 176 Ca 0.02 -1.23 0.03 0.00 0.31 0.00 0.00 61.69 60.82 3cff s THR 176 Cb -0.22 -1.86 0.01 0.00 0.01 0.00 0.00 72.50 70.43 3cff s THR 176 CO 0.02 0.44 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.29 3cff s THR 177 N -0.76 1.88 -0.21 -0.82 2.01 -0.37 -0.92 115.64 116.45 3cff s THR 177 Ca 0.12 -0.89 -0.09 0.00 0.31 0.00 0.00 61.69 61.14 3cff s THR 177 Cb -0.10 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 3cff s THR 177 CO 0.01 0.52 0.10 -0.31 -0.69 0.00 0.00 174.62 174.25 3cff s TYR 178 N 0.71 3.26 -0.26 4.92 2.02 0.17 -1.43 117.35 126.74 3cff s TYR 178 Ca -0.11 0.08 0.02 0.00 -0.37 0.00 0.00 57.07 56.69 3cff s TYR 178 Cb -0.16 -2.16 0.07 0.00 -0.40 0.00 0.00 41.96 39.31 3cff s TYR 178 CO 0.02 0.08 -0.04 1.03 -1.57 0.00 0.00 175.55 175.06 3cff s ARG 179 N 0.71 1.73 0.49 -0.62 0.52 0.25 -2.34 118.95 119.68 3cff s ARG 179 Ca 0.05 -1.24 -0.23 0.00 -0.52 0.00 0.00 55.73 53.79 3cff s ARG 179 Cb -0.13 -2.74 -0.06 0.00 0.52 0.00 0.00 34.95 32.54 3cff s ARG 179 CO 0.02 -0.67 1.28 0.45 0.02 0.00 0.00 175.30 176.40 3cff s SER 180 N 1.24 5.79 0.00 0.23 0.15 -1.26 -0.94 113.70 118.91 3cff s SER 180 Ca -0.03 2.59 0.27 0.00 0.70 0.00 0.00 55.95 59.47 3cff s SER 180 Cb -0.19 -2.62 1.05 0.00 -1.71 0.00 0.00 66.02 62.55 3cff s SER 180 CO -0.07 -1.20 1.74 0.29 1.20 0.00 0.00 173.24 175.19 3cff n LYS 181 N -0.61 1.63 -3.12 5.44 5.02 -0.50 -4.87 118.16 121.14 3cff n LYS 181 Ca 0.08 -0.91 -0.35 0.00 -2.02 0.00 0.00 58.31 55.10 3cff n LYS 181 Cb 0.46 -1.46 -0.06 0.00 -0.02 0.00 0.00 35.03 33.94 3cff n LYS 181 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3cff s LYS 182 N -1.96 4.17 0.60 1.97 1.02 -1.26 -4.93 119.74 119.35 3cff s LYS 182 Ca 0.37 0.80 -0.19 0.00 0.02 0.00 0.00 55.97 56.98 3cff s LYS 182 Cb 0.20 -2.75 -0.03 0.00 -0.52 0.00 0.00 37.83 34.73 3cff s LYS 182 CO 0.32 0.33 1.22 -1.25 -0.92 0.00 0.00 175.35 175.05 3cff s PRO 183 N -2.26 2.93 0.51 -1.68 0.04 -1.26 -4.90 135.00 128.38 3cff s PRO 183 Ca 0.46 1.85 0.26 0.00 0.04 0.00 0.00 61.00 63.61 3cff s PRO 183 Cb -0.15 -1.92 1.37 0.00 0.04 0.00 0.00 34.50 33.84 3cff s PRO 183 CO 0.20 -1.24 1.92 0.00 0.04 0.00 0.00 177.00 177.92 3cff h ALA 184 N 0.85 2.60 0.00 8.56 0.00 -1.94 -1.59 119.26 127.74 3cff h ALA 184 Ca -0.50 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3cff h ALA 184 Cb 1.30 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 3cff h ALA 184 CO 0.55 -0.82 -0.04 0.66 0.00 0.00 0.00 179.25 179.60 3cff h SER 185 N 0.09 0.00 -0.31 0.00 4.64 -2.02 -2.57 113.55 113.39 3cff h SER 185 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3cff h SER 185 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 3cff h SER 185 CO -0.04 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3cff n ALA 186 N -2.22 2.38 -2.51 5.18 0.00 -0.60 -4.98 120.51 117.76 3cff n ALA 186 Ca -0.02 -0.95 -0.32 0.00 0.00 0.00 0.00 53.44 52.15 3cff n ALA 186 Cb 0.15 -0.68 -0.15 0.00 0.00 0.00 0.00 19.45 18.77 3cff n ALA 186 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3cff s LEU 187 N -1.26 2.23 -0.42 0.00 1.02 -0.97 -5.04 118.68 114.24 3cff s LEU 187 Ca 0.30 -0.42 -0.16 0.00 0.02 0.00 0.00 54.13 53.87 3cff s LEU 187 Cb 0.18 -1.41 0.02 0.00 0.02 0.00 0.00 46.19 45.00 3cff s LEU 187 CO 0.25 0.29 0.35 -0.75 0.02 0.00 0.00 176.35 176.52 3cff s LYS 188 N -0.45 3.01 0.02 1.70 2.47 -1.26 -4.99 119.74 120.25 3cff s LYS 188 Ca 0.05 -0.94 -0.30 0.00 -1.56 0.00 0.00 55.97 53.21 3cff s LYS 188 Cb -0.12 -3.98 -0.04 0.00 -1.46 0.00 0.00 37.83 32.23 3cff s LYS 188 CO 0.01 -0.80 1.14 -1.64 0.16 0.00 0.00 175.35 174.22 3cff s MET 189 N 1.84 4.45 0.61 4.03 -1.94 -1.26 -4.69 119.30 122.34 3cff s MET 189 Ca 0.07 1.66 -0.17 0.00 -1.71 0.00 0.00 55.69 55.55 3cff s MET 189 Cb -0.19 -3.42 -0.03 0.00 2.01 0.00 0.00 34.83 33.21 3cff s MET 189 CO 0.11 -0.25 1.12 -1.25 -0.01 0.00 0.00 175.02 174.74 3cff s PRO 190 N 1.30 3.03 1.05 2.03 0.04 -1.26 -4.93 135.00 136.26 3cff s PRO 190 Ca 0.56 1.50 -0.13 0.00 0.04 0.00 0.00 61.00 62.97 3cff s PRO 190 Cb -0.26 -1.97 0.22 0.00 0.04 0.00 0.00 34.50 32.52 3cff s PRO 190 CO 0.27 -1.08 1.08 -1.21 0.04 0.00 0.00 177.00 176.10 3cff s GLU 191 N -3.74 0.00 0.11 4.56 0.41 -1.26 -4.50 118.70 114.28 3cff s GLU 191 Ca 0.70 0.52 -0.35 0.00 -0.41 0.00 0.00 54.97 55.43 3cff s GLU 191 Cb -0.22 -1.69 -0.15 0.00 -1.78 0.00 0.00 34.13 30.29 3cff s GLU 191 CO 0.35 -3.02 1.51 0.34 -0.49 0.00 0.00 175.26 173.95 3cff n PHE 192 N -4.38 1.99 -3.92 1.61 7.35 -1.26 -4.76 117.46 114.10 3cff n PHE 192 Ca 0.05 0.40 -0.11 0.00 -0.76 0.00 0.00 57.45 57.02 3cff n PHE 192 Cb 0.57 -2.47 0.00 0.00 0.35 0.00 0.00 39.48 37.93 3cff n PHE 192 CO 0.00 0.00 0.00 -3.38 -0.76 0.00 0.00 176.76 172.62 3cff s HIS 193 N 1.01 0.53 0.05 -5.13 -3.43 -0.63 -4.95 115.29 102.75 3cff s HIS 193 Ca 0.82 -1.05 0.08 0.00 -0.80 0.00 0.00 55.06 54.12 3cff s HIS 193 Cb -0.79 0.49 -0.03 0.00 -1.43 0.00 0.00 32.58 30.81 3cff s HIS 193 CO 0.43 -1.44 -0.23 -0.06 -2.00 0.00 0.00 174.74 171.44 3cff s PHE 194 N -2.43 2.43 -0.18 0.38 0.08 -0.07 -1.14 117.98 117.04 3cff s PHE 194 Ca 0.22 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 56.94 3cff s PHE 194 Cb -0.03 -1.41 0.02 0.00 -0.57 0.00 0.00 43.02 41.02 3cff s PHE 194 CO 0.16 0.20 -0.19 -1.21 -0.10 0.00 0.00 175.22 174.08 3cff s GLU 195 N -1.40 3.03 0.01 0.44 2.02 0.02 -0.59 118.70 122.24 3cff s GLU 195 Ca 0.13 -0.81 -0.23 0.00 0.02 0.00 0.00 54.97 54.08 3cff s GLU 195 Cb -0.10 -2.60 -0.05 0.00 0.10 0.00 0.00 34.13 31.47 3cff s GLU 195 CO 0.04 -0.19 0.69 -0.51 0.02 0.00 0.00 175.26 175.30 3cff s ASP 196 N 1.27 7.09 -0.03 -0.19 1.01 0.16 -0.48 116.67 125.50 3cff s ASP 196 Ca 0.04 1.30 0.02 0.00 0.71 0.00 0.00 52.55 54.62 3cff s ASP 196 Cb -0.13 -2.42 0.00 0.00 1.01 0.00 0.00 42.92 41.38 3cff s ASP 196 CO -0.11 0.04 -0.10 -1.00 0.21 0.00 0.00 175.17 174.21 3cff s HIS 197 N -0.02 1.04 -0.12 4.23 3.76 0.59 -1.65 115.29 123.12 3cff s HIS 197 Ca 0.35 -0.28 0.01 0.00 -0.15 0.00 0.00 55.06 54.99 3cff s HIS 197 Cb -0.19 -0.75 0.02 0.00 1.11 0.00 0.00 32.58 32.77 3cff s HIS 197 CO 0.20 -0.13 -0.14 0.50 -0.85 0.00 0.00 174.74 174.33 3cff s ARG 198 N 0.27 2.13 -0.14 1.40 3.52 -0.15 -0.12 118.95 125.86 3cff s ARG 198 Ca -0.05 -0.51 0.00 0.00 -0.13 0.00 0.00 55.73 55.04 3cff s ARG 198 Cb -0.10 -1.91 -0.01 0.00 -1.56 0.00 0.00 34.95 31.38 3cff s ARG 198 CO 0.01 -0.15 -0.14 0.42 -0.81 0.00 0.00 175.30 174.62 3cff s ILE 199 N 1.26 2.83 -0.05 4.11 1.01 -1.26 -1.66 121.20 127.44 3cff s ILE 199 Ca -0.01 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.94 3cff s ILE 199 Cb -0.14 -2.19 0.01 0.00 0.01 0.00 0.00 42.46 40.15 3cff s ILE 199 CO -0.06 0.52 -0.11 -1.61 0.00 0.00 0.00 174.94 173.68 3cff s GLU 200 N 0.61 1.43 -0.00 2.79 2.02 0.12 -4.52 118.70 121.14 3cff s GLU 200 Ca -0.08 -0.37 0.07 0.00 0.02 0.00 0.00 54.97 54.61 3cff s GLU 200 Cb -0.16 -1.23 -0.02 0.00 0.10 0.00 0.00 34.13 32.82 3cff s GLU 200 CO 0.03 0.05 -0.22 0.08 0.02 0.00 0.00 175.26 175.22 3cff s VAL 201 N 0.54 1.76 -0.14 2.63 1.01 -1.26 -0.43 120.40 124.51 3cff s VAL 201 Ca -0.11 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 60.88 3cff s VAL 201 Cb -0.14 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.78 3cff s VAL 201 CO 0.02 0.44 -0.21 -0.54 0.00 0.00 0.00 175.10 174.82 3cff s LYS 202 N -0.67 2.88 -0.48 2.72 1.02 0.31 -4.98 119.74 120.55 3cff s LYS 202 Ca 0.09 -0.80 -0.26 0.00 0.02 0.00 0.00 55.97 55.02 3cff s LYS 202 Cb -0.09 -2.36 0.03 0.00 -0.52 0.00 0.00 37.83 34.89 3cff s LYS 202 CO -0.00 -0.05 0.95 -2.00 -0.92 0.00 0.00 175.35 173.33 3cff s GLU 203 N 0.92 3.52 -0.15 1.68 2.12 -1.26 -0.41 118.70 125.12 3cff s GLU 203 Ca -0.05 0.15 -0.25 0.00 0.36 0.00 0.00 54.97 55.18 3cff s GLU 203 Cb -0.15 -3.94 -0.22 0.00 0.26 0.00 0.00 34.13 30.08 3cff s GLU 203 CO -0.03 -1.28 0.59 0.28 -0.54 0.00 0.00 175.26 174.28 3cff h VAL 204 N 6.09 1.44 -3.52 3.70 2.07 -1.04 -3.45 116.25 121.55 3cff h VAL 204 Ca -0.24 -2.16 -0.55 0.00 0.82 0.00 0.00 66.70 64.57 3cff h VAL 204 Cb 1.07 2.80 -0.33 0.00 -1.52 0.00 0.00 31.29 33.32 3cff h VAL 204 CO 1.04 0.49 -0.83 -1.58 0.02 0.00 0.00 177.57 176.72 3cff s GLN 205 N -2.18 1.90 -0.24 1.57 0.74 -0.72 -4.96 119.66 115.76 3cff s GLN 205 Ca -0.19 -0.52 -0.37 0.00 0.05 0.00 0.00 55.36 54.33 3cff s GLN 205 Cb -0.01 -1.55 -0.13 0.00 1.10 0.00 0.00 33.01 32.41 3cff s GLN 205 CO 0.60 0.10 1.92 1.17 -0.55 0.00 0.00 175.29 178.52 3cff n LYS 206 N 3.62 1.44 -0.95 1.67 4.81 -1.26 -1.33 118.16 126.15 3cff n LYS 206 Ca -0.21 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 3cff n LYS 206 Cb 0.52 -2.37 0.00 0.00 0.02 0.00 0.00 35.03 33.20 3cff n LYS 206 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cff n GLY 207 N 4.95 0.21 0.14 3.14 0.00 -1.26 -4.75 105.19 107.61 3cff n GLY 207 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3cff n GLY 207 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cff n LYS 208 N -0.68 0.00 -4.20 1.61 5.02 -0.44 -5.08 118.16 114.39 3cff n LYS 208 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 3cff n LYS 208 Cb 0.27 -0.68 -0.17 0.00 -0.02 0.00 0.00 35.03 34.43 3cff n LYS 208 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3cff s HIS 209 N -1.49 1.36 0.17 2.13 3.76 -0.77 -4.96 115.29 115.48 3cff s HIS 209 Ca 0.00 -0.58 0.06 0.00 -0.15 0.00 0.00 55.06 54.40 3cff s HIS 209 Cb 0.00 -1.09 -0.04 0.00 1.11 0.00 0.00 32.58 32.56 3cff s HIS 209 CO 0.00 -0.38 -0.13 0.71 -0.85 0.00 0.00 174.74 174.10 3cff s TYR 210 N 1.22 1.47 -0.02 1.40 2.02 -1.26 -0.36 117.35 121.82 3cff s TYR 210 Ca -0.05 -0.65 0.06 0.00 -0.37 0.00 0.00 57.07 56.06 3cff s TYR 210 Cb -0.14 -0.72 -0.01 0.00 -0.40 0.00 0.00 41.96 40.69 3cff s TYR 210 CO -0.02 0.21 -0.20 -1.21 -1.57 0.00 0.00 175.55 172.76 3cff s GLU 211 N -3.53 1.71 -0.04 -0.62 2.02 0.45 -4.88 118.70 113.81 3cff s GLU 211 Ca 0.18 -0.71 0.02 0.00 0.02 0.00 0.00 54.97 54.48 3cff s GLU 211 Cb -0.00 -1.61 0.01 0.00 0.10 0.00 0.00 34.13 32.64 3cff s GLU 211 CO 0.04 0.39 -0.08 -1.14 0.02 0.00 0.00 175.26 174.49 3cff s GLN 212 N -0.35 1.05 -0.03 1.61 0.74 -1.26 -0.53 119.66 120.89 3cff s GLN 212 Ca 0.05 -0.25 0.06 0.00 0.05 0.00 0.00 55.36 55.27 3cff s GLN 212 Cb -0.09 -0.96 -0.02 0.00 1.10 0.00 0.00 33.01 33.04 3cff s GLN 212 CO 0.00 0.03 -0.21 -0.47 -0.55 0.00 0.00 175.29 174.09 3cff s TYR 213 N 0.53 2.48 0.00 1.67 5.04 0.43 -4.99 117.35 122.52 3cff s TYR 213 Ca -0.08 -0.33 0.01 0.00 -2.44 0.00 0.00 57.07 54.22 3cff s TYR 213 Cb -0.12 -1.55 -0.00 0.00 0.35 0.00 0.00 41.96 40.63 3cff s TYR 213 CO 0.01 0.05 -0.03 -2.00 -1.34 0.00 0.00 175.55 172.24 3cff s GLU 214 N -0.65 0.25 -0.05 4.97 2.12 -1.26 -0.71 118.70 123.38 3cff s GLU 214 Ca 0.10 -0.18 0.04 0.00 0.36 0.00 0.00 54.97 55.30 3cff s GLU 214 Cb -0.10 -0.20 -0.00 0.00 0.26 0.00 0.00 34.13 34.08 3cff s GLU 214 CO -0.00 0.05 -0.18 0.00 -0.54 0.00 0.00 175.26 174.58 3cff s ALA 215 N -0.25 1.62 0.00 6.30 0.00 -0.66 -4.99 121.76 123.79 3cff s ALA 215 Ca -0.01 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.21 3cff s ALA 215 Cb -0.02 -0.54 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 3cff s ALA 215 CO -0.00 0.29 -0.01 0.00 0.00 0.00 0.00 175.76 176.04 3cff s ALA 216 N 0.03 0.09 -0.02 0.00 0.00 -1.26 -0.97 121.76 119.63 3cff s ALA 216 Ca -0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 51.96 51.80 3cff s ALA 216 Cb -0.12 0.00 0.03 0.00 0.00 0.00 0.00 23.12 23.03 3cff s ALA 216 CO 0.03 -0.00 0.03 0.08 0.00 0.00 0.00 175.76 175.89 3cff s VAL 217 N -0.21 -0.06 -0.16 0.00 1.01 -0.66 -1.94 120.40 118.38 3cff s VAL 217 Ca -0.02 0.20 -0.07 0.00 0.00 0.00 0.00 61.98 62.09 3cff s VAL 217 Cb -0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.25 3cff s VAL 217 CO -0.00 0.08 0.08 0.00 0.00 0.00 0.00 175.10 175.26 3cff s ALA 218 N 0.99 3.53 0.25 5.51 0.00 0.59 -0.66 121.76 131.96 3cff s ALA 218 Ca -0.08 -0.72 -0.19 0.00 0.00 0.00 0.00 51.96 50.97 3cff s ALA 218 Cb -0.12 -1.92 0.02 0.00 0.00 0.00 0.00 23.12 21.10 3cff s ALA 218 CO -0.03 0.31 0.62 -0.98 0.00 0.00 0.00 175.76 175.68 3cff s ARG 219 N -0.05 1.61 0.00 0.00 1.70 0.24 -1.64 118.95 120.82 3cff s ARG 219 Ca 0.07 -0.97 0.00 0.00 -0.47 0.00 0.00 55.73 54.36 3cff s ARG 219 Cb -0.12 0.56 0.00 0.00 -0.57 0.00 0.00 34.95 34.82 3cff s ARG 219 CO 0.01 -0.71 0.00 0.66 -1.08 0.00 0.00 175.30 174.17 3cff n TYR 220 N -0.41 0.00 0.00 5.89 4.01 -1.26 -0.89 117.16 124.49 3cff n TYR 220 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 3cff n TYR 220 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 3cff n TYR 220 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3cff n ASP 222 N 0.00 0.00 0.02 7.72 9.92 -1.26 -4.91 116.55 128.04 3cff n ASP 222 Ca 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.24 3cff n ASP 222 Cb 0.00 0.00 0.23 0.00 -0.64 0.00 0.00 41.12 40.71 3cff n ASP 222 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3cff h ALA 223 N 0.00 1.17 -3.36 2.24 0.00 -2.04 -3.37 119.26 113.90 3cff h ALA 223 Ca 0.00 -0.31 -0.63 0.00 0.00 0.00 0.00 54.91 53.97 3cff h ALA 223 Cb 0.00 -0.12 -0.40 0.00 0.00 0.00 0.00 17.79 17.27 3cff h ALA 223 CO 0.00 0.53 -0.72 0.00 0.00 0.00 0.00 179.25 179.06 3cff s ALA 224 N -4.57 2.47 0.51 0.00 0.00 -1.26 -5.12 121.76 113.78 3cff s ALA 224 Ca -0.07 -2.44 -0.17 0.00 0.00 0.00 0.00 51.96 49.28 3cff s ALA 224 Cb 0.14 -1.90 -0.08 0.00 0.00 0.00 0.00 23.12 21.29 3cff s ALA 224 CO 0.78 -1.81 0.99 -1.25 0.00 0.00 0.00 175.76 174.47 3cff s PRO 225 N 0.79 3.89 0.60 0.00 0.04 -1.26 -5.05 135.00 134.00 3cff s PRO 225 Ca 0.13 1.03 -0.14 0.00 0.04 0.00 0.00 61.00 62.06 3cff s PRO 225 Cb -0.21 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 3cff s PRO 225 CO -0.10 -0.32 1.04 0.45 0.04 0.00 0.00 177.00 178.10 3cff s SER 226 N -2.85 5.97 -0.09 6.66 0.15 -1.26 -4.98 113.70 117.30 3cff s SER 226 Ca 0.60 1.66 0.13 0.00 0.70 0.00 0.00 55.95 59.05 3cff s SER 226 Cb -0.11 -2.51 0.39 0.00 -1.71 0.00 0.00 66.02 62.08 3cff s SER 226 CO 0.29 -1.04 1.31 0.29 1.20 0.00 0.00 173.24 175.29 3cff n LYS 227 N -2.22 2.81 0.00 5.44 5.02 -1.26 -4.50 118.16 123.44 3cff n LYS 227 Ca 0.08 -2.42 0.00 0.00 -2.02 0.00 0.00 58.31 53.95 3cff n LYS 227 Cb 0.53 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 3cff n LYS 227 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3cff n LEU 228 N -0.16 0.56 0.00 -0.35 4.77 -1.26 -5.01 117.00 115.55 3cff n LEU 228 Ca 0.16 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 3cff n LEU 228 Cb 0.65 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 3cff n LEU 228 CO 0.10 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 3cff n GLY 229 N 0.18 0.44 3.79 -0.72 0.00 -1.26 -5.06 105.19 102.55 3cff n GLY 229 Ca 0.00 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 3cff n GLY 229 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cff s HIS 230 N -2.00 2.82 -2.00 1.61 3.76 -1.26 -5.08 115.29 113.14 3cff s HIS 230 Ca 0.00 1.51 0.08 0.00 -0.15 0.00 0.00 55.06 56.50 3cff s HIS 230 Cb 0.00 -3.02 0.45 0.00 1.11 0.00 0.00 32.58 31.12 3cff s HIS 230 CO 0.00 -1.47 0.91 0.72 -0.85 0.00 0.00 174.74 174.05