#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 -2.68 118.16 118.03 3cff n LYS 67 Ca 0.00 0.07 0.10 0.00 -2.87 0.00 0.00 58.31 55.61 3cff n LYS 67 Cb 0.00 -1.50 0.59 0.00 -1.84 0.00 0.00 35.03 32.28 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 0.65 -3.27 -0.18 2.02 -2.03 -3.36 112.91 106.74 3cff h THR 68 Ca 0.00 -0.84 -0.80 0.00 0.77 0.00 0.00 66.41 65.54 3cff h THR 68 Cb 0.26 1.54 -0.28 0.00 -1.74 0.00 0.00 68.15 67.93 3cff h THR 68 CO 0.00 0.19 0.62 0.49 0.37 0.00 0.00 175.52 177.18 3cff n PHE 69 N -3.60 4.05 -4.08 3.16 3.72 -1.09 -4.87 117.46 114.74 3cff n PHE 69 Ca -0.01 -3.36 -0.17 0.00 -0.05 0.00 0.00 57.45 53.86 3cff n PHE 69 Cb 0.33 -1.54 -0.15 0.00 -0.94 0.00 0.00 39.48 37.18 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 -1.85 0.35 -0.35 4.37 1.01 -1.26 -4.44 121.20 119.02 3cff s ILE 70 Ca 0.31 -0.10 -0.24 0.00 0.00 0.00 0.00 60.65 60.63 3cff s ILE 70 Cb -0.04 -0.35 0.01 0.00 0.01 0.00 0.00 42.46 42.09 3cff s ILE 70 CO -0.00 0.14 0.82 -0.75 0.00 0.00 0.00 174.94 175.14 3cff s LYS 71 N 0.45 3.81 -0.12 2.79 2.20 -0.74 -4.92 119.74 123.21 3cff s LYS 71 Ca -0.05 0.42 -0.16 0.00 -0.36 0.00 0.00 55.97 55.83 3cff s LYS 71 Cb -0.08 -3.79 -0.05 0.00 -1.51 0.00 0.00 37.83 32.40 3cff s LYS 71 CO -0.01 -0.84 0.39 0.71 -0.36 0.00 0.00 175.35 175.24 3cff s TYR 72 N 3.15 3.52 0.36 4.03 1.51 -1.26 -0.19 117.35 128.48 3cff s TYR 72 Ca 0.33 0.78 0.09 0.00 -1.01 0.00 0.00 57.07 57.26 3cff s TYR 72 Cb -0.13 -2.42 -0.07 0.00 -0.11 0.00 0.00 41.96 39.23 3cff s TYR 72 CO 0.16 0.27 -0.07 0.14 -1.11 0.00 0.00 175.55 174.95 3cff s VAL 73 N 0.29 2.17 -1.33 0.71 -7.23 -0.59 -4.85 120.40 109.58 3cff s VAL 73 Ca 0.22 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 3cff s VAL 73 Cb -0.14 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 34.05 3cff s VAL 73 CO 0.08 -0.15 0.00 -1.20 -0.31 0.00 0.00 175.10 173.52 3cff n SER 74 N -0.84 -4.56 -1.55 4.85 7.64 -1.26 -3.19 113.62 114.71 3cff n SER 74 Ca -0.05 0.05 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 3cff n SER 74 Cb 0.64 -3.65 -0.02 0.00 -1.01 0.00 0.00 64.21 60.17 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 -1.04 0.23 3.69 0.23 0.00 -1.26 -4.99 105.19 102.05 3cff n GLY 75 Ca -0.17 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.69 4.80 0.42 -0.61 1.01 -1.19 -5.03 121.20 117.91 3cff s ILE 76 Ca 0.00 2.02 -0.25 0.00 0.00 0.00 0.00 60.65 62.42 3cff s ILE 76 Cb 0.00 -4.30 -0.08 0.00 0.01 0.00 0.00 42.46 38.08 3cff s ILE 76 CO 0.00 0.02 1.30 -2.16 0.00 0.00 0.00 174.94 174.09 3cff s PRO 77 N 1.96 3.87 -0.65 2.79 0.04 -1.26 -4.81 135.00 136.93 3cff s PRO 77 Ca 0.48 2.13 -0.15 0.00 0.04 0.00 0.00 61.00 63.50 3cff s PRO 77 Cb -0.18 -2.67 0.16 0.00 0.04 0.00 0.00 34.50 31.85 3cff s PRO 77 CO 0.18 -0.57 0.61 0.34 0.04 0.00 0.00 177.00 177.60 3cff s ASP 78 N -0.81 6.41 0.46 6.66 -1.08 -1.26 -4.54 116.67 122.51 3cff s ASP 78 Ca 0.59 -2.13 0.12 0.00 -0.52 0.00 0.00 52.55 50.61 3cff s ASP 78 Cb -0.37 -2.21 1.06 0.00 -1.46 0.00 0.00 42.92 39.93 3cff s ASP 78 CO 0.48 -0.75 2.09 0.22 0.52 0.00 0.00 175.17 177.72 3cff h TYR 79 N 8.47 0.29 0.01 -5.34 3.20 -1.94 -1.78 116.97 119.88 3cff h TYR 79 Ca -0.14 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.71 3cff h TYR 79 Cb 1.08 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.25 3cff h TYR 79 CO 0.85 0.17 -0.14 0.74 -1.64 0.00 0.00 178.16 178.14 3cff h PHE 80 N 0.30 0.04 -0.20 -3.82 0.04 -1.91 -3.14 116.94 108.25 3cff h PHE 80 Ca 0.11 -0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.77 3cff h PHE 80 Cb 0.06 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 3cff h PHE 80 CO -0.00 1.05 -0.20 0.87 -0.60 0.00 0.00 178.31 179.43 3cff h LYS 81 N -0.95 0.36 0.00 1.51 1.57 -1.87 -2.17 116.57 115.03 3cff h LYS 81 Ca -0.03 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3cff h LYS 81 Cb 1.07 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 3cff h LYS 81 CO -0.00 0.55 -0.02 1.96 -0.57 0.00 0.00 179.45 181.37 3cff h GLN 82 N 0.33 0.00 0.00 3.15 4.20 -1.42 -3.01 115.11 118.36 3cff h GLN 82 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3cff h GLN 82 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 3cff h GLN 82 CO 0.04 0.02 0.00 0.43 -0.67 0.00 0.00 178.83 178.65 3cff n SER 83 N -4.12 0.54 -4.80 1.46 7.64 -0.81 -4.77 113.62 108.76 3cff n SER 83 Ca -0.03 0.61 -0.35 0.00 1.01 0.00 0.00 58.87 60.12 3cff n SER 83 Cb 0.11 -0.73 -0.06 0.00 -1.01 0.00 0.00 64.21 62.51 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 -3.20 3.43 -0.73 1.43 0.08 -1.14 -0.18 117.98 117.67 3cff s PHE 84 Ca 0.06 1.67 0.26 0.00 0.12 0.00 0.00 56.93 59.05 3cff s PHE 84 Cb 0.10 -2.90 0.80 0.00 -0.57 0.00 0.00 43.02 40.45 3cff s PHE 84 CO 0.41 -0.06 1.77 -0.35 -0.10 0.00 0.00 175.22 176.90 3cff n PRO 85 N -0.19 0.27 -0.14 0.24 -0.04 -1.26 -4.85 135.00 129.02 3cff n PRO 85 Ca 0.05 0.22 0.04 0.00 -0.04 0.00 0.00 63.50 63.77 3cff n PRO 85 Cb 0.52 -1.81 0.34 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.77 0.00 0.54 3.07 -1.78 -3.40 114.58 113.78 3cff h GLU 86 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 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 0.51 0.00 0.41 -1.40 0.00 0.00 179.01 178.53 3cff n GLY 87 N -1.45 -1.84 3.58 -3.84 0.00 0.74 -4.79 105.19 97.60 3cff n GLY 87 Ca 0.08 -1.63 -0.09 0.00 0.00 0.00 0.00 46.02 44.38 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 0.29 1.61 -0.12 -0.87 -1.48 117.98 117.51 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 -0.98 -0.11 0.95 -0.05 0.00 0.00 175.22 175.03 3cff s THR 89 N -3.94 2.01 0.05 -4.49 -4.23 0.04 -0.48 115.64 104.59 3cff s THR 89 Ca 0.15 -2.22 -0.04 0.00 -1.18 0.00 0.00 61.69 58.40 3cff s THR 89 Cb -0.01 -2.41 -0.02 0.00 1.34 0.00 0.00 72.50 71.39 3cff s THR 89 CO 0.03 -0.34 0.05 -1.66 -0.54 0.00 0.00 174.62 172.16 3cff s TRP 90 N -2.78 0.33 -0.05 3.99 1.48 -0.59 -0.51 118.94 120.81 3cff s TRP 90 Ca 0.29 -0.75 -0.04 0.00 -1.06 0.00 0.00 56.10 54.54 3cff s TRP 90 Cb 0.01 -0.23 0.01 0.00 -1.16 0.00 0.00 33.47 32.10 3cff s TRP 90 CO 0.13 -0.38 0.12 -1.83 -4.06 0.00 0.00 176.95 170.93 3cff s GLU 91 N -3.22 0.14 -0.14 3.25 -1.05 -0.51 -0.58 118.70 116.59 3cff s GLU 91 Ca 0.00 0.17 -0.15 0.00 -0.15 0.00 0.00 54.97 54.85 3cff s GLU 91 Cb 0.03 0.07 0.04 0.00 -0.44 0.00 0.00 34.13 33.82 3cff s GLU 91 CO -0.07 -0.02 0.41 0.50 0.95 0.00 0.00 175.26 177.03 3cff s ARG 92 N 0.07 0.51 -0.13 -4.83 3.52 -0.30 -1.16 118.95 116.63 3cff s ARG 92 Ca -0.00 0.50 0.03 0.00 -0.13 0.00 0.00 55.73 56.13 3cff s ARG 92 Cb -0.01 0.25 0.01 0.00 -1.56 0.00 0.00 34.95 33.63 3cff s ARG 92 CO 0.00 -0.07 -0.22 0.99 -0.81 0.00 0.00 175.30 175.18 3cff s THR 93 N 0.05 2.07 -0.24 4.11 2.01 -0.86 -0.78 115.64 122.00 3cff s THR 93 Ca -0.01 -0.99 -0.09 0.00 0.31 0.00 0.00 61.69 60.91 3cff s THR 93 Cb -0.03 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 3cff s THR 93 CO 0.01 0.55 0.11 -0.89 -0.69 0.00 0.00 174.62 173.72 3cff s THR 94 N 0.68 4.88 -0.23 -0.82 2.01 0.62 -1.20 115.64 121.59 3cff s THR 94 Ca -0.10 0.02 -0.06 0.00 0.31 0.00 0.00 61.69 61.85 3cff s THR 94 Cb -0.16 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 69.05 3cff s THR 94 CO 0.01 0.35 0.02 0.42 -0.69 0.00 0.00 174.62 174.74 3cff s THR 95 N 1.22 4.00 0.11 -0.82 -4.23 0.19 -1.10 115.64 115.02 3cff s THR 95 Ca 0.06 -0.28 -0.11 0.00 -1.18 0.00 0.00 61.69 60.18 3cff s THR 95 Cb -0.14 -2.84 -0.06 0.00 1.34 0.00 0.00 72.50 70.79 3cff s THR 95 CO 0.05 0.39 0.45 -0.31 -0.54 0.00 0.00 174.62 174.66 3cff s TYR 96 N 1.36 3.57 0.43 3.99 2.02 -0.04 -0.98 117.35 127.71 3cff s TYR 96 Ca 0.05 0.85 0.37 0.00 -0.37 0.00 0.00 57.07 57.97 3cff s TYR 96 Cb -0.15 -2.21 1.88 0.00 -0.40 0.00 0.00 41.96 41.08 3cff s TYR 96 CO 0.01 0.47 2.19 1.05 -1.57 0.00 0.00 175.55 177.70 3cff h GLU 97 N 3.52 0.00 -0.68 -0.62 4.11 -1.54 -1.82 114.58 117.55 3cff h GLU 97 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 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 0.02 0.00 -0.40 0.07 0.00 0.00 179.01 179.37 3cff n ASP 98 N -3.23 4.61 0.00 3.06 5.75 -1.26 -4.95 116.55 120.54 3cff n ASP 98 Ca -0.02 -2.35 0.00 0.00 -0.01 0.00 0.00 54.79 52.41 3cff n ASP 98 Cb 0.18 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 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 1.28 0.85 3.77 6.12 0.00 -0.68 -4.54 105.19 111.99 3cff n GLY 99 Ca 0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.07 2.56 -0.02 -0.02 0.00 -1.22 -4.59 107.32 101.95 3cff s GLY 100 Ca 0.00 0.79 0.03 0.00 0.00 0.00 0.00 44.72 45.54 3cff s GLY 100 CO 0.00 1.15 -0.11 -1.36 0.00 0.00 0.00 173.10 172.78 3cff s PHE 101 N -1.86 1.13 -0.18 1.90 0.08 -0.18 -0.86 117.98 118.02 3cff s PHE 101 Ca 0.72 -0.27 -0.00 0.00 0.12 0.00 0.00 56.93 57.49 3cff s PHE 101 Cb -0.24 -0.77 0.04 0.00 -0.57 0.00 0.00 43.02 41.48 3cff s PHE 101 CO 0.30 -0.09 -0.05 -1.17 -0.10 0.00 0.00 175.22 174.11 3cff s LEU 102 N 0.04 1.76 -0.08 -0.37 1.98 -0.26 -0.95 118.68 120.81 3cff s LEU 102 Ca -0.01 -0.75 0.01 0.00 -2.89 0.00 0.00 54.13 50.49 3cff s LEU 102 Cb -0.08 -0.96 -0.03 0.00 0.66 0.00 0.00 46.19 45.78 3cff s LEU 102 CO 0.01 -0.19 -0.09 -0.89 -1.89 0.00 0.00 176.35 173.29 3cff s THR 103 N 1.59 3.46 0.01 3.68 2.01 0.24 -0.27 115.64 126.36 3cff s THR 103 Ca -0.00 -0.55 -0.01 0.00 0.31 0.00 0.00 61.69 61.43 3cff s THR 103 Cb -0.16 -2.42 -0.01 0.00 0.01 0.00 0.00 72.50 69.92 3cff s THR 103 CO -0.08 0.57 0.01 0.00 -0.69 0.00 0.00 174.62 174.43 3cff s ALA 104 N -0.48 0.00 -0.03 7.40 0.00 0.04 -0.79 121.76 127.91 3cff s ALA 104 Ca 0.07 -0.25 0.06 0.00 0.00 0.00 0.00 51.96 51.84 3cff s ALA 104 Cb -0.12 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 3cff s ALA 104 CO 0.02 -0.09 -0.21 -1.58 0.00 0.00 0.00 175.76 173.90 3cff s HIS 105 N -0.75 1.92 -0.01 0.00 5.65 -0.59 -1.15 115.29 120.35 3cff s HIS 105 Ca -0.08 -0.42 0.03 0.00 0.25 0.00 0.00 55.06 54.83 3cff s HIS 105 Cb -0.05 -1.25 -0.01 0.00 -1.18 0.00 0.00 32.58 30.09 3cff s HIS 105 CO -0.00 -0.08 -0.10 -1.14 -0.65 0.00 0.00 174.74 172.77 3cff s GLN 106 N -0.36 0.77 -0.13 2.88 -0.44 0.25 -1.01 119.66 121.62 3cff s GLN 106 Ca 0.05 -0.36 -0.00 0.00 -2.50 0.00 0.00 55.36 52.55 3cff s GLN 106 Cb -0.09 -0.75 -0.01 0.00 -1.64 0.00 0.00 33.01 30.52 3cff s GLN 106 CO 0.00 0.20 -0.13 0.34 0.50 0.00 0.00 175.29 176.20 3cff s ASP 107 N -0.27 3.97 -0.18 6.67 -1.08 0.03 -1.54 116.67 124.27 3cff s ASP 107 Ca 0.03 -0.34 -0.01 0.00 -0.52 0.00 0.00 52.55 51.72 3cff s ASP 107 Cb -0.04 -1.61 0.00 0.00 -1.46 0.00 0.00 42.92 39.82 3cff s ASP 107 CO -0.00 0.16 -0.14 -0.89 0.52 0.00 0.00 175.17 174.81 3cff s THR 108 N 0.40 2.66 0.13 1.71 2.01 0.36 -1.43 115.64 121.48 3cff s THR 108 Ca -0.11 -0.75 0.06 0.00 0.31 0.00 0.00 61.69 61.21 3cff s THR 108 Cb -0.16 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 3cff s THR 108 CO 0.05 0.50 -0.15 -0.44 -0.69 0.00 0.00 174.62 173.89 3cff s SER 109 N 1.13 2.15 -0.22 3.53 0.01 -0.59 -2.04 113.70 117.67 3cff s SER 109 Ca 0.01 -0.82 -0.07 0.00 1.31 0.00 0.00 55.95 56.38 3cff s SER 109 Cb -0.14 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 65.97 3cff s SER 109 CO -0.05 -0.12 0.05 -0.22 0.41 0.00 0.00 173.24 173.32 3cff s LEU 110 N -2.48 3.48 -0.51 2.44 2.96 -1.26 -0.18 118.68 123.13 3cff s LEU 110 Ca 0.10 -0.14 0.04 0.00 -0.22 0.00 0.00 54.13 53.91 3cff s LEU 110 Cb -0.05 -1.91 0.13 0.00 0.50 0.00 0.00 46.19 44.86 3cff s LEU 110 CO 0.04 0.03 0.26 -0.62 -1.32 0.00 0.00 176.35 174.74 3cff s ASP 111 N 1.20 4.23 0.83 3.68 2.15 -1.26 -4.98 116.67 122.53 3cff s ASP 111 Ca 0.04 -2.97 0.00 0.00 0.43 0.00 0.00 52.55 50.05 3cff s ASP 111 Cb -0.14 -1.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.91 3cff s ASP 111 CO 0.03 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 3cff n GLY 112 N 3.16 1.55 2.55 2.66 0.00 -1.26 -4.74 105.19 109.11 3cff n GLY 112 Ca 0.05 0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 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 9.04 4.07 -3.96 1.61 5.68 -1.26 -5.21 116.55 126.52 3cff n ASP 113 Ca 0.00 -3.50 -0.18 0.00 -0.50 0.00 0.00 54.79 50.60 3cff n ASP 113 Cb 0.00 -0.67 -0.15 0.00 -1.14 0.00 0.00 41.12 39.15 3cff n ASP 113 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3cff s LEU 115 N -2.73 1.76 -0.17 -2.12 1.43 -1.26 -5.20 118.68 110.38 3cff s LEU 115 Ca 0.42 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 3cff s LEU 115 Cb 0.17 -0.42 0.02 0.00 0.03 0.00 0.00 46.19 46.00 3cff s LEU 115 CO -0.03 0.04 -0.20 -0.69 0.23 0.00 0.00 176.35 175.69 3cff s VAL 116 N 0.23 2.11 -0.14 -1.59 1.01 0.75 -4.93 120.40 117.85 3cff s VAL 116 Ca -0.03 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 60.97 3cff s VAL 116 Cb -0.07 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 3cff s VAL 116 CO 0.00 0.54 0.02 -0.31 0.00 0.00 0.00 175.10 175.35 3cff s TYR 117 N 1.19 3.19 -0.15 5.22 2.02 -1.26 -1.55 117.35 126.02 3cff s TYR 117 Ca 0.02 0.05 0.01 0.00 -0.37 0.00 0.00 57.07 56.78 3cff s TYR 117 Cb -0.14 -1.95 0.02 0.00 -0.40 0.00 0.00 41.96 39.50 3cff s TYR 117 CO -0.10 0.24 -0.15 0.15 -1.57 0.00 0.00 175.55 174.12 3cff s LYS 118 N -0.12 2.38 -0.05 -0.62 1.02 -0.51 -4.98 119.74 116.86 3cff s LYS 118 Ca 0.05 -0.60 0.06 0.00 0.02 0.00 0.00 55.97 55.51 3cff s LYS 118 Cb -0.12 -2.13 -0.01 0.00 -0.52 0.00 0.00 37.83 35.04 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 1.37 1.95 -0.06 3.17 1.01 -1.26 -0.79 120.40 125.78 3cff s VAL 119 Ca 0.03 -1.02 0.06 0.00 0.00 0.00 0.00 61.98 61.05 3cff s VAL 119 Cb -0.13 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 3cff s VAL 119 CO -0.09 0.55 -0.25 -0.54 0.00 0.00 0.00 175.10 174.77 3cff s LYS 120 N -0.20 2.58 -0.04 2.72 1.02 -0.18 -5.00 119.74 120.65 3cff s LYS 120 Ca -0.02 -0.90 0.03 0.00 0.02 0.00 0.00 55.97 55.10 3cff s LYS 120 Cb -0.13 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 35.02 3cff s LYS 120 CO 0.03 0.36 -0.11 0.42 -0.92 0.00 0.00 175.35 175.13 3cff s ILE 121 N -0.11 0.99 -0.11 2.17 -1.09 -1.26 -1.55 121.20 120.23 3cff s ILE 121 Ca -0.05 -0.46 -0.02 0.00 -2.23 0.00 0.00 60.65 57.90 3cff s ILE 121 Cb -0.14 -0.88 0.04 0.00 -1.58 0.00 0.00 42.46 39.90 3cff s ILE 121 CO 0.04 0.30 0.00 -0.76 -1.23 0.00 0.00 174.94 173.30 3cff s LEU 122 N 0.27 0.85 0.01 2.97 1.43 0.03 -5.01 118.68 119.23 3cff s LEU 122 Ca -0.06 -0.34 0.08 0.00 -1.03 0.00 0.00 54.13 52.79 3cff s LEU 122 Cb -0.11 -0.54 -0.02 0.00 0.03 0.00 0.00 46.19 45.54 3cff s LEU 122 CO 0.01 -0.22 -0.25 -0.83 0.23 0.00 0.00 176.35 175.29 3cff s GLY 123 N 1.90 1.35 0.18 -3.19 0.00 -1.26 -0.59 107.32 105.72 3cff s GLY 123 Ca 0.03 -1.18 -0.18 0.00 0.00 0.00 0.00 44.72 43.39 3cff s GLY 123 CO -0.06 -1.03 0.52 0.54 0.00 0.00 0.00 173.10 173.07 3cff s ASN 124 N -0.93 -0.30 -0.60 1.64 2.20 -0.12 -4.95 114.94 111.87 3cff s ASN 124 Ca 0.11 -0.40 0.00 0.00 -0.94 0.00 0.00 52.86 51.63 3cff s ASN 124 Cb -0.10 0.57 0.00 0.00 -2.00 0.00 0.00 41.25 39.72 3cff s ASN 124 CO 0.01 -1.02 0.00 0.59 -2.94 0.00 0.00 177.10 173.74 3cff n ASN 125 N -0.33 -5.06 -4.70 3.54 3.02 -1.26 -1.01 115.26 109.45 3cff n ASN 125 Ca -0.12 0.14 -0.42 0.00 -0.03 0.00 0.00 54.58 54.15 3cff n ASN 125 Cb 0.63 -3.06 -0.03 0.00 -0.61 0.00 0.00 39.78 36.71 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 -1.75 2.95 0.27 3.10 0.08 -1.26 -3.45 117.98 117.92 3cff s PHE 126 Ca 0.00 0.72 -0.30 0.00 0.12 0.00 0.00 56.93 57.47 3cff s PHE 126 Cb 0.00 -3.79 -0.10 0.00 -0.57 0.00 0.00 43.02 38.55 3cff s PHE 126 CO 0.00 -2.94 1.45 -2.14 -0.10 0.00 0.00 175.22 171.49 3cff s PRO 127 N 1.70 4.24 0.51 0.24 0.02 -1.26 -4.88 135.00 135.57 3cff s PRO 127 Ca 0.68 2.35 0.15 0.00 0.02 0.00 0.00 61.00 64.20 3cff s PRO 127 Cb -0.38 -3.08 1.23 0.00 0.02 0.00 0.00 34.50 32.29 3cff s PRO 127 CO 0.30 -0.44 2.14 0.00 -0.33 0.00 0.00 177.00 178.67 3cff h ALA 128 N 4.72 1.97 -0.00 -1.55 0.00 -1.97 -1.32 119.26 121.11 3cff h ALA 128 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3cff h ALA 128 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3cff h ALA 128 CO 0.76 0.03 -0.24 -0.40 0.00 0.00 0.00 179.25 179.39 3cff n ASP 129 N -4.53 0.57 -4.84 0.00 5.75 -1.26 -4.15 116.55 108.09 3cff n ASP 129 Ca -0.02 -0.45 -0.30 0.00 -0.01 0.00 0.00 54.79 54.01 3cff n ASP 129 Cb 0.09 0.02 0.07 0.00 -1.03 0.00 0.00 41.12 40.27 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 -2.68 1.62 0.54 6.12 0.00 -0.50 -4.81 107.32 107.61 3cff s GLY 130 Ca 0.21 -0.32 0.20 0.00 0.00 0.00 0.00 44.72 44.82 3cff s GLY 130 CO 0.55 0.10 2.18 -0.56 0.00 0.00 0.00 173.10 175.38 3cff h PRO 131 N -0.93 0.00 0.26 2.90 0.13 -1.93 -0.58 132.00 131.85 3cff h PRO 131 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 3cff h PRO 131 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3cff h PRO 131 CO 0.62 0.00 -0.13 0.28 -0.23 0.00 0.00 178.00 178.54 3cff h VAL 132 N 0.00 0.70 0.00 1.56 2.07 -1.93 0.72 116.25 119.37 3cff h VAL 132 Ca 0.00 -0.80 -0.12 0.00 0.82 0.00 0.00 66.70 66.60 3cff h VAL 132 Cb 0.01 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3cff h VAL 132 CO -0.00 0.15 -0.56 0.24 0.02 0.00 0.00 177.57 177.42 3cff h MET 133 N -0.83 0.00 -0.00 1.57 2.86 -1.71 -2.46 114.93 114.35 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 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 3cff h MET 133 CO 0.06 0.56 -0.02 1.04 1.06 0.00 0.00 176.91 179.61 3cff n GLN 134 N -3.63 0.46 -3.67 1.72 1.13 -0.24 -4.94 117.38 108.22 3cff n GLN 134 Ca -0.01 -0.03 -0.23 0.00 -1.94 0.00 0.00 57.00 54.80 3cff n GLN 134 Cb 0.61 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 29.52 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 -1.25 -3.21 -0.27 1.08 2.85 -0.79 -4.92 115.26 108.76 3cff n ASN 135 Ca 0.14 -0.71 0.09 0.00 -0.11 0.00 0.00 54.58 53.99 3cff n ASN 135 Cb 0.24 -4.46 0.17 0.00 1.24 0.00 0.00 39.78 36.97 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 -4.48 1.42 -2.75 1.20 5.02 0.18 -5.04 118.16 113.71 3cff n LYS 136 Ca -0.16 -2.83 -0.33 0.00 -2.02 0.00 0.00 58.31 52.97 3cff n LYS 136 Cb 0.62 -1.55 -0.06 0.00 -0.02 0.00 0.00 35.03 34.02 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 3.02 -0.19 7.82 0.00 -1.22 -4.19 121.76 124.00 3cff s ALA 137 Ca 0.34 0.41 0.15 0.00 0.00 0.00 0.00 51.96 52.86 3cff s ALA 137 Cb 0.31 -3.16 0.40 0.00 0.00 0.00 0.00 23.12 20.67 3cff s ALA 137 CO -0.00 0.04 1.27 0.41 0.00 0.00 0.00 175.76 177.47 3cff n GLY 138 N -0.66 4.83 0.00 0.00 0.00 0.73 -5.01 105.19 105.08 3cff n GLY 138 Ca 0.07 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.15 0.28 3.89 -0.02 0.00 -1.26 -4.72 105.19 102.20 3cff n GLY 139 Ca 0.21 -1.92 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.56 3.55 0.71 1.61 0.52 -1.26 -0.58 118.94 121.92 3cff s TRP 140 Ca 0.00 0.52 -0.12 0.00 0.02 0.00 0.00 56.10 56.52 3cff s TRP 140 Cb 0.00 -1.96 0.02 0.00 -1.15 0.00 0.00 33.47 30.38 3cff s TRP 140 CO 0.00 0.57 1.08 -1.21 0.02 0.00 0.00 176.95 177.41 3cff s GLU 141 N -2.07 2.67 0.66 4.98 0.41 -0.56 -4.82 118.70 119.96 3cff s GLU 141 Ca 0.32 1.14 -0.17 0.00 -0.41 0.00 0.00 54.97 55.85 3cff s GLU 141 Cb -0.13 -1.95 -0.02 0.00 -1.78 0.00 0.00 34.13 30.25 3cff s GLU 141 CO 0.20 -1.32 1.01 -2.30 -0.49 0.00 0.00 175.26 172.36 3cff n PRO 142 N -3.06 0.77 -4.26 0.39 -0.02 -1.26 -4.71 135.00 122.84 3cff n PRO 142 Ca 0.09 0.31 -0.15 0.00 -2.02 0.00 0.00 63.50 61.73 3cff n PRO 142 Cb 0.53 -2.24 -0.10 0.00 -0.02 0.00 0.00 33.50 31.67 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 -1.42 1.19 -0.09 -1.23 0.00 0.65 -4.87 107.32 101.55 3cff s GLY 143 Ca 0.76 -1.57 0.03 0.00 0.00 0.00 0.00 44.72 43.94 3cff s GLY 143 CO 0.47 -1.59 -0.16 0.00 0.00 0.00 0.00 173.10 171.81 3cff s GLU 145 N 0.68 2.75 -0.13 0.00 2.12 0.49 -4.24 118.70 120.37 3cff s GLU 145 Ca -0.13 -0.57 -0.06 0.00 0.36 0.00 0.00 54.97 54.56 3cff s GLU 145 Cb -0.16 -2.61 -0.04 0.00 0.26 0.00 0.00 34.13 31.58 3cff s GLU 145 CO 0.04 0.65 0.09 0.96 -0.54 0.00 0.00 175.26 176.46 3cff s ILE 146 N -0.89 5.10 -0.02 -3.70 -4.36 0.10 -0.75 121.20 116.68 3cff s ILE 146 Ca 0.14 0.06 0.03 0.00 -0.26 0.00 0.00 60.65 60.62 3cff s ILE 146 Cb -0.11 -3.23 -0.00 0.00 1.25 0.00 0.00 42.46 40.36 3cff s ILE 146 CO 0.04 0.57 -0.09 -0.76 0.24 0.00 0.00 174.94 174.93 3cff s LEU 147 N -0.58 1.86 0.05 0.37 1.02 -0.27 -1.15 118.68 119.97 3cff s LEU 147 Ca 0.12 -0.19 -0.27 0.00 0.02 0.00 0.00 54.13 53.81 3cff s LEU 147 Cb -0.12 -0.54 0.09 0.00 0.02 0.00 0.00 46.19 45.64 3cff s LEU 147 CO 0.02 0.08 0.74 -0.72 0.02 0.00 0.00 176.35 176.50 3cff s TYR 148 N 0.07 -0.48 0.17 0.29 -0.85 -0.77 -1.62 117.35 114.16 3cff s TYR 148 Ca -0.01 0.43 -0.30 0.00 -0.52 0.00 0.00 57.07 56.67 3cff s TYR 148 Cb -0.07 0.52 -0.08 0.00 0.38 0.00 0.00 41.96 42.71 3cff s TYR 148 CO 0.00 -0.67 1.26 -2.00 -1.52 0.00 0.00 175.55 172.62 3cff s GLU 149 N -2.95 4.43 -0.03 -3.49 2.12 -1.26 -1.03 118.70 116.49 3cff s GLU 149 Ca 0.00 1.96 -0.01 0.00 0.36 0.00 0.00 54.97 57.28 3cff s GLU 149 Cb -0.01 -3.23 0.03 0.00 0.26 0.00 0.00 34.13 31.18 3cff s GLU 149 CO -0.07 -0.20 0.06 0.14 -0.54 0.00 0.00 175.26 174.65 3cff s VAL 150 N 0.21 -0.05 -1.29 3.70 -7.23 -0.04 -4.89 120.40 110.82 3cff s VAL 150 Ca 0.56 0.17 0.00 0.00 -1.81 0.00 0.00 61.98 60.90 3cff s VAL 150 Cb -0.34 -0.12 0.00 0.00 0.56 0.00 0.00 36.38 36.48 3cff s VAL 150 CO 0.36 0.07 0.00 0.47 -0.31 0.00 0.00 175.10 175.69 3cff n ASP 151 N 4.02 -4.51 0.00 4.85 8.00 -1.26 -1.05 116.55 126.61 3cff n ASP 151 Ca -0.25 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.39 3cff n ASP 151 Cb 0.52 -3.81 0.00 0.00 -0.02 0.00 0.00 41.12 37.81 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 -0.85 0.53 3.70 0.44 0.00 -1.26 -5.01 105.19 102.73 3cff n GLY 152 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.27 1.00 -0.23 1.61 -7.23 -0.21 -4.97 120.40 108.10 3cff s VAL 153 Ca 0.00 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.10 3cff s VAL 153 Cb 0.00 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.70 3cff s VAL 153 CO 0.00 0.00 0.06 -0.22 -0.31 0.00 0.00 175.10 174.63 3cff s LEU 154 N -3.81 3.53 -0.01 1.32 2.96 -1.01 -0.86 118.68 120.80 3cff s LEU 154 Ca 0.10 -0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 53.86 3cff s LEU 154 Cb 0.02 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 3cff s LEU 154 CO 0.06 0.03 0.18 0.00 -1.32 0.00 0.00 176.35 175.31 3cff s GLY 156 N -1.89 0.59 -0.03 0.00 0.00 -0.13 -1.86 107.32 104.00 3cff s GLY 156 Ca 0.27 -0.48 0.01 0.00 0.00 0.00 0.00 44.72 44.51 3cff s GLY 156 CO 0.18 -0.35 -0.02 1.20 0.00 0.00 0.00 173.10 174.11 3cff s GLN 157 N -0.16 0.56 0.04 2.90 -1.52 -0.30 -0.76 119.66 120.41 3cff s GLN 157 Ca 0.03 -0.03 -0.17 0.00 -1.95 0.00 0.00 55.36 53.24 3cff s GLN 157 Cb -0.06 -0.64 0.03 0.00 -0.22 0.00 0.00 33.01 32.13 3cff s GLN 157 CO -0.00 -0.09 0.37 -1.54 -0.25 0.00 0.00 175.29 173.78 3cff s SER 158 N 0.88 -0.23 -0.11 5.90 1.04 -1.02 -0.72 113.70 119.44 3cff s SER 158 Ca -0.10 -0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.26 3cff s SER 158 Cb -0.13 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.36 3cff s SER 158 CO -0.01 -0.64 -0.07 -0.76 0.98 0.00 0.00 173.24 172.74 3cff s LEU 159 N -2.00 3.09 0.24 2.42 1.43 -1.26 -0.28 118.68 122.32 3cff s LEU 159 Ca -0.05 -0.12 0.10 0.00 -1.03 0.00 0.00 54.13 53.02 3cff s LEU 159 Cb -0.01 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.46 3cff s LEU 159 CO -0.02 0.26 -0.18 -0.04 0.23 0.00 0.00 176.35 176.59 3cff s MET 160 N -0.19 1.51 -0.13 1.70 -1.94 -0.43 -4.51 119.30 115.31 3cff s MET 160 Ca 0.02 -1.66 -0.01 0.00 -1.71 0.00 0.00 55.69 52.34 3cff s MET 160 Cb -0.13 -1.52 0.03 0.00 2.01 0.00 0.00 34.83 35.22 3cff s MET 160 CO 0.03 0.28 -0.04 0.00 -0.01 0.00 0.00 175.02 175.28 3cff s ALA 161 N -2.54 1.20 -0.12 3.03 0.00 -1.26 -1.42 121.76 120.65 3cff s ALA 161 Ca 0.25 -0.55 -0.23 0.00 0.00 0.00 0.00 51.96 51.44 3cff s ALA 161 Cb -0.04 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 3cff s ALA 161 CO 0.11 -0.60 0.69 -1.17 0.00 0.00 0.00 175.76 174.79 3cff s LEU 162 N 1.76 4.25 0.13 0.00 2.96 0.10 -1.50 118.68 126.39 3cff s LEU 162 Ca 0.03 1.07 -0.30 0.00 -0.22 0.00 0.00 54.13 54.71 3cff s LEU 162 Cb -0.14 -3.03 -0.07 0.00 0.50 0.00 0.00 46.19 43.45 3cff s LEU 162 CO -0.07 -0.19 1.26 -0.54 -1.32 0.00 0.00 176.35 175.48 3cff s LYS 163 N 1.28 4.42 0.22 1.98 1.02 0.25 -0.91 119.74 128.00 3cff s LYS 163 Ca 0.35 1.91 0.06 0.00 0.02 0.00 0.00 55.97 58.30 3cff s LYS 163 Cb -0.17 -3.27 -0.05 0.00 -0.52 0.00 0.00 37.83 33.82 3cff s LYS 163 CO 0.15 -0.24 -0.08 0.00 -0.92 0.00 0.00 175.35 174.25 3cff n PRO 165 N -0.41 1.83 -1.43 0.00 -0.02 -1.26 -2.66 135.00 131.06 3cff n PRO 165 Ca -0.07 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3cff n PRO 165 Cb 0.62 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 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 0.89 0.50 2.40 -1.23 0.00 -1.26 -3.78 105.19 102.71 3cff n GLY 166 Ca 0.07 -0.88 -0.16 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 -1.78 0.97 3.94 -0.02 0.00 -1.18 -5.00 105.19 102.11 3cff n GLY 167 Ca 0.00 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.80 3.28 0.09 1.61 0.52 -1.09 -4.93 118.95 114.63 3cff s ARG 168 Ca 0.00 -0.25 0.07 0.00 -0.52 0.00 0.00 55.73 55.03 3cff s ARG 168 Cb 0.00 -2.52 -0.03 0.00 0.52 0.00 0.00 34.95 32.91 3cff s ARG 168 CO 0.00 -0.17 -0.19 -1.01 0.02 0.00 0.00 175.30 173.95 3cff s HIS 169 N -2.56 1.60 -0.15 -0.53 3.76 -1.26 -0.42 115.29 115.73 3cff s HIS 169 Ca 0.46 -0.43 0.02 0.00 -0.15 0.00 0.00 55.06 54.96 3cff s HIS 169 Cb -0.10 -0.89 0.01 0.00 1.11 0.00 0.00 32.58 32.72 3cff s HIS 169 CO 0.39 0.15 -0.21 -1.17 -0.85 0.00 0.00 174.74 173.06 3cff s LEU 170 N -1.82 2.08 0.30 0.89 2.96 -0.09 -4.93 118.68 118.07 3cff s LEU 170 Ca 0.04 -0.60 0.05 0.00 -0.22 0.00 0.00 54.13 53.39 3cff s LEU 170 Cb -0.10 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.14 3cff s LEU 170 CO 0.03 0.05 0.44 0.54 -1.32 0.00 0.00 176.35 176.09 3cff s ASN 171 N 0.99 6.16 0.14 3.68 2.20 -1.26 0.03 114.94 126.88 3cff s ASN 171 Ca -0.03 0.02 -0.17 0.00 -0.94 0.00 0.00 52.86 51.74 3cff s ASN 171 Cb -0.15 -1.62 0.04 0.00 -2.00 0.00 0.00 41.25 37.52 3cff s ASN 171 CO -0.06 -0.27 0.45 0.00 -2.94 0.00 0.00 177.10 174.29 3cff s ARG 173 N -3.81 2.86 -0.26 0.00 3.52 -0.15 -1.31 118.95 119.79 3cff s ARG 173 Ca 0.04 -0.83 -0.11 0.00 -0.13 0.00 0.00 55.73 54.69 3cff s ARG 173 Cb 0.01 -2.19 -0.05 0.00 -1.56 0.00 0.00 34.95 31.16 3cff s ARG 173 CO -0.10 0.19 0.20 -0.51 -0.81 0.00 0.00 175.30 174.27 3cff s LEU 174 N 0.32 4.05 -0.38 -0.88 1.02 0.62 -0.64 118.68 122.79 3cff s LEU 174 Ca -0.17 0.07 -0.08 0.00 0.02 0.00 0.00 54.13 53.97 3cff s LEU 174 Cb -0.17 -2.15 0.06 0.00 0.02 0.00 0.00 46.19 43.94 3cff s LEU 174 CO 0.08 -0.03 0.19 -1.00 0.02 0.00 0.00 176.35 175.61 3cff s HIS 175 N 1.56 3.31 0.02 0.29 3.76 -0.34 -2.43 115.29 121.46 3cff s HIS 175 Ca 0.08 -1.46 0.09 0.00 -0.15 0.00 0.00 55.06 53.62 3cff s HIS 175 Cb -0.15 -2.65 -0.03 0.00 1.11 0.00 0.00 32.58 30.86 3cff s HIS 175 CO 0.09 -0.78 -0.25 0.99 -0.85 0.00 0.00 174.74 173.93 3cff s THR 176 N 1.42 2.18 -0.11 1.30 2.01 0.06 -2.03 115.64 120.47 3cff s THR 176 Ca 0.01 -1.27 0.03 0.00 0.31 0.00 0.00 61.69 60.78 3cff s THR 176 Cb -0.21 -1.82 0.01 0.00 0.01 0.00 0.00 72.50 70.49 3cff s THR 176 CO 0.03 0.44 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.29 3cff s THR 177 N -0.75 1.92 -0.19 -0.82 2.01 -0.31 -0.95 115.64 116.55 3cff s THR 177 Ca 0.11 -0.92 -0.08 0.00 0.31 0.00 0.00 61.69 61.11 3cff s THR 177 Cb -0.10 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 3cff s THR 177 CO 0.01 0.53 0.08 -0.31 -0.69 0.00 0.00 174.62 174.24 3cff s TYR 178 N 0.55 3.27 -0.25 4.92 2.02 0.17 -1.42 117.35 126.62 3cff s TYR 178 Ca -0.14 0.10 0.01 0.00 -0.37 0.00 0.00 57.07 56.67 3cff s TYR 178 Cb -0.17 -2.12 0.06 0.00 -0.40 0.00 0.00 41.96 39.34 3cff s TYR 178 CO 0.05 0.14 -0.06 1.03 -1.57 0.00 0.00 175.55 175.14 3cff s ARG 179 N 0.49 1.71 0.46 -0.62 0.52 0.33 -2.41 118.95 119.43 3cff s ARG 179 Ca 0.04 -1.10 -0.23 0.00 -0.52 0.00 0.00 55.73 53.92 3cff s ARG 179 Cb -0.12 -2.66 -0.07 0.00 0.52 0.00 0.00 34.95 32.62 3cff s ARG 179 CO 0.00 -0.62 1.25 0.45 0.02 0.00 0.00 175.30 176.40 3cff s SER 180 N 1.32 5.99 0.00 0.23 0.15 -1.26 -0.78 113.70 119.36 3cff s SER 180 Ca -0.05 2.51 0.26 0.00 0.70 0.00 0.00 55.95 59.36 3cff s SER 180 Cb -0.19 -2.62 1.04 0.00 -1.71 0.00 0.00 66.02 62.53 3cff s SER 180 CO -0.07 -1.05 1.72 0.29 1.20 0.00 0.00 173.24 175.34 3cff n LYS 181 N -0.44 1.59 -3.35 5.44 5.02 -0.55 -4.87 118.16 121.01 3cff n LYS 181 Ca 0.07 -0.88 -0.36 0.00 -2.02 0.00 0.00 58.31 55.13 3cff n LYS 181 Cb 0.46 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 33.97 3cff n LYS 181 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3cff s LYS 182 N -1.93 4.01 0.61 1.97 2.20 -1.26 -4.92 119.74 120.41 3cff s LYS 182 Ca 0.37 0.53 -0.19 0.00 -0.36 0.00 0.00 55.97 56.32 3cff s LYS 182 Cb 0.20 -2.99 -0.03 0.00 -1.51 0.00 0.00 37.83 33.50 3cff s LYS 182 CO 0.31 0.51 1.24 -1.25 -0.36 0.00 0.00 175.35 175.80 3cff s PRO 183 N -1.79 2.82 0.46 4.03 0.04 -1.26 -4.90 135.00 134.40 3cff s PRO 183 Ca 0.36 1.92 0.23 0.00 0.04 0.00 0.00 61.00 63.54 3cff s PRO 183 Cb -0.16 -1.90 1.24 0.00 0.04 0.00 0.00 34.50 33.72 3cff s PRO 183 CO 0.19 -1.35 1.85 0.00 0.04 0.00 0.00 177.00 177.73 3cff h ALA 184 N 0.77 2.46 0.00 8.56 0.00 -1.94 -1.48 119.26 127.62 3cff h ALA 184 Ca -0.51 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 3cff h ALA 184 Cb 1.31 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 3cff h ALA 184 CO 0.54 -0.75 -0.02 0.66 0.00 0.00 0.00 179.25 179.68 3cff h SER 185 N 0.25 0.00 -0.23 0.00 4.64 -2.02 -2.54 113.55 113.65 3cff h SER 185 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3cff h SER 185 Cb 1.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 3cff h SER 185 CO -0.13 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.85 3cff n ALA 186 N -2.15 2.40 -2.35 5.18 0.00 -0.56 -4.98 120.51 118.04 3cff n ALA 186 Ca -0.02 -0.87 -0.31 0.00 0.00 0.00 0.00 53.44 52.23 3cff n ALA 186 Cb 0.14 -0.66 -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 -1.34 2.22 -0.42 0.00 1.43 -0.96 -5.04 118.68 114.58 3cff s LEU 187 Ca 0.28 -0.42 -0.16 0.00 -1.03 0.00 0.00 54.13 52.81 3cff s LEU 187 Cb 0.17 -1.39 0.03 0.00 0.03 0.00 0.00 46.19 45.03 3cff s LEU 187 CO 0.24 0.32 0.35 -0.75 0.23 0.00 0.00 176.35 176.74 3cff s LYS 188 N -0.71 3.00 0.04 1.70 2.47 -1.26 -4.99 119.74 119.99 3cff s LYS 188 Ca 0.11 -0.99 -0.30 0.00 -1.56 0.00 0.00 55.97 53.23 3cff s LYS 188 Cb -0.10 -3.99 -0.04 0.00 -1.46 0.00 0.00 37.83 32.23 3cff s LYS 188 CO -0.00 -0.81 1.06 1.41 0.16 0.00 0.00 175.35 177.16 3cff s MET 189 N 1.80 4.53 0.62 4.03 -2.45 -1.26 -4.70 119.30 121.87 3cff s MET 189 Ca 0.07 1.55 -0.16 0.00 -1.25 0.00 0.00 55.69 55.90 3cff s MET 189 Cb -0.19 -3.41 -0.02 0.00 1.25 0.00 0.00 34.83 32.46 3cff s MET 189 CO 0.11 -0.09 1.10 -1.25 1.05 0.00 0.00 175.02 175.93 3cff s PRO 190 N 0.87 3.04 0.99 4.11 0.04 -1.26 -4.94 135.00 137.86 3cff s PRO 190 Ca 0.54 1.39 -0.13 0.00 0.04 0.00 0.00 61.00 62.83 3cff s PRO 190 Cb -0.24 -1.98 0.18 0.00 0.04 0.00 0.00 34.50 32.50 3cff s PRO 190 CO 0.29 -1.06 1.13 -1.21 0.04 0.00 0.00 177.00 176.19 3cff s GLU 191 N -3.93 0.51 0.08 4.56 0.41 -1.26 -4.50 118.70 114.56 3cff s GLU 191 Ca 0.67 0.28 -0.36 0.00 -0.41 0.00 0.00 54.97 55.15 3cff s GLU 191 Cb -0.20 -1.77 -0.15 0.00 -1.78 0.00 0.00 34.13 30.23 3cff s GLU 191 CO 0.37 -2.62 1.50 0.34 -0.49 0.00 0.00 175.26 174.36 3cff n PHE 192 N -4.06 1.91 -3.92 1.61 7.35 -1.26 -4.77 117.46 114.31 3cff n PHE 192 Ca 0.07 0.44 -0.12 0.00 -0.76 0.00 0.00 57.45 57.09 3cff n PHE 192 Cb 0.59 -2.45 0.00 0.00 0.35 0.00 0.00 39.48 37.97 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 1.12 0.57 0.09 -5.13 -3.43 -0.64 -4.95 115.29 102.92 3cff s HIS 193 Ca 0.84 -1.07 0.09 0.00 -0.80 0.00 0.00 55.06 54.12 3cff s HIS 193 Cb -0.84 0.46 -0.04 0.00 -1.43 0.00 0.00 32.58 30.74 3cff s HIS 193 CO 0.45 -1.43 -0.23 -0.06 -2.00 0.00 0.00 174.74 171.47 3cff s PHE 194 N -2.44 2.43 -0.18 0.38 0.08 -0.07 -1.12 117.98 117.07 3cff s PHE 194 Ca 0.22 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 56.95 3cff s PHE 194 Cb -0.03 -1.36 0.02 0.00 -0.57 0.00 0.00 43.02 41.08 3cff s PHE 194 CO 0.16 0.28 -0.18 -1.21 -0.10 0.00 0.00 175.22 174.18 3cff s GLU 195 N -1.75 2.73 -0.04 0.44 2.02 0.07 -0.88 118.70 121.29 3cff s GLU 195 Ca 0.15 -0.78 -0.21 0.00 0.02 0.00 0.00 54.97 54.15 3cff s GLU 195 Cb -0.10 -2.45 -0.05 0.00 0.10 0.00 0.00 34.13 31.63 3cff s GLU 195 CO 0.06 -0.24 0.61 -0.51 0.02 0.00 0.00 175.26 175.20 3cff s ASP 196 N 1.34 6.94 -0.03 -0.19 1.01 -0.14 -0.38 116.67 125.23 3cff s ASP 196 Ca 0.04 1.13 0.03 0.00 0.71 0.00 0.00 52.55 54.46 3cff s ASP 196 Cb -0.13 -2.37 -0.00 0.00 1.01 0.00 0.00 42.92 41.43 3cff s ASP 196 CO -0.12 0.03 -0.12 -1.00 0.21 0.00 0.00 175.17 174.17 3cff s HIS 197 N 0.20 1.20 -0.12 4.23 3.76 0.49 -1.74 115.29 123.31 3cff s HIS 197 Ca 0.32 -0.30 0.01 0.00 -0.15 0.00 0.00 55.06 54.94 3cff s HIS 197 Cb -0.18 -0.82 0.02 0.00 1.11 0.00 0.00 32.58 32.71 3cff s HIS 197 CO 0.17 -0.10 -0.13 0.50 -0.85 0.00 0.00 174.74 174.33 3cff s ARG 198 N 0.03 2.06 -0.15 1.40 3.52 -0.16 -0.25 118.95 125.41 3cff s ARG 198 Ca -0.01 -0.48 -0.00 0.00 -0.13 0.00 0.00 55.73 55.10 3cff s ARG 198 Cb -0.08 -1.86 -0.01 0.00 -1.56 0.00 0.00 34.95 31.43 3cff s ARG 198 CO 0.01 -0.16 -0.13 0.42 -0.81 0.00 0.00 175.30 174.63 3cff s ILE 199 N 1.29 2.91 -0.04 4.11 1.01 -1.26 -1.48 121.20 127.73 3cff s ILE 199 Ca -0.01 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 59.97 3cff s ILE 199 Cb -0.14 -2.24 0.01 0.00 0.01 0.00 0.00 42.46 40.10 3cff s ILE 199 CO -0.06 0.51 -0.11 -1.61 0.00 0.00 0.00 174.94 173.67 3cff s GLU 200 N 0.69 1.28 -0.00 2.79 2.02 0.47 -4.52 118.70 121.42 3cff s GLU 200 Ca -0.06 -0.36 0.07 0.00 0.02 0.00 0.00 54.97 54.63 3cff s GLU 200 Cb -0.15 -1.14 -0.02 0.00 0.10 0.00 0.00 34.13 32.92 3cff s GLU 200 CO 0.02 0.09 -0.21 0.08 0.02 0.00 0.00 175.26 175.26 3cff s VAL 201 N 0.38 1.67 -0.17 2.63 1.01 -1.26 0.02 120.40 124.67 3cff s VAL 201 Ca -0.07 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 60.94 3cff s VAL 201 Cb -0.12 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 34.88 3cff s VAL 201 CO 0.02 0.40 -0.18 -0.75 0.00 0.00 0.00 175.10 174.59 3cff s LYS 202 N -0.67 2.73 -0.51 2.72 2.20 0.55 -4.98 119.74 121.79 3cff s LYS 202 Ca 0.08 -0.73 -0.27 0.00 -0.36 0.00 0.00 55.97 54.69 3cff s LYS 202 Cb -0.08 -2.38 0.03 0.00 -1.51 0.00 0.00 37.83 33.89 3cff s LYS 202 CO -0.00 -0.21 1.05 -2.00 -0.36 0.00 0.00 175.35 173.84 3cff s GLU 203 N 1.33 3.56 -0.16 4.03 2.12 -1.26 -0.48 118.70 127.84 3cff s GLU 203 Ca 0.04 0.24 -0.27 0.00 0.36 0.00 0.00 54.97 55.34 3cff s GLU 203 Cb -0.13 -3.96 -0.24 0.00 0.26 0.00 0.00 34.13 30.06 3cff s GLU 203 CO -0.11 -1.42 0.63 0.28 -0.54 0.00 0.00 175.26 174.10 3cff h VAL 204 N 6.14 1.58 -3.49 3.70 2.07 -1.01 -3.45 116.25 121.78 3cff h VAL 204 Ca -0.24 -2.30 -0.53 0.00 0.82 0.00 0.00 66.70 64.44 3cff h VAL 204 Cb 1.07 3.10 -0.33 0.00 -1.52 0.00 0.00 31.29 33.61 3cff h VAL 204 CO 1.10 0.54 -0.82 -1.58 0.02 0.00 0.00 177.57 176.83 3cff s GLN 205 N -2.25 1.79 -0.42 1.57 0.74 -0.63 -4.95 119.66 115.50 3cff s GLN 205 Ca -0.21 -0.47 -0.42 0.00 0.05 0.00 0.00 55.36 54.30 3cff s GLN 205 Cb -0.01 -1.48 -0.17 0.00 1.10 0.00 0.00 33.01 32.46 3cff s GLN 205 CO 0.66 0.07 1.94 1.17 -0.55 0.00 0.00 175.29 178.59 3cff n LYS 206 N 3.68 0.47 -1.20 1.67 4.81 -1.26 -1.01 118.16 125.32 3cff n LYS 206 Ca -0.22 0.15 -0.07 0.00 -0.87 0.00 0.00 58.31 57.31 3cff n LYS 206 Cb 0.52 -1.83 -0.03 0.00 0.02 0.00 0.00 35.03 33.72 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 5.80 0.68 1.27 3.14 0.00 -1.26 -4.74 105.19 110.08 3cff n GLY 207 Ca 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.44 0.00 -4.36 1.61 4.76 -0.18 -5.08 118.16 114.47 3cff n LYS 208 Ca -0.07 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.12 3cff n LYS 208 Cb 0.52 -0.33 -0.17 0.00 -1.84 0.00 0.00 35.03 33.21 3cff n LYS 208 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3cff s HIS 209 N -1.94 1.51 0.18 2.13 3.76 -0.73 -4.95 115.29 115.25 3cff s HIS 209 Ca 0.00 -0.63 0.06 0.00 -0.15 0.00 0.00 55.06 54.33 3cff s HIS 209 Cb 0.00 -1.15 -0.05 0.00 1.11 0.00 0.00 32.58 32.50 3cff s HIS 209 CO 0.00 -0.37 -0.11 0.71 -0.85 0.00 0.00 174.74 174.12 3cff s TYR 210 N 1.01 1.49 -0.02 1.40 2.02 -1.26 -0.33 117.35 121.66 3cff s TYR 210 Ca -0.08 -0.69 0.05 0.00 -0.37 0.00 0.00 57.07 55.98 3cff s TYR 210 Cb -0.15 -0.74 -0.01 0.00 -0.40 0.00 0.00 41.96 40.67 3cff s TYR 210 CO -0.01 0.19 -0.18 -1.21 -1.57 0.00 0.00 175.55 172.77 3cff s GLU 211 N -3.71 1.60 -0.05 -0.62 2.02 0.37 -4.88 118.70 113.43 3cff s GLU 211 Ca 0.20 -0.66 0.03 0.00 0.02 0.00 0.00 54.97 54.56 3cff s GLU 211 Cb 0.01 -1.50 0.01 0.00 0.10 0.00 0.00 34.13 32.75 3cff s GLU 211 CO 0.04 0.36 -0.12 -1.14 0.02 0.00 0.00 175.26 174.42 3cff s GLN 212 N -0.31 1.50 -0.05 1.61 0.74 -1.26 -0.33 119.66 121.56 3cff s GLN 212 Ca 0.04 -0.43 0.04 0.00 0.05 0.00 0.00 55.36 55.07 3cff s GLN 212 Cb -0.08 -1.29 -0.02 0.00 1.10 0.00 0.00 33.01 32.71 3cff s GLN 212 CO 0.00 0.10 -0.16 -0.47 -0.55 0.00 0.00 175.29 174.21 3cff s TYR 213 N 0.38 2.65 -0.00 1.67 5.04 0.10 -4.97 117.35 122.22 3cff s TYR 213 Ca -0.09 -0.25 0.01 0.00 -2.44 0.00 0.00 57.07 54.30 3cff s TYR 213 Cb -0.13 -1.62 0.00 0.00 0.35 0.00 0.00 41.96 40.56 3cff s TYR 213 CO 0.02 0.12 -0.02 -2.00 -1.34 0.00 0.00 175.55 172.33 3cff s GLU 214 N -0.63 0.19 -0.02 4.97 2.12 -1.26 -0.40 118.70 123.68 3cff s GLU 214 Ca 0.09 -0.07 0.06 0.00 0.36 0.00 0.00 54.97 55.42 3cff s GLU 214 Cb -0.11 -0.20 -0.01 0.00 0.26 0.00 0.00 34.13 34.06 3cff s GLU 214 CO 0.01 0.04 -0.22 0.00 -0.54 0.00 0.00 175.26 174.55 3cff s ALA 215 N 0.02 1.84 -0.06 6.30 0.00 -0.55 -4.98 121.76 124.33 3cff s ALA 215 Ca 0.00 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 50.97 3cff s ALA 215 Cb -0.02 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.62 3cff s ALA 215 CO -0.00 0.43 0.16 0.00 0.00 0.00 0.00 175.76 176.35 3cff s ALA 216 N -0.43 -0.40 -0.02 0.00 0.00 -1.26 -0.98 121.76 118.67 3cff s ALA 216 Ca 0.06 0.44 0.01 0.00 0.00 0.00 0.00 51.96 52.47 3cff s ALA 216 Cb -0.09 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.78 3cff s ALA 216 CO -0.00 -0.08 -0.02 0.14 0.00 0.00 0.00 175.76 175.79 3cff s VAL 217 N 0.03 0.29 -0.16 0.00 -7.23 -0.71 -1.80 120.40 110.83 3cff s VAL 217 Ca -0.01 -0.06 -0.06 0.00 -1.81 0.00 0.00 61.98 60.04 3cff s VAL 217 Cb -0.01 -0.31 -0.04 0.00 0.56 0.00 0.00 36.38 36.57 3cff s VAL 217 CO 0.00 0.13 0.07 0.00 -0.31 0.00 0.00 175.10 174.99 3cff s ALA 218 N 0.52 3.47 0.24 1.32 0.00 0.74 -0.96 121.76 127.08 3cff s ALA 218 Ca -0.05 -0.74 -0.20 0.00 0.00 0.00 0.00 51.96 50.97 3cff s ALA 218 Cb -0.09 -1.86 0.03 0.00 0.00 0.00 0.00 23.12 21.20 3cff s ALA 218 CO -0.01 0.32 0.65 -0.98 0.00 0.00 0.00 175.76 175.74 3cff s ARG 219 N -0.07 1.61 0.00 0.00 1.70 -0.06 -1.54 118.95 120.59 3cff s ARG 219 Ca 0.07 -0.89 0.00 0.00 -0.47 0.00 0.00 55.73 54.44 3cff s ARG 219 Cb -0.12 0.58 0.00 0.00 -0.57 0.00 0.00 34.95 34.84 3cff s ARG 219 CO 0.01 -0.72 0.00 0.66 -1.08 0.00 0.00 175.30 174.17 3cff n TYR 220 N -0.42 0.00 0.00 5.89 4.01 -1.26 -0.89 117.16 124.49 3cff n TYR 220 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 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 0.04 7.72 8.00 -1.26 -4.91 116.55 126.14 3cff n ASP 222 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 3cff n ASP 222 Cb 0.00 0.00 0.38 0.00 -0.02 0.00 0.00 41.12 41.48 3cff n ASP 222 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cff h ALA 223 N 0.00 1.55 -3.45 2.24 0.00 -2.04 -3.35 119.26 114.21 3cff h ALA 223 Ca 0.00 -0.13 -0.64 0.00 0.00 0.00 0.00 54.91 54.14 3cff h ALA 223 Cb 0.00 -0.13 -0.40 0.00 0.00 0.00 0.00 17.79 17.25 3cff h ALA 223 CO 0.00 0.34 -0.70 0.00 0.00 0.00 0.00 179.25 178.88 3cff s ALA 224 N -5.11 2.71 0.56 0.00 0.00 -1.26 -5.12 121.76 113.53 3cff s ALA 224 Ca -0.07 -2.60 -0.18 0.00 0.00 0.00 0.00 51.96 49.11 3cff s ALA 224 Cb 0.16 -1.95 -0.05 0.00 0.00 0.00 0.00 23.12 21.28 3cff s ALA 224 CO 0.74 -1.81 1.08 -1.25 0.00 0.00 0.00 175.76 174.52 3cff s PRO 225 N 0.65 3.39 0.50 0.00 0.04 -1.26 -5.04 135.00 133.28 3cff s PRO 225 Ca 0.13 1.40 -0.14 0.00 0.04 0.00 0.00 61.00 62.44 3cff s PRO 225 Cb -0.21 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.23 3cff s PRO 225 CO -0.08 -0.78 0.93 0.45 0.04 0.00 0.00 177.00 177.56 3cff s SER 226 N -2.21 6.53 0.00 6.66 0.15 -1.26 -4.99 113.70 118.57 3cff s SER 226 Ca 0.68 1.41 0.07 0.00 0.70 0.00 0.00 55.95 58.80 3cff s SER 226 Cb -0.19 -2.44 0.18 0.00 -1.71 0.00 0.00 66.02 61.85 3cff s SER 226 CO 0.29 -0.58 1.11 0.29 1.20 0.00 0.00 173.24 175.56 3cff n LYS 227 N -1.70 2.59 -0.03 5.44 5.02 -1.26 -4.36 118.16 123.85 3cff n LYS 227 Ca 0.05 -1.74 0.02 0.00 -2.02 0.00 0.00 58.31 54.62 3cff n LYS 227 Cb 0.54 -1.16 0.04 0.00 -0.02 0.00 0.00 35.03 34.43 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 0.17 1.83 -1.02 -0.35 4.77 -1.26 -5.00 117.00 116.14 3cff n LEU 228 Ca 0.07 -1.42 -0.10 0.00 -0.03 0.00 0.00 56.01 54.54 3cff n LEU 228 Cb 0.34 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 3cff n LEU 228 CO 0.05 0.43 -0.12 0.61 -1.33 0.00 0.00 177.39 177.03 3cff n GLY 229 N 0.14 0.20 3.84 -0.72 0.00 -1.26 -5.04 105.19 102.36 3cff n GLY 229 Ca 0.04 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.45 3.14 -2.00 1.61 3.76 -1.26 -5.07 115.29 113.02 3cff s HIS 230 Ca 0.00 1.17 0.18 0.00 -0.15 0.00 0.00 55.06 56.25 3cff s HIS 230 Cb 0.00 -3.02 1.06 0.00 1.11 0.00 0.00 32.58 31.72 3cff s HIS 230 CO 0.00 -1.35 1.46 0.72 -0.85 0.00 0.00 174.74 174.71