#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 0.66 0.20 -1.46 4.76 -1.26 -2.85 118.16 118.22 3cff n LYS 67 Ca 0.00 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.51 3cff n LYS 67 Cb 0.00 -1.50 0.39 0.00 -1.84 0.00 0.00 35.03 32.08 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 0.79 -2.81 -0.18 2.02 -2.03 -3.37 112.91 107.33 3cff h THR 68 Ca 0.00 -1.35 -0.79 0.00 0.77 0.00 0.00 66.41 65.04 3cff h THR 68 Cb 0.16 1.84 -0.25 0.00 -1.74 0.00 0.00 68.15 68.16 3cff h THR 68 CO 0.00 0.31 0.92 0.49 0.37 0.00 0.00 175.52 177.61 3cff n PHE 69 N -3.52 3.34 -4.24 3.16 3.72 -1.13 -4.88 117.46 113.90 3cff n PHE 69 Ca -0.00 -3.01 -0.19 0.00 -0.05 0.00 0.00 57.45 54.19 3cff n PHE 69 Cb 0.47 -1.54 -0.16 0.00 -0.94 0.00 0.00 39.48 37.31 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 -1.64 0.59 -0.32 4.37 1.01 -1.26 -4.45 121.20 119.49 3cff s ILE 70 Ca 0.33 -0.23 -0.25 0.00 0.00 0.00 0.00 60.65 60.50 3cff s ILE 70 Cb 0.01 -0.56 0.01 0.00 0.01 0.00 0.00 42.46 41.93 3cff s ILE 70 CO 0.04 0.21 0.89 -0.75 0.00 0.00 0.00 174.94 175.32 3cff s LYS 71 N 0.41 3.97 -0.25 2.79 2.20 -0.59 -4.92 119.74 123.35 3cff s LYS 71 Ca -0.06 0.72 -0.13 0.00 -0.36 0.00 0.00 55.97 56.14 3cff s LYS 71 Cb -0.10 -3.74 -0.04 0.00 -1.51 0.00 0.00 37.83 32.44 3cff s LYS 71 CO 0.00 -0.79 0.28 0.71 -0.36 0.00 0.00 175.35 175.19 3cff s TYR 72 N 3.23 3.29 0.46 4.03 1.51 -1.26 -0.14 117.35 128.47 3cff s TYR 72 Ca 0.37 0.34 0.07 0.00 -1.01 0.00 0.00 57.07 56.84 3cff s TYR 72 Cb -0.13 -2.44 -0.00 0.00 -0.11 0.00 0.00 41.96 39.28 3cff s TYR 72 CO 0.14 -0.08 0.37 0.14 -1.11 0.00 0.00 175.55 175.00 3cff s VAL 73 N 1.56 2.28 -1.81 0.71 -7.23 -0.69 -4.71 120.40 110.50 3cff s VAL 73 Ca 0.12 -1.44 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 3cff s VAL 73 Cb -0.15 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.08 3cff s VAL 73 CO 0.08 0.00 0.00 -1.20 -0.31 0.00 0.00 175.10 173.67 3cff n SER 74 N -1.58 -5.01 -0.49 4.85 7.64 -1.26 -2.47 113.62 115.29 3cff n SER 74 Ca 0.02 0.31 -0.06 0.00 1.01 0.00 0.00 58.87 60.14 3cff n SER 74 Cb 0.63 -4.38 -0.03 0.00 -1.01 0.00 0.00 64.21 59.43 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 -0.56 0.85 3.69 0.23 0.00 -1.26 -4.99 105.19 103.16 3cff n GLY 75 Ca -0.20 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.13 3.16 0.43 -0.61 1.01 -1.03 -4.97 121.20 117.07 3cff s ILE 76 Ca 0.00 0.63 -0.26 0.00 0.00 0.00 0.00 60.65 61.03 3cff s ILE 76 Cb 0.00 -3.41 -0.09 0.00 0.01 0.00 0.00 42.46 38.97 3cff s ILE 76 CO 0.00 0.00 1.38 -2.65 0.00 0.00 0.00 174.94 173.67 3cff n PRO 77 N 5.37 2.17 -3.32 2.79 -0.02 -1.26 -4.81 135.00 135.91 3cff n PRO 77 Ca 0.15 0.77 -0.46 0.00 -2.02 0.00 0.00 63.50 61.94 3cff n PRO 77 Cb 0.41 -2.55 -0.04 0.00 -0.02 0.00 0.00 33.50 31.31 3cff n PRO 77 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3cff s ASP 78 N -0.47 6.40 0.35 2.55 -1.08 -1.26 -4.58 116.67 118.58 3cff s ASP 78 Ca 0.60 -2.14 0.08 0.00 -0.52 0.00 0.00 52.55 50.58 3cff s ASP 78 Cb -0.47 -2.20 0.80 0.00 -1.46 0.00 0.00 42.92 39.59 3cff s ASP 78 CO 0.58 -0.74 1.87 0.22 0.52 0.00 0.00 175.17 177.62 3cff h TYR 79 N 8.45 0.83 0.04 -5.34 3.20 -1.93 -1.67 116.97 120.55 3cff h TYR 79 Ca -0.14 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.68 3cff h TYR 79 Cb 1.08 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.09 3cff h TYR 79 CO 0.85 0.32 -0.35 0.74 -1.64 0.00 0.00 178.16 178.07 3cff h PHE 80 N 0.71 0.17 -0.41 -3.82 0.04 -1.92 -3.12 116.94 108.60 3cff h PHE 80 Ca 0.44 -0.12 -0.05 0.00 2.80 0.00 0.00 57.97 61.04 3cff h PHE 80 Cb 0.68 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.80 3cff h PHE 80 CO -0.00 1.14 0.04 0.87 -0.60 0.00 0.00 178.31 179.75 3cff h LYS 81 N -0.80 0.63 0.00 1.51 1.57 -1.87 -2.05 116.57 115.56 3cff h LYS 81 Ca -0.07 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 3cff h LYS 81 Cb 1.22 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 3cff h LYS 81 CO 0.03 0.62 -0.03 1.96 -0.57 0.00 0.00 179.45 181.46 3cff h GLN 82 N 0.60 0.00 0.00 3.15 4.20 -1.39 -3.09 115.11 118.58 3cff h GLN 82 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3cff h GLN 82 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3cff h GLN 82 CO 0.01 0.03 0.00 0.77 -0.67 0.00 0.00 178.83 178.97 3cff h SER 83 N 0.00 0.00 -4.06 1.46 0.02 -1.29 -3.46 113.55 106.22 3cff h SER 83 Ca -0.00 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.49 3cff h SER 83 Cb 0.21 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.76 3cff h SER 83 CO 0.00 0.00 0.37 -0.36 -1.14 0.00 0.00 176.83 175.71 3cff s PHE 84 N -3.19 3.11 -0.71 3.45 0.08 -1.17 -0.87 117.98 118.69 3cff s PHE 84 Ca 0.08 1.59 0.25 0.00 0.12 0.00 0.00 56.93 58.97 3cff s PHE 84 Cb 0.06 -3.00 0.90 0.00 -0.57 0.00 0.00 43.02 40.41 3cff s PHE 84 CO 0.65 -0.59 1.76 -0.35 -0.10 0.00 0.00 175.22 176.59 3cff n PRO 85 N -0.80 0.20 -0.24 0.24 -0.04 -1.26 -4.83 135.00 128.26 3cff n PRO 85 Ca 0.08 0.25 0.02 0.00 -0.04 0.00 0.00 63.50 63.81 3cff n PRO 85 Cb 0.53 -1.78 0.25 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.97 0.00 0.54 3.07 -1.81 -3.38 114.58 113.98 3cff h GLU 86 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 3cff h GLU 86 Cb 0.59 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3cff h GLU 86 CO 0.00 0.64 0.00 0.41 -1.40 0.00 0.00 179.01 178.66 3cff n GLY 87 N -1.42 -1.77 3.74 -3.84 0.00 -0.04 -4.80 105.19 97.06 3cff n GLY 87 Ca 0.10 -1.61 -0.08 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.06 0.23 1.61 -0.12 -0.88 -1.41 117.98 117.35 3cff s PHE 88 Ca 0.00 -0.35 0.10 0.00 -0.05 0.00 0.00 56.93 56.63 3cff s PHE 88 Cb 0.00 0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 42.89 3cff s PHE 88 CO 0.00 -1.13 -0.17 0.95 -0.05 0.00 0.00 175.22 174.82 3cff s THR 89 N -3.93 2.06 0.10 -4.49 -4.23 0.37 -0.41 115.64 105.11 3cff s THR 89 Ca 0.13 -2.28 0.02 0.00 -1.18 0.00 0.00 61.69 58.38 3cff s THR 89 Cb -0.04 -2.15 -0.04 0.00 1.34 0.00 0.00 72.50 71.61 3cff s THR 89 CO 0.06 -0.50 -0.07 -1.66 -0.54 0.00 0.00 174.62 171.90 3cff s TRP 90 N -2.73 0.95 -0.02 3.99 1.48 -0.52 -0.19 118.94 121.90 3cff s TRP 90 Ca 0.25 -0.84 -0.03 0.00 -1.06 0.00 0.00 56.10 54.43 3cff s TRP 90 Cb -0.03 -0.53 0.00 0.00 -1.16 0.00 0.00 33.47 31.75 3cff s TRP 90 CO 0.10 -0.10 0.06 -1.83 -4.06 0.00 0.00 176.95 171.13 3cff s GLU 91 N -3.58 0.15 -0.12 3.25 -1.05 -0.51 -0.87 118.70 115.97 3cff s GLU 91 Ca 0.11 -0.04 -0.17 0.00 -0.15 0.00 0.00 54.97 54.72 3cff s GLU 91 Cb 0.03 0.06 0.04 0.00 -0.44 0.00 0.00 34.13 33.83 3cff s GLU 91 CO -0.03 -0.02 0.43 0.50 0.95 0.00 0.00 175.26 177.08 3cff s ARG 92 N -0.28 0.60 -0.12 -4.83 3.52 -0.25 -1.43 118.95 116.16 3cff s ARG 92 Ca -0.03 0.39 0.03 0.00 -0.13 0.00 0.00 55.73 55.98 3cff s ARG 92 Cb -0.02 0.28 0.01 0.00 -1.56 0.00 0.00 34.95 33.66 3cff s ARG 92 CO 0.00 -0.11 -0.20 0.99 -0.81 0.00 0.00 175.30 175.17 3cff s THR 93 N -0.26 1.85 -0.23 4.11 2.01 -0.93 -0.72 115.64 121.46 3cff s THR 93 Ca -0.04 -0.87 -0.08 0.00 0.31 0.00 0.00 61.69 61.00 3cff s THR 93 Cb -0.03 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 3cff s THR 93 CO 0.02 0.51 0.10 -0.89 -0.69 0.00 0.00 174.62 173.67 3cff s THR 94 N 0.72 4.78 -0.21 -0.82 2.01 0.51 -1.59 115.64 121.04 3cff s THR 94 Ca -0.11 -0.02 -0.06 0.00 0.31 0.00 0.00 61.69 61.81 3cff s THR 94 Cb -0.16 -3.22 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 3cff s THR 94 CO 0.01 0.36 0.03 0.42 -0.69 0.00 0.00 174.62 174.76 3cff s THR 95 N 1.15 4.14 0.08 -0.82 -4.23 -0.18 -0.97 115.64 114.82 3cff s THR 95 Ca 0.05 -0.24 -0.09 0.00 -1.18 0.00 0.00 61.69 60.23 3cff s THR 95 Cb -0.14 -2.89 -0.06 0.00 1.34 0.00 0.00 72.50 70.75 3cff s THR 95 CO 0.04 0.40 0.39 -0.31 -0.54 0.00 0.00 174.62 174.60 3cff s TYR 96 N 1.12 3.57 0.43 3.99 2.02 0.35 -0.92 117.35 127.91 3cff s TYR 96 Ca 0.03 0.75 0.38 0.00 -0.37 0.00 0.00 57.07 57.87 3cff s TYR 96 Cb -0.14 -2.13 1.93 0.00 -0.40 0.00 0.00 41.96 41.21 3cff s TYR 96 CO 0.02 0.52 2.20 1.05 -1.57 0.00 0.00 175.55 177.76 3cff h GLU 97 N 3.64 0.00 -0.64 -0.62 4.11 -1.43 -2.05 114.58 117.59 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 0.01 0.00 -0.40 0.07 0.00 0.00 179.01 179.36 3cff n ASP 98 N -3.17 5.17 0.00 3.06 5.75 -1.26 -4.93 116.55 121.17 3cff n ASP 98 Ca -0.02 -2.62 0.00 0.00 -0.01 0.00 0.00 54.79 52.15 3cff n ASP 98 Cb 0.18 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.64 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 0.99 0.42 3.78 6.12 0.00 -0.77 -4.51 105.19 111.22 3cff n GLY 99 Ca 0.27 0.00 -0.36 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 -1.83 2.67 -0.04 -0.02 0.00 -1.23 -4.55 107.32 102.33 3cff s GLY 100 Ca 0.00 0.80 0.03 0.00 0.00 0.00 0.00 44.72 45.56 3cff s GLY 100 CO 0.00 1.20 -0.13 -1.36 0.00 0.00 0.00 173.10 172.81 3cff s PHE 101 N -1.72 1.32 -0.21 1.90 0.08 -0.15 -0.50 117.98 118.71 3cff s PHE 101 Ca 0.67 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 57.33 3cff s PHE 101 Cb -0.24 -0.93 0.05 0.00 -0.57 0.00 0.00 43.02 41.34 3cff s PHE 101 CO 0.28 -0.16 -0.05 -1.17 -0.10 0.00 0.00 175.22 174.02 3cff s LEU 102 N 0.25 2.18 -0.10 -0.37 1.98 -0.15 -1.06 118.68 121.41 3cff s LEU 102 Ca -0.06 -0.98 -0.02 0.00 -2.89 0.00 0.00 54.13 50.18 3cff s LEU 102 Cb -0.11 -1.07 -0.03 0.00 0.66 0.00 0.00 46.19 45.63 3cff s LEU 102 CO 0.02 -0.22 -0.01 -0.89 -1.89 0.00 0.00 176.35 173.36 3cff s THR 103 N 1.49 4.19 -0.01 3.68 2.01 0.65 -0.36 115.64 127.29 3cff s THR 103 Ca -0.03 -0.29 -0.02 0.00 0.31 0.00 0.00 61.69 61.67 3cff s THR 103 Cb -0.17 -2.77 -0.00 0.00 0.01 0.00 0.00 72.50 69.56 3cff s THR 103 CO -0.07 0.58 0.03 0.00 -0.69 0.00 0.00 174.62 174.47 3cff s ALA 104 N -0.64 -0.06 -0.03 7.40 0.00 0.10 -0.81 121.76 127.72 3cff s ALA 104 Ca 0.10 -0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.04 3cff s ALA 104 Cb -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 3cff s ALA 104 CO 0.02 -0.07 -0.20 -1.58 0.00 0.00 0.00 175.76 173.93 3cff s HIS 105 N -0.46 1.90 -0.02 0.00 2.46 -0.47 -1.09 115.29 117.61 3cff s HIS 105 Ca -0.05 -0.46 0.03 0.00 0.47 0.00 0.00 55.06 55.04 3cff s HIS 105 Cb -0.03 -1.24 -0.00 0.00 -0.13 0.00 0.00 32.58 31.17 3cff s HIS 105 CO -0.00 -0.11 -0.09 -1.14 -2.47 0.00 0.00 174.74 170.93 3cff s GLN 106 N -0.25 0.83 -0.12 2.88 -0.44 -0.05 -0.89 119.66 121.62 3cff s GLN 106 Ca 0.02 -0.31 -0.01 0.00 -2.50 0.00 0.00 55.36 52.56 3cff s GLN 106 Cb -0.10 -0.79 -0.02 0.00 -1.64 0.00 0.00 33.01 30.46 3cff s GLN 106 CO 0.01 0.16 -0.08 0.34 0.50 0.00 0.00 175.29 176.21 3cff s ASP 107 N -0.02 4.44 -0.18 6.67 -1.08 -0.21 -1.44 116.67 124.85 3cff s ASP 107 Ca 0.01 -0.17 0.01 0.00 -0.52 0.00 0.00 52.55 51.87 3cff s ASP 107 Cb -0.06 -1.50 0.02 0.00 -1.46 0.00 0.00 42.92 39.92 3cff s ASP 107 CO -0.00 0.23 -0.19 -0.89 0.52 0.00 0.00 175.17 174.84 3cff s THR 108 N -0.02 2.20 0.16 1.71 2.01 0.45 -1.64 115.64 120.52 3cff s THR 108 Ca -0.01 -0.90 0.08 0.00 0.31 0.00 0.00 61.69 61.17 3cff s THR 108 Cb -0.14 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 3cff s THR 108 CO 0.03 0.53 -0.17 -0.94 -0.69 0.00 0.00 174.62 173.38 3cff s SER 109 N 1.26 2.52 -0.34 3.53 1.04 -0.42 -2.08 113.70 119.21 3cff s SER 109 Ca 0.04 -0.88 -0.10 0.00 0.48 0.00 0.00 55.95 55.49 3cff s SER 109 Cb -0.13 -0.13 0.01 0.00 0.10 0.00 0.00 66.02 65.86 3cff s SER 109 CO -0.11 -0.08 0.18 -0.22 0.98 0.00 0.00 173.24 173.99 3cff s LEU 110 N -2.73 4.38 -0.89 2.42 2.96 -1.26 -0.40 118.68 123.16 3cff s LEU 110 Ca 0.15 -0.72 -0.07 0.00 -0.22 0.00 0.00 54.13 53.28 3cff s LEU 110 Cb -0.05 -2.02 0.22 0.00 0.50 0.00 0.00 46.19 44.85 3cff s LEU 110 CO 0.06 -0.28 0.80 -0.62 -1.32 0.00 0.00 176.35 175.00 3cff s ASP 111 N 1.59 6.37 0.49 3.68 2.15 -1.26 -4.97 116.67 124.72 3cff s ASP 111 Ca 0.04 -3.31 0.00 0.00 0.43 0.00 0.00 52.55 49.70 3cff s ASP 111 Cb -0.18 -2.04 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 3cff s ASP 111 CO 0.07 -0.33 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 3cff n GLY 112 N 2.99 0.66 2.18 2.66 0.00 -1.26 -4.74 105.19 107.69 3cff n GLY 112 Ca 0.18 0.51 -0.24 0.00 0.00 0.00 0.00 46.02 46.47 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 6.22 4.15 -3.89 1.61 5.75 -1.26 -5.20 116.55 123.93 3cff n ASP 113 Ca 0.00 -3.55 -0.17 0.00 -0.01 0.00 0.00 54.79 51.06 3cff n ASP 113 Cb 0.00 -0.84 -0.16 0.00 -1.03 0.00 0.00 41.12 39.09 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 -3.20 1.54 -0.15 -2.12 1.43 -1.26 -5.19 118.68 109.73 3cff s LEU 115 Ca 0.55 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.59 3cff s LEU 115 Cb 0.46 -0.29 0.01 0.00 0.03 0.00 0.00 46.19 46.39 3cff s LEU 115 CO 0.09 -0.03 -0.19 -0.69 0.23 0.00 0.00 176.35 175.77 3cff s VAL 116 N 0.55 2.32 -0.13 -1.59 1.01 0.46 -4.93 120.40 118.09 3cff s VAL 116 Ca -0.06 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 3cff s VAL 116 Cb -0.09 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 3cff s VAL 116 CO -0.01 0.53 -0.08 -0.31 0.00 0.00 0.00 175.10 175.24 3cff s TYR 117 N 0.91 2.93 -0.13 5.22 2.02 -1.26 -1.30 117.35 125.74 3cff s TYR 117 Ca -0.04 -0.33 0.02 0.00 -0.37 0.00 0.00 57.07 56.35 3cff s TYR 117 Cb -0.15 -1.86 0.02 0.00 -0.40 0.00 0.00 41.96 39.57 3cff s TYR 117 CO -0.03 -0.00 -0.17 0.15 -1.57 0.00 0.00 175.55 173.93 3cff s LYS 118 N 0.07 2.53 -0.05 -0.62 1.02 -0.65 -4.99 119.74 117.04 3cff s LYS 118 Ca -0.02 -0.67 0.05 0.00 0.02 0.00 0.00 55.97 55.36 3cff s LYS 118 Cb -0.14 -2.16 -0.01 0.00 -0.52 0.00 0.00 37.83 35.01 3cff s LYS 118 CO 0.03 -0.11 -0.22 0.08 -0.92 0.00 0.00 175.35 174.22 3cff s VAL 119 N 1.09 1.79 -0.07 3.17 1.01 -1.26 -1.04 120.40 125.09 3cff s VAL 119 Ca -0.03 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.08 3cff s VAL 119 Cb -0.14 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 3cff s VAL 119 CO -0.05 0.50 -0.20 -0.54 0.00 0.00 0.00 175.10 174.82 3cff s LYS 120 N -0.05 2.74 -0.05 2.72 -0.14 -0.07 -5.00 119.74 119.89 3cff s LYS 120 Ca -0.05 -0.81 0.03 0.00 -1.36 0.00 0.00 55.97 53.79 3cff s LYS 120 Cb -0.13 -2.32 0.01 0.00 -1.68 0.00 0.00 37.83 33.70 3cff s LYS 120 CO 0.03 0.40 -0.13 0.42 -0.76 0.00 0.00 175.35 175.31 3cff s ILE 121 N -0.17 1.16 -0.10 2.17 -1.09 -1.26 -1.37 121.20 120.54 3cff s ILE 121 Ca -0.02 -0.53 -0.00 0.00 -2.23 0.00 0.00 60.65 57.87 3cff s ILE 121 Cb -0.14 -1.03 0.02 0.00 -1.58 0.00 0.00 42.46 39.74 3cff s ILE 121 CO 0.04 0.35 -0.07 -0.76 -1.23 0.00 0.00 174.94 173.26 3cff s LEU 122 N 0.37 1.19 0.03 2.97 1.43 0.01 -5.01 118.68 119.67 3cff s LEU 122 Ca -0.09 -0.28 0.07 0.00 -1.03 0.00 0.00 54.13 52.80 3cff s LEU 122 Cb -0.13 -0.80 -0.02 0.00 0.03 0.00 0.00 46.19 45.27 3cff s LEU 122 CO 0.03 -0.11 -0.21 -0.83 0.23 0.00 0.00 176.35 175.46 3cff s GLY 123 N 1.61 1.10 0.21 -3.19 0.00 -1.26 -0.25 107.32 105.54 3cff s GLY 123 Ca 0.03 -1.02 -0.19 0.00 0.00 0.00 0.00 44.72 43.54 3cff s GLY 123 CO -0.07 -0.92 0.57 0.54 0.00 0.00 0.00 173.10 173.22 3cff s ASN 124 N -0.97 -0.30 -0.65 1.64 2.20 -0.22 -4.96 114.94 111.68 3cff s ASN 124 Ca 0.08 -0.44 0.00 0.00 -0.94 0.00 0.00 52.86 51.56 3cff s ASN 124 Cb -0.09 0.61 0.00 0.00 -2.00 0.00 0.00 41.25 39.77 3cff s ASN 124 CO 0.01 -1.09 0.00 0.59 -2.94 0.00 0.00 177.10 173.66 3cff n ASN 125 N -0.37 -5.34 -4.70 3.54 3.02 -1.26 -0.97 115.26 109.17 3cff n ASN 125 Ca -0.10 0.15 -0.42 0.00 -0.03 0.00 0.00 54.58 54.18 3cff n ASN 125 Cb 0.62 -3.38 -0.03 0.00 -0.61 0.00 0.00 39.78 36.38 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 -1.69 2.71 0.35 3.10 0.08 -1.26 -3.47 117.98 117.80 3cff s PHE 126 Ca 0.00 0.54 -0.29 0.00 0.12 0.00 0.00 56.93 57.30 3cff s PHE 126 Cb 0.00 -3.87 -0.11 0.00 -0.57 0.00 0.00 43.02 38.47 3cff s PHE 126 CO 0.00 -3.37 1.52 -2.14 -0.10 0.00 0.00 175.22 171.13 3cff s PRO 127 N 2.13 4.12 0.37 0.24 0.02 -1.26 -4.90 135.00 135.72 3cff s PRO 127 Ca 0.70 2.57 0.04 0.00 0.02 0.00 0.00 61.00 64.33 3cff s PRO 127 Cb -0.39 -2.99 0.70 0.00 0.02 0.00 0.00 34.50 31.84 3cff s PRO 127 CO 0.31 -0.56 2.00 0.00 -0.33 0.00 0.00 177.00 178.41 3cff h ALA 128 N 3.65 1.56 -0.01 -1.55 0.00 -1.98 -2.34 119.26 118.59 3cff h ALA 128 Ca -0.49 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3cff h ALA 128 Cb 1.23 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3cff h ALA 128 CO 0.69 0.38 -0.00 -0.40 0.00 0.00 0.00 179.25 179.92 3cff n ASP 129 N -4.42 1.26 -4.89 0.00 5.75 -1.26 -4.27 116.55 108.72 3cff n ASP 129 Ca 0.04 -1.42 -0.29 0.00 -0.01 0.00 0.00 54.79 53.11 3cff n ASP 129 Cb 0.09 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.21 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 -2.00 1.61 0.56 6.12 0.00 -0.88 -4.86 107.32 107.87 3cff s GLY 130 Ca 0.40 -0.38 0.28 0.00 0.00 0.00 0.00 44.72 45.02 3cff s GLY 130 CO 0.34 -0.09 2.18 -0.56 0.00 0.00 0.00 173.10 174.97 3cff h PRO 131 N -0.34 0.00 0.24 2.90 0.13 -1.92 -1.03 132.00 131.98 3cff h PRO 131 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 3cff h PRO 131 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3cff h PRO 131 CO 0.62 0.05 -0.12 0.28 -0.23 0.00 0.00 178.00 178.61 3cff h VAL 132 N 0.00 0.76 0.00 1.56 2.07 -1.93 -0.40 116.25 118.30 3cff h VAL 132 Ca -0.00 -0.81 -0.09 0.00 0.82 0.00 0.00 66.70 66.62 3cff h VAL 132 Cb 0.14 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3cff h VAL 132 CO 0.01 0.16 -0.44 0.24 0.02 0.00 0.00 177.57 177.55 3cff h MET 133 N -0.79 0.00 -0.00 1.57 2.86 -1.71 -2.70 114.93 114.16 3cff h MET 133 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 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 0.05 0.44 -0.06 1.04 1.06 0.00 0.00 176.91 179.45 3cff n GLN 134 N -3.50 0.38 -3.60 1.72 1.13 -0.41 -4.94 117.38 108.16 3cff n GLN 134 Ca 0.00 -0.06 -0.23 0.00 -1.94 0.00 0.00 57.00 54.77 3cff n GLN 134 Cb 0.57 -1.50 0.08 0.00 0.11 0.00 0.00 30.24 29.50 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 -1.26 -5.43 -0.46 1.08 2.85 -0.97 -4.93 115.26 106.14 3cff n ASN 135 Ca 0.12 -0.58 0.09 0.00 -0.11 0.00 0.00 54.58 54.10 3cff n ASN 135 Cb 0.28 -4.94 0.19 0.00 1.24 0.00 0.00 39.78 36.54 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 -4.83 2.13 -2.61 1.20 5.02 -0.20 -5.04 118.16 113.84 3cff n LYS 136 Ca -0.05 -2.65 -0.34 0.00 -2.02 0.00 0.00 58.31 53.25 3cff n LYS 136 Cb 0.58 -1.64 -0.04 0.00 -0.02 0.00 0.00 35.03 33.91 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 -2.75 2.94 -0.16 7.82 0.00 -1.21 -4.25 121.76 124.15 3cff s ALA 137 Ca 0.35 0.57 0.17 0.00 0.00 0.00 0.00 51.96 53.06 3cff s ALA 137 Cb 0.30 -3.23 0.44 0.00 0.00 0.00 0.00 23.12 20.62 3cff s ALA 137 CO 0.06 -0.19 1.32 0.41 0.00 0.00 0.00 175.76 177.35 3cff n GLY 138 N -0.24 4.41 0.00 0.00 0.00 0.95 -5.01 105.19 105.30 3cff n GLY 138 Ca 0.08 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.90 0.11 3.89 -0.02 0.00 -1.26 -4.73 105.19 102.28 3cff n GLY 139 Ca 0.20 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.66 3.54 0.66 1.61 0.52 -1.26 -0.66 118.94 121.68 3cff s TRP 140 Ca 0.00 0.56 -0.14 0.00 0.02 0.00 0.00 56.10 56.54 3cff s TRP 140 Cb 0.00 -1.99 -0.01 0.00 -1.15 0.00 0.00 33.47 30.33 3cff s TRP 140 CO 0.00 0.55 1.07 -1.21 0.02 0.00 0.00 176.95 177.38 3cff s GLU 141 N -2.12 2.97 0.78 4.98 0.41 -0.57 -4.78 118.70 120.37 3cff s GLU 141 Ca 0.33 1.18 -0.14 0.00 -0.41 0.00 0.00 54.97 55.93 3cff s GLU 141 Cb -0.13 -1.99 0.04 0.00 -1.78 0.00 0.00 34.13 30.28 3cff s GLU 141 CO 0.20 -1.09 1.01 -0.35 -0.49 0.00 0.00 175.26 174.54 3cff n PRO 142 N -2.58 0.26 -4.16 0.39 -0.04 -1.26 -4.72 135.00 122.90 3cff n PRO 142 Ca 0.09 0.16 -0.10 0.00 -0.04 0.00 0.00 63.50 63.60 3cff n PRO 142 Cb 0.53 -2.27 -0.10 0.00 -0.04 0.00 0.00 33.50 31.61 3cff n PRO 142 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3cff s GLY 143 N -1.90 1.09 -0.04 0.55 0.00 0.27 -4.87 107.32 102.43 3cff s GLY 143 Ca 0.71 -1.52 0.05 0.00 0.00 0.00 0.00 44.72 43.96 3cff s GLY 143 CO 0.52 -1.37 -0.18 0.00 0.00 0.00 0.00 173.10 172.07 3cff s GLU 145 N -0.07 2.42 -0.13 0.00 2.12 0.05 -4.13 118.70 118.97 3cff s GLU 145 Ca -0.02 -0.76 -0.08 0.00 0.36 0.00 0.00 54.97 54.48 3cff s GLU 145 Cb -0.11 -2.29 -0.04 0.00 0.26 0.00 0.00 34.13 31.95 3cff s GLU 145 CO 0.02 0.59 0.15 0.96 -0.54 0.00 0.00 175.26 176.44 3cff s ILE 146 N -0.66 5.48 -0.02 -3.70 -4.36 0.17 -0.74 121.20 117.37 3cff s ILE 146 Ca 0.10 0.23 0.02 0.00 -0.26 0.00 0.00 60.65 60.74 3cff s ILE 146 Cb -0.11 -3.42 0.00 0.00 1.25 0.00 0.00 42.46 40.19 3cff s ILE 146 CO 0.00 0.60 -0.06 -0.76 0.24 0.00 0.00 174.94 174.95 3cff s LEU 147 N -0.85 1.76 0.09 0.37 1.02 -0.21 -1.04 118.68 119.82 3cff s LEU 147 Ca 0.14 -0.13 -0.25 0.00 0.02 0.00 0.00 54.13 53.90 3cff s LEU 147 Cb -0.12 -0.41 0.08 0.00 0.02 0.00 0.00 46.19 45.75 3cff s LEU 147 CO 0.04 0.04 0.67 -0.72 0.02 0.00 0.00 176.35 176.40 3cff s TYR 148 N 0.23 -0.52 0.19 0.29 -0.85 -0.83 -1.59 117.35 114.27 3cff s TYR 148 Ca -0.03 0.45 -0.30 0.00 -0.52 0.00 0.00 57.07 56.67 3cff s TYR 148 Cb -0.07 0.53 -0.09 0.00 0.38 0.00 0.00 41.96 42.71 3cff s TYR 148 CO 0.00 -0.75 1.30 -2.00 -1.52 0.00 0.00 175.55 172.58 3cff s GLU 149 N -3.15 4.40 -0.03 -3.49 2.12 -1.26 -1.22 118.70 116.06 3cff s GLU 149 Ca -0.00 2.03 0.00 0.00 0.36 0.00 0.00 54.97 57.35 3cff s GLU 149 Cb -0.01 -3.21 0.03 0.00 0.26 0.00 0.00 34.13 31.20 3cff s GLU 149 CO -0.08 -0.24 0.00 0.08 -0.54 0.00 0.00 175.26 174.48 3cff s VAL 150 N 0.15 0.20 -1.91 3.70 1.01 -0.29 -4.88 120.40 118.38 3cff s VAL 150 Ca 0.56 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.64 3cff s VAL 150 Cb -0.36 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 35.72 3cff s VAL 150 CO 0.37 0.16 0.00 0.47 0.00 0.00 0.00 175.10 176.11 3cff n ASP 151 N 4.29 -5.69 -0.03 3.32 8.00 -1.26 -1.60 116.55 123.59 3cff n ASP 151 Ca -0.23 0.17 -0.00 0.00 0.71 0.00 0.00 54.79 55.44 3cff n ASP 151 Cb 0.50 -4.84 -0.00 0.00 -0.02 0.00 0.00 41.12 36.76 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 -0.79 0.47 3.56 0.44 0.00 -1.26 -5.03 105.19 102.58 3cff n GLY 152 Ca -0.23 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.96 0.83 -0.26 1.61 -7.23 -0.63 -4.74 120.40 108.02 3cff s VAL 153 Ca 0.00 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.08 3cff s VAL 153 Cb 0.00 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 3cff s VAL 153 CO 0.00 0.00 0.14 -0.22 -0.31 0.00 0.00 175.10 174.71 3cff s LEU 154 N -3.65 3.80 -0.02 1.32 2.96 -1.02 -1.14 118.68 120.93 3cff s LEU 154 Ca 0.22 -0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 54.01 3cff s LEU 154 Cb 0.03 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 3cff s LEU 154 CO 0.12 -0.02 0.21 0.00 -1.32 0.00 0.00 176.35 175.34 3cff s GLY 156 N -1.67 0.69 -0.03 0.00 0.00 0.21 -1.96 107.32 104.55 3cff s GLY 156 Ca 0.25 -0.54 0.01 0.00 0.00 0.00 0.00 44.72 44.44 3cff s GLY 156 CO 0.15 -0.34 -0.03 1.20 0.00 0.00 0.00 173.10 174.08 3cff s GLN 157 N -0.09 0.56 -0.03 2.90 -1.52 -0.20 -0.62 119.66 120.66 3cff s GLN 157 Ca 0.01 -0.04 -0.13 0.00 -1.95 0.00 0.00 55.36 53.25 3cff s GLN 157 Cb -0.08 -0.64 0.02 0.00 -0.22 0.00 0.00 33.01 32.10 3cff s GLN 157 CO 0.00 -0.08 0.28 0.45 -0.25 0.00 0.00 175.29 175.69 3cff s SER 158 N 0.85 -0.18 -0.11 5.90 0.15 -0.94 -0.65 113.70 118.71 3cff s SER 158 Ca -0.10 0.14 -0.03 0.00 0.70 0.00 0.00 55.95 56.66 3cff s SER 158 Cb -0.13 0.35 -0.03 0.00 -1.71 0.00 0.00 66.02 64.50 3cff s SER 158 CO -0.01 -0.37 -0.01 -0.76 1.20 0.00 0.00 173.24 173.29 3cff s LEU 159 N -1.07 3.49 0.21 3.45 1.43 -1.26 -0.29 118.68 124.65 3cff s LEU 159 Ca -0.11 0.05 0.09 0.00 -1.03 0.00 0.00 54.13 53.13 3cff s LEU 159 Cb -0.05 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 3cff s LEU 159 CO 0.03 0.30 -0.16 -0.04 0.23 0.00 0.00 176.35 176.70 3cff s MET 160 N -0.39 1.38 -0.13 1.70 -1.94 -0.39 -4.49 119.30 115.04 3cff s MET 160 Ca 0.07 -1.58 -0.01 0.00 -1.71 0.00 0.00 55.69 52.47 3cff s MET 160 Cb -0.12 -1.30 0.03 0.00 2.01 0.00 0.00 34.83 35.45 3cff s MET 160 CO 0.02 0.24 -0.04 0.00 -0.01 0.00 0.00 175.02 175.23 3cff s ALA 161 N -2.64 1.21 -0.09 3.03 0.00 -1.26 -1.23 121.76 120.78 3cff s ALA 161 Ca 0.22 -0.56 -0.23 0.00 0.00 0.00 0.00 51.96 51.38 3cff s ALA 161 Cb -0.03 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 3cff s ALA 161 CO 0.08 -0.63 0.70 -1.17 0.00 0.00 0.00 175.76 174.74 3cff s LEU 162 N 1.76 4.29 0.10 0.00 2.96 0.99 -1.51 118.68 127.26 3cff s LEU 162 Ca 0.03 1.14 -0.31 0.00 -0.22 0.00 0.00 54.13 54.77 3cff s LEU 162 Cb -0.14 -3.06 -0.07 0.00 0.50 0.00 0.00 46.19 43.42 3cff s LEU 162 CO -0.07 -0.15 1.25 -0.54 -1.32 0.00 0.00 176.35 175.52 3cff s LYS 163 N 1.00 4.41 0.27 1.98 1.02 0.16 -0.37 119.74 128.21 3cff s LYS 163 Ca 0.36 1.88 0.07 0.00 0.02 0.00 0.00 55.97 58.31 3cff s LYS 163 Cb -0.17 -3.30 -0.06 0.00 -0.52 0.00 0.00 37.83 33.78 3cff s LYS 163 CO 0.17 -0.28 -0.09 0.00 -0.92 0.00 0.00 175.35 174.23 3cff n PRO 165 N -0.57 1.27 -1.09 0.00 -0.02 -1.26 -2.95 135.00 130.39 3cff n PRO 165 Ca -0.06 0.46 -0.02 0.00 -2.02 0.00 0.00 63.50 61.86 3cff n PRO 165 Cb 0.63 -2.02 -0.01 0.00 -0.02 0.00 0.00 33.50 32.08 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 1.23 0.53 2.18 -1.23 0.00 -1.26 -3.46 105.19 103.18 3cff n GLY 166 Ca 0.10 -0.99 -0.05 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.70 0.75 3.92 -0.02 0.00 -1.18 -5.03 105.19 100.92 3cff n GLY 167 Ca -0.02 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.18 3.28 0.07 1.61 0.52 -1.15 -4.93 118.95 116.17 3cff s ARG 168 Ca 0.00 0.03 0.06 0.00 -0.52 0.00 0.00 55.73 55.30 3cff s ARG 168 Cb 0.00 -2.38 -0.03 0.00 0.52 0.00 0.00 34.95 33.06 3cff s ARG 168 CO 0.00 -0.36 -0.17 -1.01 0.02 0.00 0.00 175.30 173.79 3cff s HIS 169 N -2.78 1.44 -0.19 -0.53 3.76 -1.26 -0.34 115.29 115.39 3cff s HIS 169 Ca 0.49 -0.41 -0.00 0.00 -0.15 0.00 0.00 55.06 54.99 3cff s HIS 169 Cb -0.10 -0.82 0.01 0.00 1.11 0.00 0.00 32.58 32.78 3cff s HIS 169 CO 0.44 0.10 -0.16 -1.17 -0.85 0.00 0.00 174.74 173.09 3cff s LEU 170 N -1.58 2.34 0.33 0.89 2.96 0.50 -4.91 118.68 119.20 3cff s LEU 170 Ca 0.02 -0.58 0.00 0.00 -0.22 0.00 0.00 54.13 53.36 3cff s LEU 170 Cb -0.09 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 3cff s LEU 170 CO 0.03 -0.00 0.53 0.54 -1.32 0.00 0.00 176.35 176.12 3cff s ASN 171 N 1.31 6.31 0.14 3.68 2.20 -1.26 -0.01 114.94 127.31 3cff s ASN 171 Ca 0.05 0.45 -0.13 0.00 -0.94 0.00 0.00 52.86 52.29 3cff s ASN 171 Cb -0.13 -2.03 0.01 0.00 -2.00 0.00 0.00 41.25 37.10 3cff s ASN 171 CO -0.10 -0.26 0.34 0.00 -2.94 0.00 0.00 177.10 174.14 3cff s ARG 173 N -3.87 2.53 -0.25 0.00 3.52 -0.10 -1.26 118.95 119.52 3cff s ARG 173 Ca 0.08 -0.71 -0.10 0.00 -0.13 0.00 0.00 55.73 54.87 3cff s ARG 173 Cb 0.03 -1.96 -0.05 0.00 -1.56 0.00 0.00 34.95 31.41 3cff s ARG 173 CO -0.07 0.13 0.15 -0.51 -0.81 0.00 0.00 175.30 174.19 3cff s LEU 174 N 0.44 3.97 -0.38 -0.88 1.02 0.61 -1.01 118.68 122.45 3cff s LEU 174 Ca -0.17 0.03 -0.06 0.00 0.02 0.00 0.00 54.13 53.96 3cff s LEU 174 Cb -0.17 -2.07 0.07 0.00 0.02 0.00 0.00 46.19 44.04 3cff s LEU 174 CO 0.07 0.03 0.16 -1.00 0.02 0.00 0.00 176.35 175.63 3cff s HIS 175 N 1.26 3.36 0.02 0.29 3.76 -0.62 -2.22 115.29 121.14 3cff s HIS 175 Ca 0.07 -1.74 0.08 0.00 -0.15 0.00 0.00 55.06 53.32 3cff s HIS 175 Cb -0.14 -2.69 -0.02 0.00 1.11 0.00 0.00 32.58 30.83 3cff s HIS 175 CO 0.06 -0.84 -0.24 0.99 -0.85 0.00 0.00 174.74 173.86 3cff s THR 176 N 1.33 1.96 -0.11 1.30 2.01 0.21 -2.20 115.64 120.14 3cff s THR 176 Ca 0.02 -1.22 0.03 0.00 0.31 0.00 0.00 61.69 60.82 3cff s THR 176 Cb -0.21 -1.66 0.01 0.00 0.01 0.00 0.00 72.50 70.64 3cff s THR 176 CO 0.00 0.40 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.24 3cff s THR 177 N -0.72 1.81 -0.18 -0.82 2.01 -0.52 -0.62 115.64 116.61 3cff s THR 177 Ca 0.10 -0.85 -0.07 0.00 0.31 0.00 0.00 61.69 61.18 3cff s THR 177 Cb -0.09 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 3cff s THR 177 CO 0.01 0.50 0.05 -0.31 -0.69 0.00 0.00 174.62 174.19 3cff s TYR 178 N 0.67 3.22 -0.23 4.92 2.02 0.12 -1.42 117.35 126.65 3cff s TYR 178 Ca -0.12 0.02 0.01 0.00 -0.37 0.00 0.00 57.07 56.61 3cff s TYR 178 Cb -0.16 -2.08 0.06 0.00 -0.40 0.00 0.00 41.96 39.38 3cff s TYR 178 CO 0.03 0.11 -0.07 1.03 -1.57 0.00 0.00 175.55 175.08 3cff s ARG 179 N 0.43 1.81 0.53 -0.62 0.52 0.74 -2.45 118.95 119.91 3cff s ARG 179 Ca 0.02 -1.03 -0.21 0.00 -0.52 0.00 0.00 55.73 54.00 3cff s ARG 179 Cb -0.13 -2.61 -0.06 0.00 0.52 0.00 0.00 34.95 32.67 3cff s ARG 179 CO 0.01 -0.56 1.19 0.45 0.02 0.00 0.00 175.30 176.40 3cff s SER 180 N 1.34 5.67 0.00 0.23 0.15 -1.26 -0.47 113.70 119.35 3cff s SER 180 Ca -0.06 2.34 0.27 0.00 0.70 0.00 0.00 55.95 59.20 3cff s SER 180 Cb -0.19 -2.60 0.81 0.00 -1.71 0.00 0.00 66.02 62.34 3cff s SER 180 CO -0.06 -1.26 1.61 0.29 1.20 0.00 0.00 173.24 175.01 3cff n LYS 181 N -1.08 0.50 -2.86 5.44 5.02 -0.50 -4.80 118.16 119.87 3cff n LYS 181 Ca 0.11 -0.26 -0.33 0.00 -2.02 0.00 0.00 58.31 55.81 3cff n LYS 181 Cb 0.49 -1.49 -0.07 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 -2.68 4.21 0.56 1.97 1.02 -1.26 -4.98 119.74 118.59 3cff s LYS 182 Ca 0.21 1.06 -0.18 0.00 0.02 0.00 0.00 55.97 57.07 3cff s LYS 182 Cb 0.19 -2.25 -0.05 0.00 -0.52 0.00 0.00 37.83 35.20 3cff s LYS 182 CO 0.57 0.01 1.11 -2.14 -0.92 0.00 0.00 175.35 173.98 3cff s PRO 183 N -3.10 3.28 0.48 -1.68 0.02 -1.26 -4.91 135.00 127.83 3cff s PRO 183 Ca 0.60 1.53 0.22 0.00 0.02 0.00 0.00 61.00 63.37 3cff s PRO 183 Cb -0.10 -2.00 1.24 0.00 0.02 0.00 0.00 34.50 33.66 3cff s PRO 183 CO 0.14 -0.89 1.93 0.00 -0.33 0.00 0.00 177.00 177.85 3cff h ALA 184 N 0.96 2.39 0.00 -1.55 0.00 -1.94 -0.22 119.26 118.89 3cff h ALA 184 Ca -0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3cff h ALA 184 Cb 1.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3cff h ALA 184 CO 0.57 -0.60 -0.04 0.66 0.00 0.00 0.00 179.25 179.84 3cff h SER 185 N 0.21 0.00 -0.30 0.00 4.64 -1.96 -2.37 113.55 113.77 3cff h SER 185 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3cff h SER 185 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3cff h SER 185 CO -0.07 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 175.92 3cff n ALA 186 N -2.14 2.46 -2.37 5.18 0.00 -0.10 -4.95 120.51 118.59 3cff n ALA 186 Ca -0.01 -0.80 -0.30 0.00 0.00 0.00 0.00 53.44 52.33 3cff n ALA 186 Cb 0.22 -0.96 -0.14 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.51 2.27 -0.50 0.00 1.02 -0.89 -5.00 118.68 114.06 3cff s LEU 187 Ca 0.36 -0.65 -0.17 0.00 0.02 0.00 0.00 54.13 53.68 3cff s LEU 187 Cb 0.20 -1.27 0.07 0.00 0.02 0.00 0.00 46.19 45.21 3cff s LEU 187 CO 0.29 0.22 0.52 -0.75 0.02 0.00 0.00 176.35 176.66 3cff s LYS 188 N -1.63 3.04 0.06 1.70 2.20 -1.26 -4.99 119.74 118.86 3cff s LYS 188 Ca 0.13 -1.20 -0.31 0.00 -0.36 0.00 0.00 55.97 54.24 3cff s LYS 188 Cb -0.10 -4.15 -0.06 0.00 -1.51 0.00 0.00 37.83 32.02 3cff s LYS 188 CO 0.04 -1.17 1.20 1.41 -0.36 0.00 0.00 175.35 176.47 3cff s MET 189 N 2.12 4.43 0.55 4.03 -2.45 -1.26 -4.71 119.30 122.01 3cff s MET 189 Ca 0.09 1.77 -0.19 0.00 -1.25 0.00 0.00 55.69 56.11 3cff s MET 189 Cb -0.23 -3.35 -0.05 0.00 1.25 0.00 0.00 34.83 32.45 3cff s MET 189 CO 0.08 -0.26 1.10 -1.25 1.05 0.00 0.00 175.02 175.75 3cff s PRO 190 N 1.09 3.36 0.95 4.11 0.04 -1.26 -4.93 135.00 138.36 3cff s PRO 190 Ca 0.59 1.50 -0.12 0.00 0.04 0.00 0.00 61.00 63.01 3cff s PRO 190 Cb -0.29 -2.02 0.16 0.00 0.04 0.00 0.00 34.50 32.39 3cff s PRO 190 CO 0.29 -0.82 1.10 -1.21 0.04 0.00 0.00 177.00 176.40 3cff s GLU 191 N -3.45 0.84 -0.01 4.56 0.41 -1.26 -4.50 118.70 115.29 3cff s GLU 191 Ca 0.70 0.55 -0.38 0.00 -0.41 0.00 0.00 54.97 55.44 3cff s GLU 191 Cb -0.21 -1.78 -0.17 0.00 -1.78 0.00 0.00 34.13 30.19 3cff s GLU 191 CO 0.28 -2.46 1.44 0.34 -0.49 0.00 0.00 175.26 174.37 3cff n PHE 192 N -3.99 1.62 -3.94 1.61 7.35 -1.26 -4.77 117.46 114.08 3cff n PHE 192 Ca 0.06 0.63 -0.11 0.00 -0.76 0.00 0.00 57.45 57.27 3cff n PHE 192 Cb 0.57 -2.36 -0.01 0.00 0.35 0.00 0.00 39.48 38.03 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 1.25 0.44 0.11 -5.13 -3.43 -0.62 -4.96 115.29 102.94 3cff s HIS 193 Ca 0.88 -0.89 0.07 0.00 -0.80 0.00 0.00 55.06 54.32 3cff s HIS 193 Cb -1.00 0.42 -0.04 0.00 -1.43 0.00 0.00 32.58 30.53 3cff s HIS 193 CO 0.52 -1.30 -0.11 -0.06 -2.00 0.00 0.00 174.74 171.79 3cff s PHE 194 N -3.00 2.71 -0.18 0.38 0.08 -0.39 -1.04 117.98 116.54 3cff s PHE 194 Ca 0.21 -0.17 0.01 0.00 0.12 0.00 0.00 56.93 57.09 3cff s PHE 194 Cb -0.03 -1.42 0.04 0.00 -0.57 0.00 0.00 43.02 41.04 3cff s PHE 194 CO 0.13 0.42 -0.11 -1.21 -0.10 0.00 0.00 175.22 174.35 3cff s GLU 195 N -2.20 2.08 -0.01 0.44 2.02 0.08 -1.02 118.70 120.10 3cff s GLU 195 Ca 0.21 -0.73 -0.22 0.00 0.02 0.00 0.00 54.97 54.25 3cff s GLU 195 Cb -0.11 -2.29 -0.05 0.00 0.10 0.00 0.00 34.13 31.78 3cff s GLU 195 CO 0.13 -0.37 0.66 -0.51 0.02 0.00 0.00 175.26 175.19 3cff s ASP 196 N 1.44 7.03 -0.01 -0.19 1.01 0.20 -0.77 116.67 125.38 3cff s ASP 196 Ca 0.01 1.23 0.03 0.00 0.71 0.00 0.00 52.55 54.53 3cff s ASP 196 Cb -0.15 -2.40 -0.00 0.00 1.01 0.00 0.00 42.92 41.38 3cff s ASP 196 CO -0.09 0.03 -0.09 -1.00 0.21 0.00 0.00 175.17 174.23 3cff s HIS 197 N 0.07 0.84 -0.09 4.23 3.76 -0.00 -1.73 115.29 122.37 3cff s HIS 197 Ca 0.34 -0.17 0.00 0.00 -0.15 0.00 0.00 55.06 55.08 3cff s HIS 197 Cb -0.19 -0.56 0.02 0.00 1.11 0.00 0.00 32.58 32.97 3cff s HIS 197 CO 0.19 -0.03 -0.07 0.50 -0.85 0.00 0.00 174.74 174.47 3cff s ARG 198 N -0.12 1.35 -0.16 1.40 3.52 -0.56 -0.56 118.95 123.81 3cff s ARG 198 Ca 0.02 -0.22 -0.01 0.00 -0.13 0.00 0.00 55.73 55.40 3cff s ARG 198 Cb -0.05 -1.36 -0.01 0.00 -1.56 0.00 0.00 34.95 31.97 3cff s ARG 198 CO -0.00 -0.18 -0.12 0.42 -0.81 0.00 0.00 175.30 174.60 3cff s ILE 199 N 1.41 2.94 -0.05 4.11 1.01 -1.26 -1.95 121.20 127.42 3cff s ILE 199 Ca -0.01 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 59.99 3cff s ILE 199 Cb -0.13 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.08 3cff s ILE 199 CO -0.04 0.50 -0.16 -1.61 0.00 0.00 0.00 174.94 173.64 3cff s GLU 200 N 0.75 1.82 -0.03 2.79 2.02 0.19 -4.45 118.70 121.79 3cff s GLU 200 Ca -0.05 -0.55 0.06 0.00 0.02 0.00 0.00 54.97 54.45 3cff s GLU 200 Cb -0.15 -1.53 -0.01 0.00 0.10 0.00 0.00 34.13 32.54 3cff s GLU 200 CO 0.01 0.16 -0.21 0.08 0.02 0.00 0.00 175.26 175.32 3cff s VAL 201 N 0.29 1.70 -0.13 2.63 1.01 -1.26 -0.56 120.40 124.07 3cff s VAL 201 Ca -0.09 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.01 3cff s VAL 201 Cb -0.13 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 3cff s VAL 201 CO 0.03 0.48 -0.16 -0.54 0.00 0.00 0.00 175.10 174.91 3cff s LYS 202 N -0.28 3.24 -0.64 2.72 1.02 -0.34 -4.99 119.74 120.47 3cff s LYS 202 Ca 0.02 -0.76 -0.24 0.00 0.02 0.00 0.00 55.97 55.02 3cff s LYS 202 Cb -0.10 -2.56 0.05 0.00 -0.52 0.00 0.00 37.83 34.71 3cff s LYS 202 CO 0.01 0.12 1.01 -2.00 -0.92 0.00 0.00 175.35 173.58 3cff s GLU 203 N 0.55 3.19 -0.02 1.68 2.12 -1.26 -1.25 118.70 123.71 3cff s GLU 203 Ca -0.10 -0.55 -0.23 0.00 0.36 0.00 0.00 54.97 54.45 3cff s GLU 203 Cb -0.16 -4.17 -0.16 0.00 0.26 0.00 0.00 34.13 29.90 3cff s GLU 203 CO 0.04 -1.77 1.04 0.28 -0.54 0.00 0.00 175.26 174.31 3cff h VAL 204 N 6.00 0.76 -3.74 3.70 2.07 -1.37 -3.44 116.25 120.23 3cff h VAL 204 Ca -0.28 -0.86 -0.50 0.00 0.82 0.00 0.00 66.70 65.88 3cff h VAL 204 Cb 1.07 1.19 -0.32 0.00 -1.52 0.00 0.00 31.29 31.71 3cff h VAL 204 CO 1.17 0.16 -0.81 -1.58 0.02 0.00 0.00 177.57 176.53 3cff s GLN 205 N -4.01 1.43 -0.49 1.57 0.74 -0.74 -4.96 119.66 113.21 3cff s GLN 205 Ca -0.13 -0.43 -0.43 0.00 0.05 0.00 0.00 55.36 54.42 3cff s GLN 205 Cb 0.01 -1.25 -0.18 0.00 1.10 0.00 0.00 33.01 32.68 3cff s GLN 205 CO 0.50 0.13 2.08 1.17 -0.55 0.00 0.00 175.29 178.62 3cff n LYS 206 N 3.39 0.00 -1.57 1.67 4.81 -1.26 -1.39 118.16 123.81 3cff n LYS 206 Ca -0.20 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.05 3cff n LYS 206 Cb 0.53 -1.46 -0.08 0.00 0.02 0.00 0.00 35.03 34.04 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 7.28 1.87 1.38 3.14 0.00 -1.26 -4.71 105.19 112.89 3cff n GLY 207 Ca 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 -2.21 0.00 -4.94 1.61 5.02 -0.49 -5.09 118.16 112.06 3cff n LYS 208 Ca -0.20 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.81 3cff n LYS 208 Cb 0.67 -0.21 -0.17 0.00 -0.02 0.00 0.00 35.03 35.30 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 -1.81 2.03 0.05 2.13 3.76 -0.83 -4.96 115.29 115.66 3cff s HIS 209 Ca 0.00 -0.75 0.02 0.00 -0.15 0.00 0.00 55.06 54.17 3cff s HIS 209 Cb 0.00 -1.39 -0.03 0.00 1.11 0.00 0.00 32.58 32.27 3cff s HIS 209 CO 0.00 -0.31 -0.07 0.71 -0.85 0.00 0.00 174.74 174.22 3cff s TYR 210 N 0.36 0.67 -0.04 1.40 2.02 -1.26 -0.90 117.35 119.61 3cff s TYR 210 Ca -0.14 -0.59 0.06 0.00 -0.37 0.00 0.00 57.07 56.03 3cff s TYR 210 Cb -0.16 -0.41 -0.02 0.00 -0.40 0.00 0.00 41.96 40.98 3cff s TYR 210 CO 0.06 -0.11 -0.22 -1.21 -1.57 0.00 0.00 175.55 172.49 3cff s GLU 211 N -2.04 2.34 -0.06 -0.62 2.02 -0.38 -4.90 118.70 115.07 3cff s GLU 211 Ca -0.06 -0.86 0.01 0.00 0.02 0.00 0.00 54.97 54.09 3cff s GLU 211 Cb -0.07 -2.17 0.02 0.00 0.10 0.00 0.00 34.13 32.01 3cff s GLU 211 CO -0.01 0.53 -0.07 -1.14 0.02 0.00 0.00 175.26 174.59 3cff s GLN 212 N -0.52 1.21 -0.05 1.61 0.74 -1.26 -1.19 119.66 120.19 3cff s GLN 212 Ca 0.07 -0.22 0.02 0.00 0.05 0.00 0.00 55.36 55.28 3cff s GLN 212 Cb -0.11 -1.12 -0.03 0.00 1.10 0.00 0.00 33.01 32.85 3cff s GLN 212 CO 0.01 -0.06 -0.10 -0.47 -0.55 0.00 0.00 175.29 174.11 3cff s TYR 213 N 0.93 2.83 -0.01 1.67 5.04 0.28 -4.98 117.35 123.11 3cff s TYR 213 Ca -0.10 -0.06 -0.01 0.00 -2.44 0.00 0.00 57.07 54.45 3cff s TYR 213 Cb -0.15 -1.66 0.00 0.00 0.35 0.00 0.00 41.96 40.50 3cff s TYR 213 CO 0.01 0.27 0.03 -2.00 -1.34 0.00 0.00 175.55 172.52 3cff s GLU 214 N -0.83 0.03 0.02 4.97 2.12 -1.26 -0.64 118.70 123.12 3cff s GLU 214 Ca 0.12 0.05 0.09 0.00 0.36 0.00 0.00 54.97 55.59 3cff s GLU 214 Cb -0.11 0.00 -0.03 0.00 0.26 0.00 0.00 34.13 34.26 3cff s GLU 214 CO 0.01 -0.01 -0.26 0.00 -0.54 0.00 0.00 175.26 174.46 3cff s ALA 215 N 0.06 2.23 -0.11 6.30 0.00 -0.82 -4.98 121.76 124.44 3cff s ALA 215 Ca -0.00 -1.22 -0.06 0.00 0.00 0.00 0.00 51.96 50.67 3cff s ALA 215 Cb -0.01 -0.51 0.04 0.00 0.00 0.00 0.00 23.12 22.65 3cff s ALA 215 CO -0.00 0.53 0.27 0.00 0.00 0.00 0.00 175.76 176.56 3cff s ALA 216 N -0.74 -0.63 -0.03 0.00 0.00 -1.26 -1.49 121.76 117.60 3cff s ALA 216 Ca 0.11 1.01 0.04 0.00 0.00 0.00 0.00 51.96 53.12 3cff s ALA 216 Cb -0.10 -0.63 -0.00 0.00 0.00 0.00 0.00 23.12 22.39 3cff s ALA 216 CO 0.01 -0.19 -0.15 0.08 0.00 0.00 0.00 175.76 175.51 3cff s VAL 217 N 1.06 1.22 -0.18 0.00 1.01 -0.71 -1.54 120.40 121.28 3cff s VAL 217 Ca -0.08 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 3cff s VAL 217 Cb -0.09 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3cff s VAL 217 CO -0.07 0.36 0.05 0.00 0.00 0.00 0.00 175.10 175.44 3cff s ALA 218 N 0.02 3.38 0.21 5.51 0.00 0.81 -0.63 121.76 131.07 3cff s ALA 218 Ca -0.02 -0.75 -0.14 0.00 0.00 0.00 0.00 51.96 51.05 3cff s ALA 218 Cb -0.10 -1.88 0.01 0.00 0.00 0.00 0.00 23.12 21.15 3cff s ALA 218 CO 0.01 0.20 0.45 -0.98 0.00 0.00 0.00 175.76 175.45 3cff s ARG 219 N 0.31 1.39 0.00 0.00 1.70 -0.19 -1.70 118.95 120.46 3cff s ARG 219 Ca 0.03 -1.08 0.00 0.00 -0.47 0.00 0.00 55.73 54.21 3cff s ARG 219 Cb -0.12 0.47 0.00 0.00 -0.57 0.00 0.00 34.95 34.72 3cff s ARG 219 CO 0.00 -0.57 0.00 0.66 -1.08 0.00 0.00 175.30 174.31 3cff n TYR 220 N -0.33 0.00 0.00 5.89 4.01 -1.26 -1.26 117.16 124.22 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 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 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 -0.28 7.72 10.43 -1.26 -4.94 116.55 128.22 3cff n ASP 222 Ca 0.00 0.00 -0.06 0.00 2.57 0.00 0.00 54.79 57.30 3cff n ASP 222 Cb 0.00 0.00 0.06 0.00 1.84 0.00 0.00 41.12 43.02 3cff n ASP 222 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3cff h ALA 223 N 0.00 1.00 -3.40 2.24 0.00 -2.04 -3.36 119.26 113.70 3cff h ALA 223 Ca 0.00 -0.21 -0.67 0.00 0.00 0.00 0.00 54.91 54.03 3cff h ALA 223 Cb 0.00 -0.30 -0.38 0.00 0.00 0.00 0.00 17.79 17.11 3cff h ALA 223 CO 0.00 0.65 -0.60 0.00 0.00 0.00 0.00 179.25 179.30 3cff s ALA 224 N -5.50 3.15 0.63 0.00 0.00 -1.26 -5.11 121.76 113.68 3cff s ALA 224 Ca -0.12 -2.79 -0.15 0.00 0.00 0.00 0.00 51.96 48.90 3cff s ALA 224 Cb 0.15 -2.23 -0.01 0.00 0.00 0.00 0.00 23.12 21.03 3cff s ALA 224 CO 0.84 -1.84 1.09 -1.25 0.00 0.00 0.00 175.76 174.60 3cff s PRO 225 N 0.60 3.00 0.37 0.00 0.04 -1.26 -5.05 135.00 132.71 3cff s PRO 225 Ca 0.12 1.33 -0.13 0.00 0.04 0.00 0.00 61.00 62.36 3cff s PRO 225 Cb -0.22 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.27 3cff s PRO 225 CO -0.05 -1.08 0.76 0.45 0.04 0.00 0.00 177.00 177.12 3cff s SER 226 N -2.64 6.64 0.00 6.66 0.15 -1.26 -4.99 113.70 118.26 3cff s SER 226 Ca 0.66 1.21 0.19 0.00 0.70 0.00 0.00 55.95 58.71 3cff s SER 226 Cb -0.19 -2.35 -0.10 0.00 -1.71 0.00 0.00 66.02 61.67 3cff s SER 226 CO 0.39 -0.31 0.90 0.29 1.20 0.00 0.00 173.24 175.71 3cff n LYS 227 N -0.87 1.14 -0.22 5.44 5.02 -1.26 -4.52 118.16 122.89 3cff n LYS 227 Ca 0.03 -0.50 0.07 0.00 -2.02 0.00 0.00 58.31 55.89 3cff n LYS 227 Cb 0.54 -1.39 0.16 0.00 -0.02 0.00 0.00 35.03 34.32 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 -0.70 3.00 -1.02 -0.35 4.77 -1.26 -4.98 117.00 116.46 3cff n LEU 228 Ca 0.06 -2.56 -0.11 0.00 -0.03 0.00 0.00 56.01 53.37 3cff n LEU 228 Cb 0.36 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 3cff n LEU 228 CO 0.31 0.67 -0.12 0.61 -1.33 0.00 0.00 177.39 177.53 3cff n GLY 229 N -0.38 0.57 3.89 -0.72 0.00 -1.26 -5.03 105.19 102.27 3cff n GLY 229 Ca 0.14 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.47 3.51 -2.00 1.61 3.76 -1.26 -5.10 115.29 113.33 3cff s HIS 230 Ca 0.00 0.91 0.12 0.00 -0.15 0.00 0.00 55.06 55.94 3cff s HIS 230 Cb 0.00 -2.35 0.74 0.00 1.11 0.00 0.00 32.58 32.08 3cff s HIS 230 CO 0.00 -0.13 1.17 0.72 -0.85 0.00 0.00 174.74 175.65