#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a54 n LYS 67 N 0.00 0.41 0.28 -1.46 4.76 -1.26 -2.67 118.16 118.22 2a54 n LYS 67 Ca 0.00 0.03 0.15 0.00 -2.87 0.00 0.00 58.31 55.62 2a54 n LYS 67 Cb 0.00 -1.50 0.82 0.00 -1.84 0.00 0.00 35.03 32.51 2a54 n LYS 67 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2a54 h THR 68 N 0.00 0.37 -3.13 -0.18 2.02 -2.03 -3.36 112.91 106.60 2a54 h THR 68 Ca 0.00 -0.40 -0.78 0.00 0.77 0.00 0.00 66.41 66.00 2a54 h THR 68 Cb 0.24 1.29 -0.30 0.00 -1.74 0.00 0.00 68.15 67.64 2a54 h THR 68 CO 0.00 0.07 0.48 0.49 0.37 0.00 0.00 175.52 176.93 2a54 n PHE 69 N -3.46 3.63 -4.51 3.16 3.01 -1.09 -4.85 117.46 113.35 2a54 n PHE 69 Ca -0.02 -3.33 -0.21 0.00 1.01 0.00 0.00 57.45 54.90 2a54 n PHE 69 Cb 0.21 -1.35 -0.15 0.00 -0.01 0.00 0.00 39.48 38.17 2a54 n PHE 69 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2a54 s ILE 70 N -2.10 0.94 -0.47 4.37 1.01 -1.26 -4.38 121.20 119.31 2a54 s ILE 70 Ca 0.31 -0.47 -0.21 0.00 0.00 0.00 0.00 60.65 60.29 2a54 s ILE 70 Cb -0.01 -0.82 0.04 0.00 0.01 0.00 0.00 42.46 41.68 2a54 s ILE 70 CO 0.01 0.28 0.68 -0.75 0.00 0.00 0.00 174.94 175.16 2a54 s LYS 71 N 0.01 3.25 -0.15 2.79 2.20 -0.66 -4.93 119.74 122.25 2a54 s LYS 71 Ca -0.01 -0.48 -0.17 0.00 -0.36 0.00 0.00 55.97 54.95 2a54 s LYS 71 Cb -0.08 -4.00 -0.04 0.00 -1.51 0.00 0.00 37.83 32.20 2a54 s LYS 71 CO 0.00 -1.13 0.42 0.71 -0.36 0.00 0.00 175.35 175.00 2a54 s TYR 72 N 2.94 3.46 0.46 4.03 2.02 -1.26 -0.80 117.35 128.19 2a54 s TYR 72 Ca 0.22 0.76 0.06 0.00 -0.37 0.00 0.00 57.07 57.74 2a54 s TYR 72 Cb -0.15 -2.51 -0.02 0.00 -0.40 0.00 0.00 41.96 38.88 2a54 s TYR 72 CO 0.17 0.12 0.24 0.14 -1.57 0.00 0.00 175.55 174.66 2a54 s VAL 73 N 0.84 2.03 -1.89 0.71 -7.23 -0.36 -4.73 120.40 109.77 2a54 s VAL 73 Ca 0.22 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 2a54 s VAL 73 Cb -0.15 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 34.13 2a54 s VAL 73 CO 0.08 0.00 0.00 -1.20 -0.31 0.00 0.00 175.10 173.67 2a54 n SER 74 N -1.42 -5.51 -0.25 4.85 7.64 -1.26 -2.16 113.62 115.51 2a54 n SER 74 Ca -0.03 0.22 -0.03 0.00 1.01 0.00 0.00 58.87 60.04 2a54 n SER 74 Cb 0.64 -4.72 -0.01 0.00 -1.01 0.00 0.00 64.21 59.11 2a54 n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a54 n GLY 75 N -0.72 0.59 3.68 0.23 0.00 -1.26 -4.98 105.19 102.73 2a54 n GLY 75 Ca -0.22 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 2a54 n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a54 s ILE 76 N -1.90 3.35 0.64 -0.61 1.01 -0.92 -4.95 121.20 117.82 2a54 s ILE 76 Ca 0.00 0.70 -0.18 0.00 0.00 0.00 0.00 60.65 61.17 2a54 s ILE 76 Cb 0.00 -3.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.00 2a54 s ILE 76 CO 0.00 -0.02 1.27 -2.65 0.00 0.00 0.00 174.94 173.55 2a54 n PRO 77 N 5.91 1.15 -3.57 2.79 -0.02 -1.26 -4.78 135.00 135.21 2a54 n PRO 77 Ca 0.15 0.45 -0.40 0.00 -2.02 0.00 0.00 63.50 61.68 2a54 n PRO 77 Cb 0.42 -2.51 -0.08 0.00 -0.02 0.00 0.00 33.50 31.31 2a54 n PRO 77 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2a54 s ASP 78 N -1.32 5.74 0.38 2.55 -1.08 -1.26 -4.54 116.67 117.13 2a54 s ASP 78 Ca 0.81 -2.36 0.05 0.00 -0.52 0.00 0.00 52.55 50.54 2a54 s ASP 78 Cb -0.39 -1.99 0.74 0.00 -1.46 0.00 0.00 42.92 39.82 2a54 s ASP 78 CO 0.42 -0.56 1.99 0.22 0.52 0.00 0.00 175.17 177.75 2a54 h TYR 79 N 7.87 0.57 0.06 -5.34 3.20 -1.93 -2.01 116.97 119.38 2a54 h TYR 79 Ca -0.09 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.77 2a54 h TYR 79 Cb 1.03 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.12 2a54 h TYR 79 CO 0.73 0.42 -0.03 0.74 -1.64 0.00 0.00 178.16 178.39 2a54 h PHE 80 N 0.58 -0.07 -0.16 -3.82 -1.00 -1.92 -3.08 116.94 107.47 2a54 h PHE 80 Ca 0.15 -0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.88 2a54 h PHE 80 Cb 0.07 0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 2a54 h PHE 80 CO 0.00 0.51 -0.09 0.87 -1.61 0.00 0.00 178.31 177.99 2a54 h LYS 81 N -0.75 0.25 0.00 1.51 1.57 -1.87 -1.70 116.57 115.57 2a54 h LYS 81 Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2a54 h LYS 81 Cb 0.61 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2a54 h LYS 81 CO 0.01 0.35 0.00 1.96 -0.57 0.00 0.00 179.45 181.20 2a54 h GLN 82 N 0.24 0.00 -0.00 3.15 4.20 -1.38 -3.12 115.11 118.20 2a54 h GLN 82 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2a54 h GLN 82 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2a54 h GLN 82 CO 0.02 0.00 -0.05 0.43 -0.67 0.00 0.00 178.83 178.55 2a54 n SER 83 N -2.93 0.06 -4.87 1.46 7.64 -0.64 -4.86 113.62 109.48 2a54 n SER 83 Ca -0.01 0.39 -0.30 0.00 1.01 0.00 0.00 58.87 59.96 2a54 n SER 83 Cb 0.20 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 62.96 2a54 n SER 83 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2a54 s PHE 84 N -2.98 3.47 -0.91 1.43 0.40 -1.18 -0.90 117.98 117.31 2a54 s PHE 84 Ca 0.14 1.05 0.25 0.00 -0.60 0.00 0.00 56.93 57.77 2a54 s PHE 84 Cb 0.19 -2.44 1.01 0.00 0.51 0.00 0.00 43.02 42.29 2a54 s PHE 84 CO 0.54 -0.12 1.79 -0.35 0.70 0.00 0.00 175.22 177.79 2a54 n PRO 85 N -1.33 0.06 0.03 0.24 -0.04 -1.26 -4.87 135.00 127.84 2a54 n PRO 85 Ca 0.02 0.12 -0.13 0.00 -0.04 0.00 0.00 63.50 63.48 2a54 n PRO 85 Cb 0.54 -1.58 -0.09 0.00 -0.04 0.00 0.00 33.50 32.33 2a54 n PRO 85 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2a54 h GLU 86 N 0.00 -0.06 0.00 0.54 3.07 -1.91 -3.37 114.58 112.86 2a54 h GLU 86 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2a54 h GLU 86 Cb 0.48 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 2a54 h GLU 86 CO 0.00 0.25 0.00 0.41 -1.40 0.00 0.00 179.01 178.27 2a54 n GLY 87 N -0.29 -0.51 3.73 -3.84 0.00 -0.07 -4.46 105.19 99.74 2a54 n GLY 87 Ca -0.08 -2.09 -0.07 0.00 0.00 0.00 0.00 46.02 43.77 2a54 n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2a54 s PHE 88 N 0.00 -0.26 0.30 1.61 -0.71 -0.97 -1.45 117.98 116.51 2a54 s PHE 88 Ca 0.00 -0.10 0.08 0.00 -1.04 0.00 0.00 56.93 55.87 2a54 s PHE 88 Cb 0.00 0.65 -0.06 0.00 -1.21 0.00 0.00 43.02 42.40 2a54 s PHE 88 CO 0.00 -1.02 -0.08 0.95 -1.34 0.00 0.00 175.22 173.73 2a54 s THR 89 N -3.69 1.85 0.08 -4.49 -4.23 -0.28 -0.45 115.64 104.43 2a54 s THR 89 Ca 0.09 -2.16 -0.06 0.00 -1.18 0.00 0.00 61.69 58.37 2a54 s THR 89 Cb -0.04 -2.49 -0.01 0.00 1.34 0.00 0.00 72.50 71.30 2a54 s THR 89 CO 0.01 -0.28 0.13 -1.66 -0.54 0.00 0.00 174.62 172.27 2a54 s TRP 90 N -2.87 0.25 -0.07 3.99 1.48 -0.55 -0.54 118.94 120.63 2a54 s TRP 90 Ca 0.30 -0.71 -0.06 0.00 -1.06 0.00 0.00 56.10 54.57 2a54 s TRP 90 Cb 0.03 -0.15 0.02 0.00 -1.16 0.00 0.00 33.47 32.21 2a54 s TRP 90 CO 0.13 -0.49 0.18 -1.83 -4.06 0.00 0.00 176.95 170.88 2a54 s GLU 91 N -3.83 0.21 -0.14 3.25 -1.05 -0.58 -0.58 118.70 115.97 2a54 s GLU 91 Ca 0.05 0.26 -0.16 0.00 -0.15 0.00 0.00 54.97 54.97 2a54 s GLU 91 Cb 0.05 0.10 0.04 0.00 -0.44 0.00 0.00 34.13 33.89 2a54 s GLU 91 CO -0.10 -0.03 0.44 0.50 0.95 0.00 0.00 175.26 177.02 2a54 s ARG 92 N 0.11 0.55 -0.12 -4.83 3.52 -0.43 -1.19 118.95 116.55 2a54 s ARG 92 Ca -0.00 0.51 0.03 0.00 -0.13 0.00 0.00 55.73 56.14 2a54 s ARG 92 Cb -0.01 0.27 0.01 0.00 -1.56 0.00 0.00 34.95 33.65 2a54 s ARG 92 CO 0.00 -0.09 -0.23 0.99 -0.81 0.00 0.00 175.30 175.17 2a54 s THR 93 N 0.01 2.06 -0.24 4.11 2.01 -0.68 -0.90 115.64 122.00 2a54 s THR 93 Ca -0.02 -1.00 -0.07 0.00 0.31 0.00 0.00 61.69 60.91 2a54 s THR 93 Cb -0.03 -1.80 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 2a54 s THR 93 CO 0.01 0.55 0.06 -0.89 -0.69 0.00 0.00 174.62 173.67 2a54 s THR 94 N 0.59 4.30 -0.20 -0.82 2.01 0.22 -1.25 115.64 120.50 2a54 s THR 94 Ca -0.13 -0.18 -0.08 0.00 0.31 0.00 0.00 61.69 61.61 2a54 s THR 94 Cb -0.17 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 2a54 s THR 94 CO 0.03 0.36 0.08 0.42 -0.69 0.00 0.00 174.62 174.82 2a54 s THR 95 N 1.43 4.88 0.12 -0.82 -4.23 -0.20 -1.16 115.64 115.65 2a54 s THR 95 Ca 0.05 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.50 2a54 s THR 95 Cb -0.15 -3.22 -0.06 0.00 1.34 0.00 0.00 72.50 70.42 2a54 s THR 95 CO 0.03 0.44 0.39 -0.31 -0.54 0.00 0.00 174.62 174.63 2a54 s TYR 96 N 0.53 3.51 0.36 3.99 1.51 0.10 -0.48 117.35 126.87 2a54 s TYR 96 Ca 0.04 0.66 0.33 0.00 -1.01 0.00 0.00 57.07 57.09 2a54 s TYR 96 Cb -0.13 -2.07 1.63 0.00 -0.11 0.00 0.00 41.96 41.28 2a54 s TYR 96 CO 0.01 0.46 2.10 1.05 -1.11 0.00 0.00 175.55 178.06 2a54 h GLU 97 N 3.17 0.00 -0.65 -0.62 4.11 -1.52 -1.58 114.58 117.48 2a54 h GLU 97 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2a54 h GLU 97 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2a54 h GLU 97 CO 0.70 0.06 0.00 -0.40 0.07 0.00 0.00 179.01 179.44 2a54 n ASP 98 N -3.31 4.65 0.00 3.06 5.75 -1.26 -4.95 116.55 120.48 2a54 n ASP 98 Ca -0.01 -2.46 0.00 0.00 -0.01 0.00 0.00 54.79 52.30 2a54 n ASP 98 Cb 0.23 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 2a54 n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2a54 n GLY 99 N 1.07 1.43 3.75 6.12 0.00 -0.59 -4.51 105.19 112.45 2a54 n GLY 99 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 2a54 n GLY 99 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a54 s GLY 100 N -2.21 2.79 -0.02 -0.02 0.00 -1.19 -4.61 107.32 102.06 2a54 s GLY 100 Ca 0.00 1.09 0.04 0.00 0.00 0.00 0.00 44.72 45.85 2a54 s GLY 100 CO 0.00 1.50 -0.15 -1.36 0.00 0.00 0.00 173.10 173.10 2a54 s PHE 101 N -1.51 1.38 -0.17 1.90 0.40 -0.02 -0.72 117.98 119.24 2a54 s PHE 101 Ca 0.78 -0.29 -0.01 0.00 -0.60 0.00 0.00 56.93 56.80 2a54 s PHE 101 Cb -0.33 -0.90 0.05 0.00 0.51 0.00 0.00 43.02 42.35 2a54 s PHE 101 CO 0.36 -0.05 -0.02 -1.17 0.70 0.00 0.00 175.22 175.04 2a54 s LEU 102 N -0.24 1.43 -0.05 -0.37 1.98 -0.31 -1.06 118.68 120.06 2a54 s LEU 102 Ca 0.04 -0.67 0.02 0.00 -2.89 0.00 0.00 54.13 50.62 2a54 s LEU 102 Cb -0.07 -0.78 -0.03 0.00 0.66 0.00 0.00 46.19 45.97 2a54 s LEU 102 CO -0.00 -0.23 -0.07 -0.89 -1.89 0.00 0.00 176.35 173.27 2a54 s THR 103 N 1.73 3.66 0.01 3.68 2.01 0.18 -0.61 115.64 126.29 2a54 s THR 103 Ca 0.00 -0.57 -0.09 0.00 0.31 0.00 0.00 61.69 61.35 2a54 s THR 103 Cb -0.16 -2.52 0.00 0.00 0.01 0.00 0.00 72.50 69.84 2a54 s THR 103 CO -0.07 0.54 0.17 0.00 -0.69 0.00 0.00 174.62 174.57 2a54 s ALA 104 N -0.86 -0.37 -0.01 7.40 0.00 -0.08 -0.96 121.76 126.87 2a54 s ALA 104 Ca 0.14 -0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.02 2a54 s ALA 104 Cb -0.11 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 2a54 s ALA 104 CO 0.03 -0.25 -0.15 -1.58 0.00 0.00 0.00 175.76 173.82 2a54 s HIS 105 N -1.64 1.35 0.01 0.00 2.46 -0.57 -1.32 115.29 115.59 2a54 s HIS 105 Ca -0.13 -0.27 0.00 0.00 0.47 0.00 0.00 55.06 55.13 2a54 s HIS 105 Cb -0.06 -0.88 -0.01 0.00 -0.13 0.00 0.00 32.58 31.51 2a54 s HIS 105 CO 0.01 -0.04 -0.01 -1.14 -2.47 0.00 0.00 174.74 171.09 2a54 s GLN 106 N -0.29 0.11 -0.13 2.88 -0.44 0.25 -1.31 119.66 120.74 2a54 s GLN 106 Ca 0.04 -0.18 -0.02 0.00 -2.50 0.00 0.00 55.36 52.71 2a54 s GLN 106 Cb -0.06 -0.00 -0.03 0.00 -1.64 0.00 0.00 33.01 31.28 2a54 s GLN 106 CO -0.00 -0.00 -0.06 0.34 0.50 0.00 0.00 175.29 176.06 2a54 s ASP 107 N -0.40 4.59 -0.18 6.67 -1.08 -0.59 -1.48 116.67 124.20 2a54 s ASP 107 Ca -0.04 -0.15 -0.02 0.00 -0.52 0.00 0.00 52.55 51.82 2a54 s ASP 107 Cb -0.03 -1.62 -0.01 0.00 -1.46 0.00 0.00 42.92 39.80 2a54 s ASP 107 CO -0.00 0.21 -0.08 -0.89 0.52 0.00 0.00 175.17 174.92 2a54 s THR 108 N 0.12 3.21 0.17 1.71 2.01 0.40 -1.57 115.64 121.69 2a54 s THR 108 Ca -0.02 -0.57 0.04 0.00 0.31 0.00 0.00 61.69 61.44 2a54 s THR 108 Cb -0.14 -2.41 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 2a54 s THR 108 CO 0.03 0.47 -0.05 -0.94 -0.69 0.00 0.00 174.62 173.44 2a54 s SER 109 N 1.03 1.68 -0.20 3.53 1.04 -0.17 -2.28 113.70 118.33 2a54 s SER 109 Ca -0.00 -1.10 -0.01 0.00 0.48 0.00 0.00 55.95 55.32 2a54 s SER 109 Cb -0.15 0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.01 2a54 s SER 109 CO -0.01 -0.43 -0.15 -0.22 0.98 0.00 0.00 173.24 173.42 2a54 s LEU 110 N -3.20 2.42 -0.49 2.42 2.96 -1.26 0.26 118.68 121.78 2a54 s LEU 110 Ca 0.21 -0.58 -0.05 0.00 -0.22 0.00 0.00 54.13 53.49 2a54 s LEU 110 Cb 0.04 -1.57 0.13 0.00 0.50 0.00 0.00 46.19 45.29 2a54 s LEU 110 CO 0.03 -0.01 0.32 -0.62 -1.32 0.00 0.00 176.35 174.75 2a54 s ASP 111 N 1.35 5.44 1.63 3.68 3.68 0.22 -4.94 116.67 127.72 2a54 s ASP 111 Ca 0.05 -2.22 0.00 0.00 2.13 0.00 0.00 52.55 52.51 2a54 s ASP 111 Cb -0.14 -1.90 0.00 0.00 -1.45 0.00 0.00 42.92 39.43 2a54 s ASP 111 CO -0.10 -0.55 0.00 0.61 0.13 0.00 0.00 175.17 175.27 2a54 n GLY 112 N 4.40 1.14 0.64 2.66 0.00 -1.26 -1.36 105.19 111.42 2a54 n GLY 112 Ca -0.01 0.38 0.08 0.00 0.00 0.00 0.00 46.02 46.48 2a54 n GLY 112 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2a54 n ASP 113 N 10.78 2.33 -4.43 1.61 10.43 -1.26 -4.98 116.55 131.03 2a54 n ASP 113 Ca 0.00 -1.67 -0.34 0.00 2.57 0.00 0.00 54.79 55.36 2a54 n ASP 113 Cb 0.00 0.02 -0.13 0.00 1.84 0.00 0.00 41.12 42.85 2a54 n ASP 113 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2a54 s LEU 115 N 0.60 4.22 -0.08 0.00 1.43 -1.26 -0.61 118.68 122.98 2a54 s LEU 115 Ca -0.04 2.17 0.01 0.00 -1.03 0.00 0.00 54.13 55.24 2a54 s LEU 115 Cb -0.15 -4.05 0.02 0.00 0.03 0.00 0.00 46.19 42.04 2a54 s LEU 115 CO 0.03 -0.50 -0.09 -0.69 0.23 0.00 0.00 176.35 175.33 2a54 s VAL 116 N -1.50 0.96 -0.10 -1.59 1.01 0.14 -4.90 120.40 114.42 2a54 s VAL 116 Ca 0.56 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.22 2a54 s VAL 116 Cb -0.26 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 2a54 s VAL 116 CO 0.33 0.33 -0.11 -0.31 0.00 0.00 0.00 175.10 175.35 2a54 s TYR 117 N 1.15 2.84 -0.16 5.22 2.02 -1.26 -1.00 117.35 126.15 2a54 s TYR 117 Ca -0.06 -0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.35 2a54 s TYR 117 Cb -0.14 -1.77 0.03 0.00 -0.40 0.00 0.00 41.96 39.68 2a54 s TYR 117 CO -0.02 0.06 -0.13 0.15 -1.57 0.00 0.00 175.55 174.04 2a54 s LYS 118 N -0.23 2.20 -0.06 -0.62 3.01 -0.61 -4.99 119.74 118.44 2a54 s LYS 118 Ca 0.02 -0.61 0.05 0.00 -1.01 0.00 0.00 55.97 54.42 2a54 s LYS 118 Cb -0.13 -2.15 -0.00 0.00 -1.01 0.00 0.00 37.83 34.53 2a54 s LYS 118 CO 0.03 -0.28 -0.20 0.08 0.51 0.00 0.00 175.35 175.48 2a54 s VAL 119 N 1.48 1.71 -0.09 3.17 1.01 -1.26 -1.55 120.40 124.88 2a54 s VAL 119 Ca 0.04 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.18 2a54 s VAL 119 Cb -0.14 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 2a54 s VAL 119 CO -0.10 0.48 -0.15 -0.54 0.00 0.00 0.00 175.10 174.79 2a54 s LYS 120 N 0.11 2.92 -0.03 2.72 1.02 -0.42 -5.00 119.74 121.05 2a54 s LYS 120 Ca -0.08 -0.72 0.03 0.00 0.02 0.00 0.00 55.97 55.22 2a54 s LYS 120 Cb -0.14 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.71 2a54 s LYS 120 CO 0.04 0.40 -0.11 0.42 -0.92 0.00 0.00 175.35 175.19 2a54 s ILE 121 N -0.16 0.92 -0.11 2.17 1.01 -1.26 -1.50 121.20 122.26 2a54 s ILE 121 Ca -0.01 -0.43 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 2a54 s ILE 121 Cb -0.13 -0.82 0.03 0.00 0.01 0.00 0.00 42.46 41.55 2a54 s ILE 121 CO 0.03 0.28 -0.02 -0.76 0.00 0.00 0.00 174.94 174.48 2a54 s LEU 122 N 0.21 0.91 0.07 2.97 1.43 -0.13 -5.02 118.68 119.12 2a54 s LEU 122 Ca -0.04 -0.30 0.08 0.00 -1.03 0.00 0.00 54.13 52.84 2a54 s LEU 122 Cb -0.10 -0.60 -0.03 0.00 0.03 0.00 0.00 46.19 45.49 2a54 s LEU 122 CO 0.01 -0.19 -0.22 -0.83 0.23 0.00 0.00 176.35 175.35 2a54 s GLY 123 N 1.86 1.24 0.23 -3.19 0.00 -1.26 -0.65 107.32 105.55 2a54 s GLY 123 Ca 0.04 -1.19 -0.22 0.00 0.00 0.00 0.00 44.72 43.35 2a54 s GLY 123 CO -0.07 -1.14 0.71 0.54 0.00 0.00 0.00 173.10 173.15 2a54 s ASN 124 N -1.50 -0.34 -0.67 1.64 2.20 -0.22 -4.96 114.94 111.08 2a54 s ASN 124 Ca 0.08 -0.40 0.00 0.00 -0.94 0.00 0.00 52.86 51.60 2a54 s ASN 124 Cb -0.09 0.66 0.00 0.00 -2.00 0.00 0.00 41.25 39.82 2a54 s ASN 124 CO 0.03 -1.18 0.00 0.59 -2.94 0.00 0.00 177.10 173.60 2a54 n ASN 125 N -0.43 -4.75 -4.71 3.54 3.02 -1.26 -0.84 115.26 109.83 2a54 n ASN 125 Ca -0.08 0.16 -0.42 0.00 -0.03 0.00 0.00 54.58 54.21 2a54 n ASN 125 Cb 0.61 -2.81 -0.03 0.00 -0.61 0.00 0.00 39.78 36.94 2a54 n ASN 125 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2a54 s PHE 126 N -1.91 3.28 0.30 3.10 0.08 -1.26 -3.16 117.98 118.40 2a54 s PHE 126 Ca 0.00 1.08 -0.29 0.00 0.12 0.00 0.00 56.93 57.84 2a54 s PHE 126 Cb 0.00 -3.57 -0.10 0.00 -0.57 0.00 0.00 43.02 38.78 2a54 s PHE 126 CO 0.00 -1.94 1.32 -1.25 -0.10 0.00 0.00 175.22 173.25 2a54 s PRO 127 N 1.24 4.36 0.49 0.24 0.04 -1.26 -4.90 135.00 135.21 2a54 s PRO 127 Ca 0.62 2.18 0.16 0.00 0.04 0.00 0.00 61.00 64.00 2a54 s PRO 127 Cb -0.33 -3.10 1.18 0.00 0.04 0.00 0.00 34.50 32.29 2a54 s PRO 127 CO 0.29 -0.21 2.09 0.00 0.04 0.00 0.00 177.00 179.21 2a54 h ALA 128 N 3.96 2.03 -0.25 8.56 0.00 -1.97 -2.18 119.26 129.42 2a54 h ALA 128 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2a54 h ALA 128 Cb 1.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2a54 h ALA 128 CO 0.69 -0.07 0.00 -0.40 0.00 0.00 0.00 179.25 179.47 2a54 n ASP 129 N -4.49 2.02 -4.93 0.00 3.85 -1.26 -4.28 116.55 107.46 2a54 n ASP 129 Ca 0.02 -1.81 -0.25 0.00 -0.71 0.00 0.00 54.79 52.03 2a54 n ASP 129 Cb 0.20 -0.16 0.03 0.00 -1.35 0.00 0.00 41.12 39.84 2a54 n ASP 129 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 2a54 s GLY 130 N -1.44 1.62 0.48 6.12 0.00 -0.82 -4.90 107.32 108.39 2a54 s GLY 130 Ca 0.32 -0.83 0.20 0.00 0.00 0.00 0.00 44.72 44.41 2a54 s GLY 130 CO 0.25 -0.57 1.98 -2.55 0.00 0.00 0.00 173.10 172.22 2a54 h PRO 131 N -0.07 0.19 0.18 2.90 0.11 -1.87 -0.97 132.00 132.46 2a54 h PRO 131 Ca -0.45 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2a54 h PRO 131 Cb 1.26 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2a54 h PRO 131 CO 0.59 0.13 -0.09 0.28 -0.21 0.00 0.00 178.00 178.70 2a54 h VAL 132 N 0.20 0.81 0.00 3.15 2.07 -1.88 0.49 116.25 121.08 2a54 h VAL 132 Ca 0.28 -1.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 2a54 h VAL 132 Cb 0.83 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 2a54 h VAL 132 CO -0.05 0.20 -0.17 0.24 0.02 0.00 0.00 177.57 177.81 2a54 h MET 133 N -0.85 0.00 -0.00 1.57 2.86 -1.72 -1.97 114.93 114.82 2a54 h MET 133 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2a54 h MET 133 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2a54 h MET 133 CO 0.04 0.17 -0.01 1.04 1.06 0.00 0.00 176.91 179.22 2a54 n GLN 134 N -3.30 0.39 -3.76 1.72 1.13 -0.39 -4.94 117.38 108.23 2a54 n GLN 134 Ca 0.01 -0.01 -0.25 0.00 -1.94 0.00 0.00 57.00 54.80 2a54 n GLN 134 Cb 0.42 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.29 2a54 n GLN 134 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2a54 n ASN 135 N -1.30 -2.35 -2.79 1.08 4.05 -0.74 -4.95 115.26 108.27 2a54 n ASN 135 Ca 0.13 -0.94 -0.16 0.00 0.45 0.00 0.00 54.58 54.07 2a54 n ASN 135 Cb 0.25 -3.57 0.00 0.00 1.23 0.00 0.00 39.78 37.69 2a54 n ASN 135 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2a54 n LYS 136 N -4.24 1.63 0.10 1.20 5.02 0.10 -4.96 118.16 117.01 2a54 n LYS 136 Ca -0.23 -3.61 0.12 0.00 -2.02 0.00 0.00 58.31 52.56 2a54 n LYS 136 Cb 0.65 -1.60 0.05 0.00 -0.02 0.00 0.00 35.03 34.11 2a54 n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2a54 h ALA 137 N 2.93 0.54 -0.26 7.82 0.00 -1.92 -3.40 119.26 124.97 2a54 h ALA 137 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2a54 h ALA 137 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2a54 h ALA 137 CO 0.58 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.24 2a54 n GLY 138 N 1.22 2.02 3.28 0.00 0.00 -1.26 -4.05 105.19 106.40 2a54 n GLY 138 Ca 0.01 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 2a54 n GLY 138 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2a54 s ARG 139 N 0.00 0.77 0.17 1.61 1.70 -0.96 -4.98 118.95 117.26 2a54 s ARG 139 Ca 0.00 -0.22 -0.30 0.00 -0.47 0.00 0.00 55.73 54.74 2a54 s ARG 139 Cb 0.00 0.35 -0.07 0.00 -0.57 0.00 0.00 34.95 34.65 2a54 s ARG 139 CO 0.00 -0.23 1.10 -1.58 -1.08 0.00 0.00 175.30 173.51 2a54 s TRP 140 N -1.69 3.59 0.82 5.89 0.52 -1.26 -0.37 118.94 126.44 2a54 s TRP 140 Ca -0.11 1.59 -0.11 0.00 0.02 0.00 0.00 56.10 57.49 2a54 s TRP 140 Cb -0.03 -3.27 0.09 0.00 -1.15 0.00 0.00 33.47 29.10 2a54 s TRP 140 CO 0.03 -0.61 1.13 -1.21 0.02 0.00 0.00 176.95 176.31 2a54 s GLU 141 N -0.28 1.76 0.83 4.98 0.41 -0.09 -4.82 118.70 121.50 2a54 s GLU 141 Ca 0.50 1.43 -0.11 0.00 -0.41 0.00 0.00 54.97 56.37 2a54 s GLU 141 Cb -0.29 -1.82 0.10 0.00 -1.78 0.00 0.00 34.13 30.33 2a54 s GLU 141 CO 0.34 -2.06 1.15 -1.25 -0.49 0.00 0.00 175.26 172.96 2a54 s PRO 142 N -4.60 1.61 0.12 0.39 0.04 -1.26 -4.70 135.00 126.60 2a54 s PRO 142 Ca 0.66 1.51 -0.03 0.00 0.04 0.00 0.00 61.00 63.18 2a54 s PRO 142 Cb -0.21 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 2a54 s PRO 142 CO 0.54 -2.19 0.09 -1.54 0.04 0.00 0.00 177.00 173.94 2a54 s SER 143 N -2.68 0.28 -0.13 6.66 1.04 -0.42 -4.85 113.70 113.60 2a54 s SER 143 Ca 0.67 -1.09 -0.01 0.00 0.48 0.00 0.00 55.95 56.00 2a54 s SER 143 Cb -0.23 0.31 0.04 0.00 0.10 0.00 0.00 66.02 66.24 2a54 s SER 143 CO 0.54 -0.74 -0.03 -0.89 0.98 0.00 0.00 173.24 173.10 2a54 s THR 144 N -4.01 0.83 -0.05 2.02 2.01 -1.26 -0.39 115.64 114.79 2a54 s THR 144 Ca 0.19 -0.35 -0.15 0.00 0.31 0.00 0.00 61.69 61.69 2a54 s THR 144 Cb 0.07 -1.01 -0.05 0.00 0.01 0.00 0.00 72.50 71.52 2a54 s THR 144 CO -0.01 0.17 0.40 -0.70 -0.69 0.00 0.00 174.62 173.79 2a54 s GLU 145 N 1.77 4.04 -0.01 4.92 2.12 0.17 -4.34 118.70 127.37 2a54 s GLU 145 Ca 0.03 0.36 -0.22 0.00 0.36 0.00 0.00 54.97 55.50 2a54 s GLU 145 Cb -0.14 -3.29 -0.05 0.00 0.26 0.00 0.00 34.13 30.91 2a54 s GLU 145 CO -0.07 0.52 0.64 0.96 -0.54 0.00 0.00 175.26 176.76 2a54 s ILE 146 N -0.50 4.92 -0.05 -3.70 -4.36 0.14 -0.39 121.20 117.25 2a54 s ILE 146 Ca 0.23 1.33 0.02 0.00 -0.26 0.00 0.00 60.65 61.97 2a54 s ILE 146 Cb -0.16 -3.98 0.02 0.00 1.25 0.00 0.00 42.46 39.59 2a54 s ILE 146 CO 0.11 0.38 -0.08 -0.69 0.24 0.00 0.00 174.94 174.90 2a54 s VAL 147 N 0.04 0.75 0.12 8.37 1.01 -0.50 -1.28 120.40 128.91 2a54 s VAL 147 Ca 0.33 -0.27 -0.24 0.00 0.00 0.00 0.00 61.98 61.79 2a54 s VAL 147 Cb -0.18 -0.72 0.07 0.00 0.00 0.00 0.00 36.38 35.55 2a54 s VAL 147 CO 0.18 0.26 0.63 -0.72 0.00 0.00 0.00 175.10 175.46 2a54 s TYR 148 N 0.68 -0.54 0.20 5.22 1.13 -0.49 -1.71 117.35 121.85 2a54 s TYR 148 Ca -0.11 0.42 -0.30 0.00 -1.41 0.00 0.00 57.07 55.67 2a54 s TYR 148 Cb -0.14 0.54 -0.08 0.00 -1.10 0.00 0.00 41.96 41.18 2a54 s TYR 148 CO 0.01 -0.79 1.03 -2.00 -2.51 0.00 0.00 175.55 171.29 2a54 s GLU 149 N -3.37 4.70 -0.12 -3.49 2.12 -1.26 -0.58 118.70 116.70 2a54 s GLU 149 Ca -0.00 1.62 -0.10 0.00 0.36 0.00 0.00 54.97 56.85 2a54 s GLU 149 Cb -0.01 -3.28 0.04 0.00 0.26 0.00 0.00 34.13 31.14 2a54 s GLU 149 CO -0.10 0.26 0.31 0.08 -0.54 0.00 0.00 175.26 175.27 2a54 s VAL 150 N -0.66 -0.01 -1.59 3.70 1.01 -0.36 -4.85 120.40 117.64 2a54 s VAL 150 Ca 0.45 0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.46 2a54 s VAL 150 Cb -0.28 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.66 2a54 s VAL 150 CO 0.34 0.01 0.01 0.47 0.00 0.00 0.00 175.10 175.94 2a54 n ASP 151 N 3.24 -5.39 -0.68 3.32 8.00 -1.26 -1.40 116.55 122.39 2a54 n ASP 151 Ca -0.16 0.03 -0.09 0.00 0.71 0.00 0.00 54.79 55.29 2a54 n ASP 151 Cb 0.57 -4.50 -0.04 0.00 -0.02 0.00 0.00 41.12 37.13 2a54 n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a54 n GLY 152 N -0.97 1.00 2.04 0.44 0.00 -1.26 -4.99 105.19 101.45 2a54 n GLY 152 Ca -0.22 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 2a54 n GLY 152 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2a54 n VAL 153 N -2.54 0.00 -4.31 1.61 0.24 -0.49 -4.72 118.33 108.12 2a54 n VAL 153 Ca -0.09 -1.48 -0.35 0.00 -2.04 0.00 0.00 64.34 60.38 2a54 n VAL 153 Cb 0.39 0.61 -0.10 0.00 -1.47 0.00 0.00 33.84 33.27 2a54 n VAL 153 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2a54 s LEU 154 N 0.00 3.58 -0.02 1.34 1.02 -1.05 -1.23 118.68 122.31 2a54 s LEU 154 Ca 0.17 0.09 -0.01 0.00 0.02 0.00 0.00 54.13 54.40 2a54 s LEU 154 Cb 0.01 -1.84 -0.04 0.00 0.02 0.00 0.00 46.19 44.34 2a54 s LEU 154 CO 0.12 0.31 0.08 -0.13 0.02 0.00 0.00 176.35 176.74 2a54 s ARG 155 N -0.44 3.09 0.05 1.70 0.52 0.26 -0.67 118.95 123.46 2a54 s ARG 155 Ca 0.08 -0.45 0.06 0.00 -0.52 0.00 0.00 55.73 54.90 2a54 s ARG 155 Cb -0.12 -2.88 -0.03 0.00 0.52 0.00 0.00 34.95 32.45 2a54 s ARG 155 CO 0.02 0.66 -0.17 0.20 0.02 0.00 0.00 175.30 176.03 2a54 s GLY 156 N -1.61 0.97 0.01 -3.53 0.00 -0.20 -1.39 107.32 101.57 2a54 s GLY 156 Ca 0.21 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.96 2a54 s GLY 156 CO 0.12 -0.95 -0.03 1.20 0.00 0.00 0.00 173.10 173.44 2a54 s GLN 157 N -1.33 0.24 0.08 2.90 -0.21 -0.40 -1.02 119.66 119.91 2a54 s GLN 157 Ca 0.04 -0.30 -0.11 0.00 0.02 0.00 0.00 55.36 55.00 2a54 s GLN 157 Cb -0.09 -0.09 0.01 0.00 1.00 0.00 0.00 33.01 33.84 2a54 s GLN 157 CO 0.02 0.02 0.26 -1.54 -2.12 0.00 0.00 175.29 171.92 2a54 s SER 158 N -0.63 -0.01 -0.22 5.90 1.04 -0.96 -0.69 113.70 118.13 2a54 s SER 158 Ca -0.05 -0.44 -0.07 0.00 0.48 0.00 0.00 55.95 55.87 2a54 s SER 158 Cb -0.04 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 2a54 s SER 158 CO -0.00 -0.70 0.05 -0.76 0.98 0.00 0.00 173.24 172.81 2a54 s LEU 159 N -2.54 3.47 0.26 2.42 1.43 -1.26 -0.75 118.68 121.72 2a54 s LEU 159 Ca 0.01 -0.15 0.10 0.00 -1.03 0.00 0.00 54.13 53.05 2a54 s LEU 159 Cb 0.02 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 2a54 s LEU 159 CO -0.08 0.03 -0.03 -0.04 0.23 0.00 0.00 176.35 176.46 2a54 s MET 160 N 1.23 2.22 -0.09 1.70 -1.94 -0.44 -4.48 119.30 117.50 2a54 s MET 160 Ca 0.04 -1.45 -0.04 0.00 -1.71 0.00 0.00 55.69 52.54 2a54 s MET 160 Cb -0.14 -2.12 0.05 0.00 2.01 0.00 0.00 34.83 34.63 2a54 s MET 160 CO 0.03 0.36 0.19 0.00 -0.01 0.00 0.00 175.02 175.59 2a54 s ALA 161 N -2.32 -0.32 -0.13 3.03 0.00 -1.26 -0.81 121.76 119.95 2a54 s ALA 161 Ca 0.31 0.72 -0.25 0.00 0.00 0.00 0.00 51.96 52.74 2a54 s ALA 161 Cb -0.06 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 2a54 s ALA 161 CO 0.19 -0.43 0.81 -1.17 0.00 0.00 0.00 175.76 175.16 2a54 s LEU 162 N 1.90 4.22 -0.57 0.00 2.96 0.37 -0.91 118.68 126.65 2a54 s LEU 162 Ca -0.02 1.22 -0.23 0.00 -0.22 0.00 0.00 54.13 54.88 2a54 s LEU 162 Cb -0.12 -3.22 0.05 0.00 0.50 0.00 0.00 46.19 43.40 2a54 s LEU 162 CO -0.07 -0.32 0.87 -0.75 -1.32 0.00 0.00 176.35 174.77 2a54 s LYS 163 N 1.74 3.23 0.53 1.98 2.20 0.50 -1.12 119.74 128.79 2a54 s LYS 163 Ca 0.39 -0.55 -0.10 0.00 -0.36 0.00 0.00 55.97 55.35 2a54 s LYS 163 Cb -0.17 -4.11 -0.05 0.00 -1.51 0.00 0.00 37.83 31.99 2a54 s LYS 163 CO 0.15 -1.51 0.91 0.00 -0.36 0.00 0.00 175.35 174.55 2a54 s PRO 165 N -4.66 4.20 0.00 0.00 0.02 -1.26 -1.45 135.00 131.84 2a54 s PRO 165 Ca 0.53 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.98 2a54 s PRO 165 Cb -0.11 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.33 2a54 s PRO 165 CO 0.44 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.96 2a54 n GLY 166 N 2.65 0.43 0.00 0.52 0.00 -1.26 -4.67 105.19 102.86 2a54 n GLY 166 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2a54 n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a54 n GLY 167 N -2.00 2.33 3.76 -0.02 0.00 -0.53 -5.07 105.19 103.67 2a54 n GLY 167 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2a54 n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a54 s ARG 168 N -0.09 3.56 -0.11 1.61 0.52 -1.26 -4.66 118.95 118.52 2a54 s ARG 168 Ca 0.00 1.92 -0.05 0.00 -0.52 0.00 0.00 55.73 57.08 2a54 s ARG 168 Cb 0.00 -2.36 -0.04 0.00 0.52 0.00 0.00 34.95 33.08 2a54 s ARG 168 CO 0.00 -0.76 0.10 -1.01 0.02 0.00 0.00 175.30 173.65 2a54 s HIS 169 N -1.47 3.46 -0.22 -0.53 3.76 -1.26 -0.64 115.29 118.40 2a54 s HIS 169 Ca 0.66 0.42 -0.04 0.00 -0.15 0.00 0.00 55.06 55.95 2a54 s HIS 169 Cb -0.32 -1.90 -0.01 0.00 1.11 0.00 0.00 32.58 31.46 2a54 s HIS 169 CO 0.39 0.64 -0.04 -1.17 -0.85 0.00 0.00 174.74 173.71 2a54 s LEU 170 N -0.95 2.90 0.29 0.89 2.96 -0.28 -4.93 118.68 119.57 2a54 s LEU 170 Ca 0.14 -0.38 0.06 0.00 -0.22 0.00 0.00 54.13 53.73 2a54 s LEU 170 Cb -0.12 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 2a54 s LEU 170 CO 0.03 -0.01 0.35 0.42 -1.32 0.00 0.00 176.35 175.82 2a54 s THR 171 N 1.44 4.44 0.16 3.68 -4.23 -1.26 -0.48 115.64 119.38 2a54 s THR 171 Ca 0.05 -1.13 -0.12 0.00 -1.18 0.00 0.00 61.69 59.31 2a54 s THR 171 Cb -0.14 -3.52 0.01 0.00 1.34 0.00 0.00 72.50 70.19 2a54 s THR 171 CO -0.03 -0.25 0.36 0.00 -0.54 0.00 0.00 174.62 174.15 2a54 s HIS 173 N -3.92 1.65 -0.08 0.00 5.04 0.36 -1.33 115.29 117.02 2a54 s HIS 173 Ca 0.12 -0.87 -0.16 0.00 -1.54 0.00 0.00 55.06 52.62 2a54 s HIS 173 Cb 0.02 -1.32 -0.05 0.00 0.04 0.00 0.00 32.58 31.27 2a54 s HIS 173 CO -0.03 -0.56 0.40 -0.51 -2.34 0.00 0.00 174.74 171.71 2a54 s LEU 174 N 1.65 4.35 -0.22 8.88 1.02 0.08 -1.04 118.68 133.40 2a54 s LEU 174 Ca 0.05 0.80 0.01 0.00 0.02 0.00 0.00 54.13 55.01 2a54 s LEU 174 Cb -0.13 -2.57 0.06 0.00 0.02 0.00 0.00 46.19 43.56 2a54 s LEU 174 CO -0.09 0.16 -0.06 -1.00 0.02 0.00 0.00 176.35 175.38 2a54 s HIS 175 N -0.11 2.35 0.06 0.29 3.76 -0.38 -2.26 115.29 119.00 2a54 s HIS 175 Ca 0.23 -1.68 0.08 0.00 -0.15 0.00 0.00 55.06 53.53 2a54 s HIS 175 Cb -0.15 -1.57 -0.03 0.00 1.11 0.00 0.00 32.58 31.94 2a54 s HIS 175 CO 0.10 -0.76 -0.21 0.99 -0.85 0.00 0.00 174.74 174.02 2a54 s THR 176 N 1.41 1.68 -0.08 1.30 2.01 -0.19 -1.69 115.64 120.07 2a54 s THR 176 Ca -0.05 -1.31 0.04 0.00 0.31 0.00 0.00 61.69 60.68 2a54 s THR 176 Cb -0.18 -1.48 0.00 0.00 0.01 0.00 0.00 72.50 70.85 2a54 s THR 176 CO -0.07 0.12 -0.20 -0.89 -0.69 0.00 0.00 174.62 172.89 2a54 s THR 177 N -0.92 1.73 -0.16 -0.82 2.01 -0.34 -1.03 115.64 116.11 2a54 s THR 177 Ca 0.07 -0.84 -0.04 0.00 0.31 0.00 0.00 61.69 61.19 2a54 s THR 177 Cb -0.09 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 2a54 s THR 177 CO 0.03 0.49 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.10 2a54 s TYR 178 N 0.36 3.04 -0.25 4.92 2.02 0.15 -1.53 117.35 126.07 2a54 s TYR 178 Ca -0.15 -0.28 0.01 0.00 -0.37 0.00 0.00 57.07 56.28 2a54 s TYR 178 Cb -0.16 -1.97 0.07 0.00 -0.40 0.00 0.00 41.96 39.49 2a54 s TYR 178 CO 0.06 -0.03 -0.03 1.03 -1.57 0.00 0.00 175.55 175.02 2a54 s ARG 179 N 0.39 1.47 0.54 -0.62 0.52 0.30 -2.54 118.95 119.01 2a54 s ARG 179 Ca -0.03 -1.03 -0.22 0.00 -0.52 0.00 0.00 55.73 53.92 2a54 s ARG 179 Cb -0.14 -2.56 -0.05 0.00 0.52 0.00 0.00 34.95 32.72 2a54 s ARG 179 CO 0.03 -0.66 1.37 0.45 0.02 0.00 0.00 175.30 176.51 2a54 n SER 180 N 4.68 2.79 0.01 0.23 2.88 -1.26 -1.12 113.62 121.81 2a54 n SER 180 Ca -0.10 0.99 0.14 0.00 -1.33 0.00 0.00 58.87 58.57 2a54 n SER 180 Cb 0.44 -1.58 0.59 0.00 -0.75 0.00 0.00 64.21 62.91 2a54 n SER 180 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2a54 n LYS 181 N -0.95 0.02 -2.94 -1.46 5.02 -0.53 -4.81 118.16 112.51 2a54 n LYS 181 Ca 0.10 0.02 -0.31 0.00 -2.02 0.00 0.00 58.31 56.10 2a54 n LYS 181 Cb 0.44 -1.52 -0.05 0.00 -0.02 0.00 0.00 35.03 33.89 2a54 n LYS 181 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2a54 s LYS 182 N -3.01 3.90 0.51 1.97 1.02 -1.26 -4.99 119.74 117.88 2a54 s LYS 182 Ca 0.14 0.62 -0.19 0.00 0.02 0.00 0.00 55.97 56.55 2a54 s LYS 182 Cb 0.18 -2.38 -0.07 0.00 -0.52 0.00 0.00 37.83 35.04 2a54 s LYS 182 CO 0.52 0.03 1.04 -1.25 -0.92 0.00 0.00 175.35 174.77 2a54 s PRO 183 N -3.48 3.70 0.58 -1.68 0.04 -1.26 -4.91 135.00 127.99 2a54 s PRO 183 Ca 0.53 1.33 0.28 0.00 0.04 0.00 0.00 61.00 63.18 2a54 s PRO 183 Cb -0.10 -2.08 1.58 0.00 0.04 0.00 0.00 34.50 33.94 2a54 s PRO 183 CO 0.25 -0.52 2.06 0.00 0.04 0.00 0.00 177.00 178.83 2a54 h ALA 184 N 1.31 1.96 0.00 8.56 0.00 -1.94 0.72 119.26 129.87 2a54 h ALA 184 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2a54 h ALA 184 Cb 1.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2a54 h ALA 184 CO 0.59 -0.39 0.00 0.66 0.00 0.00 0.00 179.25 180.11 2a54 h SER 185 N 0.00 0.00 -0.39 0.00 4.64 -1.96 -2.37 113.55 113.48 2a54 h SER 185 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2a54 h SER 185 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2a54 h SER 185 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2a54 n ALA 186 N -1.97 2.43 -2.42 5.18 0.00 0.25 -4.97 120.51 119.00 2a54 n ALA 186 Ca -0.00 -0.94 -0.27 0.00 0.00 0.00 0.00 53.44 52.22 2a54 n ALA 186 Cb 0.18 -0.92 -0.15 0.00 0.00 0.00 0.00 19.45 18.56 2a54 n ALA 186 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2a54 s LEU 187 N -1.44 2.11 -0.42 0.00 1.43 -0.89 -5.01 118.68 114.45 2a54 s LEU 187 Ca 0.38 -0.47 -0.21 0.00 -1.03 0.00 0.00 54.13 52.80 2a54 s LEU 187 Cb 0.22 -1.09 0.02 0.00 0.03 0.00 0.00 46.19 45.37 2a54 s LEU 187 CO 0.31 0.23 0.67 -0.75 0.23 0.00 0.00 176.35 177.03 2a54 s LYS 188 N -0.86 3.40 0.13 1.70 2.20 -1.26 -4.98 119.74 120.06 2a54 s LYS 188 Ca 0.08 -0.22 -0.30 0.00 -0.36 0.00 0.00 55.97 55.18 2a54 s LYS 188 Cb -0.09 -3.92 -0.06 0.00 -1.51 0.00 0.00 37.83 32.25 2a54 s LYS 188 CO 0.01 -0.97 0.95 -1.64 -0.36 0.00 0.00 175.35 173.33 2a54 s MET 189 N 2.89 4.72 0.52 4.03 -1.94 -1.26 -4.70 119.30 123.57 2a54 s MET 189 Ca 0.25 1.44 -0.18 0.00 -1.71 0.00 0.00 55.69 55.49 2a54 s MET 189 Cb -0.14 -3.36 -0.07 0.00 2.01 0.00 0.00 34.83 33.28 2a54 s MET 189 CO 0.19 0.28 1.02 -1.25 -0.01 0.00 0.00 175.02 175.25 2a54 s PRO 190 N -0.25 3.71 0.96 2.03 0.04 -1.26 -4.86 135.00 135.37 2a54 s PRO 190 Ca 0.45 1.20 -0.15 0.00 0.04 0.00 0.00 61.00 62.54 2a54 s PRO 190 Cb -0.24 -2.09 0.18 0.00 0.04 0.00 0.00 34.50 32.40 2a54 s PRO 190 CO 0.30 -0.48 1.24 0.20 0.04 0.00 0.00 177.00 178.30 2a54 s GLY 191 N -2.50 1.69 0.13 0.56 0.00 -1.26 -4.48 107.32 101.46 2a54 s GLY 191 Ca 0.64 -0.98 -0.35 0.00 0.00 0.00 0.00 44.72 44.03 2a54 s GLY 191 CO 0.27 -0.27 1.53 0.33 0.00 0.00 0.00 173.10 174.97 2a54 n PHE 192 N -3.84 2.09 -3.87 1.90 7.35 -1.26 -4.76 117.46 115.07 2a54 n PHE 192 Ca 0.12 0.35 -0.10 0.00 -0.76 0.00 0.00 57.45 57.06 2a54 n PHE 192 Cb 0.60 -2.50 0.01 0.00 0.35 0.00 0.00 39.48 37.94 2a54 n PHE 192 CO 0.00 0.00 0.00 -3.38 -0.76 0.00 0.00 176.76 172.62 2a54 s HIS 193 N 0.97 0.34 0.02 -5.13 -3.43 -0.69 -4.98 115.29 102.38 2a54 s HIS 193 Ca 0.81 -0.92 0.03 0.00 -0.80 0.00 0.00 55.06 54.18 2a54 s HIS 193 Cb -0.75 0.63 -0.04 0.00 -1.43 0.00 0.00 32.58 30.99 2a54 s HIS 193 CO 0.41 -1.48 -0.04 -0.06 -2.00 0.00 0.00 174.74 171.57 2a54 s PHE 194 N -2.47 2.95 -0.25 0.38 0.40 0.25 -1.41 117.98 117.82 2a54 s PHE 194 Ca 0.19 -0.01 0.01 0.00 -0.60 0.00 0.00 56.93 56.52 2a54 s PHE 194 Cb -0.04 -1.61 0.07 0.00 0.51 0.00 0.00 43.02 41.95 2a54 s PHE 194 CO 0.14 0.42 -0.02 -1.21 0.70 0.00 0.00 175.22 175.24 2a54 s GLU 195 N -1.60 1.40 0.18 0.44 2.02 0.47 -0.86 118.70 120.76 2a54 s GLU 195 Ca 0.19 -1.04 -0.30 0.00 0.02 0.00 0.00 54.97 53.84 2a54 s GLU 195 Cb -0.11 -2.53 -0.08 0.00 0.10 0.00 0.00 34.13 31.51 2a54 s GLU 195 CO 0.10 -0.69 1.05 -0.51 0.02 0.00 0.00 175.26 175.23 2a54 s ASP 196 N 1.42 7.36 -0.08 -0.19 1.01 -0.02 -0.66 116.67 125.51 2a54 s ASP 196 Ca -0.02 2.03 0.01 0.00 0.71 0.00 0.00 52.55 55.29 2a54 s ASP 196 Cb -0.19 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.16 2a54 s ASP 196 CO -0.09 -0.13 -0.09 -1.00 0.21 0.00 0.00 175.17 174.07 2a54 s HIS 197 N -0.43 1.35 -0.30 4.23 3.76 0.48 -1.72 115.29 122.67 2a54 s HIS 197 Ca 0.47 -0.55 -0.05 0.00 -0.15 0.00 0.00 55.06 54.77 2a54 s HIS 197 Cb -0.28 -1.07 0.02 0.00 1.11 0.00 0.00 32.58 32.36 2a54 s HIS 197 CO 0.34 -0.35 0.05 0.50 -0.85 0.00 0.00 174.74 174.44 2a54 s ARG 198 N 1.08 2.91 -0.17 1.40 6.06 0.06 -1.30 118.95 128.99 2a54 s ARG 198 Ca -0.07 -0.97 0.01 0.00 -2.50 0.00 0.00 55.73 52.20 2a54 s ARG 198 Cb -0.14 -3.30 0.01 0.00 0.06 0.00 0.00 34.95 31.58 2a54 s ARG 198 CO -0.01 -0.49 -0.19 0.42 -2.50 0.00 0.00 175.30 172.53 2a54 s ILE 199 N 1.43 2.20 -0.11 4.11 1.01 -1.26 -1.68 121.20 126.90 2a54 s ILE 199 Ca 0.01 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.76 2a54 s ILE 199 Cb -0.18 -1.92 0.02 0.00 0.01 0.00 0.00 42.46 40.39 2a54 s ILE 199 CO 0.01 0.53 -0.10 -1.61 0.00 0.00 0.00 174.94 173.77 2a54 s GLU 200 N 1.20 1.70 -1.06 2.79 2.02 -0.40 -4.57 118.70 120.39 2a54 s GLU 200 Ca 0.02 -0.34 -0.16 0.00 0.02 0.00 0.00 54.97 54.52 2a54 s GLU 200 Cb -0.14 -1.65 0.16 0.00 0.10 0.00 0.00 34.13 32.61 2a54 s GLU 200 CO -0.10 -0.20 1.24 0.42 0.02 0.00 0.00 175.26 176.64 2a54 s ILE 201 N 1.46 4.97 -0.04 -1.63 1.01 -1.26 -0.98 121.20 124.73 2a54 s ILE 201 Ca 0.01 -2.18 -0.25 0.00 0.00 0.00 0.00 60.65 58.23 2a54 s ILE 201 Cb -0.13 -4.81 -0.20 0.00 0.01 0.00 0.00 42.46 37.32 2a54 s ILE 201 CO -0.06 -1.52 1.14 0.24 0.00 0.00 0.00 174.94 174.74 2a54 h MET 202 N 7.94 -0.05 -5.13 2.79 2.86 -1.78 -3.42 114.93 118.13 2a54 h MET 202 Ca 0.23 0.00 -0.66 0.00 -2.06 0.00 0.00 59.70 57.21 2a54 h MET 202 Cb 0.95 0.01 -0.28 0.00 0.06 0.00 0.00 31.60 32.34 2a54 h MET 202 CO 1.14 0.48 -0.75 -2.00 1.06 0.00 0.00 176.91 176.85 2a54 s GLU 203 N -3.89 3.35 -0.72 1.72 2.12 -1.23 -5.02 118.70 115.04 2a54 s GLU 203 Ca -0.16 -0.66 -0.15 0.00 0.36 0.00 0.00 54.97 54.35 2a54 s GLU 203 Cb 0.01 -2.82 0.17 0.00 0.26 0.00 0.00 34.13 31.75 2a54 s GLU 203 CO 0.64 -0.04 0.70 -2.00 -0.54 0.00 0.00 175.26 174.02 2a54 s GLU 204 N 1.01 3.34 0.02 4.30 2.12 -1.26 -1.21 118.70 127.02 2a54 s GLU 204 Ca -0.01 -2.05 -0.22 0.00 0.36 0.00 0.00 54.97 53.05 2a54 s GLU 204 Cb -0.15 -4.40 -0.17 0.00 0.26 0.00 0.00 34.13 29.67 2a54 s GLU 204 CO -0.01 -1.36 1.31 0.28 -0.54 0.00 0.00 175.26 174.94 2a54 h VAL 205 N 5.34 1.36 -3.82 3.70 2.07 -1.71 -3.45 116.25 119.74 2a54 h VAL 205 Ca -0.07 -1.25 -0.23 0.00 0.82 0.00 0.00 66.70 65.97 2a54 h VAL 205 Cb 1.06 1.99 -0.26 0.00 -1.52 0.00 0.00 31.29 32.56 2a54 h VAL 205 CO 0.91 0.35 -0.72 -1.61 0.02 0.00 0.00 177.57 176.52 2a54 s GLU 206 N -4.27 0.14 0.00 1.57 2.02 -1.01 -4.94 118.70 112.20 2a54 s GLU 206 Ca -0.15 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 54.64 2a54 s GLU 206 Cb 0.04 -0.02 0.00 0.00 0.10 0.00 0.00 34.13 34.25 2a54 s GLU 206 CO 0.72 0.00 0.00 1.63 0.02 0.00 0.00 175.26 177.63 2a54 n LYS 207 N 2.63 0.00 0.00 1.61 4.01 -1.26 -1.58 118.16 123.57 2a54 n LYS 207 Ca -0.16 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.64 2a54 n LYS 207 Cb 0.58 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.10 2a54 n LYS 207 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2a54 n GLY 208 N 0.00 2.99 0.00 0.72 0.00 -1.26 -4.85 105.19 102.79 2a54 n GLY 208 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2a54 n GLY 208 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a54 n LYS 209 N 0.00 1.09 -3.71 1.61 5.02 -0.62 -5.07 118.16 116.48 2a54 n LYS 209 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 2a54 n LYS 209 Cb 0.00 -0.67 -0.17 0.00 -0.02 0.00 0.00 35.03 34.17 2a54 n LYS 209 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2a54 s TYR 211 N 1.88 0.95 -0.14 0.00 1.51 -1.26 -1.73 117.35 118.57 2a54 s TYR 211 Ca 0.01 -0.22 -0.03 0.00 -1.01 0.00 0.00 57.07 55.83 2a54 s TYR 211 Cb -0.12 -0.60 -0.03 0.00 -0.11 0.00 0.00 41.96 41.10 2a54 s TYR 211 CO -0.03 -0.01 -0.05 0.15 -1.11 0.00 0.00 175.55 174.50 2a54 s LYS 212 N -0.48 3.49 -0.05 -0.62 1.02 -0.35 -4.98 119.74 117.77 2a54 s LYS 212 Ca 0.03 -0.54 0.02 0.00 0.02 0.00 0.00 55.97 55.49 2a54 s LYS 212 Cb -0.05 -2.83 0.02 0.00 -0.52 0.00 0.00 37.83 34.45 2a54 s LYS 212 CO -0.00 0.31 -0.07 -1.14 -0.92 0.00 0.00 175.35 173.53 2a54 s GLN 213 N 0.15 1.11 0.04 1.68 0.74 -1.26 -1.96 119.66 120.16 2a54 s GLN 213 Ca -0.02 -0.22 0.03 0.00 0.05 0.00 0.00 55.36 55.19 2a54 s GLN 213 Cb -0.14 -1.01 -0.04 0.00 1.10 0.00 0.00 33.01 32.92 2a54 s GLN 213 CO 0.03 -0.03 0.02 -0.47 -0.55 0.00 0.00 175.29 174.29 2a54 s TYR 214 N 0.75 3.08 -0.04 1.67 5.04 -0.15 -4.98 117.35 122.72 2a54 s TYR 214 Ca -0.12 0.05 -0.03 0.00 -2.44 0.00 0.00 57.07 54.53 2a54 s TYR 214 Cb -0.14 -1.62 0.01 0.00 0.35 0.00 0.00 41.96 40.55 2a54 s TYR 214 CO 0.01 0.48 0.09 -2.00 -1.34 0.00 0.00 175.55 172.80 2a54 s GLU 215 N -1.94 0.11 -0.05 4.97 2.12 -1.26 -1.27 118.70 121.37 2a54 s GLU 215 Ca 0.23 0.13 0.06 0.00 0.36 0.00 0.00 54.97 55.75 2a54 s GLU 215 Cb -0.12 0.05 -0.01 0.00 0.26 0.00 0.00 34.13 34.32 2a54 s GLU 215 CO 0.15 -0.01 -0.24 0.00 -0.54 0.00 0.00 175.26 174.61 2a54 s ALA 216 N 0.05 2.10 0.00 6.30 0.00 -0.68 -4.99 121.76 124.54 2a54 s ALA 216 Ca -0.00 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.95 2a54 s ALA 216 Cb -0.01 -0.65 -0.00 0.00 0.00 0.00 0.00 23.12 22.46 2a54 s ALA 216 CO 0.00 0.41 -0.04 0.00 0.00 0.00 0.00 175.76 176.14 2a54 s ALA 217 N -0.17 0.28 -0.05 0.00 0.00 -1.26 -0.76 121.76 119.80 2a54 s ALA 217 Ca -0.03 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.74 2a54 s ALA 217 Cb -0.13 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 22.96 2a54 s ALA 217 CO 0.03 0.05 -0.04 0.08 0.00 0.00 0.00 175.76 175.88 2a54 s VAL 218 N -0.23 0.56 -0.26 0.00 1.01 -0.70 -1.65 120.40 119.14 2a54 s VAL 218 Ca -0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 2a54 s VAL 218 Cb -0.02 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.71 2a54 s VAL 218 CO -0.00 0.24 0.22 -0.83 0.00 0.00 0.00 175.10 174.73 2a54 s GLY 219 N 1.10 1.96 0.27 4.51 0.00 0.01 -0.84 107.32 114.33 2a54 s GLY 219 Ca -0.08 -0.93 -0.15 0.00 0.00 0.00 0.00 44.72 43.57 2a54 s GLY 219 CO -0.01 0.62 0.57 1.09 0.00 0.00 0.00 173.10 175.36 2a54 s ARG 220 N 1.51 1.68 0.61 2.90 1.70 -0.04 -1.22 118.95 126.09 2a54 s ARG 220 Ca 0.09 -1.22 0.06 0.00 -0.47 0.00 0.00 55.73 54.19 2a54 s ARG 220 Cb -0.15 0.52 0.09 0.00 -0.57 0.00 0.00 34.95 34.84 2a54 s ARG 220 CO 0.08 -0.73 0.85 0.71 -1.08 0.00 0.00 175.30 175.13 2a54 s TYR 221 N -3.82 1.59 -1.05 5.89 4.12 -1.26 -0.59 117.35 122.24 2a54 s TYR 221 Ca 0.19 -0.53 -0.21 0.00 0.02 0.00 0.00 57.07 56.54 2a54 s TYR 221 Cb -0.02 -2.50 0.07 0.00 -1.52 0.00 0.00 41.96 37.98 2a54 s TYR 221 CO 0.09 -1.29 1.43 0.00 0.02 0.00 0.00 175.55 175.80 2a54 h ASP 223 N 9.18 0.00 0.70 0.00 2.03 -1.99 -3.34 116.42 123.01 2a54 h ASP 223 Ca 0.23 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.43 2a54 h ASP 223 Cb 0.99 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.47 2a54 h ASP 223 CO 1.37 0.24 -0.47 0.00 -1.03 0.00 0.00 179.24 179.35 2a54 h ALA 224 N 1.76 1.03 -2.89 4.15 0.00 -2.06 -3.35 119.26 117.89 2a54 h ALA 224 Ca -0.04 -0.43 -0.61 0.00 0.00 0.00 0.00 54.91 53.83 2a54 h ALA 224 Cb 1.22 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 18.53 2a54 h ALA 224 CO 0.02 0.59 -0.73 0.00 0.00 0.00 0.00 179.25 179.13 2a54 s ALA 225 N -3.67 2.66 0.62 0.00 0.00 -1.25 -5.12 121.76 114.99 2a54 s ALA 225 Ca -0.01 -3.07 -0.14 0.00 0.00 0.00 0.00 51.96 48.74 2a54 s ALA 225 Cb 0.12 -1.94 -0.03 0.00 0.00 0.00 0.00 23.12 21.28 2a54 s ALA 225 CO 0.72 -2.05 1.05 -1.25 0.00 0.00 0.00 175.76 174.23 2a54 s PRO 226 N -0.44 3.27 0.52 0.00 0.04 -1.26 -4.95 135.00 132.19 2a54 s PRO 226 Ca 0.24 1.10 -0.21 0.00 0.04 0.00 0.00 61.00 62.18 2a54 s PRO 226 Cb -0.10 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 2a54 s PRO 226 CO -0.11 -0.84 1.18 0.45 0.04 0.00 0.00 177.00 177.72 2a54 s SER 227 N -3.12 5.73 0.00 6.66 0.15 -1.26 -4.96 113.70 116.90 2a54 s SER 227 Ca 0.61 2.32 0.28 0.00 0.70 0.00 0.00 55.95 59.86 2a54 s SER 227 Cb -0.15 -2.60 0.99 0.00 -1.71 0.00 0.00 66.02 62.56 2a54 s SER 227 CO 0.42 -1.22 1.72 0.29 1.20 0.00 0.00 173.24 175.65 2a54 n LYS 228 N -1.05 0.74 0.00 5.44 5.02 -1.26 -4.38 118.16 122.67 2a54 n LYS 228 Ca 0.10 -0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.04 2a54 n LYS 228 Cb 0.49 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 2a54 n LYS 228 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2a54 n LEU 229 N -0.82 1.49 0.00 -0.35 4.77 -1.26 -5.00 117.00 115.82 2a54 n LEU 229 Ca 0.13 -1.49 0.00 0.00 -0.03 0.00 0.00 56.01 54.63 2a54 n LEU 229 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2a54 n LEU 229 CO 0.25 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 2a54 n GLY 230 N -0.27 0.68 3.77 -0.72 0.00 -1.26 -5.05 105.19 102.34 2a54 n GLY 230 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2a54 n GLY 230 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2a54 s HIS 231 N -2.38 2.83 -1.73 1.61 3.76 -1.26 -5.06 115.29 113.06 2a54 s HIS 231 Ca 0.00 1.54 0.00 0.00 -0.15 0.00 0.00 55.06 56.45 2a54 s HIS 231 Cb 0.00 -3.34 0.00 0.00 1.11 0.00 0.00 32.58 30.35 2a54 s HIS 231 CO 0.00 -1.47 0.43 0.09 -0.85 0.00 0.00 174.74 172.94