#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6f s PRO 7 N 0.00 4.16 0.01 1.64 0.02 -1.26 -4.44 135.00 135.13 1f6f s PRO 7 Ca 0.00 1.51 0.03 0.00 0.02 0.00 0.00 61.00 62.56 1f6f s PRO 7 Cb 0.00 -2.54 -0.01 0.00 0.02 0.00 0.00 34.50 31.97 1f6f s PRO 7 CO 0.00 -0.14 -0.09 -2.00 -0.33 0.00 0.00 177.00 174.44 1f6f s GLU 8 N -2.50 0.71 -0.29 5.54 2.12 -1.19 -4.46 118.70 118.63 1f6f s GLU 8 Ca 0.58 -0.45 -0.29 0.00 0.36 0.00 0.00 54.97 55.17 1f6f s GLU 8 Cb -0.22 -0.67 0.01 0.00 0.26 0.00 0.00 34.13 33.52 1f6f s GLU 8 CO 0.27 0.17 1.04 -1.50 -0.54 0.00 0.00 175.26 174.71 1f6f s ILE 9 N -0.48 4.59 -0.04 -3.70 1.10 -1.26 -1.94 121.20 119.47 1f6f s ILE 9 Ca 0.01 1.80 -0.17 0.00 -0.51 0.00 0.00 60.65 61.78 1f6f s ILE 9 Cb -0.05 -4.36 -0.11 0.00 0.15 0.00 0.00 42.46 38.09 1f6f s ILE 9 CO 0.00 -0.36 0.73 -0.74 -2.11 0.00 0.00 174.94 172.46 1f6f h HIS 10 N 7.87 -0.42 -1.21 3.50 -0.00 -1.69 -3.48 115.15 119.71 1f6f h HIS 10 Ca -0.20 -0.01 0.19 0.00 -0.00 0.00 0.00 60.37 60.34 1f6f h HIS 10 Cb 1.06 0.14 -0.27 0.00 -0.00 0.00 0.00 27.41 28.34 1f6f h HIS 10 CO 0.80 -0.16 0.82 -1.59 -0.00 0.00 0.00 177.93 177.80 1f6f s LYS 11 N -3.43 0.21 0.02 5.26 -2.85 -1.19 -5.02 119.74 112.75 1f6f s LYS 11 Ca -0.10 0.09 0.06 0.00 -1.00 0.00 0.00 55.97 55.03 1f6f s LYS 11 Cb 0.01 0.10 -0.03 0.00 -2.06 0.00 0.00 37.83 35.85 1f6f s LYS 11 CO 0.32 -0.06 -0.18 0.00 0.10 0.00 0.00 175.35 175.53 1f6f s ARG 13 N -1.25 0.55 -0.05 0.00 1.81 0.64 -4.92 118.95 115.73 1f6f s ARG 13 Ca 0.14 -0.31 0.01 0.00 -1.72 0.00 0.00 55.73 53.85 1f6f s ARG 13 Cb -0.10 0.24 0.02 0.00 -0.45 0.00 0.00 34.95 34.65 1f6f s ARG 13 CO 0.04 -0.14 -0.06 0.45 -0.68 0.00 0.00 175.30 174.91 1f6f s SER 14 N -1.34 1.20 0.09 0.23 0.15 -0.46 -0.97 113.70 112.61 1f6f s SER 14 Ca -0.14 -0.18 0.26 0.00 0.70 0.00 0.00 55.95 56.59 1f6f s SER 14 Cb -0.07 -0.56 0.72 0.00 -1.71 0.00 0.00 66.02 64.40 1f6f s SER 14 CO 0.03 -0.03 1.61 -0.81 1.20 0.00 0.00 173.24 175.23 1f6f n PRO 15 N 4.02 0.15 -0.22 5.44 -0.04 -1.26 -1.85 135.00 141.25 1f6f n PRO 15 Ca -0.24 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1f6f n PRO 15 Cb 0.51 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1f6f n PRO 15 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1f6f n ASP 16 N -1.88 0.00 0.00 3.54 5.68 -1.26 -4.58 116.55 118.05 1f6f n ASP 16 Ca 0.05 -1.08 0.00 0.00 -0.50 0.00 0.00 54.79 53.26 1f6f n ASP 16 Cb 0.39 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 1f6f n ASP 16 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1f6f n LYS 17 N 0.00 -1.11 -0.01 0.11 5.02 -1.26 -4.79 118.16 116.12 1f6f n LYS 17 Ca 0.00 0.28 0.04 0.00 -2.02 0.00 0.00 58.31 56.61 1f6f n LYS 17 Cb 0.52 -4.27 -0.09 0.00 -0.02 0.00 0.00 35.03 31.17 1f6f n LYS 17 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1f6f n GLU 18 N -0.60 0.68 -3.91 1.97 1.02 -1.26 -4.85 120.64 113.69 1f6f n GLU 18 Ca 0.00 -0.09 -0.09 0.00 -0.02 0.00 0.00 57.16 56.96 1f6f n GLU 18 Cb 0.28 -1.27 -0.06 0.00 -0.02 0.00 0.00 31.44 30.36 1f6f n GLU 18 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1f6f s THR 19 N -2.70 0.06 0.21 2.62 -4.23 -1.26 -3.86 115.64 106.48 1f6f s THR 19 Ca -0.04 -1.27 -0.17 0.00 -1.18 0.00 0.00 61.69 59.03 1f6f s THR 19 Cb 0.07 -1.76 0.02 0.00 1.34 0.00 0.00 72.50 72.17 1f6f s THR 19 CO 0.47 -0.29 0.53 0.72 -0.54 0.00 0.00 174.62 175.50 1f6f s PHE 20 N -3.94 -0.02 -0.03 3.99 -0.12 -1.08 -4.21 117.98 112.57 1f6f s PHE 20 Ca 0.15 -0.34 -0.02 0.00 -0.05 0.00 0.00 56.93 56.67 1f6f s PHE 20 Cb 0.03 0.38 0.01 0.00 -0.63 0.00 0.00 43.02 42.80 1f6f s PHE 20 CO -0.01 -0.96 0.06 0.99 -0.05 0.00 0.00 175.22 175.25 1f6f s THR 21 N -3.91 -0.01 0.01 -4.49 2.01 -0.14 -1.29 115.64 107.82 1f6f s THR 21 Ca 0.12 0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.24 1f6f s THR 21 Cb -0.01 -0.10 -0.03 0.00 0.01 0.00 0.00 72.50 72.37 1f6f s THR 21 CO 0.00 0.02 -0.24 0.00 -0.69 0.00 0.00 174.62 173.71 1f6f s TRP 23 N -0.75 2.28 0.25 0.00 0.51 -0.06 -1.69 118.94 119.49 1f6f s TRP 23 Ca 0.12 -0.37 0.01 0.00 -2.12 0.00 0.00 56.10 53.74 1f6f s TRP 23 Cb -0.10 -1.17 -0.04 0.00 -0.81 0.00 0.00 33.47 31.35 1f6f s TRP 23 CO 0.01 0.43 0.16 1.67 -0.51 0.00 0.00 176.95 178.71 1f6f s TRP 24 N -1.44 1.38 -0.08 -1.98 -2.14 -0.92 -1.87 118.94 111.89 1f6f s TRP 24 Ca 0.18 -1.41 0.03 0.00 2.66 0.00 0.00 56.10 57.55 1f6f s TRP 24 Cb -0.09 -0.67 0.01 0.00 -3.10 0.00 0.00 33.47 29.62 1f6f s TRP 24 CO 0.08 -0.63 -0.17 -0.80 -2.66 0.00 0.00 176.95 172.77 1f6f s ASN 25 N -3.25 2.29 0.17 -2.66 0.01 -0.82 -4.81 114.94 105.87 1f6f s ASN 25 Ca 0.39 -0.40 -0.31 0.00 -0.71 0.00 0.00 52.86 51.82 1f6f s ASN 25 Cb 0.06 -1.06 -0.17 0.00 0.41 0.00 0.00 41.25 40.49 1f6f s ASN 25 CO 0.16 0.08 0.83 -2.65 -1.51 0.00 0.00 177.10 174.01 1f6f n PRO 26 N 3.70 0.44 -0.17 -0.60 -0.02 -1.26 -3.17 135.00 133.92 1f6f n PRO 26 Ca -0.21 0.16 -0.10 0.00 -2.02 0.00 0.00 63.50 61.32 1f6f n PRO 26 Cb 0.52 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 1f6f n PRO 26 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1f6f h GLY 27 N 2.02 0.99 0.00 -1.23 0.00 -1.94 -3.45 103.07 99.46 1f6f h GLY 27 Ca -0.37 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.18 1f6f h GLY 27 CO 0.62 0.71 0.00 -1.30 0.00 0.00 0.00 176.54 176.57 1f6f n THR 28 N -4.26 0.00 0.00 4.70 -2.24 -1.26 -2.85 114.28 108.37 1f6f n THR 28 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1f6f n THR 28 Cb 0.36 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 1f6f n THR 28 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1f6f n THR 34 N -2.83 0.00 -3.62 4.28 -1.04 -1.26 -5.14 114.28 104.66 1f6f n THR 34 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 1f6f n THR 34 Cb 0.00 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.42 1f6f n THR 34 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1f6f s ASN 35 N 0.00 6.16 -0.20 8.00 2.47 -0.77 -4.92 114.94 125.68 1f6f s ASN 35 Ca 0.00 0.17 -0.12 0.00 0.42 0.00 0.00 52.86 53.33 1f6f s ASN 35 Cb 0.00 -2.12 -0.05 0.00 -1.45 0.00 0.00 41.25 37.63 1f6f s ASN 35 CO 0.00 0.05 0.22 -0.31 -3.72 0.00 0.00 177.10 173.34 1f6f s TYR 36 N 1.09 3.39 0.15 0.43 4.12 -1.26 -2.67 117.35 122.60 1f6f s TYR 36 Ca 0.09 0.41 0.05 0.00 0.02 0.00 0.00 57.07 57.65 1f6f s TYR 36 Cb -0.14 -2.30 -0.04 0.00 -1.52 0.00 0.00 41.96 37.96 1f6f s TYR 36 CO 0.05 0.16 -0.12 -1.54 0.02 0.00 0.00 175.55 174.13 1f6f s SER 37 N 0.70 1.95 -0.06 2.29 1.04 -0.76 -5.00 113.70 113.85 1f6f s SER 37 Ca 0.12 -0.95 0.03 0.00 0.48 0.00 0.00 55.95 55.63 1f6f s SER 37 Cb -0.13 -0.05 0.01 0.00 0.10 0.00 0.00 66.02 65.95 1f6f s SER 37 CO 0.03 -0.25 -0.14 -0.22 0.98 0.00 0.00 173.24 173.64 1f6f s LEU 38 N -2.96 1.75 0.20 2.42 0.20 -1.26 -1.25 118.68 117.78 1f6f s LEU 38 Ca 0.15 -0.33 0.05 0.00 0.69 0.00 0.00 54.13 54.69 1f6f s LEU 38 Cb -0.00 -0.90 -0.05 0.00 -0.43 0.00 0.00 46.19 44.81 1f6f s LEU 38 CO 0.02 0.07 -0.08 0.42 -0.29 0.00 0.00 176.35 176.49 1f6f s THR 39 N 0.48 1.36 0.31 3.68 -4.23 -1.00 -0.22 115.64 116.03 1f6f s THR 39 Ca -0.12 -2.10 -0.15 0.00 -1.18 0.00 0.00 61.69 58.14 1f6f s THR 39 Cb -0.15 -2.12 0.02 0.00 1.34 0.00 0.00 72.50 71.59 1f6f s THR 39 CO 0.04 -0.53 0.65 -0.72 -0.54 0.00 0.00 174.62 173.51 1f6f s TYR 40 N -3.21 0.23 0.28 3.99 1.13 -0.34 -1.96 117.35 117.48 1f6f s TYR 40 Ca 0.23 -0.70 -0.13 0.00 -1.41 0.00 0.00 57.07 55.06 1f6f s TYR 40 Cb 0.03 0.50 0.01 0.00 -1.10 0.00 0.00 41.96 41.40 1f6f s TYR 40 CO 0.06 -1.27 0.56 -1.54 -2.51 0.00 0.00 175.55 170.85 1f6f s SER 41 N -3.04 0.02 -0.07 -0.18 1.04 -1.08 -0.43 113.70 109.97 1f6f s SER 41 Ca 0.18 -0.97 0.01 0.00 0.48 0.00 0.00 55.95 55.65 1f6f s SER 41 Cb -0.04 0.65 -0.03 0.00 0.10 0.00 0.00 66.02 66.71 1f6f s SER 41 CO 0.11 -1.26 -0.08 -0.54 0.98 0.00 0.00 173.24 172.45 1f6f s LYS 42 N -3.68 2.71 0.40 4.02 -0.14 -1.26 -1.15 119.74 120.65 1f6f s LYS 42 Ca 0.21 -0.57 0.21 0.00 -1.36 0.00 0.00 55.97 54.46 1f6f s LYS 42 Cb -0.02 -2.55 1.20 0.00 -1.68 0.00 0.00 37.83 34.77 1f6f s LYS 42 CO 0.10 0.66 1.71 0.93 -0.76 0.00 0.00 175.35 177.99 1f6f h GLU 43 N 5.27 0.28 0.00 1.68 4.39 -1.66 -2.98 114.58 121.57 1f6f h GLU 43 Ca -0.48 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1f6f h GLU 43 Cb 1.17 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1f6f h GLU 43 CO 0.52 0.19 0.00 0.41 -1.16 0.00 0.00 179.01 178.97 1f6f n GLY 44 N -1.46 -2.78 3.93 -3.84 0.00 -1.26 -4.92 105.19 94.86 1f6f n GLY 44 Ca 0.30 0.14 -0.23 0.00 0.00 0.00 0.00 46.02 46.22 1f6f n GLY 44 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1f6f n GLU 45 N -1.63 -0.08 -0.75 1.61 2.13 -1.13 -5.05 120.64 115.75 1f6f n GLU 45 Ca 0.00 -2.78 -0.01 0.00 0.66 0.00 0.00 57.16 55.03 1f6f n GLU 45 Cb 0.00 -0.65 0.24 0.00 0.27 0.00 0.00 31.44 31.31 1f6f n GLU 45 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1f6f n LYS 46 N -2.83 2.63 -3.72 5.31 5.02 -1.26 -4.53 118.16 118.77 1f6f n LYS 46 Ca 0.17 -3.03 -0.37 0.00 -2.02 0.00 0.00 58.31 53.05 1f6f n LYS 46 Cb 0.60 -1.93 -0.06 0.00 -0.02 0.00 0.00 35.03 33.62 1f6f n LYS 46 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1f6f s THR 47 N -3.05 5.31 0.11 -0.18 -1.32 -1.26 -5.10 115.64 110.14 1f6f s THR 47 Ca 0.47 0.47 0.02 0.00 -1.21 0.00 0.00 61.69 61.44 1f6f s THR 47 Cb 0.40 -3.53 -0.04 0.00 -1.51 0.00 0.00 72.50 67.81 1f6f s THR 47 CO 0.07 0.60 0.23 0.28 -2.21 0.00 0.00 174.62 173.59 1f6f s THR 48 N -1.00 5.25 0.10 5.08 -1.32 -1.26 -4.47 115.64 118.03 1f6f s THR 48 Ca 0.18 -0.60 -0.00 0.00 -1.21 0.00 0.00 61.69 60.06 1f6f s THR 48 Cb -0.14 -3.64 -0.04 0.00 -1.51 0.00 0.00 72.50 67.17 1f6f s THR 48 CO 0.08 0.01 0.01 -0.31 -2.21 0.00 0.00 174.62 172.19 1f6f s TYR 49 N -1.63 0.79 0.19 9.09 1.51 0.43 -4.99 117.35 122.73 1f6f s TYR 49 Ca 0.34 -1.12 0.08 0.00 -1.01 0.00 0.00 57.07 55.36 1f6f s TYR 49 Cb -0.12 -0.48 -0.04 0.00 -0.11 0.00 0.00 41.96 41.21 1f6f s TYR 49 CO 0.28 -0.39 -0.02 -2.00 -1.11 0.00 0.00 175.55 172.30 1f6f s GLU 50 N -3.96 2.31 0.08 -0.62 2.56 -1.26 -1.20 118.70 116.61 1f6f s GLU 50 Ca 0.17 -1.18 -0.37 0.00 0.00 0.00 0.00 54.97 53.59 1f6f s GLU 50 Cb 0.07 -2.29 -0.17 0.00 2.00 0.00 0.00 34.13 33.75 1f6f s GLU 50 CO -0.03 0.44 1.32 0.00 -0.56 0.00 0.00 175.26 176.43 1f6f n PRO 52 N 2.45 1.15 -3.15 0.00 -0.04 -1.26 -4.81 135.00 129.34 1f6f n PRO 52 Ca 0.18 -0.36 0.05 0.00 -0.04 0.00 0.00 63.50 63.34 1f6f n PRO 52 Cb 0.18 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.13 1f6f n PRO 52 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1f6f s ASP 53 N -2.10 -0.51 -0.01 3.54 3.68 -1.25 -5.02 116.67 115.00 1f6f s ASP 53 Ca 0.41 0.32 0.22 0.00 2.13 0.00 0.00 52.55 55.63 1f6f s ASP 53 Cb 0.21 1.43 0.64 0.00 -1.45 0.00 0.00 42.92 43.76 1f6f s ASP 53 CO 0.38 -0.09 1.54 -1.22 0.13 0.00 0.00 175.17 175.90 1f6f n TYR 54 N 5.47 1.00 -0.02 -5.34 4.02 -1.26 -1.85 117.16 119.18 1f6f n TYR 54 Ca -0.07 -0.49 -0.03 0.00 -0.01 0.00 0.00 57.90 57.30 1f6f n TYR 54 Cb 0.54 -0.02 -0.01 0.00 -0.02 0.00 0.00 39.34 39.83 1f6f n TYR 54 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1f6f n LYS 55 N 1.59 0.17 0.00 -0.72 4.76 -1.26 -4.63 118.16 118.06 1f6f n LYS 55 Ca 0.24 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.75 1f6f n LYS 55 Cb 0.63 -0.73 0.00 0.00 -1.84 0.00 0.00 35.03 33.09 1f6f n LYS 55 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1f6f n THR 56 N -3.23 0.95 -0.08 -0.18 -2.24 -1.26 -0.82 114.28 107.41 1f6f n THR 56 Ca -0.04 0.43 0.04 0.00 -2.27 0.00 0.00 64.05 62.20 1f6f n THR 56 Cb 0.17 -1.43 0.10 0.00 -2.10 0.00 0.00 70.33 67.07 1f6f n THR 56 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1f6f n SER 57 N -1.20 2.58 0.00 3.42 2.88 -1.26 -5.06 113.62 114.97 1f6f n SER 57 Ca 0.00 -1.94 0.00 0.00 -1.33 0.00 0.00 58.87 55.60 1f6f n SER 57 Cb 0.19 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 1f6f n SER 57 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1f6f n GLY 58 N 0.25 -1.26 3.63 0.46 0.00 -0.00 -4.77 105.19 103.50 1f6f n GLY 58 Ca 0.08 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 1f6f n GLY 58 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1f6f n PRO 59 N -1.23 1.35 -2.13 1.61 -0.04 -1.26 -3.26 135.00 130.04 1f6f n PRO 59 Ca 0.00 0.49 -0.21 0.00 -0.04 0.00 0.00 63.50 63.75 1f6f n PRO 59 Cb 0.00 -2.17 -0.04 0.00 -0.04 0.00 0.00 33.50 31.26 1f6f n PRO 59 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1f6f n ASN 60 N 0.03 -5.71 -4.30 3.54 3.02 -1.26 -4.94 115.26 105.63 1f6f n ASN 60 Ca 0.10 0.17 -0.16 0.00 -0.03 0.00 0.00 54.58 54.66 1f6f n ASN 60 Cb 0.42 -4.85 -0.10 0.00 -0.61 0.00 0.00 39.78 34.63 1f6f n ASN 60 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1f6f s SER 61 N -2.28 1.39 -0.07 6.41 1.04 -1.20 -2.16 113.70 116.82 1f6f s SER 61 Ca 0.00 -1.29 0.01 0.00 0.48 0.00 0.00 55.95 55.15 1f6f s SER 61 Cb 0.00 0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.24 1f6f s SER 61 CO 0.00 -0.63 -0.09 0.00 0.98 0.00 0.00 173.24 173.49 1f6f s PHE 63 N 0.92 3.12 -0.31 0.00 5.36 -0.77 -2.11 117.98 124.19 1f6f s PHE 63 Ca -0.10 -0.04 -0.03 0.00 -0.96 0.00 0.00 56.93 55.79 1f6f s PHE 63 Cb -0.15 -1.92 0.05 0.00 -0.34 0.00 0.00 43.02 40.66 1f6f s PHE 63 CO 0.01 0.19 0.03 -0.06 -1.46 0.00 0.00 175.22 173.92 1f6f s PHE 64 N -0.09 3.25 0.43 10.12 0.40 -0.41 -3.96 117.98 127.73 1f6f s PHE 64 Ca 0.04 -1.72 -0.07 0.00 -0.60 0.00 0.00 56.93 54.58 1f6f s PHE 64 Cb -0.13 -2.16 0.10 0.00 0.51 0.00 0.00 43.02 41.35 1f6f s PHE 64 CO 0.02 -0.78 0.52 -1.13 0.70 0.00 0.00 175.22 174.56 1f6f n SER 65 N 4.68 -0.37 -0.06 1.36 3.41 -1.26 -2.64 113.62 118.75 1f6f n SER 65 Ca -0.13 -1.08 0.06 0.00 -0.26 0.00 0.00 58.87 57.46 1f6f n SER 65 Cb 0.44 -0.42 0.42 0.00 -0.26 0.00 0.00 64.21 64.39 1f6f n SER 65 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1f6f h LYS 66 N 0.00 0.58 0.00 4.33 1.57 -1.92 -1.56 116.57 119.56 1f6f h LYS 66 Ca -0.18 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 1f6f h LYS 66 Cb 0.50 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1f6f h LYS 66 CO 0.12 0.38 -0.14 0.37 -0.57 0.00 0.00 179.45 179.61 1f6f h GLN 67 N 0.59 0.00 -0.23 3.15 4.15 -1.91 -3.16 115.11 117.70 1f6f h GLN 67 Ca 0.21 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.63 1f6f h GLN 67 Cb 0.11 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.80 1f6f h GLN 67 CO -0.06 0.14 0.00 0.66 -1.93 0.00 0.00 178.83 177.65 1f6f n TYR 68 N -3.90 0.30 -4.32 3.99 4.02 -0.65 -4.99 117.16 111.62 1f6f n TYR 68 Ca -0.02 -0.42 -0.34 0.00 -0.01 0.00 0.00 57.90 57.11 1f6f n TYR 68 Cb 0.24 -0.03 -0.12 0.00 -0.02 0.00 0.00 39.34 39.42 1f6f n TYR 68 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1f6f s THR 69 N -0.96 4.09 -0.01 -0.72 2.01 -0.84 -4.88 115.64 114.32 1f6f s THR 69 Ca 0.17 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.88 1f6f s THR 69 Cb 0.09 -2.80 0.01 0.00 0.01 0.00 0.00 72.50 69.81 1f6f s THR 69 CO 0.12 0.49 -0.00 -0.55 -0.69 0.00 0.00 174.62 173.98 1f6f s SER 70 N 0.36 0.21 -0.11 3.53 0.15 -1.26 -4.93 113.70 111.64 1f6f s SER 70 Ca -0.03 -0.01 0.14 0.00 0.70 0.00 0.00 55.95 56.75 1f6f s SER 70 Cb -0.14 -0.08 0.59 0.00 -1.71 0.00 0.00 66.02 64.68 1f6f s SER 70 CO 0.02 -0.04 1.46 2.30 1.20 0.00 0.00 173.24 178.18 1f6f n ILE 71 N 3.55 1.62 0.26 6.45 -5.35 -1.26 -4.20 119.36 120.43 1f6f n ILE 71 Ca -0.19 -0.97 0.05 0.00 -0.27 0.00 0.00 62.75 61.37 1f6f n ILE 71 Cb 0.55 -0.05 0.07 0.00 -1.74 0.00 0.00 39.64 38.46 1f6f n ILE 71 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 1f6f n TRP 72 N 0.76 0.11 -3.76 4.28 7.02 -1.26 -4.92 117.44 119.66 1f6f n TRP 72 Ca 0.21 -0.13 -0.10 0.00 -1.02 0.00 0.00 57.50 56.45 1f6f n TRP 72 Cb 0.80 -0.01 -0.07 0.00 -2.42 0.00 0.00 31.31 29.61 1f6f n TRP 72 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1f6f s LYS 73 N -0.86 0.88 -0.09 -0.99 1.02 -1.26 -5.09 119.74 113.34 1f6f s LYS 73 Ca 0.14 -0.72 -0.20 0.00 0.02 0.00 0.00 55.97 55.20 1f6f s LYS 73 Cb 0.09 0.37 -0.04 0.00 -0.52 0.00 0.00 37.83 37.73 1f6f s LYS 73 CO 0.13 -0.30 0.56 0.42 -0.92 0.00 0.00 175.35 175.24 1f6f s ILE 74 N -3.33 5.13 -0.09 2.17 1.01 -1.26 -4.68 121.20 120.14 1f6f s ILE 74 Ca 0.01 1.14 -0.14 0.00 0.00 0.00 0.00 60.65 61.66 1f6f s ILE 74 Cb 0.02 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.54 1f6f s ILE 74 CO -0.08 0.30 0.34 -0.31 0.00 0.00 0.00 174.94 175.19 1f6f s TYR 75 N 0.65 3.59 -0.49 3.97 1.51 0.12 -1.55 117.35 125.15 1f6f s TYR 75 Ca 0.30 0.78 -0.05 0.00 -1.01 0.00 0.00 57.07 57.09 1f6f s TYR 75 Cb -0.16 -2.30 0.13 0.00 -0.11 0.00 0.00 41.96 39.52 1f6f s TYR 75 CO 0.13 0.45 0.32 0.42 -1.11 0.00 0.00 175.55 175.76 1f6f s ILE 76 N -0.30 3.75 -0.06 2.71 1.01 -0.30 -0.41 121.20 127.60 1f6f s ILE 76 Ca 0.20 -2.17 -0.11 0.00 0.00 0.00 0.00 60.65 58.58 1f6f s ILE 76 Cb -0.15 -3.50 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 1f6f s ILE 76 CO 0.08 -0.77 0.27 -0.63 0.00 0.00 0.00 174.94 173.89 1f6f s ILE 77 N 0.94 5.28 -0.11 2.92 1.01 0.57 -2.65 121.20 129.16 1f6f s ILE 77 Ca 0.10 0.51 -0.08 0.00 0.00 0.00 0.00 60.65 61.17 1f6f s ILE 77 Cb -0.23 -3.55 0.04 0.00 0.01 0.00 0.00 42.46 38.73 1f6f s ILE 77 CO -0.03 0.60 0.28 0.42 0.00 0.00 0.00 174.94 176.21 1f6f s THR 78 N -1.06 -0.02 -0.08 2.92 -4.23 -0.83 -0.35 115.64 112.00 1f6f s THR 78 Ca 0.19 0.06 -0.11 0.00 -1.18 0.00 0.00 61.69 60.65 1f6f s THR 78 Cb -0.14 -0.41 -0.05 0.00 1.34 0.00 0.00 72.50 73.24 1f6f s THR 78 CO 0.09 0.02 0.26 -0.69 -0.54 0.00 0.00 174.62 173.75 1f6f s VAL 79 N 0.62 5.30 0.12 2.29 1.01 -1.26 -2.39 120.40 126.09 1f6f s VAL 79 Ca -0.04 0.48 0.10 0.00 0.00 0.00 0.00 61.98 62.53 1f6f s VAL 79 Cb -0.05 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1f6f s VAL 79 CO -0.04 0.58 -0.24 0.20 0.00 0.00 0.00 175.10 175.60 1f6f s ASN 80 N -0.91 3.48 -0.04 3.32 0.01 -0.38 -1.86 114.94 118.56 1f6f s ASN 80 Ca 0.18 -0.68 0.00 0.00 -0.71 0.00 0.00 52.86 51.65 1f6f s ASN 80 Cb -0.14 -0.32 0.03 0.00 0.41 0.00 0.00 41.25 41.22 1f6f s ASN 80 CO 0.08 0.18 -0.00 0.00 -1.51 0.00 0.00 177.10 175.85 1f6f s ALA 81 N -1.07 0.40 -0.26 0.60 0.00 -1.26 -1.83 121.76 118.34 1f6f s ALA 81 Ca 0.15 0.10 -0.02 0.00 0.00 0.00 0.00 51.96 52.19 1f6f s ALA 81 Cb -0.10 -0.41 0.08 0.00 0.00 0.00 0.00 23.12 22.70 1f6f s ALA 81 CO 0.07 -0.14 0.08 0.95 0.00 0.00 0.00 175.76 176.72 1f6f s THR 82 N 1.20 0.52 0.00 0.00 -4.23 -1.09 -4.82 115.64 107.22 1f6f s THR 82 Ca -0.07 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 1f6f s THR 82 Cb -0.13 -1.27 0.00 0.00 1.34 0.00 0.00 72.50 72.44 1f6f s THR 82 CO -0.02 -0.51 0.00 -0.24 -0.54 0.00 0.00 174.62 173.31 1f6f n SER 88 N 5.02 -0.29 -3.31 3.99 2.88 -1.26 -1.84 113.62 118.81 1f6f n SER 88 Ca -0.05 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.20 1f6f n SER 88 Cb 0.44 -0.10 0.26 0.00 -0.75 0.00 0.00 64.21 64.06 1f6f n SER 88 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1f6f n SER 89 N -0.19 -3.37 -4.39 -3.46 7.64 -1.26 -4.59 113.62 104.00 1f6f n SER 89 Ca 0.00 -0.94 -0.28 0.00 1.01 0.00 0.00 58.87 58.67 1f6f n SER 89 Cb 0.07 -0.94 -0.05 0.00 -1.01 0.00 0.00 64.21 62.28 1f6f n SER 89 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1f6f n SER 90 N -5.37 3.10 -4.71 6.43 3.41 -0.78 -4.47 113.62 111.22 1f6f n SER 90 Ca 0.13 -2.90 -0.42 0.00 -0.26 0.00 0.00 58.87 55.42 1f6f n SER 90 Cb 0.56 0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.72 1f6f n SER 90 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1f6f s ASP 91 N -3.54 7.12 0.34 4.04 1.01 -1.26 -4.81 116.67 119.56 1f6f s ASP 91 Ca 0.06 1.99 -0.29 0.00 0.71 0.00 0.00 52.55 55.02 1f6f s ASP 91 Cb -0.00 -2.58 -0.11 0.00 1.01 0.00 0.00 42.92 41.23 1f6f s ASP 91 CO 0.04 -0.43 1.53 -2.16 0.21 0.00 0.00 175.17 174.35 1f6f s PRO 92 N 0.93 4.12 -0.07 8.23 0.04 -1.26 -4.85 135.00 142.14 1f6f s PRO 92 Ca 0.57 2.57 0.03 0.00 0.04 0.00 0.00 61.00 64.21 1f6f s PRO 92 Cb -0.29 -2.99 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 1f6f s PRO 92 CO 0.30 -0.57 -0.14 -1.17 0.04 0.00 0.00 177.00 175.45 1f6f s LEU 93 N -1.39 2.72 -0.25 -3.56 2.96 0.52 -4.95 118.68 114.73 1f6f s LEU 93 Ca 0.57 -0.23 -0.08 0.00 -0.22 0.00 0.00 54.13 54.17 1f6f s LEU 93 Cb -0.47 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 1f6f s LEU 93 CO 0.56 0.30 0.10 -0.31 -1.32 0.00 0.00 176.35 175.69 1f6f s TYR 94 N -0.47 3.15 -0.06 5.38 1.51 -1.26 -0.32 117.35 125.29 1f6f s TYR 94 Ca 0.06 -0.20 0.05 0.00 -1.01 0.00 0.00 57.07 55.97 1f6f s TYR 94 Cb -0.12 -2.25 -0.00 0.00 -0.11 0.00 0.00 41.96 39.47 1f6f s TYR 94 CO 0.02 -0.23 -0.21 0.08 -1.11 0.00 0.00 175.55 174.10 1f6f s VAL 95 N 1.47 1.73 -0.23 0.71 1.01 0.45 -4.95 120.40 120.58 1f6f s VAL 95 Ca 0.06 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.19 1f6f s VAL 95 Cb -0.15 -1.48 0.05 0.00 0.00 0.00 0.00 36.38 34.80 1f6f s VAL 95 CO 0.05 0.49 -0.14 -0.62 0.00 0.00 0.00 175.10 174.88 1f6f s ASP 96 N 0.04 4.01 0.59 3.32 -1.08 -1.26 -0.70 116.67 121.59 1f6f s ASP 96 Ca -0.06 -1.15 0.29 0.00 -0.52 0.00 0.00 52.55 51.10 1f6f s ASP 96 Cb -0.13 -1.51 1.56 0.00 -1.46 0.00 0.00 42.92 41.37 1f6f s ASP 96 CO 0.04 -0.13 1.99 0.58 0.52 0.00 0.00 175.17 178.17 1f6f h VAL 97 N 6.50 0.41 0.00 1.11 2.07 -1.83 -1.48 116.25 123.03 1f6f h VAL 97 Ca -0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1f6f h VAL 97 Cb 1.07 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1f6f h VAL 97 CO 0.51 0.00 0.00 0.35 0.02 0.00 0.00 177.57 178.45 1f6f n THR 98 N -3.74 0.22 0.49 2.57 -2.24 -1.26 -3.39 114.28 106.93 1f6f n THR 98 Ca 0.05 0.02 0.09 0.00 -2.27 0.00 0.00 64.05 61.94 1f6f n THR 98 Cb 0.50 -0.60 0.12 0.00 -2.10 0.00 0.00 70.33 68.26 1f6f n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1f6f n TYR 99 N -1.58 0.20 -1.30 4.78 4.02 -0.56 -4.51 117.16 118.22 1f6f n TYR 99 Ca 0.06 -0.13 0.08 0.00 -0.01 0.00 0.00 57.90 57.90 1f6f n TYR 99 Cb 0.32 -0.00 0.18 0.00 -0.02 0.00 0.00 39.34 39.81 1f6f n TYR 99 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 1f6f n ILE 100 N 1.08 2.07 -2.62 -0.72 -5.35 -1.22 -4.55 119.36 108.05 1f6f n ILE 100 Ca 0.13 -2.66 -0.42 0.00 -0.27 0.00 0.00 62.75 59.53 1f6f n ILE 100 Cb 0.48 -0.25 -0.03 0.00 -1.74 0.00 0.00 39.64 38.11 1f6f n ILE 100 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1f6f s VAL 101 N -3.04 4.61 -0.42 7.28 1.01 -1.26 -1.35 120.40 127.24 1f6f s VAL 101 Ca 0.36 1.87 0.02 0.00 0.00 0.00 0.00 61.98 64.23 1f6f s VAL 101 Cb 0.33 -4.20 0.13 0.00 0.00 0.00 0.00 36.38 32.64 1f6f s VAL 101 CO -0.01 0.12 0.22 -0.70 0.00 0.00 0.00 175.10 174.73 1f6f s GLU 102 N 1.23 1.15 0.15 2.72 2.12 -0.77 -1.50 118.70 123.80 1f6f s GLU 102 Ca 0.53 -1.84 -0.02 0.00 0.36 0.00 0.00 54.97 54.00 1f6f s GLU 102 Cb -0.23 -2.19 0.04 0.00 0.26 0.00 0.00 34.13 32.01 1f6f s GLU 102 CO 0.27 -1.15 0.08 -0.35 -0.54 0.00 0.00 175.26 173.57 1f6f n PRO 103 N 3.73 -1.82 -4.05 4.30 -0.04 -1.26 -4.64 135.00 131.22 1f6f n PRO 103 Ca 0.08 -0.14 -0.27 0.00 -0.04 0.00 0.00 63.50 63.13 1f6f n PRO 103 Cb 0.35 -0.19 -0.05 0.00 -0.04 0.00 0.00 33.50 33.57 1f6f n PRO 103 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1f6f s GLU 104 N -2.88 3.00 0.78 0.54 0.41 -1.26 -4.52 118.70 114.77 1f6f s GLU 104 Ca 0.06 -0.80 -0.15 0.00 -0.41 0.00 0.00 54.97 53.67 1f6f s GLU 104 Cb -0.01 -2.71 0.01 0.00 -1.78 0.00 0.00 34.13 29.63 1f6f s GLU 104 CO 0.05 0.50 0.71 -2.30 -0.49 0.00 0.00 175.26 173.74 1f6f n PRO 105 N -0.32 0.20 -0.88 0.39 -0.02 -1.26 -4.65 135.00 128.46 1f6f n PRO 105 Ca -0.08 0.12 -0.30 0.00 -2.02 0.00 0.00 63.50 61.22 1f6f n PRO 105 Cb 0.54 -2.02 0.17 0.00 -0.02 0.00 0.00 33.50 32.17 1f6f n PRO 105 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1f6f s PRO 106 N -3.29 0.66 0.37 0.52 0.02 -1.26 -4.45 135.00 127.57 1f6f s PRO 106 Ca 0.67 1.06 0.03 0.00 0.02 0.00 0.00 61.00 62.78 1f6f s PRO 106 Cb -0.31 -1.72 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 1f6f s PRO 106 CO 0.57 -2.72 0.10 -0.98 -0.33 0.00 0.00 177.00 173.63 1f6f s ARG 107 N -4.72 1.81 -1.26 5.54 1.70 0.43 -4.84 118.95 117.60 1f6f s ARG 107 Ca 0.66 -2.07 -0.06 0.00 -0.47 0.00 0.00 55.73 53.79 1f6f s ARG 107 Cb -0.21 -0.73 0.01 0.00 -0.57 0.00 0.00 34.95 33.45 1f6f s ARG 107 CO 0.59 -0.36 1.09 0.09 -1.08 0.00 0.00 175.30 175.64 1f6f n ASN 108 N -1.03 -4.77 -4.63 -2.89 3.02 -1.26 -0.21 115.26 103.49 1f6f n ASN 108 Ca -0.05 -0.55 -0.43 0.00 -0.03 0.00 0.00 54.58 53.52 1f6f n ASN 108 Cb 0.66 -4.94 -0.02 0.00 -0.61 0.00 0.00 39.78 34.87 1f6f n ASN 108 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1f6f s LEU 109 N -6.81 3.93 0.02 3.41 2.96 -1.26 -4.32 118.68 116.60 1f6f s LEU 109 Ca 0.37 1.57 0.08 0.00 -0.22 0.00 0.00 54.13 55.93 1f6f s LEU 109 Cb -0.16 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 1f6f s LEU 109 CO 0.71 -1.18 -0.25 0.42 -1.32 0.00 0.00 176.35 174.73 1f6f s THR 110 N 4.88 1.98 -0.08 3.68 -4.23 0.14 -5.00 115.64 117.00 1f6f s THR 110 Ca 0.67 -1.22 0.04 0.00 -1.18 0.00 0.00 61.69 60.00 1f6f s THR 110 Cb -0.23 -1.67 0.00 0.00 1.34 0.00 0.00 72.50 71.94 1f6f s THR 110 CO 0.27 0.41 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.81 1f6f s LEU 111 N -0.96 1.92 -0.01 4.79 1.02 -1.26 -1.48 118.68 122.70 1f6f s LEU 111 Ca 0.10 -0.45 0.00 0.00 0.02 0.00 0.00 54.13 53.80 1f6f s LEU 111 Cb -0.10 -1.17 0.02 0.00 0.02 0.00 0.00 46.19 44.96 1f6f s LEU 111 CO 0.01 0.12 0.01 -0.70 0.02 0.00 0.00 176.35 175.80 1f6f s GLU 112 N 0.41 0.07 0.19 1.70 2.12 -0.84 -5.01 118.70 117.35 1f6f s GLU 112 Ca -0.16 0.07 -0.26 0.00 0.36 0.00 0.00 54.97 54.98 1f6f s GLU 112 Cb -0.17 -0.21 -0.08 0.00 0.26 0.00 0.00 34.13 33.93 1f6f s GLU 112 CO 0.06 -0.08 0.81 0.08 -0.54 0.00 0.00 175.26 175.59 1f6f s VAL 113 N 0.57 4.32 0.00 3.70 1.01 -1.26 -1.28 120.40 127.46 1f6f s VAL 113 Ca -0.05 1.75 0.00 0.00 0.00 0.00 0.00 61.98 63.68 1f6f s VAL 113 Cb -0.07 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1f6f s VAL 113 CO -0.01 0.49 0.00 0.29 0.00 0.00 0.00 175.10 175.86 1f6f n LYS 114 N 1.49 0.00 0.00 2.72 4.76 -0.74 -4.96 118.16 121.43 1f6f n LYS 114 Ca -0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 1f6f n LYS 114 Cb 0.49 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.68 1f6f n LYS 114 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1f6f n LYS 120 N 0.00 0.00 -3.42 1.97 5.02 -1.26 -1.26 118.16 119.21 1f6f n LYS 120 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1f6f n LYS 120 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1f6f n LYS 120 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1f6f s THR 121 N -4.42 -0.97 0.16 -0.18 2.01 -1.26 -5.17 115.64 105.81 1f6f s THR 121 Ca 0.00 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.04 1f6f s THR 121 Cb 0.00 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.49 1f6f s THR 121 CO 0.00 -0.00 -0.05 -0.72 -0.69 0.00 0.00 174.62 173.16 1f6f s TYR 122 N 2.85 1.21 -0.27 4.92 -0.85 -0.39 -4.49 117.35 120.34 1f6f s TYR 122 Ca 0.07 -0.89 -0.14 0.00 -0.52 0.00 0.00 57.07 55.59 1f6f s TYR 122 Cb -0.13 -0.67 -0.04 0.00 0.38 0.00 0.00 41.96 41.50 1f6f s TYR 122 CO -0.19 -0.07 0.34 -1.17 -1.52 0.00 0.00 175.55 172.94 1f6f s LEU 123 N -3.16 4.04 -0.33 -3.49 2.96 -0.75 -1.80 118.68 116.16 1f6f s LEU 123 Ca 0.19 0.25 -0.18 0.00 -0.22 0.00 0.00 54.13 54.18 1f6f s LEU 123 Cb 0.05 -2.38 -0.01 0.00 0.50 0.00 0.00 46.19 44.34 1f6f s LEU 123 CO 0.02 -0.16 0.50 0.86 -1.32 0.00 0.00 176.35 176.25 1f6f s TRP 124 N 1.97 3.20 -0.16 5.38 -0.11 -0.40 -2.75 118.94 126.06 1f6f s TRP 124 Ca 0.14 0.28 -0.06 0.00 1.22 0.00 0.00 56.10 57.68 1f6f s TRP 124 Cb -0.16 -2.86 -0.04 0.00 -1.50 0.00 0.00 33.47 28.92 1f6f s TRP 124 CO 0.10 -0.47 0.02 0.08 -4.62 0.00 0.00 176.95 172.07 1f6f s VAL 125 N 2.35 4.46 -0.01 5.86 1.01 -0.91 -1.98 120.40 131.19 1f6f s VAL 125 Ca 0.19 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.02 1f6f s VAL 125 Cb -0.15 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1f6f s VAL 125 CO 0.12 0.49 -0.02 -0.54 0.00 0.00 0.00 175.10 175.16 1f6f s LYS 126 N 0.19 0.20 0.29 2.72 1.02 -0.55 -1.92 119.74 121.69 1f6f s LYS 126 Ca 0.02 -0.05 0.07 0.00 0.02 0.00 0.00 55.97 56.03 1f6f s LYS 126 Cb -0.13 -0.24 -0.03 0.00 -0.52 0.00 0.00 37.83 36.92 1f6f s LYS 126 CO 0.01 0.02 0.25 -2.67 -0.92 0.00 0.00 175.35 172.04 1f6f n TRP 127 N 3.23 -0.71 -4.02 3.18 2.14 -1.14 -0.69 117.44 119.43 1f6f n TRP 127 Ca -0.15 -2.49 -0.08 0.00 2.07 0.00 0.00 57.50 56.84 1f6f n TRP 127 Cb 0.57 0.26 -0.10 0.00 -0.81 0.00 0.00 31.31 31.23 1f6f n TRP 127 CO 0.00 0.00 0.00 -1.12 2.07 0.00 0.00 177.69 178.64 1f6f s SER 128 N -3.07 0.33 0.81 -0.67 0.01 0.71 -4.84 113.70 106.98 1f6f s SER 128 Ca 0.35 -0.69 -0.12 0.00 1.31 0.00 0.00 55.95 56.81 1f6f s SER 128 Cb 0.02 0.15 0.08 0.00 0.21 0.00 0.00 66.02 66.48 1f6f s SER 128 CO 0.25 -0.43 1.13 -2.16 0.41 0.00 0.00 173.24 172.44 1f6f s PRO 129 N -2.49 1.96 0.15 12.44 0.04 -1.26 -0.43 135.00 145.41 1f6f s PRO 129 Ca -0.06 0.35 0.10 0.00 0.04 0.00 0.00 61.00 61.43 1f6f s PRO 129 Cb -0.02 -1.93 -0.14 0.00 0.04 0.00 0.00 34.50 32.45 1f6f s PRO 129 CO -0.05 -1.64 1.27 -1.35 0.04 0.00 0.00 177.00 175.27 1f6f h PRO 130 N -1.10 0.00 -7.33 0.56 0.11 -1.83 -3.40 132.00 119.02 1f6f h PRO 130 Ca -0.47 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.14 1f6f h PRO 130 Cb 1.30 0.00 0.14 0.00 0.11 0.00 0.00 31.00 32.55 1f6f h PRO 130 CO 0.63 0.82 0.28 0.95 -0.21 0.00 0.00 178.00 180.47 1f6f s THR 141 N -2.77 2.96 0.07 -1.15 -4.23 -1.26 -4.97 115.64 104.29 1f6f s THR 141 Ca 0.01 0.31 -0.16 0.00 -1.18 0.00 0.00 61.69 60.68 1f6f s THR 141 Cb 0.09 -2.80 0.03 0.00 1.34 0.00 0.00 72.50 71.16 1f6f s THR 141 CO 0.80 -0.41 0.36 -0.04 -0.54 0.00 0.00 174.62 174.80 1f6f s MET 142 N -4.93 0.92 0.22 3.99 1.00 -1.26 -3.89 119.30 115.35 1f6f s MET 142 Ca 0.62 -0.54 0.05 0.00 0.00 0.00 0.00 55.69 55.83 1f6f s MET 142 Cb -0.17 0.40 -0.03 0.00 0.00 0.00 0.00 34.83 35.03 1f6f s MET 142 CO 0.56 -0.32 0.29 -1.21 0.00 0.00 0.00 175.02 174.35 1f6f s GLU 143 N -2.94 3.28 0.27 2.03 2.02 -0.90 -4.38 118.70 118.08 1f6f s GLU 143 Ca -0.02 -0.81 0.02 0.00 0.02 0.00 0.00 54.97 54.18 1f6f s GLU 143 Cb 0.00 -2.81 -0.05 0.00 0.10 0.00 0.00 34.13 31.37 1f6f s GLU 143 CO -0.06 0.44 0.07 0.71 0.02 0.00 0.00 175.26 176.44 1f6f s TYR 144 N -1.96 1.63 -0.18 1.61 2.02 -0.34 -2.28 117.35 117.85 1f6f s TYR 144 Ca 0.34 -1.08 -0.07 0.00 -0.37 0.00 0.00 57.07 55.89 1f6f s TYR 144 Cb -0.09 -0.98 0.08 0.00 -0.40 0.00 0.00 41.96 40.57 1f6f s TYR 144 CO 0.28 -0.20 0.39 -1.21 -1.57 0.00 0.00 175.55 173.24 1f6f s GLU 145 N -3.97 0.30 0.17 -0.62 2.02 -0.85 -1.98 118.70 113.76 1f6f s GLU 145 Ca 0.35 0.97 0.06 0.00 0.02 0.00 0.00 54.97 56.37 1f6f s GLU 145 Cb 0.08 0.24 -0.04 0.00 0.10 0.00 0.00 34.13 34.51 1f6f s GLU 145 CO 0.13 -0.25 0.05 0.96 0.02 0.00 0.00 175.26 176.17 1f6f s ILE 146 N 2.48 4.02 -0.02 -1.63 -4.36 -1.03 -1.08 121.20 119.58 1f6f s ILE 146 Ca -0.02 -1.28 -0.09 0.00 -0.26 0.00 0.00 60.65 59.00 1f6f s ILE 146 Cb -0.12 -3.03 0.01 0.00 1.25 0.00 0.00 42.46 40.57 1f6f s ILE 146 CO -0.12 -0.10 0.20 0.00 0.24 0.00 0.00 174.94 175.16 1f6f s ARG 147 N -2.98 0.48 -0.11 0.37 1.70 -0.46 -1.27 118.95 116.67 1f6f s ARG 147 Ca 0.29 -0.18 -0.06 0.00 -0.47 0.00 0.00 55.73 55.31 1f6f s ARG 147 Cb -0.10 0.21 0.05 0.00 -0.57 0.00 0.00 34.95 34.54 1f6f s ARG 147 CO 0.20 -0.11 0.27 -0.48 -1.08 0.00 0.00 175.30 174.10 1f6f s LEU 148 N -1.02 0.37 0.00 -1.89 2.34 -1.17 -1.11 118.68 116.20 1f6f s LEU 148 Ca -0.11 0.58 0.00 0.00 0.06 0.00 0.00 54.13 54.66 1f6f s LEU 148 Cb -0.06 0.83 0.00 0.00 -0.56 0.00 0.00 46.19 46.40 1f6f s LEU 148 CO 0.02 -0.17 0.00 1.17 -1.06 0.00 0.00 176.35 176.31 1f6f n LYS 149 N 4.17 3.98 -0.89 1.48 0.00 -0.80 -3.25 118.16 122.83 1f6f n LYS 149 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.07 1f6f n LYS 149 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.57 1f6f n LYS 149 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1f6f n GLU 155 N 0.00 -1.25 -4.45 1.64 1.02 -1.26 -4.49 120.64 111.86 1f6f n GLU 155 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 1f6f n GLU 155 Cb 0.00 -1.36 -0.10 0.00 -0.02 0.00 0.00 31.44 29.96 1f6f n GLU 155 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1f6f s TRP 156 N -0.54 2.20 -0.50 -0.32 0.52 -1.26 -5.10 118.94 113.95 1f6f s TRP 156 Ca 0.00 -0.37 -0.16 0.00 0.02 0.00 0.00 56.10 55.59 1f6f s TRP 156 Cb 0.00 -0.97 0.09 0.00 -1.15 0.00 0.00 33.47 31.43 1f6f s TRP 156 CO 0.00 0.65 0.46 -2.00 0.02 0.00 0.00 176.95 176.08 1f6f s GLU 157 N -3.44 3.00 0.37 4.98 2.12 -1.20 -4.95 118.70 119.57 1f6f s GLU 157 Ca 0.28 -1.39 -0.24 0.00 0.36 0.00 0.00 54.97 53.98 1f6f s GLU 157 Cb -0.05 -4.18 -0.10 0.00 0.26 0.00 0.00 34.13 30.06 1f6f s GLU 157 CO 0.13 -1.15 0.95 0.42 -0.54 0.00 0.00 175.26 175.08 1f6f s ILE 158 N 1.79 4.27 -0.27 -3.70 -1.09 -1.26 -3.04 121.20 117.89 1f6f s ILE 158 Ca 0.05 1.68 -0.04 0.00 -2.23 0.00 0.00 60.65 60.12 1f6f s ILE 158 Cb -0.25 -3.84 0.09 0.00 -1.58 0.00 0.00 42.46 36.88 1f6f s ILE 158 CO 0.06 -0.05 0.11 -1.00 -1.23 0.00 0.00 174.94 172.84 1f6f s HIS 159 N -1.84 0.56 0.08 3.97 3.76 -0.39 -5.00 115.29 116.43 1f6f s HIS 159 Ca 0.55 -0.94 -0.31 0.00 -0.15 0.00 0.00 55.06 54.22 1f6f s HIS 159 Cb -0.15 -1.01 -0.07 0.00 1.11 0.00 0.00 32.58 32.46 1f6f s HIS 159 CO 0.20 -0.78 1.34 0.12 -0.85 0.00 0.00 174.74 174.77 1f6f s PHE 160 N 2.02 3.23 -0.83 1.40 2.19 -1.26 -2.46 117.98 122.26 1f6f s PHE 160 Ca 0.08 1.02 0.08 0.00 0.33 0.00 0.00 56.93 58.44 1f6f s PHE 160 Cb -0.16 -3.61 0.02 0.00 -1.31 0.00 0.00 43.02 37.96 1f6f s PHE 160 CO -0.30 -2.11 0.63 0.25 1.83 0.00 0.00 175.22 175.52 1f6f n THR 161 N 4.05 0.00 -0.14 0.12 -2.24 -0.84 -5.00 114.28 110.24 1f6f n THR 161 Ca 0.11 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1f6f n THR 161 Cb 0.44 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1f6f n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1f6f n GLY 162 N 0.68 2.07 0.45 3.38 0.00 -1.24 -2.94 105.19 107.59 1f6f n GLY 162 Ca 0.04 -0.38 0.13 0.00 0.00 0.00 0.00 46.02 45.80 1f6f n GLY 162 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1f6f n HIS 163 N 13.08 0.00 -2.11 1.61 8.25 -1.26 -1.19 115.22 133.60 1f6f n HIS 163 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 1f6f n HIS 163 Cb 0.00 -0.05 0.02 0.00 1.12 0.00 0.00 29.99 31.08 1f6f n HIS 163 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1f6f s GLN 164 N -2.32 3.17 -0.07 -0.41 -0.21 -1.15 -4.95 119.66 113.73 1f6f s GLN 164 Ca 0.27 1.77 0.10 0.00 0.02 0.00 0.00 55.36 57.52 1f6f s GLN 164 Cb 0.19 -2.01 0.19 0.00 1.00 0.00 0.00 33.01 32.38 1f6f s GLN 164 CO 0.46 -1.03 1.12 0.25 -2.12 0.00 0.00 175.29 173.97 1f6f n THR 165 N -1.37 1.48 -3.82 -0.19 -2.24 -1.26 -4.77 114.28 102.11 1f6f n THR 165 Ca 0.12 -1.61 -0.12 0.00 -2.27 0.00 0.00 64.05 60.17 1f6f n THR 165 Cb 0.50 0.12 -0.10 0.00 -2.10 0.00 0.00 70.33 68.75 1f6f n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f6f s GLN 166 N -1.95 0.51 -0.14 -0.78 -2.07 -1.26 -2.90 119.66 111.07 1f6f s GLN 166 Ca 0.19 -0.18 -0.10 0.00 -1.82 0.00 0.00 55.36 53.45 1f6f s GLN 166 Cb 0.16 0.22 0.05 0.00 -1.09 0.00 0.00 33.01 32.34 1f6f s GLN 166 CO 0.03 -0.12 0.35 0.12 -1.32 0.00 0.00 175.29 174.35 1f6f s PHE 167 N -1.07 -0.45 -0.10 9.60 5.36 -0.81 -5.02 117.98 125.48 1f6f s PHE 167 Ca -0.11 1.04 -0.11 0.00 -0.96 0.00 0.00 56.93 56.79 1f6f s PHE 167 Cb -0.06 0.16 -0.05 0.00 -0.34 0.00 0.00 43.02 42.74 1f6f s PHE 167 CO 0.02 -0.25 0.24 0.15 -1.46 0.00 0.00 175.22 173.92 1f6f s LYS 168 N 0.85 3.79 -0.11 10.12 1.02 -1.26 -2.14 119.74 132.01 1f6f s LYS 168 Ca -0.05 0.05 0.00 0.00 0.02 0.00 0.00 55.97 55.99 1f6f s LYS 168 Cb -0.06 -3.26 0.02 0.00 -0.52 0.00 0.00 37.83 34.01 1f6f s LYS 168 CO -0.06 0.61 -0.09 0.08 -0.92 0.00 0.00 175.35 174.97 1f6f s VAL 169 N -0.63 1.10 0.40 3.17 1.01 -1.11 -5.02 120.40 119.31 1f6f s VAL 169 Ca 0.17 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.88 1f6f s VAL 169 Cb -0.13 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 1f6f s VAL 169 CO 0.06 0.38 0.32 -0.36 0.00 0.00 0.00 175.10 175.50 1f6f s PHE 170 N 1.54 2.72 -0.74 5.22 0.40 -1.26 -1.81 117.98 124.06 1f6f s PHE 170 Ca 0.02 -0.47 -0.04 0.00 -0.60 0.00 0.00 56.93 55.84 1f6f s PHE 170 Cb -0.13 -2.05 0.01 0.00 0.51 0.00 0.00 43.02 41.35 1f6f s PHE 170 CO -0.07 -0.00 0.65 -0.25 0.70 0.00 0.00 175.22 176.24 1f6f n ASP 171 N -1.45 -6.29 -4.66 1.36 8.00 -1.26 -5.03 116.55 107.22 1f6f n ASP 171 Ca 0.02 -0.45 -0.24 0.00 0.71 0.00 0.00 54.79 54.83 1f6f n ASP 171 Cb 0.62 -3.38 -0.08 0.00 -0.02 0.00 0.00 41.12 38.26 1f6f n ASP 171 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1f6f s LEU 172 N -4.24 3.09 -0.13 0.64 1.43 -1.26 -5.10 118.68 113.11 1f6f s LEU 172 Ca 0.04 -0.88 -0.29 0.00 -1.03 0.00 0.00 54.13 51.97 1f6f s LEU 172 Cb -0.01 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.68 1f6f s LEU 172 CO 0.83 -0.22 1.26 -0.31 0.23 0.00 0.00 176.35 178.14 1f6f s TYR 173 N -2.47 2.91 0.25 0.29 1.51 -1.26 -5.01 117.35 113.58 1f6f s TYR 173 Ca 0.35 1.03 -0.30 0.00 -1.01 0.00 0.00 57.07 57.14 1f6f s TYR 173 Cb -0.02 -3.50 -0.10 0.00 -0.11 0.00 0.00 41.96 38.23 1f6f s TYR 173 CO 0.20 -1.70 1.43 -2.14 -1.11 0.00 0.00 175.55 172.24 1f6f s PRO 174 N 3.13 4.27 -0.18 -1.71 0.02 -1.26 -3.82 135.00 135.44 1f6f s PRO 174 Ca 0.56 2.30 -0.00 0.00 0.02 0.00 0.00 61.00 63.88 1f6f s PRO 174 Cb -0.23 -3.11 -0.00 0.00 0.02 0.00 0.00 34.50 31.18 1f6f s PRO 174 CO 0.17 -0.41 0.15 0.41 -0.33 0.00 0.00 177.00 176.99 1f6f n GLY 175 N 2.13 0.35 3.29 0.52 0.00 -0.13 -4.89 105.19 106.47 1f6f n GLY 175 Ca 0.06 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 1f6f n GLY 175 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1f6f s GLN 176 N -4.08 0.53 0.06 1.61 0.74 -1.25 -4.99 119.66 112.27 1f6f s GLN 176 Ca 0.01 0.39 -0.25 0.00 0.05 0.00 0.00 55.36 55.56 1f6f s GLN 176 Cb -0.00 0.25 -0.06 0.00 1.10 0.00 0.00 33.01 34.31 1f6f s GLN 176 CO 0.11 -0.09 0.77 0.15 -0.55 0.00 0.00 175.29 175.68 1f6f s LYS 177 N -0.16 4.50 -0.06 1.67 1.02 -1.26 -2.57 119.74 122.89 1f6f s LYS 177 Ca -0.03 1.07 0.03 0.00 0.02 0.00 0.00 55.97 57.06 1f6f s LYS 177 Cb -0.03 -3.35 -0.03 0.00 -0.52 0.00 0.00 37.83 33.90 1f6f s LYS 177 CO 0.02 0.31 -0.13 0.71 -0.92 0.00 0.00 175.35 175.34 1f6f s TYR 178 N -0.16 2.75 -0.15 3.18 2.02 0.54 -4.95 117.35 120.57 1f6f s TYR 178 Ca 0.38 -0.18 -0.11 0.00 -0.37 0.00 0.00 57.07 56.79 1f6f s TYR 178 Cb -0.21 -1.67 -0.05 0.00 -0.40 0.00 0.00 41.96 39.64 1f6f s TYR 178 CO 0.23 0.16 0.22 -0.51 -1.57 0.00 0.00 175.55 174.08 1f6f s LEU 179 N -0.62 4.28 -0.02 -1.29 1.43 -1.26 -2.82 118.68 118.37 1f6f s LEU 179 Ca 0.09 0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 53.61 1f6f s LEU 179 Cb -0.11 -2.24 0.01 0.00 0.03 0.00 0.00 46.19 43.88 1f6f s LEU 179 CO 0.01 0.20 0.05 0.54 0.23 0.00 0.00 176.35 177.39 1f6f s VAL 180 N 0.03 -0.01 0.24 -1.59 0.11 -0.73 -1.91 120.40 116.54 1f6f s VAL 180 Ca 0.14 0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.23 1f6f s VAL 180 Cb -0.12 -0.09 -0.05 0.00 -1.53 0.00 0.00 36.38 34.59 1f6f s VAL 180 CO 0.03 0.01 0.06 -1.10 -3.33 0.00 0.00 175.10 170.77 1f6f s GLN 181 N 0.17 1.35 0.11 1.54 -0.21 -0.27 -2.50 119.66 119.85 1f6f s GLN 181 Ca -0.01 -1.71 0.02 0.00 0.02 0.00 0.00 55.36 53.67 1f6f s GLN 181 Cb -0.02 -0.33 -0.04 0.00 1.00 0.00 0.00 33.01 33.62 1f6f s GLN 181 CO -0.00 -0.23 -0.06 0.95 -2.12 0.00 0.00 175.29 173.82 1f6f s THR 182 N -3.68 0.71 0.06 -0.19 -4.23 -1.26 -1.36 115.64 105.71 1f6f s THR 182 Ca 0.34 -1.95 -0.06 0.00 -1.18 0.00 0.00 61.69 58.84 1f6f s THR 182 Cb 0.07 -1.74 -0.01 0.00 1.34 0.00 0.00 72.50 72.16 1f6f s THR 182 CO 0.11 -0.83 0.12 -0.13 -0.54 0.00 0.00 174.62 173.35 1f6f s ARG 183 N -3.84 0.72 0.08 3.99 0.52 -0.24 -0.94 118.95 119.25 1f6f s ARG 183 Ca 0.13 -0.95 -0.08 0.00 -0.52 0.00 0.00 55.73 54.31 1f6f s ARG 183 Cb 0.05 0.28 -0.01 0.00 0.52 0.00 0.00 34.95 35.80 1f6f s ARG 183 CO -0.04 -0.20 0.17 0.00 0.02 0.00 0.00 175.30 175.25 1f6f s LYS 185 N -3.81 0.34 1.08 0.00 2.20 -0.97 -1.39 119.74 117.20 1f6f s LYS 185 Ca 0.05 0.51 -0.18 0.00 -0.36 0.00 0.00 55.97 55.99 1f6f s LYS 185 Cb 0.05 0.09 0.27 0.00 -1.51 0.00 0.00 37.83 36.73 1f6f s LYS 185 CO -0.11 -0.08 0.81 -2.30 -0.36 0.00 0.00 175.35 173.31 1f6f n PRO 186 N 3.38 -3.44 -0.24 4.03 -0.02 -1.26 -2.13 135.00 135.32 1f6f n PRO 186 Ca -0.17 -1.32 -0.05 0.00 -2.02 0.00 0.00 63.50 59.94 1f6f n PRO 186 Cb 0.56 -1.42 0.06 0.00 -0.02 0.00 0.00 33.50 32.68 1f6f n PRO 186 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1f6f h ASP 187 N -2.81 0.75 -1.30 2.55 3.58 -1.95 -3.27 116.42 113.97 1f6f h ASP 187 Ca -0.33 -0.01 -0.43 0.00 0.42 0.00 0.00 57.03 56.68 1f6f h ASP 187 Cb 1.04 -0.18 -0.40 0.00 1.72 0.00 0.00 39.33 41.51 1f6f h ASP 187 CO 0.21 0.54 -1.09 1.41 -2.88 0.00 0.00 179.24 177.42 1f6f n HIS 188 N -4.64 1.55 -2.14 0.28 8.25 -1.26 -5.10 115.22 112.16 1f6f n HIS 188 Ca 0.06 -3.05 0.00 0.00 -0.26 0.00 0.00 57.72 54.47 1f6f n HIS 188 Cb 0.04 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 30.81 1f6f n HIS 188 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1f6f n GLY 189 N -0.10 5.36 3.56 -1.41 0.00 -1.24 -4.38 105.19 106.99 1f6f n GLY 189 Ca 0.18 -1.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.09 1f6f n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1f6f s TYR 190 N 1.86 2.53 0.41 1.61 2.02 -0.56 -4.83 117.35 120.39 1f6f s TYR 190 Ca 0.00 -0.26 -0.24 0.00 -0.37 0.00 0.00 57.07 56.20 1f6f s TYR 190 Cb 0.00 -1.15 -0.09 0.00 -0.40 0.00 0.00 41.96 40.33 1f6f s TYR 190 CO 0.00 0.62 1.08 -1.58 -1.57 0.00 0.00 175.55 174.10 1f6f s TRP 191 N -2.21 3.18 0.59 2.71 0.52 -1.26 -4.41 118.94 118.05 1f6f s TRP 191 Ca 0.29 1.62 -0.10 0.00 0.02 0.00 0.00 56.10 57.93 1f6f s TRP 191 Cb -0.07 -3.19 -0.04 0.00 -1.15 0.00 0.00 33.47 29.03 1f6f s TRP 191 CO 0.17 -0.82 0.97 -1.54 0.02 0.00 0.00 176.95 175.74 1f6f s SER 192 N -1.51 6.23 1.17 2.95 1.04 -0.49 -4.81 113.70 118.27 1f6f s SER 192 Ca 0.59 1.29 -0.14 0.00 0.48 0.00 0.00 55.95 58.17 1f6f s SER 192 Cb -0.24 -2.41 0.28 0.00 0.10 0.00 0.00 66.02 63.76 1f6f s SER 192 CO 0.29 -0.80 1.03 -0.13 0.98 0.00 0.00 173.24 174.61 1f6f s ARG 193 N -5.07 -0.93 0.33 4.02 0.52 -1.26 -4.61 118.95 111.94 1f6f s ARG 193 Ca 0.53 0.64 -0.27 0.00 -0.52 0.00 0.00 55.73 56.11 1f6f s ARG 193 Cb -0.11 -1.57 -0.09 0.00 0.52 0.00 0.00 34.95 33.70 1f6f s ARG 193 CO 0.52 -3.68 1.09 -1.58 0.02 0.00 0.00 175.30 171.66 1f6f s TRP 194 N -2.57 3.43 0.55 -0.53 0.52 -1.26 -4.50 118.94 114.57 1f6f s TRP 194 Ca 0.68 1.67 -0.09 0.00 0.02 0.00 0.00 56.10 58.38 1f6f s TRP 194 Cb -0.22 -3.23 0.14 0.00 -1.15 0.00 0.00 33.47 29.00 1f6f s TRP 194 CO 0.63 -0.63 0.42 -1.13 0.02 0.00 0.00 176.95 176.25 1f6f n SER 195 N 0.65 -2.04 -4.80 2.95 3.41 -0.12 -4.94 113.62 108.73 1f6f n SER 195 Ca 0.01 -0.61 -0.37 0.00 -0.26 0.00 0.00 58.87 57.65 1f6f n SER 195 Cb 0.47 -0.41 -0.07 0.00 -0.26 0.00 0.00 64.21 63.94 1f6f n SER 195 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1f6f s GLN 196 N -3.96 3.93 0.37 4.33 -1.52 -1.26 -4.79 119.66 116.75 1f6f s GLN 196 Ca 0.29 0.10 -0.23 0.00 -1.95 0.00 0.00 55.36 53.56 1f6f s GLN 196 Cb -0.04 -3.30 -0.15 0.00 -0.22 0.00 0.00 33.01 29.31 1f6f s GLN 196 CO 0.23 0.52 0.39 0.39 -0.25 0.00 0.00 175.29 176.57 1f6f n GLU 197 N 2.63 0.28 -4.15 2.91 1.02 -1.26 -4.87 120.64 117.20 1f6f n GLU 197 Ca -0.15 0.10 -0.16 0.00 -0.02 0.00 0.00 57.16 56.94 1f6f n GLU 197 Cb 0.53 -1.23 -0.14 0.00 -0.02 0.00 0.00 31.44 30.58 1f6f n GLU 197 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1f6f s SER 198 N -0.96 0.64 0.30 1.62 0.01 -1.04 -4.98 113.70 109.30 1f6f s SER 198 Ca 0.62 -0.14 0.11 0.00 1.31 0.00 0.00 55.95 57.85 1f6f s SER 198 Cb -0.68 -0.06 -0.06 0.00 0.21 0.00 0.00 66.02 65.43 1f6f s SER 198 CO 0.60 0.04 -0.15 -0.44 0.41 0.00 0.00 173.24 173.70 1f6f s SER 199 N -0.25 3.58 0.06 2.44 0.01 -1.26 -1.78 113.70 116.50 1f6f s SER 199 Ca 0.01 -1.11 -0.27 0.00 1.31 0.00 0.00 55.95 55.90 1f6f s SER 199 Cb -0.03 -0.31 0.07 0.00 0.21 0.00 0.00 66.02 65.96 1f6f s SER 199 CO -0.00 -0.08 0.64 0.54 0.41 0.00 0.00 173.24 174.75 1f6f s VAL 200 N -2.59 0.00 -0.13 3.43 0.11 -1.13 -4.94 120.40 115.15 1f6f s VAL 200 Ca 0.31 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.37 1f6f s VAL 200 Cb -0.01 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.85 1f6f s VAL 200 CO 0.15 0.00 -0.18 -1.61 -3.33 0.00 0.00 175.10 170.14 1f6f s GLU 201 N -2.59 2.57 0.03 1.54 2.02 -1.26 -0.34 118.70 120.67 1f6f s GLU 201 Ca -0.04 -0.68 -0.30 0.00 0.02 0.00 0.00 54.97 53.96 1f6f s GLU 201 Cb -0.01 -2.18 -0.05 0.00 0.10 0.00 0.00 34.13 31.99 1f6f s GLU 201 CO -0.03 -0.10 1.21 -1.64 0.02 0.00 0.00 175.26 174.73 1f6f s MET 202 N 1.07 4.40 0.36 1.61 -1.94 -1.06 -4.96 119.30 118.78 1f6f s MET 202 Ca -0.03 1.76 -0.23 0.00 -1.71 0.00 0.00 55.69 55.47 1f6f s MET 202 Cb -0.14 -3.41 -0.15 0.00 2.01 0.00 0.00 34.83 33.13 1f6f s MET 202 CO -0.05 -0.32 0.34 -2.30 -0.01 0.00 0.00 175.02 172.68 1f6f n PRO 203 N 4.33 0.21 0.00 2.03 -0.02 -1.26 -0.96 135.00 139.33 1f6f n PRO 203 Ca 0.10 0.07 0.11 0.00 -2.02 0.00 0.00 63.50 61.76 1f6f n PRO 203 Cb 0.46 -1.17 0.66 0.00 -0.02 0.00 0.00 33.50 33.43 1f6f n PRO 203 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57