#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cfk s VAL 2 N 0.00 3.59 -0.02 2.62 1.01 -1.26 -4.08 120.40 122.25 3cfk s VAL 2 Ca 0.00 1.45 0.02 0.00 0.00 0.00 0.00 61.98 63.45 3cfk s VAL 2 Cb 0.00 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.52 3cfk s VAL 2 CO 0.00 0.23 -0.07 -0.54 0.00 0.00 0.00 175.10 174.72 3cfk s LYS 3 N -1.83 0.75 -0.47 2.72 1.02 -0.64 -4.97 119.74 116.32 3cfk s LYS 3 Ca 0.49 -0.22 0.03 0.00 0.02 0.00 0.00 55.97 56.29 3cfk s LYS 3 Cb -0.28 -0.73 0.15 0.00 -0.52 0.00 0.00 37.83 36.45 3cfk s LYS 3 CO 0.36 0.07 0.29 -0.51 -0.92 0.00 0.00 175.35 174.64 3cfk s LEU 4 N 0.25 2.65 -0.45 3.17 1.43 -1.26 -2.00 118.68 122.46 3cfk s LEU 4 Ca -0.03 -2.85 -0.22 0.00 -1.03 0.00 0.00 54.13 50.00 3cfk s LEU 4 Cb -0.08 -0.97 0.03 0.00 0.03 0.00 0.00 46.19 45.20 3cfk s LEU 4 CO 0.00 -0.23 0.73 -0.76 0.23 0.00 0.00 176.35 176.33 3cfk s LEU 5 N 0.09 4.37 0.42 1.79 1.43 -0.54 -4.12 118.68 122.12 3cfk s LEU 5 Ca 0.21 -0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 52.92 3cfk s LEU 5 Cb -0.16 -2.84 -0.08 0.00 0.03 0.00 0.00 46.19 43.13 3cfk s LEU 5 CO -0.06 -0.88 0.84 -1.61 0.23 0.00 0.00 176.35 174.87 3cfk s GLU 6 N 3.12 3.93 0.31 1.70 8.01 -1.26 -1.58 118.70 132.93 3cfk s GLU 6 Ca 0.26 0.73 -0.17 0.00 0.01 0.00 0.00 54.97 55.80 3cfk s GLU 6 Cb -0.13 -2.30 0.03 0.00 -4.31 0.00 0.00 34.13 27.41 3cfk s GLU 6 CO 0.21 -0.06 0.69 -1.54 0.01 0.00 0.00 175.26 174.57 3cfk s SER 7 N -2.82 -0.08 0.00 -0.19 1.04 -0.24 -4.83 113.70 106.58 3cfk s SER 7 Ca 0.55 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 56.11 3cfk s SER 7 Cb -0.10 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.76 3cfk s SER 7 CO 0.26 -1.42 0.00 0.61 0.98 0.00 0.00 173.24 173.67 3cfk n GLY 8 N -0.48 0.58 3.89 7.32 0.00 -1.26 -1.31 105.19 113.93 3cfk n GLY 8 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 3cfk n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfk n GLY 9 N -1.51 -1.53 0.00 -0.02 0.00 -1.26 -4.67 105.19 96.20 3cfk n GLY 9 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 3cfk n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfk n GLY 10 N -3.79 0.86 3.72 -0.02 0.00 0.40 -4.95 105.19 101.40 3cfk n GLY 10 Ca 0.17 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 3cfk n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cfk s LEU 11 N 0.00 4.41 0.07 0.99 2.96 -1.26 -1.59 118.68 124.26 3cfk s LEU 11 Ca 0.00 1.69 0.05 0.00 -0.22 0.00 0.00 54.13 55.66 3cfk s LEU 11 Cb 0.00 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 3cfk s LEU 11 CO 0.00 -0.21 -0.14 0.00 -1.32 0.00 0.00 176.35 174.68 3cfk s ALA 12 N 0.73 1.19 0.29 5.97 0.00 0.22 -4.96 121.76 125.21 3cfk s ALA 12 Ca 0.51 -1.02 -0.16 0.00 0.00 0.00 0.00 51.96 51.29 3cfk s ALA 12 Cb -0.22 -0.09 -0.09 0.00 0.00 0.00 0.00 23.12 22.72 3cfk s ALA 12 CO 0.28 0.16 0.72 -0.65 0.00 0.00 0.00 175.76 176.27 3cfk s GLN 13 N -1.82 4.05 0.28 0.00 -0.21 -1.26 -1.05 119.66 119.65 3cfk s GLN 13 Ca -0.01 0.69 -0.30 0.00 0.02 0.00 0.00 55.36 55.76 3cfk s GLN 13 Cb -0.09 -2.55 -0.13 0.00 1.00 0.00 0.00 33.01 31.24 3cfk s GLN 13 CO 0.02 0.22 1.41 -2.30 -2.12 0.00 0.00 175.29 172.53 3cfk n PRO 14 N -0.10 2.22 0.00 2.91 -0.02 -1.26 -1.73 135.00 137.01 3cfk n PRO 14 Ca 0.02 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3cfk n PRO 14 Cb 0.53 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3cfk n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cfk n GLY 15 N 1.70 2.95 3.78 -1.23 0.00 0.35 -4.91 105.19 107.83 3cfk n GLY 15 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3cfk n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cfk s GLY 16 N -1.69 1.64 0.39 -0.02 0.00 -0.71 -3.80 107.32 103.14 3cfk s GLY 16 Ca 0.00 -0.86 0.08 0.00 0.00 0.00 0.00 44.72 43.94 3cfk s GLY 16 CO 0.00 -0.14 0.03 -1.35 0.00 0.00 0.00 173.10 171.64 3cfk s SER 17 N -4.27 4.02 -0.21 1.64 1.04 -1.26 -2.57 113.70 112.08 3cfk s SER 17 Ca 0.69 -1.23 -0.26 0.00 0.48 0.00 0.00 55.95 55.63 3cfk s SER 17 Cb -0.10 -0.43 0.07 0.00 0.10 0.00 0.00 66.02 65.66 3cfk s SER 17 CO 0.54 -0.41 0.70 -0.22 0.98 0.00 0.00 173.24 174.83 3cfk s LEU 18 N -3.74 -0.69 -0.24 2.42 2.96 0.07 -4.99 118.68 114.48 3cfk s LEU 18 Ca 0.36 1.25 0.03 0.00 -0.22 0.00 0.00 54.13 55.54 3cfk s LEU 18 Cb 0.06 2.45 0.05 0.00 0.50 0.00 0.00 46.19 49.26 3cfk s LEU 18 CO 0.19 -0.34 -0.13 -0.75 -1.32 0.00 0.00 176.35 174.01 3cfk s LYS 19 N -0.01 2.37 0.22 1.98 2.20 -1.26 -0.37 119.74 124.87 3cfk s LYS 19 Ca -0.03 -1.24 -0.09 0.00 -0.36 0.00 0.00 55.97 54.25 3cfk s LYS 19 Cb -0.04 -2.82 -0.07 0.00 -1.51 0.00 0.00 37.83 33.39 3cfk s LYS 19 CO 0.03 -0.50 0.53 -0.51 -0.36 0.00 0.00 175.35 174.54 3cfk s LEU 20 N 1.14 4.17 0.13 5.43 1.43 0.29 -4.62 118.68 126.65 3cfk s LEU 20 Ca -0.06 0.87 -0.02 0.00 -1.03 0.00 0.00 54.13 53.88 3cfk s LEU 20 Cb -0.19 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.37 3cfk s LEU 20 CO -0.07 -0.07 0.09 -0.94 0.23 0.00 0.00 176.35 175.59 3cfk s SER 21 N -2.43 0.28 -0.19 2.29 1.04 -0.43 -0.98 113.70 113.28 3cfk s SER 21 Ca 0.46 -1.12 -0.08 0.00 0.48 0.00 0.00 55.95 55.70 3cfk s SER 21 Cb -0.11 0.31 0.08 0.00 0.10 0.00 0.00 66.02 66.40 3cfk s SER 21 CO 0.22 -0.74 0.42 0.00 0.98 0.00 0.00 173.24 174.12 3cfk s ALA 23 N 2.21 3.29 0.04 0.00 0.00 -0.62 -0.85 121.76 125.83 3cfk s ALA 23 Ca -0.04 -0.78 0.08 0.00 0.00 0.00 0.00 51.96 51.21 3cfk s ALA 23 Cb -0.11 -1.62 -0.03 0.00 0.00 0.00 0.00 23.12 21.36 3cfk s ALA 23 CO -0.13 0.43 -0.22 0.00 0.00 0.00 0.00 175.76 175.84 3cfk s ALA 24 N -0.37 2.43 0.20 0.00 0.00 -0.14 -1.47 121.76 122.41 3cfk s ALA 24 Ca 0.08 -1.22 -0.07 0.00 0.00 0.00 0.00 51.96 50.74 3cfk s ALA 24 Cb -0.12 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 3cfk s ALA 24 CO 0.02 0.55 0.28 -1.54 0.00 0.00 0.00 175.76 175.08 3cfk s SER 25 N -1.31 0.05 0.00 0.00 1.04 -0.85 -4.82 113.70 107.81 3cfk s SER 25 Ca 0.13 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.51 3cfk s SER 25 Cb -0.10 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.47 3cfk s SER 25 CO 0.03 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.92 3cfk n GLY 26 N -0.27 0.74 3.59 7.32 0.00 -1.26 -1.61 105.19 113.70 3cfk n GLY 26 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 3cfk n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3cfk s PHE 27 N -2.67 -0.15 -1.29 1.61 -0.71 -1.26 -4.56 117.98 108.94 3cfk s PHE 27 Ca 0.00 -0.20 -0.18 0.00 -1.04 0.00 0.00 56.93 55.51 3cfk s PHE 27 Cb 0.00 0.47 0.06 0.00 -1.21 0.00 0.00 43.02 42.34 3cfk s PHE 27 CO 0.00 -0.99 1.76 -3.47 -1.34 0.00 0.00 175.22 171.18 3cfk n ASP 28 N -0.38 4.80 -0.34 1.98 2.03 -1.26 -4.81 116.55 118.57 3cfk n ASP 28 Ca -0.09 -2.90 0.20 0.00 0.52 0.00 0.00 54.79 52.52 3cfk n ASP 28 Cb 0.62 -1.75 0.42 0.00 -0.72 0.00 0.00 41.12 39.69 3cfk n ASP 28 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3cfk h PHE 29 N 7.71 0.95 -1.16 -0.67 3.57 -1.96 -0.85 116.94 124.54 3cfk h PHE 29 Ca 0.43 0.03 0.33 0.00 3.53 0.00 0.00 57.97 62.30 3cfk h PHE 29 Cb 0.87 -0.27 -0.07 0.00 2.79 0.00 0.00 35.95 39.28 3cfk h PHE 29 CO 1.41 0.01 0.81 0.00 -2.23 0.00 0.00 178.31 178.31 3cfk h ARG 30 N 0.50 0.12 0.00 1.11 3.08 -1.87 -2.65 114.38 114.67 3cfk h ARG 30 Ca 0.66 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.71 3cfk h ARG 30 Cb 1.37 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.39 3cfk h ARG 30 CO -0.48 0.08 -0.86 0.54 -1.07 0.00 0.00 179.97 178.17 3cfk n ARG 31 N -4.34 0.28 -4.01 0.04 1.74 -0.32 -4.63 116.66 105.41 3cfk n ARG 31 Ca 0.26 0.03 -0.32 0.00 -0.77 0.00 0.00 57.85 57.06 3cfk n ARG 31 Cb 1.16 -1.62 -0.06 0.00 -1.02 0.00 0.00 32.46 30.91 3cfk n ARG 31 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3cfk s TYR 32 N -3.18 3.34 0.44 -1.55 1.51 -1.00 -4.78 117.35 112.13 3cfk s TYR 32 Ca 0.05 0.19 -0.23 0.00 -1.01 0.00 0.00 57.07 56.07 3cfk s TYR 32 Cb 0.14 -1.71 -0.08 0.00 -0.11 0.00 0.00 41.96 40.20 3cfk s TYR 32 CO 0.77 0.56 1.10 -1.58 -1.11 0.00 0.00 175.55 175.29 3cfk s TRP 33 N -1.36 3.05 0.12 2.71 0.52 -1.25 -3.88 118.94 118.85 3cfk s TRP 33 Ca 0.29 1.59 0.07 0.00 0.02 0.00 0.00 56.10 58.07 3cfk s TRP 33 Cb -0.12 -3.22 -0.04 0.00 -1.15 0.00 0.00 33.47 28.94 3cfk s TRP 33 CO 0.21 -1.03 -0.17 -1.64 0.02 0.00 0.00 176.95 174.34 3cfk s MET 34 N -2.71 1.07 0.05 4.98 -1.94 -0.19 -1.90 119.30 118.67 3cfk s MET 34 Ca 0.62 -1.21 0.02 0.00 -1.71 0.00 0.00 55.69 53.41 3cfk s MET 34 Cb -0.24 -1.11 -0.03 0.00 2.01 0.00 0.00 34.83 35.47 3cfk s MET 34 CO 0.29 0.23 -0.07 0.99 -0.01 0.00 0.00 175.02 176.46 3cfk s THR 35 N -1.73 0.48 -0.05 2.05 2.01 0.00 -0.72 115.64 117.69 3cfk s THR 35 Ca 0.08 -1.25 0.04 0.00 0.31 0.00 0.00 61.69 60.87 3cfk s THR 35 Cb -0.07 -0.80 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 3cfk s THR 35 CO 0.04 -0.53 -0.16 0.26 -0.69 0.00 0.00 174.62 173.54 3cfk s TRP 36 N -1.95 2.66 0.05 4.92 0.52 -0.48 -1.46 118.94 123.20 3cfk s TRP 36 Ca -0.06 -0.23 0.02 0.00 0.02 0.00 0.00 56.10 55.85 3cfk s TRP 36 Cb -0.06 -1.63 -0.03 0.00 -1.15 0.00 0.00 33.47 30.60 3cfk s TRP 36 CO -0.01 0.13 -0.08 0.08 0.02 0.00 0.00 176.95 177.08 3cfk s VAL 37 N -0.64 0.58 0.10 4.03 1.01 -0.34 -1.73 120.40 123.41 3cfk s VAL 37 Ca 0.09 -1.18 0.03 0.00 0.00 0.00 0.00 61.98 60.92 3cfk s VAL 37 Cb -0.11 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 3cfk s VAL 37 CO 0.01 -0.43 -0.08 0.00 0.00 0.00 0.00 175.10 174.60 3cfk s ARG 38 N -1.83 0.82 -0.21 2.72 1.70 -0.33 0.81 118.95 122.63 3cfk s ARG 38 Ca -0.07 -1.24 -0.05 0.00 -0.47 0.00 0.00 55.73 53.91 3cfk s ARG 38 Cb -0.08 -0.33 0.08 0.00 -0.57 0.00 0.00 34.95 34.04 3cfk s ARG 38 CO -0.00 0.02 0.12 -1.14 -1.08 0.00 0.00 175.30 173.22 3cfk s GLN 39 N -3.31 0.11 0.80 3.89 0.74 -0.15 -0.69 119.66 121.05 3cfk s GLN 39 Ca 0.08 -0.20 -0.12 0.00 0.05 0.00 0.00 55.36 55.17 3cfk s GLN 39 Cb 0.01 -1.56 0.08 0.00 1.10 0.00 0.00 33.01 32.64 3cfk s GLN 39 CO -0.02 -0.78 1.14 0.00 -0.55 0.00 0.00 175.29 175.07 3cfk s ALA 40 N 2.14 1.95 0.14 1.58 0.00 -1.26 -1.43 121.76 124.88 3cfk s ALA 40 Ca 0.05 0.55 -0.33 0.00 0.00 0.00 0.00 51.96 52.23 3cfk s ALA 40 Cb -0.16 -3.39 -0.12 0.00 0.00 0.00 0.00 23.12 19.45 3cfk s ALA 40 CO -0.18 -2.12 1.74 -2.30 0.00 0.00 0.00 175.76 172.90 3cfk n PRO 41 N -3.50 2.54 -1.34 0.00 -0.02 -1.26 -1.91 135.00 129.51 3cfk n PRO 41 Ca 0.11 0.92 -0.12 0.00 -2.02 0.00 0.00 63.50 62.40 3cfk n PRO 41 Cb 0.52 -2.76 -0.05 0.00 -0.02 0.00 0.00 33.50 31.19 3cfk n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cfk n GLY 42 N 3.94 1.23 3.63 -1.23 0.00 -1.26 -4.99 105.19 106.51 3cfk n GLY 42 Ca 0.18 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 3cfk n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cfk s LYS 43 N -2.86 2.09 0.60 1.61 1.02 -0.80 -5.16 119.74 116.23 3cfk s LYS 43 Ca 0.00 -2.32 -0.07 0.00 0.02 0.00 0.00 55.97 53.60 3cfk s LYS 43 Cb 0.00 -0.95 0.13 0.00 -0.52 0.00 0.00 37.83 36.49 3cfk s LYS 43 CO 0.00 -0.48 0.81 0.41 -0.92 0.00 0.00 175.35 175.17 3cfk n GLY 44 N -1.10 -0.64 3.83 -3.33 0.00 -1.26 -4.68 105.19 98.01 3cfk n GLY 44 Ca -0.12 -1.81 -0.34 0.00 0.00 0.00 0.00 46.02 43.75 3cfk n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cfk s LEU 45 N 0.00 4.14 -0.15 0.99 1.43 -1.26 -4.22 118.68 119.61 3cfk s LEU 45 Ca 0.48 1.44 -0.02 0.00 -1.03 0.00 0.00 54.13 55.00 3cfk s LEU 45 Cb -0.02 -4.02 0.05 0.00 0.03 0.00 0.00 46.19 42.23 3cfk s LEU 45 CO 0.33 -0.16 0.03 -0.70 0.23 0.00 0.00 176.35 176.08 3cfk s GLU 46 N -2.66 0.62 0.10 1.70 2.12 0.13 -4.99 118.70 115.71 3cfk s GLU 46 Ca 0.52 -0.21 -0.31 0.00 0.36 0.00 0.00 54.97 55.33 3cfk s GLU 46 Cb -0.12 -1.69 -0.09 0.00 0.26 0.00 0.00 34.13 32.49 3cfk s GLU 46 CO 0.18 -0.52 1.58 -0.46 -0.54 0.00 0.00 175.26 175.50 3cfk s TRP 47 N 1.91 2.72 -0.22 5.30 -0.00 -1.26 -1.18 118.94 126.21 3cfk s TRP 47 Ca 0.01 0.51 -0.16 0.00 -0.00 0.00 0.00 56.10 56.46 3cfk s TRP 47 Cb -0.15 -3.90 -0.11 0.00 -0.00 0.00 0.00 33.47 29.30 3cfk s TRP 47 CO -0.07 -3.49 -0.22 -0.89 -0.00 0.00 0.00 176.95 172.29 3cfk n ILE 48 N 4.42 1.51 -0.62 5.86 5.41 -0.71 -4.54 119.36 130.71 3cfk n ILE 48 Ca 0.15 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.78 3cfk n ILE 48 Cb 0.40 -2.09 0.00 0.00 -0.71 0.00 0.00 39.64 37.24 3cfk n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3cfk n GLY 49 N 1.38 -1.22 3.15 7.39 0.00 -1.20 -0.04 105.19 114.66 3cfk n GLY 49 Ca -0.35 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.57 3cfk n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3cfk s GLU 50 N -1.63 0.58 -0.01 1.61 -1.05 -0.26 -1.38 118.70 116.57 3cfk s GLU 50 Ca 0.00 -0.46 0.03 0.00 -0.15 0.00 0.00 54.97 54.39 3cfk s GLU 50 Cb 0.00 0.24 -0.01 0.00 -0.44 0.00 0.00 34.13 33.93 3cfk s GLU 50 CO 0.00 -0.15 -0.09 -1.50 0.95 0.00 0.00 175.26 174.47 3cfk s ILE 51 N -1.79 0.73 0.74 1.83 2.07 0.10 -1.83 121.20 123.05 3cfk s ILE 51 Ca -0.11 -0.39 -0.09 0.00 -1.41 0.00 0.00 60.65 58.65 3cfk s ILE 51 Cb -0.05 -0.62 0.06 0.00 0.13 0.00 0.00 42.46 41.98 3cfk s ILE 51 CO 0.00 0.21 1.07 0.54 -1.91 0.00 0.00 174.94 174.86 3cfk s ASN 52 N -0.19 4.80 0.22 4.50 4.22 -0.87 -1.02 114.94 126.61 3cfk s ASN 52 Ca 0.03 0.64 -0.10 0.00 -2.14 0.00 0.00 52.86 51.30 3cfk s ASN 52 Cb -0.04 -1.27 0.34 0.00 1.28 0.00 0.00 41.25 41.56 3cfk s ASN 52 CO -0.00 -1.66 1.64 -0.65 -2.04 0.00 0.00 177.10 174.39 3cfk h PRO 52 N -0.75 0.09 -0.62 3.55 0.11 -1.82 -2.65 132.00 129.90 3cfk h PRO 52 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3cfk h PRO 52 Cb 1.31 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3cfk h PRO 52 CO 0.63 0.06 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 3cfk n ASP 53 N -5.34 3.79 -1.49 -2.05 5.68 -1.26 -4.94 116.55 110.95 3cfk n ASP 53 Ca 0.10 -2.35 -0.15 0.00 -0.50 0.00 0.00 54.79 51.89 3cfk n ASP 53 Cb 0.39 -0.51 -0.03 0.00 -1.14 0.00 0.00 41.12 39.83 3cfk n ASP 53 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3cfk n SER 54 N 0.81 -4.74 -0.02 -1.12 7.64 -1.00 -4.87 113.62 110.33 3cfk n SER 54 Ca 0.20 0.17 0.04 0.00 1.01 0.00 0.00 58.87 60.29 3cfk n SER 54 Cb 0.72 -3.74 -0.10 0.00 -1.01 0.00 0.00 64.21 60.08 3cfk n SER 54 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3cfk n ARG 55 N -2.51 0.77 -3.84 1.43 1.74 -1.26 -4.78 116.66 108.20 3cfk n ARG 55 Ca -0.17 -0.09 -0.36 0.00 -0.77 0.00 0.00 57.85 56.46 3cfk n ARG 55 Cb 0.58 -1.31 -0.13 0.00 -1.02 0.00 0.00 32.46 30.58 3cfk n ARG 55 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3cfk s THR 56 N -2.76 3.40 -0.29 0.55 2.01 -1.26 -5.06 115.64 112.23 3cfk s THR 56 Ca -0.05 -1.07 0.01 0.00 0.31 0.00 0.00 61.69 60.89 3cfk s THR 56 Cb 0.07 -2.85 0.08 0.00 0.01 0.00 0.00 72.50 69.81 3cfk s THR 56 CO 0.53 -0.01 0.03 -0.63 -0.69 0.00 0.00 174.62 173.84 3cfk s ILE 57 N 1.37 1.49 -0.08 1.82 1.01 -1.26 -2.05 121.20 123.49 3cfk s ILE 57 Ca -0.01 -1.57 -0.06 0.00 0.00 0.00 0.00 60.65 59.01 3cfk s ILE 57 Cb -0.18 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 3cfk s ILE 57 CO 0.00 -0.43 0.16 0.20 0.00 0.00 0.00 174.94 174.87 3cfk s ASN 58 N 1.34 6.39 0.20 3.58 0.01 -0.76 -4.95 114.94 120.75 3cfk s ASN 58 Ca 0.04 0.44 0.08 0.00 -0.71 0.00 0.00 52.86 52.72 3cfk s ASN 58 Cb -0.18 -2.05 -0.05 0.00 0.41 0.00 0.00 41.25 39.38 3cfk s ASN 58 CO -0.13 0.36 -0.16 -0.31 -1.51 0.00 0.00 177.10 175.35 3cfk s TYR 59 N -1.13 1.77 0.74 2.20 2.02 -1.26 -1.10 117.35 120.60 3cfk s TYR 59 Ca 0.19 -0.53 -0.15 0.00 -0.37 0.00 0.00 57.07 56.21 3cfk s TYR 59 Cb -0.12 -0.83 0.01 0.00 -0.40 0.00 0.00 41.96 40.61 3cfk s TYR 59 CO 0.09 0.37 0.89 -0.12 -1.57 0.00 0.00 175.55 175.21 3cfk n MET 60 N -0.21 0.39 -1.93 -0.62 0.00 0.94 -4.94 117.12 110.75 3cfk n MET 60 Ca -0.09 0.19 -0.42 0.00 -0.00 0.00 0.00 57.70 57.38 3cfk n MET 60 Cb 0.59 -2.16 -0.03 0.00 0.00 0.00 0.00 33.22 31.63 3cfk n MET 60 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 3cfk s PRO 61 N -3.33 4.20 0.15 2.12 0.02 -1.26 -4.95 135.00 131.94 3cfk s PRO 61 Ca 0.71 2.34 -0.15 0.00 0.02 0.00 0.00 61.00 63.92 3cfk s PRO 61 Cb -0.33 -3.50 0.05 0.00 0.02 0.00 0.00 34.50 30.74 3cfk s PRO 61 CO 0.53 -0.71 0.74 -1.13 -0.33 0.00 0.00 177.00 176.10 3cfk n SER 62 N 5.24 -1.31 -4.91 2.53 3.41 -1.26 -5.18 113.62 112.14 3cfk n SER 62 Ca 0.15 -1.71 -0.27 0.00 -0.26 0.00 0.00 58.87 56.78 3cfk n SER 62 Cb 0.40 2.13 0.06 0.00 -0.26 0.00 0.00 64.21 66.54 3cfk n SER 62 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3cfk s LEU 63 N 0.00 2.92 0.33 1.04 1.43 -1.26 -5.01 118.68 118.13 3cfk s LEU 63 Ca 0.16 0.72 -0.28 0.00 -1.03 0.00 0.00 54.13 53.71 3cfk s LEU 63 Cb -0.02 -3.43 -0.13 0.00 0.03 0.00 0.00 46.19 42.64 3cfk s LEU 63 CO 0.04 -1.42 1.15 0.29 0.23 0.00 0.00 176.35 176.64 3cfk n LYS 64 N -2.89 1.73 -4.31 1.70 5.02 -1.26 -2.99 118.16 115.16 3cfk n LYS 64 Ca 0.07 0.61 -0.38 0.00 -2.02 0.00 0.00 58.31 56.58 3cfk n LYS 64 Cb 0.59 -2.10 -0.06 0.00 -0.02 0.00 0.00 35.03 33.43 3cfk n LYS 64 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3cfk n ASP 65 N 0.91 -2.18 -0.03 4.39 8.00 -1.26 -4.78 116.55 121.60 3cfk n ASP 65 Ca 0.07 -1.06 -0.13 0.00 0.71 0.00 0.00 54.79 54.38 3cfk n ASP 65 Cb 0.35 -1.87 -0.10 0.00 -0.02 0.00 0.00 41.12 39.48 3cfk n ASP 65 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3cfk h LYS 66 N -0.96 0.06 -6.39 -1.24 1.63 -1.88 -3.43 116.57 104.37 3cfk h LYS 66 Ca -0.55 -0.05 -0.68 0.00 -0.85 0.00 0.00 60.65 58.52 3cfk h LYS 66 Cb 1.36 0.01 -0.20 0.00 -0.60 0.00 0.00 32.23 32.80 3cfk h LYS 66 CO 0.81 0.67 -0.75 -0.06 -3.45 0.00 0.00 179.45 176.66 3cfk s PHE 67 N -3.73 2.73 -0.12 1.91 0.08 -1.26 -2.41 117.98 115.18 3cfk s PHE 67 Ca -0.16 -0.14 -0.00 0.00 0.12 0.00 0.00 56.93 56.75 3cfk s PHE 67 Cb 0.01 -1.57 0.02 0.00 -0.57 0.00 0.00 43.02 40.92 3cfk s PHE 67 CO 0.70 0.29 -0.09 0.42 -0.10 0.00 0.00 175.22 176.43 3cfk s ILE 68 N -0.91 1.18 -0.16 0.64 1.01 -0.44 -4.97 121.20 117.55 3cfk s ILE 68 Ca 0.15 -0.39 -0.09 0.00 0.00 0.00 0.00 60.65 60.31 3cfk s ILE 68 Cb -0.11 -1.17 -0.05 0.00 0.01 0.00 0.00 42.46 41.14 3cfk s ILE 68 CO 0.05 0.39 0.16 -0.63 0.00 0.00 0.00 174.94 174.90 3cfk s ILE 69 N 1.64 5.43 0.24 2.92 1.01 -1.26 -0.27 121.20 130.92 3cfk s ILE 69 Ca 0.05 0.25 -0.04 0.00 0.00 0.00 0.00 60.65 60.91 3cfk s ILE 69 Cb -0.13 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 3cfk s ILE 69 CO -0.09 0.52 0.29 -0.94 0.00 0.00 0.00 174.94 174.71 3cfk s SER 70 N -0.26 0.33 0.06 3.58 1.04 -0.88 -5.02 113.70 112.56 3cfk s SER 70 Ca 0.12 -1.31 -0.09 0.00 0.48 0.00 0.00 55.95 55.15 3cfk s SER 70 Cb -0.12 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.49 3cfk s SER 70 CO 0.01 -1.00 0.19 0.00 0.98 0.00 0.00 173.24 173.41 3cfk s ARG 71 N -3.91 0.74 -0.35 4.02 1.70 -1.26 -0.02 118.95 119.87 3cfk s ARG 71 Ca 0.33 -0.75 0.00 0.00 -0.47 0.00 0.00 55.73 54.84 3cfk s ARG 71 Cb 0.03 0.30 0.11 0.00 -0.57 0.00 0.00 34.95 34.83 3cfk s ARG 71 CO 0.14 -0.22 0.14 0.34 -1.08 0.00 0.00 175.30 174.62 3cfk s ASP 72 N -2.36 3.92 0.51 -2.89 -1.08 -0.23 -4.99 116.67 109.55 3cfk s ASP 72 Ca -0.02 -1.97 0.22 0.00 -0.52 0.00 0.00 52.55 50.27 3cfk s ASP 72 Cb 0.01 -0.93 1.37 0.00 -1.46 0.00 0.00 42.92 41.91 3cfk s ASP 72 CO -0.06 -0.37 2.11 0.78 0.52 0.00 0.00 175.17 178.14 3cfk h ASN 73 N 7.64 0.00 0.73 -0.34 2.35 -1.93 -1.19 115.58 122.84 3cfk h ASN 73 Ca -0.09 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.61 3cfk h ASN 73 Cb 0.99 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 3cfk h ASN 73 CO 0.47 0.09 -0.27 0.00 -1.65 0.00 0.00 177.43 176.07 3cfk h ALA 74 N 1.91 1.09 -0.51 -0.83 0.00 -1.95 -2.79 119.26 116.18 3cfk h ALA 74 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3cfk h ALA 74 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3cfk h ALA 74 CO 0.01 0.34 0.00 1.63 0.00 0.00 0.00 179.25 181.23 3cfk n LYS 75 N -3.55 3.02 -4.31 0.00 5.02 -0.49 -4.97 118.16 112.87 3cfk n LYS 75 Ca -0.01 -2.48 -0.33 0.00 -2.02 0.00 0.00 58.31 53.47 3cfk n LYS 75 Cb 0.42 -1.54 -0.08 0.00 -0.02 0.00 0.00 35.03 33.81 3cfk n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3cfk n ASN 76 N 0.86 -0.15 -4.17 4.39 3.02 -0.93 -4.74 115.26 113.53 3cfk n ASN 76 Ca 0.19 -1.21 -0.21 0.00 -0.03 0.00 0.00 54.58 53.32 3cfk n ASN 76 Cb 0.63 -1.89 -0.13 0.00 -0.61 0.00 0.00 39.78 37.77 3cfk n ASN 76 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3cfk s SER 77 N -4.06 1.85 0.07 6.41 0.01 -0.94 -0.97 113.70 116.08 3cfk s SER 77 Ca 0.24 -0.50 0.09 0.00 1.31 0.00 0.00 55.95 57.09 3cfk s SER 77 Cb -0.14 -0.12 -0.03 0.00 0.21 0.00 0.00 66.02 65.94 3cfk s SER 77 CO 0.99 0.04 -0.24 -0.22 0.41 0.00 0.00 173.24 174.22 3cfk s LEU 78 N -1.27 2.37 0.04 2.44 2.96 -0.03 -1.07 118.68 124.12 3cfk s LEU 78 Ca 0.02 -0.58 0.04 0.00 -0.22 0.00 0.00 54.13 53.39 3cfk s LEU 78 Cb -0.08 -1.36 -0.02 0.00 0.50 0.00 0.00 46.19 45.23 3cfk s LEU 78 CO 0.02 0.23 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.85 3cfk s TYR 79 N -0.93 1.06 -0.14 5.38 2.02 0.98 -0.82 117.35 124.91 3cfk s TYR 79 Ca 0.14 -0.38 -0.02 0.00 -0.37 0.00 0.00 57.07 56.44 3cfk s TYR 79 Cb -0.10 -0.62 0.04 0.00 -0.40 0.00 0.00 41.96 40.88 3cfk s TYR 79 CO 0.05 0.01 0.00 -1.17 -1.57 0.00 0.00 175.55 172.87 3cfk s LEU 80 N -1.27 0.99 -0.24 -1.29 2.96 -0.15 -2.07 118.68 117.61 3cfk s LEU 80 Ca -0.01 -0.47 -0.11 0.00 -0.22 0.00 0.00 54.13 53.32 3cfk s LEU 80 Cb -0.08 -0.58 -0.05 0.00 0.50 0.00 0.00 46.19 45.97 3cfk s LEU 80 CO 0.01 -0.23 0.20 -1.58 -1.32 0.00 0.00 176.35 173.42 3cfk s GLN 81 N 1.87 4.08 -0.12 1.98 0.74 0.63 -0.55 119.66 128.29 3cfk s GLN 81 Ca 0.02 -0.21 -0.03 0.00 0.05 0.00 0.00 55.36 55.20 3cfk s GLN 81 Cb -0.15 -3.55 -0.03 0.00 1.10 0.00 0.00 33.01 30.39 3cfk s GLN 81 CO -0.07 0.03 -0.02 -0.51 -0.55 0.00 0.00 175.29 174.18 3cfk s LEU 82 N 1.14 3.43 0.28 3.68 1.43 0.50 -1.33 118.68 127.81 3cfk s LEU 82 Ca 0.09 0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.23 3cfk s LEU 82 Cb -0.14 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 3cfk s LEU 82 CO 0.05 0.28 0.15 -0.94 0.23 0.00 0.00 176.35 176.12 3cfk s SER 82 N -0.29 1.23 -1.38 2.29 1.04 -1.01 -0.75 113.70 114.84 3cfk s SER 82 Ca 0.06 -1.51 -0.02 0.00 0.48 0.00 0.00 55.95 54.96 3cfk s SER 82 Cb -0.12 0.35 -0.00 0.00 0.10 0.00 0.00 66.02 66.35 3cfk s SER 82 CO 0.02 -0.86 0.46 0.54 0.98 0.00 0.00 173.24 174.38 3cfk n ARG 82 N -0.51 -3.16 -2.24 4.02 1.74 -1.22 -4.86 116.66 110.44 3cfk n ARG 82 Ca 0.01 0.41 -0.42 0.00 -0.77 0.00 0.00 57.85 57.09 3cfk n ARG 82 Cb 0.65 -4.50 -0.03 0.00 -1.02 0.00 0.00 32.46 27.56 3cfk n ARG 82 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3cfk s LEU 82 N -6.92 4.40 0.33 0.55 1.43 -1.06 -4.71 118.68 112.69 3cfk s LEU 82 Ca 0.04 2.33 0.05 0.00 -1.03 0.00 0.00 54.13 55.53 3cfk s LEU 82 Cb -0.02 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.54 3cfk s LEU 82 CO 0.88 -0.54 0.01 -0.13 0.23 0.00 0.00 176.35 176.80 3cfk s ARG 83 N 0.30 1.68 0.51 1.70 0.52 -1.26 -0.50 118.95 121.90 3cfk s ARG 83 Ca 0.58 -1.91 0.16 0.00 -0.52 0.00 0.00 55.73 54.05 3cfk s ARG 83 Cb -0.35 -1.12 1.23 0.00 0.52 0.00 0.00 34.95 35.22 3cfk s ARG 83 CO 0.35 -0.08 2.12 0.66 0.02 0.00 0.00 175.30 178.37 3cfk h SER 84 N 2.11 0.00 0.07 0.23 4.64 -1.97 0.54 113.55 119.16 3cfk h SER 84 Ca -0.41 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3cfk h SER 84 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3cfk h SER 84 CO 0.71 0.03 -0.01 -0.33 -0.87 0.00 0.00 176.83 176.37 3cfk h GLU 85 N 0.00 0.00 -0.00 4.77 5.08 -1.96 -1.24 114.58 121.22 3cfk h GLU 85 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3cfk h GLU 85 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3cfk h GLU 85 CO 0.00 0.01 -0.09 -0.25 -1.00 0.00 0.00 179.01 177.68 3cfk n ASP 86 N -3.31 0.37 -4.67 1.42 8.00 0.18 -4.83 116.55 113.71 3cfk n ASP 86 Ca -0.03 -0.48 -0.42 0.00 0.71 0.00 0.00 54.79 54.57 3cfk n ASP 86 Cb 0.09 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 3cfk n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3cfk s SER 87 N -2.50 6.63 -0.01 -2.24 0.01 -0.47 -4.89 113.70 110.22 3cfk s SER 87 Ca 0.28 2.37 -0.30 0.00 1.31 0.00 0.00 55.95 59.62 3cfk s SER 87 Cb 0.20 -2.54 0.12 0.00 0.21 0.00 0.00 66.02 64.00 3cfk s SER 87 CO 0.48 -0.92 1.27 0.00 0.41 0.00 0.00 173.24 174.48 3cfk s ALA 88 N 3.53 -2.22 -0.04 1.44 0.00 -0.71 -4.41 121.76 119.35 3cfk s ALA 88 Ca 0.75 0.61 -0.24 0.00 0.00 0.00 0.00 51.96 53.09 3cfk s ALA 88 Cb -0.37 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 3cfk s ALA 88 CO 0.32 -1.06 0.72 -0.51 0.00 0.00 0.00 175.76 175.23 3cfk s LEU 89 N -3.04 4.35 -0.21 0.00 1.43 -0.51 -1.63 118.68 119.07 3cfk s LEU 89 Ca 0.15 1.26 -0.05 0.00 -1.03 0.00 0.00 54.13 54.47 3cfk s LEU 89 Cb 0.04 -3.13 -0.02 0.00 0.03 0.00 0.00 46.19 43.11 3cfk s LEU 89 CO -0.03 -0.08 -0.02 -0.31 0.23 0.00 0.00 176.35 176.14 3cfk s TYR 90 N 0.58 3.00 -0.16 0.29 1.51 -0.69 -0.97 117.35 120.91 3cfk s TYR 90 Ca 0.38 -0.60 -0.04 0.00 -1.01 0.00 0.00 57.07 55.79 3cfk s TYR 90 Cb -0.18 -2.09 -0.03 0.00 -0.11 0.00 0.00 41.96 39.55 3cfk s TYR 90 CO 0.20 -0.34 -0.02 0.71 -1.11 0.00 0.00 175.55 174.99 3cfk s TYR 91 N 1.14 3.06 -0.11 2.71 2.02 0.24 -1.93 117.35 124.48 3cfk s TYR 91 Ca 0.02 -0.25 -0.30 0.00 -0.37 0.00 0.00 57.07 56.18 3cfk s TYR 91 Cb -0.14 -1.98 -0.02 0.00 -0.40 0.00 0.00 41.96 39.42 3cfk s TYR 91 CO 0.01 -0.01 1.15 0.00 -1.57 0.00 0.00 175.55 175.12 3cfk s VAL 93 N 2.54 0.17 0.02 0.00 1.01 -0.53 -0.02 120.40 123.59 3cfk s VAL 93 Ca 0.52 0.08 -0.25 0.00 0.00 0.00 0.00 61.98 62.34 3cfk s VAL 93 Cb -0.21 -0.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 3cfk s VAL 93 CO 0.18 0.14 0.75 -0.60 0.00 0.00 0.00 175.10 175.56 3cfk s ARG 94 N 0.99 4.47 -0.28 2.72 3.52 0.14 -0.82 118.95 129.69 3cfk s ARG 94 Ca -0.10 1.02 -0.08 0.00 -0.13 0.00 0.00 55.73 56.44 3cfk s ARG 94 Cb -0.13 -3.38 -0.01 0.00 -1.56 0.00 0.00 34.95 29.87 3cfk s ARG 94 CO -0.02 0.24 0.10 -1.17 -0.81 0.00 0.00 175.30 173.64 3cfk s LEU 95 N 0.12 3.78 -0.44 -0.88 2.96 -0.80 -1.96 118.68 121.47 3cfk s LEU 95 Ca 0.38 -0.48 -0.20 0.00 -0.22 0.00 0.00 54.13 53.61 3cfk s LEU 95 Cb -0.20 -1.93 0.02 0.00 0.50 0.00 0.00 46.19 44.59 3cfk s LEU 95 CO 0.22 -0.14 0.59 -0.62 -1.32 0.00 0.00 176.35 175.08 3cfk s ASP 96 N 1.57 6.29 0.66 3.68 2.15 -0.32 -3.77 116.67 126.92 3cfk s ASP 96 Ca 0.05 -0.44 -0.08 0.00 0.43 0.00 0.00 52.55 52.50 3cfk s ASP 96 Cb -0.16 -2.29 0.02 0.00 -0.30 0.00 0.00 42.92 40.19 3cfk s ASP 96 CO 0.04 -0.73 0.99 0.12 -0.17 0.00 0.00 175.17 175.42 3cfk s PHE 97 N 2.64 3.20 -0.31 -5.34 5.36 -1.26 -2.34 117.98 119.92 3cfk s PHE 97 Ca 0.20 0.73 -0.10 0.00 -0.96 0.00 0.00 56.93 56.79 3cfk s PHE 97 Cb -0.15 -2.96 0.20 0.00 -0.34 0.00 0.00 43.02 39.77 3cfk s PHE 97 CO 0.17 -1.09 1.13 0.34 -1.46 0.00 0.00 175.22 174.32 3cfk s ASP 98 N -4.37 -0.13 0.35 6.13 -1.08 -1.26 -4.92 116.67 111.39 3cfk s ASP 98 Ca 0.57 -0.10 0.04 0.00 -0.52 0.00 0.00 52.55 52.53 3cfk s ASP 98 Cb -0.11 0.17 0.63 0.00 -1.46 0.00 0.00 42.92 42.15 3cfk s ASP 98 CO 0.47 -0.01 1.93 0.58 0.52 0.00 0.00 175.17 178.66 3cfk h VAL 99 N 2.75 1.18 -0.19 1.11 2.07 -1.98 -1.92 116.25 119.27 3cfk h VAL 99 Ca -0.03 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 3cfk h VAL 99 Cb 1.21 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3cfk h VAL 99 CO -0.11 0.22 0.05 1.88 0.02 0.00 0.00 177.57 179.62 3cfk h TYR 100 N 0.62 0.33 0.00 1.57 0.05 -2.06 -2.98 116.97 114.49 3cfk h TYR 100 Ca 0.15 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.89 3cfk h TYR 100 Cb 0.17 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.82 3cfk h TYR 100 CO 0.01 0.44 0.00 0.09 -1.05 0.00 0.00 178.16 177.64 3cfk n ASN 100 N -4.77 0.41 -2.47 3.88 3.02 -1.07 -5.25 115.26 109.00 3cfk n ASN 100 Ca -0.04 0.56 -0.03 0.00 -0.03 0.00 0.00 54.58 55.03 3cfk n ASN 100 Cb 0.17 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 3cfk n ASN 100 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3cfk n HIS 100 N -1.90 -2.81 0.00 3.10 8.25 -0.74 -5.11 115.22 116.01 3cfk n HIS 100 Ca 0.05 1.18 0.00 0.00 -0.26 0.00 0.00 57.72 58.70 3cfk n HIS 100 Cb 0.33 -3.44 0.00 0.00 1.12 0.00 0.00 29.99 28.00 3cfk n HIS 100 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3cfk n TYR 100 N 0.03 0.00 -5.00 4.41 4.02 -1.26 -5.05 117.16 114.30 3cfk n TYR 100 Ca 0.05 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.66 3cfk n TYR 100 Cb 0.20 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.36 3cfk n TYR 100 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3cfk s VAL 100 N 0.00 1.73 -0.86 -0.72 1.01 -0.99 -4.99 120.40 115.58 3cfk s VAL 100 Ca 0.00 -0.99 -0.20 0.00 0.00 0.00 0.00 61.98 60.79 3cfk s VAL 100 Cb 0.00 -1.45 0.11 0.00 0.00 0.00 0.00 36.38 35.04 3cfk s VAL 100 CO 0.00 0.44 1.10 -0.76 0.00 0.00 0.00 175.10 175.88 3cfk s LEU 100 N -0.64 4.77 -0.21 3.92 1.43 -1.26 -1.18 118.68 125.50 3cfk s LEU 100 Ca 0.08 -1.71 -0.14 0.00 -1.03 0.00 0.00 54.13 51.33 3cfk s LEU 100 Cb -0.08 -2.42 -0.19 0.00 0.03 0.00 0.00 46.19 43.53 3cfk s LEU 100 CO -0.00 -1.20 0.07 -0.90 0.23 0.00 0.00 176.35 174.55 3cfk n ASP 101 N 7.03 1.96 -4.44 2.29 5.75 -0.83 -4.90 116.55 123.41 3cfk n ASP 101 Ca 0.17 0.30 -0.33 0.00 -0.01 0.00 0.00 54.79 54.91 3cfk n ASP 101 Cb 0.48 -0.85 -0.13 0.00 -1.03 0.00 0.00 41.12 39.59 3cfk n ASP 101 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3cfk s TYR 102 N -2.46 2.89 -0.05 2.11 2.02 -1.25 -4.99 117.35 115.63 3cfk s TYR 102 Ca -0.30 -0.43 0.07 0.00 -0.37 0.00 0.00 57.07 56.03 3cfk s TYR 102 Cb 0.08 -1.86 -0.01 0.00 -0.40 0.00 0.00 41.96 39.77 3cfk s TYR 102 CO 0.61 -0.07 -0.25 -1.58 -1.57 0.00 0.00 175.55 172.69 3cfk s TRP 103 N 0.17 2.36 0.98 2.71 0.52 -1.26 -0.69 118.94 123.74 3cfk s TRP 103 Ca -0.05 -0.63 -0.12 0.00 0.02 0.00 0.00 56.10 55.31 3cfk s TRP 103 Cb -0.15 -1.54 0.18 0.00 -1.15 0.00 0.00 33.47 30.81 3cfk s TRP 103 CO 0.04 -0.17 1.11 0.20 0.02 0.00 0.00 176.95 178.15 3cfk s GLY 104 N -0.28 1.56 0.43 0.98 0.00 0.98 -4.86 107.32 106.13 3cfk s GLY 104 Ca 0.00 -0.43 0.24 0.00 0.00 0.00 0.00 44.72 44.53 3cfk s GLY 104 CO 0.02 0.18 1.74 1.46 0.00 0.00 0.00 173.10 176.50 3cfk h GLN 105 N -1.81 0.00 0.00 2.90 4.20 -1.89 -3.44 115.11 115.06 3cfk h GLN 105 Ca -0.54 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.17 3cfk h GLN 105 Cb 1.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.11 3cfk h GLN 105 CO 0.59 0.19 0.00 0.41 -0.67 0.00 0.00 178.83 179.35 3cfk n GLY 106 N 0.50 1.70 3.28 3.46 0.00 -1.26 -4.98 105.19 107.89 3cfk n GLY 106 Ca 0.01 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 43.99 3cfk n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3cfk s THR 107 N -2.38 1.99 0.12 2.61 -1.32 -0.81 -4.88 115.64 110.97 3cfk s THR 107 Ca 0.00 -1.06 -0.26 0.00 -1.21 0.00 0.00 61.69 59.16 3cfk s THR 107 Cb 0.00 -1.67 -0.07 0.00 -1.51 0.00 0.00 72.50 69.25 3cfk s THR 107 CO 0.00 0.56 0.81 -0.55 -2.21 0.00 0.00 174.62 173.23 3cfk s SER 108 N -0.40 7.35 -0.11 8.08 0.15 -1.26 -1.70 113.70 125.81 3cfk s SER 108 Ca 0.04 1.61 0.02 0.00 0.70 0.00 0.00 55.95 58.32 3cfk s SER 108 Cb -0.11 -2.51 0.01 0.00 -1.71 0.00 0.00 66.02 61.70 3cfk s SER 108 CO 0.01 0.09 -0.15 -0.69 1.20 0.00 0.00 173.24 173.70 3cfk s VAL 109 N -0.57 1.49 -0.11 4.45 1.01 -0.65 -0.46 120.40 125.56 3cfk s VAL 109 Ca 0.39 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.76 3cfk s VAL 109 Cb -0.22 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.80 3cfk s VAL 109 CO 0.26 0.44 -0.23 -0.89 0.00 0.00 0.00 175.10 174.68 3cfk s THR 110 N 0.94 2.03 -0.35 3.92 2.01 -0.62 -1.74 115.64 121.84 3cfk s THR 110 Ca -0.08 -0.99 -0.12 0.00 0.31 0.00 0.00 61.69 60.82 3cfk s THR 110 Cb -0.15 -1.78 0.00 0.00 0.01 0.00 0.00 72.50 70.58 3cfk s THR 110 CO -0.01 0.55 0.21 -0.69 -0.69 0.00 0.00 174.62 173.99 3cfk s VAL 111 N 0.54 4.89 -0.19 3.82 1.01 -1.26 -0.61 120.40 128.61 3cfk s VAL 111 Ca -0.14 -0.48 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 3cfk s VAL 111 Cb -0.17 -3.58 0.12 0.00 0.00 0.00 0.00 36.38 32.75 3cfk s VAL 111 CO 0.05 -0.07 0.96 -0.55 0.00 0.00 0.00 175.10 175.49 3cfk s SER 112 N 1.64 -0.44 0.00 3.32 0.15 -0.21 -4.54 113.70 113.62 3cfk s SER 112 Ca 0.05 0.61 0.22 0.00 0.70 0.00 0.00 55.95 57.52 3cfk s SER 112 Cb -0.18 0.54 0.67 0.00 -1.71 0.00 0.00 66.02 65.34 3cfk s SER 112 CO 0.08 -0.31 1.51 -1.54 1.20 0.00 0.00 173.24 174.18 3cfk n SER 113 N 1.25 2.06 -4.77 5.45 3.41 -1.26 -4.19 113.62 115.56 3cfk n SER 113 Ca -0.12 -1.77 -0.34 0.00 -0.26 0.00 0.00 58.87 56.38 3cfk n SER 113 Cb 0.57 -0.13 0.02 0.00 -0.26 0.00 0.00 64.21 64.41 3cfk n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cfk s ALA 114 N -1.75 2.62 0.42 7.33 0.00 -1.26 -5.05 121.76 124.07 3cfk s ALA 114 Ca 0.33 0.73 0.00 0.00 0.00 0.00 0.00 51.96 53.03 3cfk s ALA 114 Cb 0.19 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 3cfk s ALA 114 CO 0.28 -0.94 0.64 -1.54 0.00 0.00 0.00 175.76 174.19 3cfk s SER 115 N -2.05 5.99 0.47 0.00 1.04 -1.26 -5.06 113.70 112.83 3cfk s SER 115 Ca 0.71 0.35 -0.23 0.00 0.48 0.00 0.00 55.95 57.26 3cfk s SER 115 Cb -0.23 -1.70 -0.07 0.00 0.10 0.00 0.00 66.02 64.12 3cfk s SER 115 CO 0.32 -0.57 1.20 -0.89 0.98 0.00 0.00 173.24 174.28 3cfk s THR 116 N -2.49 2.91 -0.07 2.02 2.01 -1.26 -4.80 115.64 113.97 3cfk s THR 116 Ca 0.46 0.69 -0.03 0.00 0.31 0.00 0.00 61.69 63.12 3cfk s THR 116 Cb -0.10 -3.35 0.04 0.00 0.01 0.00 0.00 72.50 69.10 3cfk s THR 116 CO 0.37 -0.00 0.15 -0.75 -0.69 0.00 0.00 174.62 173.70 3cfk s LYS 117 N -2.70 0.05 0.60 4.92 2.20 0.43 -4.94 119.74 120.30 3cfk s LYS 117 Ca 0.64 0.47 -0.16 0.00 -0.36 0.00 0.00 55.97 56.56 3cfk s LYS 117 Cb -0.31 -0.24 -0.03 0.00 -1.51 0.00 0.00 37.83 35.74 3cfk s LYS 117 CO 0.37 -0.25 1.07 0.20 -0.36 0.00 0.00 175.35 176.39 3cfk s GLY 118 N 1.79 2.18 0.43 5.54 0.00 -1.26 -1.03 107.32 114.96 3cfk s GLY 118 Ca -0.02 0.45 -0.14 0.00 0.00 0.00 0.00 44.72 45.01 3cfk s GLY 118 CO -0.06 0.78 0.85 2.56 0.00 0.00 0.00 173.10 177.23 3cfk s PRO 119 N -3.99 3.92 0.11 2.90 0.04 -1.26 -4.50 135.00 132.23 3cfk s PRO 119 Ca 0.65 0.72 -0.16 0.00 0.04 0.00 0.00 61.00 62.25 3cfk s PRO 119 Cb -0.17 -2.30 -0.07 0.00 0.04 0.00 0.00 34.50 32.00 3cfk s PRO 119 CO 0.36 -0.07 0.54 -1.12 0.04 0.00 0.00 177.00 176.75 3cfk s SER 120 N -2.87 6.89 -0.19 6.66 0.01 -0.07 -4.91 113.70 119.22 3cfk s SER 120 Ca 0.55 1.12 -0.01 0.00 1.31 0.00 0.00 55.95 58.92 3cfk s SER 120 Cb -0.10 -2.30 0.01 0.00 0.21 0.00 0.00 66.02 63.83 3cfk s SER 120 CO 0.27 0.17 -0.14 -0.69 0.41 0.00 0.00 173.24 173.26 3cfk s VAL 121 N -1.33 2.56 -0.04 3.43 1.01 -1.26 -0.60 120.40 124.17 3cfk s VAL 121 Ca 0.34 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.61 3cfk s VAL 121 Cb -0.16 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 3cfk s VAL 121 CO 0.19 0.50 -0.25 -0.36 0.00 0.00 0.00 175.10 175.18 3cfk s PHE 122 N 1.26 2.32 0.42 5.22 0.08 0.09 -4.95 117.98 122.42 3cfk s PHE 122 Ca 0.03 -0.58 -0.24 0.00 0.12 0.00 0.00 56.93 56.26 3cfk s PHE 122 Cb -0.14 -1.51 -0.08 0.00 -0.57 0.00 0.00 43.02 40.72 3cfk s PHE 122 CO -0.08 -0.13 1.18 -1.25 -0.10 0.00 0.00 175.22 174.84 3cfk s PRO 123 N -0.35 3.95 -0.72 0.24 0.04 -1.26 0.20 135.00 137.10 3cfk s PRO 123 Ca 0.03 1.83 -0.06 0.00 0.04 0.00 0.00 61.00 62.84 3cfk s PRO 123 Cb -0.12 -2.59 0.19 0.00 0.04 0.00 0.00 34.50 32.02 3cfk s PRO 123 CO 0.01 -0.40 0.58 -0.51 0.04 0.00 0.00 177.00 176.72 3cfk s LEU 124 N -2.66 5.75 0.28 -3.56 1.43 0.32 -4.76 118.68 115.48 3cfk s LEU 124 Ca 0.59 -2.89 -0.29 0.00 -1.03 0.00 0.00 54.13 50.50 3cfk s LEU 124 Cb -0.30 -1.97 -0.10 0.00 0.03 0.00 0.00 46.19 43.84 3cfk s LEU 124 CO 0.38 -0.41 1.36 0.00 0.23 0.00 0.00 176.35 177.90 3cfk s ALA 125 N -0.13 3.55 0.57 4.21 0.00 -1.26 -1.40 121.76 127.30 3cfk s ALA 125 Ca 0.18 1.27 -0.10 0.00 0.00 0.00 0.00 51.96 53.31 3cfk s ALA 125 Cb -0.16 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 3cfk s ALA 125 CO -0.06 -0.67 0.96 -1.25 0.00 0.00 0.00 175.76 174.75 3cfk s PRO 126 N -1.04 3.62 -0.03 0.00 0.04 -1.26 -4.84 135.00 131.50 3cfk s PRO 126 Ca 0.54 0.64 0.02 0.00 0.04 0.00 0.00 61.00 62.24 3cfk s PRO 126 Cb -0.40 -2.16 0.01 0.00 0.04 0.00 0.00 34.50 31.99 3cfk s PRO 126 CO 0.47 -0.45 -0.08 0.45 0.04 0.00 0.00 177.00 177.44 3cfk s SER 127 N -4.05 1.11 0.55 6.66 0.15 -1.26 -1.87 113.70 115.00 3cfk s SER 127 Ca 0.54 -0.17 0.31 0.00 0.70 0.00 0.00 55.95 57.32 3cfk s SER 127 Cb -0.11 -0.35 1.47 0.00 -1.71 0.00 0.00 66.02 65.32 3cfk s SER 127 CO 0.50 0.04 1.88 -1.28 1.20 0.00 0.00 173.24 175.57 3cfk h SER 128 N 6.55 0.00 0.53 5.45 0.87 -1.97 -1.28 113.55 123.70 3cfk h SER 128 Ca -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 3cfk h SER 128 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 3cfk h SER 128 CO 0.49 0.00 -0.34 0.29 -0.53 0.00 0.00 176.83 176.74 3cfk n LYS 129 N -4.09 0.21 -2.85 2.24 5.02 -1.26 -4.43 118.16 113.00 3cfk n LYS 129 Ca 0.16 -0.10 -0.30 0.00 -2.02 0.00 0.00 58.31 56.04 3cfk n LYS 129 Cb 0.89 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.37 3cfk n LYS 129 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3cfk n SER 130 N -1.31 5.14 -4.89 4.39 7.64 -0.48 -5.05 113.62 119.07 3cfk n SER 130 Ca 0.08 -3.69 -0.32 0.00 1.01 0.00 0.00 58.87 55.95 3cfk n SER 130 Cb 0.33 -0.69 -0.05 0.00 -1.01 0.00 0.00 64.21 62.80 3cfk n SER 130 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3cfk s THR 133 N -4.50 5.23 -0.09 0.44 -4.23 -1.26 -4.61 115.64 106.61 3cfk s THR 133 Ca 0.47 -0.40 -0.07 0.00 -1.18 0.00 0.00 61.69 60.51 3cfk s THR 133 Cb 0.27 -3.51 0.03 0.00 1.34 0.00 0.00 72.50 70.63 3cfk s THR 133 CO -0.14 0.19 0.24 -0.55 -0.54 0.00 0.00 174.62 173.81 3cfk s SER 134 N -2.32 -0.25 -1.50 3.99 0.15 -0.43 -4.89 113.70 108.45 3cfk s SER 134 Ca 0.32 0.49 -0.11 0.00 0.70 0.00 0.00 55.95 57.34 3cfk s SER 134 Cb -0.13 0.45 0.07 0.00 -1.71 0.00 0.00 66.02 64.70 3cfk s SER 134 CO 0.24 -0.11 0.90 0.61 1.20 0.00 0.00 173.24 176.08 3cfk n GLY 135 N 3.43 -0.45 2.51 9.45 0.00 -1.26 -1.53 105.19 117.35 3cfk n GLY 135 Ca -0.17 0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3cfk n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfk n GLY 136 N -1.67 0.93 3.24 -0.02 0.00 -1.26 -5.00 105.19 101.41 3cfk n GLY 136 Ca -0.03 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 3cfk n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cfk s THR 137 N -2.03 1.31 -0.07 2.61 -4.23 -0.58 -2.15 115.64 110.49 3cfk s THR 137 Ca 0.00 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 3cfk s THR 137 Cb 0.00 -1.59 -0.03 0.00 1.34 0.00 0.00 72.50 72.22 3cfk s THR 137 CO 0.00 -0.48 -0.04 0.00 -0.54 0.00 0.00 174.62 173.56 3cfk s ALA 138 N -2.36 3.10 -0.06 3.99 0.00 0.10 -1.31 121.76 125.23 3cfk s ALA 138 Ca 0.10 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.22 3cfk s ALA 138 Cb -0.04 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 3cfk s ALA 138 CO 0.03 0.58 -0.13 0.00 0.00 0.00 0.00 175.76 176.24 3cfk s ALA 139 N -0.86 2.73 0.11 0.00 0.00 -1.26 -0.99 121.76 121.49 3cfk s ALA 139 Ca 0.13 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 51.09 3cfk s ALA 139 Cb -0.11 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.94 3cfk s ALA 139 CO 0.02 0.54 0.11 -0.48 0.00 0.00 0.00 175.76 175.96 3cfk s LEU 140 N -0.68 1.69 0.00 0.00 0.05 0.05 -3.98 118.68 115.81 3cfk s LEU 140 Ca 0.10 -0.96 -0.08 0.00 0.05 0.00 0.00 54.13 53.24 3cfk s LEU 140 Cb -0.11 0.63 0.03 0.00 -2.05 0.00 0.00 46.19 44.69 3cfk s LEU 140 CO 0.01 -0.74 0.37 0.61 -0.55 0.00 0.00 176.35 176.06 3cfk n GLY 141 N -0.06 0.74 2.99 -3.48 0.00 -0.49 0.38 105.19 105.27 3cfk n GLY 141 Ca -0.10 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 3cfk n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cfk s LEU 143 N 0.52 4.59 -0.47 0.00 2.96 0.13 -1.19 118.68 125.23 3cfk s LEU 143 Ca -0.09 -0.38 -0.14 0.00 -0.22 0.00 0.00 54.13 53.30 3cfk s LEU 143 Cb -0.13 -2.38 0.08 0.00 0.50 0.00 0.00 46.19 44.26 3cfk s LEU 143 CO 0.02 -0.45 0.38 -0.69 -1.32 0.00 0.00 176.35 174.28 3cfk s VAL 144 N 2.10 5.00 0.02 1.68 1.01 0.11 -0.73 120.40 129.59 3cfk s VAL 144 Ca 0.13 -1.19 0.08 0.00 0.00 0.00 0.00 61.98 61.00 3cfk s VAL 144 Cb -0.17 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 3cfk s VAL 144 CO 0.13 -0.59 -0.23 -0.75 0.00 0.00 0.00 175.10 173.65 3cfk s LYS 145 N 1.59 1.68 -0.77 2.72 2.20 0.23 -0.91 119.74 126.48 3cfk s LYS 145 Ca 0.04 -0.95 -0.04 0.00 -0.36 0.00 0.00 55.97 54.65 3cfk s LYS 145 Cb -0.25 -1.76 -0.05 0.00 -1.51 0.00 0.00 37.83 34.27 3cfk s LYS 145 CO 0.05 0.46 0.67 -0.25 -0.36 0.00 0.00 175.35 175.93 3cfk n ASP 146 N 2.06 -5.14 -4.40 1.43 8.00 -0.56 -0.89 116.55 117.04 3cfk n ASP 146 Ca -0.16 -0.51 -0.22 0.00 0.71 0.00 0.00 54.79 54.60 3cfk n ASP 146 Cb 0.52 -3.92 -0.10 0.00 -0.02 0.00 0.00 41.12 37.60 3cfk n ASP 146 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3cfk s TYR 147 N -3.28 2.02 -0.27 1.24 1.13 -0.79 -4.28 117.35 113.11 3cfk s TYR 147 Ca 0.31 -0.44 -0.21 0.00 -1.41 0.00 0.00 57.07 55.32 3cfk s TYR 147 Cb -0.04 -0.93 0.08 0.00 -1.10 0.00 0.00 41.96 39.96 3cfk s TYR 147 CO 0.54 0.50 0.73 0.12 -2.51 0.00 0.00 175.55 174.92 3cfk s PHE 148 N -2.43 -0.87 0.38 -3.49 5.36 -0.20 -0.80 117.98 115.94 3cfk s PHE 148 Ca 0.23 1.96 -0.01 0.00 -0.96 0.00 0.00 56.93 58.15 3cfk s PHE 148 Cb -0.04 0.41 0.08 0.00 -0.34 0.00 0.00 43.02 43.13 3cfk s PHE 148 CO 0.10 -0.43 0.53 -0.35 -1.46 0.00 0.00 175.22 173.61 3cfk n PRO 149 N 3.29 0.16 -1.00 10.12 -0.04 -1.26 -0.43 135.00 145.84 3cfk n PRO 149 Ca -0.16 -1.36 -0.32 0.00 -0.04 0.00 0.00 63.50 61.62 3cfk n PRO 149 Cb 0.57 -0.37 0.13 0.00 -0.04 0.00 0.00 33.50 33.78 3cfk n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3cfk s GLU 150 N -3.84 1.58 0.46 0.54 0.41 -1.26 -4.75 118.70 111.84 3cfk s GLU 150 Ca 0.34 1.50 0.08 0.00 -0.41 0.00 0.00 54.97 56.48 3cfk s GLU 150 Cb -0.02 -1.79 0.02 0.00 -1.78 0.00 0.00 34.13 30.56 3cfk s GLU 150 CO 0.23 -2.20 0.58 -1.25 -0.49 0.00 0.00 175.26 172.12 3cfk s PRO 151 N -4.55 2.61 0.01 0.39 0.04 -1.26 -4.94 135.00 127.31 3cfk s PRO 151 Ca 0.67 -1.44 0.07 0.00 0.04 0.00 0.00 61.00 60.33 3cfk s PRO 151 Cb -0.23 -2.62 -0.03 0.00 0.04 0.00 0.00 34.50 31.66 3cfk s PRO 151 CO 0.55 -0.42 -0.19 0.14 0.04 0.00 0.00 177.00 177.12 3cfk s VAL 152 N -2.48 2.73 -0.11 -0.36 -7.23 -1.26 -4.52 120.40 107.18 3cfk s VAL 152 Ca 0.54 -1.08 -0.05 0.00 -1.81 0.00 0.00 61.98 59.58 3cfk s VAL 152 Cb -0.07 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 3cfk s VAL 152 CO 0.33 0.42 0.08 0.42 -0.31 0.00 0.00 175.10 176.05 3cfk s THR 153 N -0.84 5.02 -0.04 5.32 -4.23 -0.81 -4.98 115.64 115.08 3cfk s THR 153 Ca 0.13 0.02 0.03 0.00 -1.18 0.00 0.00 61.69 60.70 3cfk s THR 153 Cb -0.10 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.57 3cfk s THR 153 CO 0.03 0.60 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.90 3cfk s VAL 154 N -0.85 1.09 0.22 2.29 1.01 -1.26 -1.65 120.40 121.25 3cfk s VAL 154 Ca 0.13 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 3cfk s VAL 154 Cb -0.12 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 3cfk s VAL 154 CO 0.03 0.33 0.23 -0.94 0.00 0.00 0.00 175.10 174.75 3cfk s SER 156 N 0.15 0.16 -0.14 3.32 1.04 -0.34 -4.98 113.70 112.92 3cfk s SER 156 Ca -0.04 -1.28 0.02 0.00 0.48 0.00 0.00 55.95 55.13 3cfk s SER 156 Cb -0.10 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.47 3cfk s SER 156 CO 0.01 -0.94 -0.22 0.26 0.98 0.00 0.00 173.24 173.34 3cfk s TRP 157 N -4.07 2.67 -1.22 5.02 0.52 -1.26 0.06 118.94 120.65 3cfk s TRP 157 Ca 0.35 -1.29 -0.04 0.00 0.02 0.00 0.00 56.10 55.13 3cfk s TRP 157 Cb 0.05 -1.81 -0.01 0.00 -1.15 0.00 0.00 33.47 30.55 3cfk s TRP 157 CO 0.12 -0.58 0.79 0.09 0.02 0.00 0.00 176.95 177.39 3cfk n ASN 162 N 4.00 -2.84 -3.16 2.95 3.02 0.79 -2.05 115.26 117.97 3cfk n ASN 162 Ca -0.20 -0.81 -0.21 0.00 -0.03 0.00 0.00 54.58 53.33 3cfk n ASN 162 Cb 0.52 -4.27 0.00 0.00 -0.61 0.00 0.00 39.78 35.42 3cfk n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3cfk n SER 163 N -3.03 -4.08 0.00 6.41 7.64 -1.26 -1.41 113.62 117.89 3cfk n SER 163 Ca -0.23 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.37 3cfk n SER 163 Cb 0.65 -3.38 0.00 0.00 -1.01 0.00 0.00 64.21 60.48 3cfk n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cfk n GLY 164 N -1.16 1.44 0.24 0.23 0.00 -0.88 -4.90 105.19 100.15 3cfk n GLY 164 Ca -0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.07 3cfk n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cfk h ALA 165 N 0.00 1.30 -3.11 4.61 0.00 -1.19 -3.41 119.26 117.46 3cfk h ALA 165 Ca 0.00 -0.17 -0.70 0.00 0.00 0.00 0.00 54.91 54.04 3cfk h ALA 165 Cb 0.00 -0.03 -0.28 0.00 0.00 0.00 0.00 17.79 17.48 3cfk h ALA 165 CO 0.00 0.24 -0.59 -1.17 0.00 0.00 0.00 179.25 177.73 3cfk s LEU 166 N -7.51 4.38 0.00 0.00 2.96 -0.87 -4.92 118.68 112.72 3cfk s LEU 166 Ca -0.02 -1.14 0.00 0.00 -0.22 0.00 0.00 54.13 52.75 3cfk s LEU 166 Cb 0.13 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.94 3cfk s LEU 166 CO 0.63 -0.34 0.00 0.35 -1.32 0.00 0.00 176.35 175.67 3cfk n THR 167 N 4.83 0.00 -1.66 3.68 -2.24 -1.26 -4.29 114.28 113.33 3cfk n THR 167 Ca -0.12 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.20 3cfk n THR 167 Cb 0.45 -0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.18 3cfk n THR 167 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3cfk n SER 168 N -2.29 2.77 0.00 3.42 7.64 -1.26 -2.27 113.62 121.63 3cfk n SER 168 Ca 0.00 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.00 3cfk n SER 168 Cb 0.42 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 3cfk n SER 168 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cfk n GLY 169 N 2.53 1.02 3.74 0.23 0.00 -1.26 -4.79 105.19 106.66 3cfk n GLY 169 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3cfk n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cfk s VAL 171 N -3.89 4.89 -0.14 1.61 1.01 -0.96 -1.88 120.40 121.04 3cfk s VAL 171 Ca 0.00 1.51 -0.01 0.00 0.00 0.00 0.00 61.98 63.48 3cfk s VAL 171 Cb 0.00 -4.06 0.04 0.00 0.00 0.00 0.00 36.38 32.35 3cfk s VAL 171 CO 0.00 0.32 -0.04 -1.00 0.00 0.00 0.00 175.10 174.38 3cfk s HIS 172 N 0.28 1.40 -0.29 5.22 3.76 -0.14 -5.00 115.29 120.52 3cfk s HIS 172 Ca 0.37 -0.81 -0.12 0.00 -0.15 0.00 0.00 55.06 54.36 3cfk s HIS 172 Cb -0.19 -1.18 -0.04 0.00 1.11 0.00 0.00 32.58 32.28 3cfk s HIS 172 CO 0.20 -0.54 0.22 0.99 -0.85 0.00 0.00 174.74 174.76 3cfk s THR 173 N 1.73 5.29 0.41 1.30 2.01 -1.26 -0.82 115.64 124.30 3cfk s THR 173 Ca 0.02 0.15 -0.18 0.00 0.31 0.00 0.00 61.69 61.99 3cfk s THR 173 Cb -0.14 -3.58 -0.10 0.00 0.01 0.00 0.00 72.50 68.69 3cfk s THR 173 CO -0.07 0.20 0.88 -0.36 -0.69 0.00 0.00 174.62 174.57 3cfk s PHE 174 N 1.79 3.35 0.31 4.92 0.08 -0.66 -5.01 117.98 122.76 3cfk s PHE 174 Ca 0.08 1.45 -0.29 0.00 0.12 0.00 0.00 56.93 58.29 3cfk s PHE 174 Cb -0.16 -2.73 -0.13 0.00 -0.57 0.00 0.00 43.02 39.43 3cfk s PHE 174 CO 0.11 -0.08 1.24 -2.30 -0.10 0.00 0.00 175.22 174.09 3cfk n PRO 175 N -0.69 1.90 -2.01 0.24 -0.02 -1.26 -4.57 135.00 128.58 3cfk n PRO 175 Ca 0.06 0.67 -0.36 0.00 -2.02 0.00 0.00 63.50 61.84 3cfk n PRO 175 Cb 0.54 -2.21 0.03 0.00 -0.02 0.00 0.00 33.50 31.84 3cfk n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cfk s ALA 176 N -0.87 2.56 0.01 3.55 0.00 -1.26 -4.81 121.76 120.94 3cfk s ALA 176 Ca 0.59 1.03 0.06 0.00 0.00 0.00 0.00 51.96 53.64 3cfk s ALA 176 Cb -0.62 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.01 3cfk s ALA 176 CO 0.59 -1.16 -0.17 0.08 0.00 0.00 0.00 175.76 175.09 3cfk s VAL 177 N -1.57 2.82 -0.32 0.00 1.01 0.30 -4.95 120.40 117.68 3cfk s VAL 177 Ca 0.77 -1.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 3cfk s VAL 177 Cb -0.31 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 3cfk s VAL 177 CO 0.34 0.43 0.36 -0.22 0.00 0.00 0.00 175.10 176.01 3cfk s LEU 178 N -1.17 4.33 0.62 3.92 2.96 -1.26 -1.20 118.68 126.88 3cfk s LEU 178 Ca 0.13 -0.11 -0.09 0.00 -0.22 0.00 0.00 54.13 53.84 3cfk s LEU 178 Cb -0.10 -2.36 -0.01 0.00 0.50 0.00 0.00 46.19 44.22 3cfk s LEU 178 CO 0.03 -0.30 0.99 -1.10 -1.32 0.00 0.00 176.35 174.66 3cfk s GLN 179 N 2.03 3.22 0.57 1.98 -0.21 -0.05 -4.94 119.66 122.26 3cfk s GLN 179 Ca 0.12 0.44 0.37 0.00 0.02 0.00 0.00 55.36 56.32 3cfk s GLN 179 Cb -0.16 -2.14 1.87 0.00 1.00 0.00 0.00 33.01 33.58 3cfk s GLN 179 CO 0.11 -0.70 2.13 0.66 -2.12 0.00 0.00 175.29 175.37 3cfk h SER 180 N -0.33 0.00 0.63 5.90 4.64 -1.98 0.80 113.55 123.21 3cfk h SER 180 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3cfk h SER 180 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3cfk h SER 180 CO 0.62 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.04 3cfk n SER 182 N -2.93 0.39 0.00 4.97 3.41 -1.26 -4.88 113.62 113.32 3cfk n SER 182 Ca -0.01 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 3cfk n SER 182 Cb 0.15 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 3cfk n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cfk n GLY 183 N -0.02 0.76 3.85 5.00 0.00 0.28 -5.05 105.19 110.01 3cfk n GLY 183 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 3cfk n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cfk s LEU 184 N 0.00 3.99 0.43 0.99 1.43 -1.26 -4.86 118.68 119.41 3cfk s LEU 184 Ca 0.00 -0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.07 3cfk s LEU 184 Cb 0.00 -2.59 -0.02 0.00 0.03 0.00 0.00 46.19 43.61 3cfk s LEU 184 CO 0.00 0.07 0.67 -0.31 0.23 0.00 0.00 176.35 177.02 3cfk s TYR 185 N -1.72 3.41 -0.18 0.29 2.02 0.02 -0.87 117.35 120.32 3cfk s TYR 185 Ca 0.32 0.45 -0.20 0.00 -0.37 0.00 0.00 57.07 57.26 3cfk s TYR 185 Cb -0.11 -2.20 0.05 0.00 -0.40 0.00 0.00 41.96 39.31 3cfk s TYR 185 CO 0.25 -0.21 0.56 0.45 -1.57 0.00 0.00 175.55 175.04 3cfk s SER 186 N -4.13 -0.57 0.09 2.29 0.15 -0.34 -1.50 113.70 109.68 3cfk s SER 186 Ca 0.46 1.03 -0.11 0.00 0.70 0.00 0.00 55.95 58.03 3cfk s SER 186 Cb -0.10 1.04 0.01 0.00 -1.71 0.00 0.00 66.02 65.27 3cfk s SER 186 CO 0.40 -0.25 0.26 -1.48 1.20 0.00 0.00 173.24 173.36 3cfk s LEU 187 N 0.05 1.08 0.11 3.45 0.05 -0.08 -0.54 118.68 122.80 3cfk s LEU 187 Ca -0.02 -0.48 0.07 0.00 0.05 0.00 0.00 54.13 53.76 3cfk s LEU 187 Cb -0.04 1.28 -0.04 0.00 -2.05 0.00 0.00 46.19 45.35 3cfk s LEU 187 CO 0.02 -0.73 -0.18 -0.94 -0.55 0.00 0.00 176.35 173.96 3cfk s SER 188 N -2.67 2.35 -0.04 1.48 1.04 -1.26 0.04 113.70 114.64 3cfk s SER 188 Ca 0.02 -0.73 0.03 0.00 0.48 0.00 0.00 55.95 55.76 3cfk s SER 188 Cb 0.03 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.03 3cfk s SER 188 CO -0.10 -0.01 -0.13 -0.55 0.98 0.00 0.00 173.24 173.44 3cfk s SER 189 N -2.10 1.68 0.12 7.02 0.15 -0.33 -1.65 113.70 118.59 3cfk s SER 189 Ca 0.07 -0.27 0.05 0.00 0.70 0.00 0.00 55.95 56.50 3cfk s SER 189 Cb -0.08 -0.54 -0.04 0.00 -1.71 0.00 0.00 66.02 63.65 3cfk s SER 189 CO 0.04 0.09 -0.13 0.68 1.20 0.00 0.00 173.24 175.12 3cfk s VAL 190 N 0.25 1.25 -0.05 4.45 -7.23 -0.00 -0.57 120.40 118.50 3cfk s VAL 190 Ca -0.06 -1.71 0.03 0.00 -1.81 0.00 0.00 61.98 58.43 3cfk s VAL 190 Cb -0.11 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.33 3cfk s VAL 190 CO 0.02 -0.45 -0.13 -0.69 -0.31 0.00 0.00 175.10 173.53 3cfk s VAL 191 N -2.23 1.17 -0.02 1.32 1.01 0.16 -0.97 120.40 120.84 3cfk s VAL 191 Ca 0.08 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3cfk s VAL 191 Cb -0.04 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 3cfk s VAL 191 CO 0.02 0.35 -0.04 0.42 0.00 0.00 0.00 175.10 175.86 3cfk s THR 192 N 0.29 3.92 0.04 3.92 -4.23 -0.79 -0.77 115.64 118.02 3cfk s THR 192 Ca -0.07 -0.59 0.01 0.00 -1.18 0.00 0.00 61.69 59.85 3cfk s THR 192 Cb -0.12 -2.69 -0.03 0.00 1.34 0.00 0.00 72.50 71.00 3cfk s THR 192 CO 0.02 0.45 -0.05 0.68 -0.54 0.00 0.00 174.62 175.18 3cfk s VAL 193 N -0.98 0.34 0.25 2.29 -7.23 -0.16 -4.56 120.40 110.35 3cfk s VAL 193 Ca 0.17 -1.19 -0.31 0.00 -1.81 0.00 0.00 61.98 58.84 3cfk s VAL 193 Cb -0.11 -0.69 -0.13 0.00 0.56 0.00 0.00 36.38 36.01 3cfk s VAL 193 CO 0.07 -0.56 1.48 -2.65 -0.31 0.00 0.00 175.10 173.13 3cfk n PRO 194 N 1.20 2.27 -0.22 4.82 -0.02 -1.26 0.02 135.00 141.80 3cfk n PRO 194 Ca -0.21 0.81 -0.02 0.00 -2.02 0.00 0.00 63.50 62.06 3cfk n PRO 194 Cb 0.56 -2.51 0.05 0.00 -0.02 0.00 0.00 33.50 31.57 3cfk n PRO 194 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3cfk h SER 195 N 4.54 -0.85 0.29 2.55 0.02 -1.71 -0.70 113.55 117.69 3cfk h SER 195 Ca -0.46 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 3cfk h SER 195 Cb 1.26 0.49 0.00 0.00 0.14 0.00 0.00 62.40 64.28 3cfk h SER 195 CO 0.78 -0.26 0.00 -1.20 -1.14 0.00 0.00 176.83 175.01 3cfk n SER 196 N -5.45 0.16 -0.80 3.07 7.64 -1.26 -1.99 113.62 114.99 3cfk n SER 196 Ca 0.07 0.55 0.11 0.00 1.01 0.00 0.00 58.87 60.61 3cfk n SER 196 Cb 0.36 -0.58 0.30 0.00 -1.01 0.00 0.00 64.21 63.27 3cfk n SER 196 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3cfk n SER 197 N -1.69 2.39 0.25 6.43 3.41 -0.27 -4.69 113.62 119.46 3cfk n SER 197 Ca 0.01 -1.84 -0.16 0.00 -0.26 0.00 0.00 58.87 56.63 3cfk n SER 197 Cb 0.10 -0.16 -0.08 0.00 -0.26 0.00 0.00 64.21 63.81 3cfk n SER 197 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3cfk h LEU 198 N 3.14 -0.84 0.00 1.04 5.85 -1.50 -1.76 115.31 121.23 3cfk h LEU 198 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3cfk h LEU 198 Cb 0.69 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.99 3cfk h LEU 198 CO 0.00 -0.48 0.00 0.61 -0.34 0.00 0.00 178.44 178.23 3cfk n GLY 199 N -1.45 -0.65 0.20 3.75 0.00 -1.26 -3.89 105.19 101.89 3cfk n GLY 199 Ca -0.11 -0.09 0.07 0.00 0.00 0.00 0.00 46.02 45.89 3cfk n GLY 199 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3cfk h THR 200 N 0.00 0.70 -3.46 2.61 2.02 -1.63 -3.46 112.91 109.69 3cfk h THR 200 Ca 0.00 -1.42 -0.04 0.00 0.77 0.00 0.00 66.41 65.72 3cfk h THR 200 Cb 0.06 1.92 -0.10 0.00 -1.74 0.00 0.00 68.15 68.29 3cfk h THR 200 CO 0.00 0.31 -0.06 0.00 0.37 0.00 0.00 175.52 176.14 3cfk s GLN 203 N -3.53 1.37 0.16 6.66 -2.07 -1.25 -5.15 119.66 115.85 3cfk s GLN 203 Ca 0.01 -0.99 -0.20 0.00 -1.82 0.00 0.00 55.36 52.36 3cfk s GLN 203 Cb 0.10 0.49 -0.08 0.00 -1.09 0.00 0.00 33.01 32.43 3cfk s GLN 203 CO 0.67 -0.57 0.67 0.99 -1.32 0.00 0.00 175.29 175.74 3cfk s THR 205 N -3.91 4.60 -0.18 3.63 2.01 -1.26 -5.04 115.64 115.48 3cfk s THR 205 Ca 0.13 1.30 0.01 0.00 0.31 0.00 0.00 61.69 63.44 3cfk s THR 205 Cb -0.00 -3.91 0.03 0.00 0.01 0.00 0.00 72.50 68.62 3cfk s THR 205 CO -0.00 0.37 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.83 3cfk s TYR 206 N -1.33 2.57 -0.12 4.92 2.02 -1.26 -4.96 117.35 119.18 3cfk s TYR 206 Ca 0.37 -1.58 0.01 0.00 -0.37 0.00 0.00 57.07 55.51 3cfk s TYR 206 Cb -0.19 -1.77 0.02 0.00 -0.40 0.00 0.00 41.96 39.63 3cfk s TYR 206 CO 0.21 -0.76 -0.16 0.42 -1.57 0.00 0.00 175.55 173.70 3cfk s ILE 207 N 1.35 1.58 -0.10 2.71 1.01 -1.26 -1.06 121.20 125.43 3cfk s ILE 207 Ca 0.02 -0.67 -0.16 0.00 0.00 0.00 0.00 60.65 59.84 3cfk s ILE 207 Cb -0.14 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 3cfk s ILE 207 CO -0.10 0.46 0.40 0.00 0.00 0.00 0.00 174.94 175.69 3cfk s ASN 209 N 0.06 5.22 -0.16 0.00 -0.87 0.11 -1.49 114.94 117.81 3cfk s ASN 209 Ca 0.23 -0.15 0.01 0.00 -1.57 0.00 0.00 52.86 51.37 3cfk s ASN 209 Cb -0.15 -1.93 0.02 0.00 -0.02 0.00 0.00 41.25 39.17 3cfk s ASN 209 CO 0.09 0.01 -0.17 -0.69 -2.57 0.00 0.00 177.10 173.77 3cfk s VAL 210 N 1.36 1.82 -0.05 1.60 1.01 0.71 -1.20 120.40 125.65 3cfk s VAL 210 Ca 0.05 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.29 3cfk s VAL 210 Cb -0.15 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 3cfk s VAL 210 CO 0.04 0.50 -0.21 0.21 0.00 0.00 0.00 175.10 175.64 3cfk s ASN 211 N 1.34 3.48 -0.35 3.32 2.47 -0.66 -0.87 114.94 123.66 3cfk s ASN 211 Ca 0.04 -0.38 -0.00 0.00 0.42 0.00 0.00 52.86 52.94 3cfk s ASN 211 Cb -0.13 -0.78 0.12 0.00 -1.45 0.00 0.00 41.25 39.00 3cfk s ASN 211 CO -0.11 0.29 0.16 -2.28 -3.72 0.00 0.00 177.10 171.45 3cfk s HIS 212 N -0.42 1.48 0.18 0.43 5.65 0.38 -1.92 115.29 121.07 3cfk s HIS 212 Ca 0.04 -1.84 -0.13 0.00 0.25 0.00 0.00 55.06 53.38 3cfk s HIS 212 Cb -0.12 -1.55 0.12 0.00 -1.18 0.00 0.00 32.58 29.86 3cfk s HIS 212 CO 0.02 -0.84 1.80 0.87 -0.65 0.00 0.00 174.74 175.94 3cfk h LYS 213 N 7.52 0.55 -0.47 2.88 1.57 -1.82 -1.70 116.57 125.10 3cfk h LYS 213 Ca -0.07 -0.03 0.13 0.00 -1.87 0.00 0.00 60.65 58.80 3cfk h LYS 213 Cb 0.98 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 3cfk h LYS 213 CO 0.43 0.37 0.33 -1.35 -0.57 0.00 0.00 179.45 178.66 3cfk h PRO 214 N 0.57 0.05 -0.39 3.15 0.11 -1.92 -1.09 132.00 132.48 3cfk h PRO 214 Ca 0.22 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3cfk h PRO 214 Cb 0.08 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.18 3cfk h PRO 214 CO -0.12 0.03 0.00 -1.13 -0.21 0.00 0.00 178.00 176.57 3cfk n SER 215 N -4.41 3.03 -3.66 -2.05 3.41 -1.06 -4.97 113.62 103.90 3cfk n SER 215 Ca 0.08 -1.98 -0.28 0.00 -0.26 0.00 0.00 58.87 56.43 3cfk n SER 215 Cb 0.51 -0.26 0.01 0.00 -0.26 0.00 0.00 64.21 64.21 3cfk n SER 215 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3cfk n ASN 216 N 0.67 -4.24 -4.60 4.04 3.02 -0.41 -4.88 115.26 108.86 3cfk n ASN 216 Ca 0.13 -0.61 -0.40 0.00 -0.03 0.00 0.00 54.58 53.67 3cfk n ASN 216 Cb 0.45 -3.45 -0.09 0.00 -0.61 0.00 0.00 39.78 36.08 3cfk n ASN 216 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3cfk s THR 217 N -3.13 5.14 -0.12 3.41 2.01 -0.83 -4.97 115.64 117.15 3cfk s THR 217 Ca 0.54 0.56 0.03 0.00 0.31 0.00 0.00 61.69 63.13 3cfk s THR 217 Cb -0.28 -3.75 0.01 0.00 0.01 0.00 0.00 72.50 68.49 3cfk s THR 217 CO 0.67 0.10 -0.23 -0.54 -0.69 0.00 0.00 174.62 173.92 3cfk s LYS 218 N 2.13 3.03 -0.03 4.92 1.02 -1.26 -0.47 119.74 129.08 3cfk s LYS 218 Ca 0.16 -0.86 0.01 0.00 0.02 0.00 0.00 55.97 55.29 3cfk s LYS 218 Cb -0.16 -2.37 0.02 0.00 -0.52 0.00 0.00 37.83 34.80 3cfk s LYS 218 CO 0.10 0.07 -0.03 0.08 -0.92 0.00 0.00 175.35 174.66 3cfk s VAL 219 N 0.60 0.35 -0.27 3.17 1.01 -0.05 -5.00 120.40 120.20 3cfk s VAL 219 Ca -0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 3cfk s VAL 219 Cb -0.17 -0.38 0.02 0.00 0.00 0.00 0.00 36.38 35.86 3cfk s VAL 219 CO 0.03 0.16 -0.00 -1.81 0.00 0.00 0.00 175.10 173.48 3cfk s ASP 220 N 0.66 4.68 -0.24 3.32 1.01 -1.26 -0.21 116.67 124.64 3cfk s ASP 220 Ca -0.07 -0.87 -0.02 0.00 0.71 0.00 0.00 52.55 52.30 3cfk s ASP 220 Cb -0.11 -1.75 0.02 0.00 1.01 0.00 0.00 42.92 42.09 3cfk s ASP 220 CO -0.01 -0.17 -0.06 -0.75 0.21 0.00 0.00 175.17 174.39 3cfk s LYS 221 N 1.38 3.01 0.03 8.23 2.47 -0.56 -4.97 119.74 129.34 3cfk s LYS 221 Ca 0.00 -0.86 -0.30 0.00 -1.56 0.00 0.00 55.97 53.25 3cfk s LYS 221 Cb -0.17 -2.97 -0.04 0.00 -1.46 0.00 0.00 37.83 33.18 3cfk s LYS 221 CO -0.02 -0.33 1.08 0.21 0.16 0.00 0.00 175.35 176.45 3cfk s LYS 222 N 1.37 4.51 -0.66 4.03 2.20 -1.26 -1.87 119.74 128.06 3cfk s LYS 222 Ca 0.02 1.58 -0.09 0.00 -0.36 0.00 0.00 55.97 57.12 3cfk s LYS 222 Cb -0.16 -3.41 0.17 0.00 -1.51 0.00 0.00 37.83 32.93 3cfk s LYS 222 CO -0.05 -0.13 0.54 0.08 -0.36 0.00 0.00 175.35 175.43 3cfk s VAL 223 N 0.99 4.62 -0.12 4.02 1.01 -0.23 -4.94 120.40 125.74 3cfk s VAL 223 Ca 0.55 -2.40 -0.27 0.00 0.00 0.00 0.00 61.98 59.85 3cfk s VAL 223 Cb -0.25 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 3cfk s VAL 223 CO 0.29 -0.91 0.90 -1.61 0.00 0.00 0.00 175.10 173.77 3cfk s GLU 226 N 0.47 4.38 -0.47 2.72 2.02 -1.26 -4.55 118.70 122.00 3cfk s GLU 226 Ca 0.14 1.18 -0.42 0.00 0.02 0.00 0.00 54.97 55.88 3cfk s GLU 226 Cb -0.19 -3.54 -0.18 0.00 0.10 0.00 0.00 34.13 30.32 3cfk s GLU 226 CO -0.04 -0.27 1.81 -2.30 0.02 0.00 0.00 175.26 174.48 3cfk n PRO 227 N 4.93 0.00 0.00 0.39 -0.02 -1.26 -4.53 135.00 134.51 3cfk n PRO 227 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3cfk n PRO 227 Cb 0.49 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 3cfk n PRO 227 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11