#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 4.36 -0.02 2.62 1.01 -1.26 -3.92 120.40 123.19 3cfk s VAL 2 Ca 0.00 1.73 0.05 0.00 0.00 0.00 0.00 61.98 63.76 3cfk s VAL 2 Cb 0.00 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 3cfk s VAL 2 CO 0.00 0.15 -0.18 -0.54 0.00 0.00 0.00 175.10 174.53 3cfk s LYS 3 N 0.88 1.54 -0.40 2.72 1.02 -0.55 -4.98 119.74 119.96 3cfk s LYS 3 Ca 0.55 -0.65 0.01 0.00 0.02 0.00 0.00 55.97 55.90 3cfk s LYS 3 Cb -0.26 -1.46 0.14 0.00 -0.52 0.00 0.00 37.83 35.73 3cfk s LYS 3 CO 0.29 0.37 0.24 -0.51 -0.92 0.00 0.00 175.35 174.82 3cfk s LEU 4 N -0.35 1.90 -0.40 3.17 1.43 -1.26 -2.09 118.68 121.08 3cfk s LEU 4 Ca 0.05 -2.49 -0.21 0.00 -1.03 0.00 0.00 54.13 50.46 3cfk s LEU 4 Cb -0.08 -0.73 0.01 0.00 0.03 0.00 0.00 46.19 45.43 3cfk s LEU 4 CO -0.00 -0.28 0.65 -0.76 0.23 0.00 0.00 176.35 176.19 3cfk s LEU 5 N 0.61 4.37 0.41 1.79 1.43 -0.48 -4.13 118.68 122.69 3cfk s LEU 5 Ca 0.19 -0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 53.07 3cfk s LEU 5 Cb -0.21 -2.77 -0.06 0.00 0.03 0.00 0.00 46.19 43.17 3cfk s LEU 5 CO -0.01 -0.71 0.79 -1.61 0.23 0.00 0.00 176.35 175.04 3cfk s GLU 6 N 2.81 3.79 0.30 1.70 8.01 -1.26 -1.25 118.70 132.79 3cfk s GLU 6 Ca 0.24 0.50 -0.20 0.00 0.01 0.00 0.00 54.97 55.52 3cfk s GLU 6 Cb -0.14 -2.37 0.03 0.00 -4.31 0.00 0.00 34.13 27.34 3cfk s GLU 6 CO 0.18 -0.06 0.76 -1.54 0.01 0.00 0.00 175.26 174.60 3cfk s SER 7 N -3.17 -0.19 0.00 -0.19 1.04 0.05 -4.86 113.70 106.38 3cfk s SER 7 Ca 0.52 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 56.22 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 0.32 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 173.75 3cfk n GLY 8 N -0.48 0.60 3.05 7.32 0.00 -1.26 -1.34 105.19 113.08 3cfk n GLY 8 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.34 -1.75 0.00 -0.02 0.00 -1.26 -4.70 105.19 96.12 3cfk n GLY 9 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.36 0.76 3.72 -0.02 0.00 0.73 -4.95 105.19 103.07 3cfk n GLY 10 Ca 0.13 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 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 4.37 0.08 0.99 2.96 -1.26 -1.48 118.68 124.34 3cfk s LEU 11 Ca 0.00 1.44 0.05 0.00 -0.22 0.00 0.00 54.13 55.41 3cfk s LEU 11 Cb 0.00 -3.32 -0.03 0.00 0.50 0.00 0.00 46.19 43.34 3cfk s LEU 11 CO 0.00 -0.14 -0.14 0.00 -1.32 0.00 0.00 176.35 174.75 3cfk s ALA 12 N 0.68 1.23 0.24 5.97 0.00 -0.17 -4.96 121.76 124.73 3cfk s ALA 12 Ca 0.44 -1.05 -0.15 0.00 0.00 0.00 0.00 51.96 51.20 3cfk s ALA 12 Cb -0.20 -0.09 -0.08 0.00 0.00 0.00 0.00 23.12 22.75 3cfk s ALA 12 CO 0.23 0.15 0.65 -0.65 0.00 0.00 0.00 175.76 176.15 3cfk s GLN 13 N -1.91 4.02 0.30 0.00 -0.21 -1.26 -1.60 119.66 118.99 3cfk s GLN 13 Ca -0.00 0.60 -0.30 0.00 0.02 0.00 0.00 55.36 55.68 3cfk s GLN 13 Cb -0.09 -2.70 -0.12 0.00 1.00 0.00 0.00 33.01 31.09 3cfk s GLN 13 CO 0.02 0.32 1.40 -2.30 -2.12 0.00 0.00 175.29 172.61 3cfk n PRO 14 N 0.23 2.23 0.00 2.91 -0.02 -1.26 -1.56 135.00 137.52 3cfk n PRO 14 Ca -0.01 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3cfk n PRO 14 Cb 0.52 -2.44 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 1.50 2.96 3.78 -1.23 0.00 0.89 -4.90 105.19 108.19 3cfk n GLY 15 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.72 1.64 0.42 -0.02 0.00 -0.60 -3.80 107.32 103.24 3cfk s GLY 16 Ca 0.00 -0.87 0.07 0.00 0.00 0.00 0.00 44.72 43.92 3cfk s GLY 16 CO 0.00 -0.15 0.09 -1.35 0.00 0.00 0.00 173.10 171.69 3cfk s SER 17 N -4.28 4.13 -0.20 1.64 1.04 -1.26 -2.50 113.70 112.27 3cfk s SER 17 Ca 0.69 -1.27 -0.27 0.00 0.48 0.00 0.00 55.95 55.59 3cfk s SER 17 Cb -0.10 -0.36 0.09 0.00 0.10 0.00 0.00 66.02 65.75 3cfk s SER 17 CO 0.54 -0.53 0.80 -0.22 0.98 0.00 0.00 173.24 174.81 3cfk s LEU 18 N -3.81 -0.63 -0.25 2.42 2.96 -0.32 -4.98 118.68 114.07 3cfk s LEU 18 Ca 0.36 1.05 0.03 0.00 -0.22 0.00 0.00 54.13 55.34 3cfk s LEU 18 Cb 0.07 2.32 0.05 0.00 0.50 0.00 0.00 46.19 49.13 3cfk s LEU 18 CO 0.19 -0.33 -0.12 -0.75 -1.32 0.00 0.00 176.35 174.02 3cfk s LYS 19 N -0.20 2.33 0.29 1.98 2.20 -1.26 -0.29 119.74 124.78 3cfk s LYS 19 Ca -0.02 -1.25 -0.10 0.00 -0.36 0.00 0.00 55.97 54.24 3cfk s LYS 19 Cb -0.03 -2.82 -0.07 0.00 -1.51 0.00 0.00 37.83 33.40 3cfk s LYS 19 CO 0.02 -0.51 0.63 -0.51 -0.36 0.00 0.00 175.35 174.62 3cfk s LEU 20 N 1.15 4.07 0.11 5.43 1.43 0.05 -4.63 118.68 126.30 3cfk s LEU 20 Ca -0.07 1.01 -0.03 0.00 -1.03 0.00 0.00 54.13 54.01 3cfk s LEU 20 Cb -0.19 -3.81 -0.03 0.00 0.03 0.00 0.00 46.19 42.19 3cfk s LEU 20 CO -0.06 -0.18 0.09 -0.94 0.23 0.00 0.00 176.35 175.50 3cfk s SER 21 N -2.58 0.28 -0.19 2.29 1.04 -0.45 -1.42 113.70 112.67 3cfk s SER 21 Ca 0.49 -1.04 -0.07 0.00 0.48 0.00 0.00 55.95 55.81 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 0.23 -0.73 0.40 0.00 0.98 0.00 0.00 173.24 174.12 3cfk s ALA 23 N 2.34 3.37 0.04 0.00 0.00 -0.38 -0.89 121.76 126.23 3cfk s ALA 23 Ca -0.03 -0.77 0.08 0.00 0.00 0.00 0.00 51.96 51.24 3cfk s ALA 23 Cb -0.11 -1.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 3cfk s ALA 23 CO -0.12 0.43 -0.23 0.00 0.00 0.00 0.00 175.76 175.84 3cfk s ALA 24 N -0.40 2.39 0.19 0.00 0.00 -0.27 -1.38 121.76 122.29 3cfk s ALA 24 Ca 0.08 -1.22 -0.09 0.00 0.00 0.00 0.00 51.96 50.74 3cfk s ALA 24 Cb -0.12 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 3cfk s ALA 24 CO 0.02 0.55 0.31 -1.54 0.00 0.00 0.00 175.76 175.09 3cfk s SER 25 N -1.25 0.03 0.00 0.00 1.04 -0.89 -4.82 113.70 107.81 3cfk s SER 25 Ca 0.13 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.59 3cfk s SER 25 Cb -0.10 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.48 3cfk s SER 25 CO 0.03 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.91 3cfk n GLY 26 N -0.26 0.75 3.55 7.32 0.00 -1.25 -1.49 105.19 113.80 3cfk n GLY 26 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.70 -0.23 -1.28 1.61 -0.71 -1.26 -4.47 117.98 108.94 3cfk s PHE 27 Ca 0.00 -0.10 -0.19 0.00 -1.04 0.00 0.00 56.93 55.60 3cfk s PHE 27 Cb 0.00 0.48 0.03 0.00 -1.21 0.00 0.00 43.02 42.32 3cfk s PHE 27 CO 0.00 -0.95 1.82 -3.47 -1.34 0.00 0.00 175.22 171.28 3cfk n ASP 28 N -0.37 4.47 -0.34 1.98 2.03 -1.26 -4.80 116.55 118.26 3cfk n ASP 28 Ca -0.11 -2.87 0.20 0.00 0.52 0.00 0.00 54.79 52.53 3cfk n ASP 28 Cb 0.63 -1.73 0.42 0.00 -0.72 0.00 0.00 41.12 39.71 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 7.84 0.93 -1.27 -0.67 3.57 -1.95 -0.40 116.94 124.98 3cfk h PHE 29 Ca 0.42 0.04 0.37 0.00 3.53 0.00 0.00 57.97 62.32 3cfk h PHE 29 Cb 0.86 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.30 3cfk h PHE 29 CO 1.39 -0.06 0.91 0.00 -2.23 0.00 0.00 178.31 178.32 3cfk h ARG 30 N 0.44 0.02 0.00 1.11 3.08 -1.87 -2.63 114.38 114.53 3cfk h ARG 30 Ca 0.68 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.72 3cfk h ARG 30 Cb 1.41 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.46 3cfk h ARG 30 CO -0.55 0.01 -0.99 0.54 -1.07 0.00 0.00 179.97 177.92 3cfk n ARG 31 N -4.18 0.16 -4.00 0.04 1.74 -0.16 -4.66 116.66 105.59 3cfk n ARG 31 Ca 0.28 -0.02 -0.32 0.00 -0.77 0.00 0.00 57.85 57.03 3cfk n ARG 31 Cb 1.32 -1.54 -0.06 0.00 -1.02 0.00 0.00 32.46 31.17 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 -3.11 3.37 0.43 -1.55 1.51 -0.99 -4.82 117.35 112.18 3cfk s TYR 32 Ca 0.06 0.21 -0.23 0.00 -1.01 0.00 0.00 57.07 56.10 3cfk s TYR 32 Cb 0.16 -1.73 -0.08 0.00 -0.11 0.00 0.00 41.96 40.19 3cfk s TYR 32 CO 0.81 0.57 1.07 -1.58 -1.11 0.00 0.00 175.55 175.32 3cfk s TRP 33 N -1.36 3.12 0.09 2.71 0.52 -1.25 -3.97 118.94 118.80 3cfk s TRP 33 Ca 0.29 1.61 0.07 0.00 0.02 0.00 0.00 56.10 58.09 3cfk s TRP 33 Cb -0.12 -3.17 -0.03 0.00 -1.15 0.00 0.00 33.47 28.99 3cfk s TRP 33 CO 0.21 -0.87 -0.19 -1.64 0.02 0.00 0.00 176.95 174.48 3cfk s MET 34 N -2.69 1.07 0.06 4.98 -1.94 -0.18 -2.01 119.30 118.59 3cfk s MET 34 Ca 0.61 -1.07 0.04 0.00 -1.71 0.00 0.00 55.69 53.55 3cfk s MET 34 Cb -0.22 -1.25 -0.03 0.00 2.01 0.00 0.00 34.83 35.34 3cfk s MET 34 CO 0.28 0.29 -0.11 0.99 -0.01 0.00 0.00 175.02 176.46 3cfk s THR 35 N -1.14 0.82 -0.07 2.05 2.01 0.52 -0.46 115.64 119.37 3cfk s THR 35 Ca 0.04 -1.24 0.02 0.00 0.31 0.00 0.00 61.69 60.82 3cfk s THR 35 Cb -0.10 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 3cfk s THR 35 CO 0.03 -0.34 -0.11 0.26 -0.69 0.00 0.00 174.62 173.77 3cfk s TRP 36 N -1.47 2.81 0.06 4.92 0.52 -0.44 -1.01 118.94 124.32 3cfk s TRP 36 Ca -0.05 -0.20 0.04 0.00 0.02 0.00 0.00 56.10 55.91 3cfk s TRP 36 Cb -0.09 -1.71 -0.03 0.00 -1.15 0.00 0.00 33.47 30.49 3cfk s TRP 36 CO 0.01 0.15 -0.11 0.08 0.02 0.00 0.00 176.95 177.10 3cfk s VAL 37 N -0.50 0.84 0.09 4.03 1.01 -0.30 -1.78 120.40 123.79 3cfk s VAL 37 Ca 0.07 -1.27 0.02 0.00 0.00 0.00 0.00 61.98 60.80 3cfk s VAL 37 Cb -0.12 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 3cfk s VAL 37 CO 0.02 -0.35 -0.07 0.00 0.00 0.00 0.00 175.10 174.69 3cfk s ARG 38 N -1.87 0.80 -0.22 2.72 1.70 -0.50 0.12 118.95 121.70 3cfk s ARG 38 Ca -0.04 -1.24 -0.04 0.00 -0.47 0.00 0.00 55.73 53.94 3cfk s ARG 38 Cb -0.09 -0.27 0.08 0.00 -0.57 0.00 0.00 34.95 34.11 3cfk s ARG 38 CO 0.01 0.01 0.12 -1.14 -1.08 0.00 0.00 175.30 173.22 3cfk s GLN 39 N -3.40 0.13 0.81 3.89 0.74 -0.05 -0.58 119.66 121.20 3cfk s GLN 39 Ca 0.08 -0.21 -0.12 0.00 0.05 0.00 0.00 55.36 55.17 3cfk s GLN 39 Cb 0.02 -1.50 0.08 0.00 1.10 0.00 0.00 33.01 32.72 3cfk s GLN 39 CO -0.03 -0.80 1.14 0.00 -0.55 0.00 0.00 175.29 175.05 3cfk s ALA 40 N 2.15 1.93 0.13 1.58 0.00 -1.26 -1.63 121.76 124.66 3cfk s ALA 40 Ca 0.05 0.57 -0.32 0.00 0.00 0.00 0.00 51.96 52.25 3cfk s ALA 40 Cb -0.16 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 19.45 3cfk s ALA 40 CO -0.20 -2.15 1.76 -2.30 0.00 0.00 0.00 175.76 172.86 3cfk n PRO 41 N -3.53 2.56 -1.26 0.00 -0.02 -1.26 -2.00 135.00 129.49 3cfk n PRO 41 Ca 0.11 0.93 -0.09 0.00 -2.02 0.00 0.00 63.50 62.43 3cfk n PRO 41 Cb 0.52 -2.78 -0.04 0.00 -0.02 0.00 0.00 33.50 31.18 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 3.99 1.00 3.02 -1.23 0.00 -1.26 -4.98 105.19 105.72 3cfk n GLY 42 Ca 0.18 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 3cfk n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cfk n LYS 43 N -1.75 0.81 -1.54 1.61 5.02 -0.84 -5.16 118.16 116.31 3cfk n LYS 43 Ca -0.09 -3.09 -0.18 0.00 -2.02 0.00 0.00 58.31 52.93 3cfk n LYS 43 Cb 0.42 1.19 0.12 0.00 -0.02 0.00 0.00 35.03 36.74 3cfk n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cfk n GLY 44 N -0.27 -0.59 3.83 0.72 0.00 -1.26 -4.71 105.19 102.90 3cfk n GLY 44 Ca -0.12 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 43.74 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 4.12 -0.14 0.99 1.43 -1.26 -4.22 118.68 119.60 3cfk s LEU 45 Ca 0.49 1.48 -0.03 0.00 -1.03 0.00 0.00 54.13 55.04 3cfk s LEU 45 Cb -0.02 -4.09 0.05 0.00 0.03 0.00 0.00 46.19 42.16 3cfk s LEU 45 CO 0.34 -0.18 0.04 -0.70 0.23 0.00 0.00 176.35 176.08 3cfk s GLU 46 N -2.72 0.42 0.15 1.70 2.12 0.26 -4.99 118.70 115.65 3cfk s GLU 46 Ca 0.53 -0.11 -0.31 0.00 0.36 0.00 0.00 54.97 55.44 3cfk s GLU 46 Cb -0.12 -1.57 -0.09 0.00 0.26 0.00 0.00 34.13 32.61 3cfk s GLU 46 CO 0.18 -0.52 1.52 -0.46 -0.54 0.00 0.00 175.26 175.43 3cfk s TRP 47 N 1.99 3.12 -0.23 5.30 -0.00 -1.26 -1.40 118.94 126.45 3cfk s TRP 47 Ca 0.02 0.72 -0.16 0.00 -0.00 0.00 0.00 56.10 56.69 3cfk s TRP 47 Cb -0.15 -3.86 -0.11 0.00 -0.00 0.00 0.00 33.47 29.36 3cfk s TRP 47 CO -0.07 -3.12 -0.26 -0.89 -0.00 0.00 0.00 176.95 172.62 3cfk n ILE 48 N 3.95 1.51 -0.73 5.86 5.41 -0.73 -4.58 119.36 130.05 3cfk n ILE 48 Ca 0.13 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3cfk n ILE 48 Cb 0.40 -2.08 0.00 0.00 -0.71 0.00 0.00 39.64 37.25 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 1.37 -1.33 3.17 7.39 0.00 -1.18 -0.59 105.19 114.02 3cfk n GLY 49 Ca -0.36 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.60 0.60 -0.01 1.61 -1.05 -0.42 -1.33 118.70 116.49 3cfk s GLU 50 Ca 0.00 -0.35 0.03 0.00 -0.15 0.00 0.00 54.97 54.50 3cfk s GLU 50 Cb 0.00 0.26 -0.01 0.00 -0.44 0.00 0.00 34.13 33.94 3cfk s GLU 50 CO 0.00 -0.16 -0.10 -1.50 0.95 0.00 0.00 175.26 174.45 3cfk s ILE 51 N -1.56 0.80 0.74 1.83 2.07 0.39 -1.92 121.20 123.54 3cfk s ILE 51 Ca -0.13 -0.42 -0.09 0.00 -1.41 0.00 0.00 60.65 58.60 3cfk s ILE 51 Cb -0.06 -0.68 0.06 0.00 0.13 0.00 0.00 42.46 41.92 3cfk s ILE 51 CO 0.02 0.23 1.07 0.54 -1.91 0.00 0.00 174.94 174.89 3cfk s ASN 52 N -0.17 4.75 0.24 4.50 4.22 -0.86 -1.02 114.94 126.60 3cfk s ASN 52 Ca 0.03 0.60 -0.06 0.00 -2.14 0.00 0.00 52.86 51.28 3cfk s ASN 52 Cb -0.05 -1.21 0.43 0.00 1.28 0.00 0.00 41.25 41.71 3cfk s ASN 52 CO -0.00 -1.68 1.67 -0.65 -2.04 0.00 0.00 177.10 174.39 3cfk h PRO 52 N -0.75 0.18 -0.63 3.55 0.11 -1.83 -2.61 132.00 130.02 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 1.32 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3cfk h PRO 52 CO 0.62 0.12 0.00 -0.40 -0.21 0.00 0.00 178.00 178.14 3cfk n ASP 53 N -5.23 4.00 -2.76 -2.05 5.68 -1.26 -4.93 116.55 109.98 3cfk n ASP 53 Ca 0.13 -2.35 -0.21 0.00 -0.50 0.00 0.00 54.79 51.86 3cfk n ASP 53 Cb 0.45 -0.52 0.02 0.00 -1.14 0.00 0.00 41.12 39.94 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 0.92 -5.94 -0.03 -1.12 7.64 -0.99 -4.87 113.62 109.24 3cfk n SER 54 Ca 0.21 -0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3cfk n SER 54 Cb 0.75 -4.80 -0.08 0.00 -1.01 0.00 0.00 64.21 59.07 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 -3.69 1.33 -3.82 1.43 1.74 -1.26 -4.83 116.66 107.57 3cfk n ARG 55 Ca -0.14 -0.05 -0.36 0.00 -0.77 0.00 0.00 57.85 56.52 3cfk n ARG 55 Cb 0.63 -1.24 -0.13 0.00 -1.02 0.00 0.00 32.46 30.70 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 -2.48 3.52 -0.29 0.55 2.01 -1.26 -5.06 115.64 112.63 3cfk s THR 56 Ca -0.04 -1.04 0.01 0.00 0.31 0.00 0.00 61.69 60.93 3cfk s THR 56 Cb 0.05 -2.91 0.09 0.00 0.01 0.00 0.00 72.50 69.73 3cfk s THR 56 CO 0.41 -0.03 0.04 -0.63 -0.69 0.00 0.00 174.62 173.72 3cfk s ILE 57 N 1.39 1.46 -0.05 1.82 1.01 -1.26 -2.04 121.20 123.53 3cfk s ILE 57 Ca -0.01 -1.58 -0.06 0.00 0.00 0.00 0.00 60.65 59.00 3cfk s ILE 57 Cb -0.18 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 3cfk s ILE 57 CO 0.01 -0.46 0.20 0.20 0.00 0.00 0.00 174.94 174.88 3cfk s ASN 58 N 1.35 6.43 0.17 3.58 0.01 -0.81 -4.96 114.94 120.72 3cfk s ASN 58 Ca 0.05 0.48 0.08 0.00 -0.71 0.00 0.00 52.86 52.76 3cfk s ASN 58 Cb -0.18 -2.07 -0.04 0.00 0.41 0.00 0.00 41.25 39.37 3cfk s ASN 58 CO -0.14 0.33 -0.16 -0.31 -1.51 0.00 0.00 177.10 175.31 3cfk s TYR 59 N -1.18 1.71 0.33 2.20 2.02 -1.26 -1.30 117.35 119.87 3cfk s TYR 59 Ca 0.22 -0.52 -0.29 0.00 -0.37 0.00 0.00 57.07 56.11 3cfk s TYR 59 Cb -0.13 -0.84 -0.10 0.00 -0.40 0.00 0.00 41.96 40.50 3cfk s TYR 59 CO 0.11 0.31 1.28 1.41 -1.57 0.00 0.00 175.55 177.10 3cfk s MET 60 N -3.11 4.39 -0.20 -0.62 -2.45 0.24 -4.92 119.30 112.63 3cfk s MET 60 Ca 0.17 2.16 -0.41 0.00 -1.25 0.00 0.00 55.69 56.37 3cfk s MET 60 Cb -0.04 -3.08 -0.17 0.00 1.25 0.00 0.00 34.83 32.79 3cfk s MET 60 CO 0.06 -0.14 1.55 -2.30 1.05 0.00 0.00 175.02 175.24 3cfk n PRO 61 N 0.84 0.82 -2.77 4.11 -0.02 -1.26 -4.86 135.00 131.86 3cfk n PRO 61 Ca -0.00 0.30 -0.01 0.00 -2.02 0.00 0.00 63.50 61.77 3cfk n PRO 61 Cb 0.42 -1.92 0.01 0.00 -0.02 0.00 0.00 33.50 31.99 3cfk n PRO 61 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3cfk n SER 62 N 4.02 -0.85 -4.91 2.55 3.41 -1.26 -5.18 113.62 111.40 3cfk n SER 62 Ca 0.25 -1.41 -0.27 0.00 -0.26 0.00 0.00 58.87 57.18 3cfk n SER 62 Cb 0.10 1.38 -0.02 0.00 -0.26 0.00 0.00 64.21 65.41 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 4.03 0.28 1.04 1.43 -1.26 -5.01 118.68 119.18 3cfk s LEU 63 Ca 0.13 0.65 -0.30 0.00 -1.03 0.00 0.00 54.13 53.58 3cfk s LEU 63 Cb -0.01 -3.49 -0.13 0.00 0.03 0.00 0.00 46.19 42.59 3cfk s LEU 63 CO 0.02 -0.24 1.31 0.29 0.23 0.00 0.00 176.35 177.97 3cfk n LYS 64 N -1.21 1.96 -0.66 1.70 5.02 -1.26 -2.64 118.16 121.07 3cfk n LYS 64 Ca -0.02 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 3cfk n LYS 64 Cb 0.54 -2.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.27 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 1.55 -1.88 0.06 4.39 8.00 -1.26 -4.85 116.55 122.57 3cfk n ASP 65 Ca 0.09 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.57 3cfk n ASP 65 Cb 0.33 -2.79 -0.01 0.00 -0.02 0.00 0.00 41.12 38.63 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 0.02 -0.14 -6.13 -1.24 3.64 -1.85 -3.40 116.57 107.46 3cfk h LYS 66 Ca 0.00 0.01 -0.56 0.00 -1.27 0.00 0.00 60.65 58.83 3cfk h LYS 66 Cb 0.31 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 3cfk h LYS 66 CO 0.00 -0.10 0.11 -0.06 -2.27 0.00 0.00 179.45 177.14 3cfk s PHE 67 N -3.30 3.64 -0.14 1.91 0.08 -1.26 -2.46 117.98 116.45 3cfk s PHE 67 Ca -0.02 1.33 -0.00 0.00 0.12 0.00 0.00 56.93 58.36 3cfk s PHE 67 Cb 0.00 -2.81 0.03 0.00 -0.57 0.00 0.00 43.02 39.67 3cfk s PHE 67 CO 0.07 0.16 -0.11 0.42 -0.10 0.00 0.00 175.22 175.66 3cfk s ILE 68 N 0.49 1.32 -0.13 0.64 1.01 -0.48 -4.96 121.20 119.08 3cfk s ILE 68 Ca 0.38 -0.52 -0.10 0.00 0.00 0.00 0.00 60.65 60.41 3cfk s ILE 68 Cb -0.19 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 3cfk s ILE 68 CO 0.20 0.38 0.20 -0.63 0.00 0.00 0.00 174.94 175.09 3cfk s ILE 69 N 1.58 5.38 0.26 2.92 1.01 -1.26 -0.38 121.20 130.71 3cfk s ILE 69 Ca 0.04 0.35 -0.03 0.00 0.00 0.00 0.00 60.65 61.01 3cfk s ILE 69 Cb -0.13 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 3cfk s ILE 69 CO -0.09 0.53 0.30 -0.94 0.00 0.00 0.00 174.94 174.73 3cfk s SER 70 N -0.40 0.48 0.05 3.58 1.04 -0.84 -5.02 113.70 112.59 3cfk s SER 70 Ca 0.15 -1.36 -0.11 0.00 0.48 0.00 0.00 55.95 55.11 3cfk s SER 70 Cb -0.13 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.51 3cfk s SER 70 CO 0.04 -1.03 0.23 0.00 0.98 0.00 0.00 173.24 173.45 3cfk s ARG 71 N -3.80 0.76 -0.34 4.02 1.70 -1.26 -0.11 118.95 119.92 3cfk s ARG 71 Ca 0.34 -0.65 0.01 0.00 -0.47 0.00 0.00 55.73 54.95 3cfk s ARG 71 Cb 0.03 0.32 0.11 0.00 -0.57 0.00 0.00 34.95 34.84 3cfk s ARG 71 CO 0.15 -0.23 0.12 0.34 -1.08 0.00 0.00 175.30 174.60 3cfk s ASP 72 N -2.23 4.05 0.51 -2.89 -1.08 0.36 -4.99 116.67 110.41 3cfk s ASP 72 Ca -0.03 -1.94 0.23 0.00 -0.52 0.00 0.00 52.55 50.28 3cfk s ASP 72 Cb 0.00 -1.02 1.35 0.00 -1.46 0.00 0.00 42.92 41.80 3cfk s ASP 72 CO -0.05 -0.38 2.08 0.78 0.52 0.00 0.00 175.17 178.12 3cfk h ASN 73 N 7.71 0.00 0.63 -0.34 2.35 -1.92 -1.57 115.58 122.43 3cfk h ASN 73 Ca -0.09 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.59 3cfk h ASN 73 Cb 1.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.36 3cfk h ASN 73 CO 0.48 0.12 -0.31 0.00 -1.65 0.00 0.00 177.43 176.07 3cfk h ALA 74 N 1.88 1.15 -0.59 -0.83 0.00 -1.95 -2.85 119.26 116.08 3cfk h ALA 74 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3cfk h ALA 74 Cb 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3cfk h ALA 74 CO 0.01 0.39 0.00 1.63 0.00 0.00 0.00 179.25 181.28 3cfk n LYS 75 N -3.68 2.76 -4.22 0.00 5.02 -0.65 -4.97 118.16 112.42 3cfk n LYS 75 Ca -0.01 -2.44 -0.30 0.00 -2.02 0.00 0.00 58.31 53.54 3cfk n LYS 75 Cb 0.42 -1.46 -0.07 0.00 -0.02 0.00 0.00 35.03 33.89 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 1.26 0.11 -4.09 4.39 3.02 -0.90 -4.74 115.26 114.31 3cfk n ASN 76 Ca 0.20 -1.18 -0.18 0.00 -0.03 0.00 0.00 54.58 53.39 3cfk n ASN 76 Cb 0.55 -2.11 -0.14 0.00 -0.61 0.00 0.00 39.78 37.48 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 -4.23 1.32 0.05 6.41 0.01 -0.86 -1.12 113.70 115.28 3cfk s SER 77 Ca 0.11 -0.36 0.08 0.00 1.31 0.00 0.00 55.95 57.08 3cfk s SER 77 Cb -0.06 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.05 3cfk s SER 77 CO 0.96 0.03 -0.19 -0.22 0.41 0.00 0.00 173.24 174.23 3cfk s LEU 78 N -0.86 2.55 0.05 2.44 2.96 -0.07 -0.49 118.68 125.26 3cfk s LEU 78 Ca 0.01 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.50 3cfk s LEU 78 Cb -0.07 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.12 3cfk s LEU 78 CO 0.01 0.25 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.85 3cfk s TYR 79 N -0.92 1.11 -0.12 5.38 2.02 0.85 -1.02 117.35 124.64 3cfk s TYR 79 Ca 0.14 -0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.43 3cfk s TYR 79 Cb -0.10 -0.65 0.04 0.00 -0.40 0.00 0.00 41.96 40.85 3cfk s TYR 79 CO 0.05 0.02 0.01 -1.17 -1.57 0.00 0.00 175.55 172.90 3cfk s LEU 80 N -1.32 0.84 -0.25 -1.29 2.96 -0.51 -1.99 118.68 117.12 3cfk s LEU 80 Ca -0.01 -0.40 -0.11 0.00 -0.22 0.00 0.00 54.13 53.39 3cfk s LEU 80 Cb -0.08 -0.51 -0.05 0.00 0.50 0.00 0.00 46.19 46.04 3cfk s LEU 80 CO 0.01 -0.24 0.20 -1.58 -1.32 0.00 0.00 176.35 173.42 3cfk s GLN 81 N 1.92 4.03 -0.12 1.98 0.74 0.49 -0.77 119.66 127.94 3cfk s GLN 81 Ca 0.03 -0.24 -0.04 0.00 0.05 0.00 0.00 55.36 55.16 3cfk s GLN 81 Cb -0.14 -3.59 -0.03 0.00 1.10 0.00 0.00 33.01 30.35 3cfk s GLN 81 CO -0.07 -0.05 0.02 -0.51 -0.55 0.00 0.00 175.29 174.14 3cfk s LEU 82 N 1.38 3.65 0.29 3.68 1.43 0.60 -1.38 118.68 128.33 3cfk s LEU 82 Ca 0.09 0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 3cfk s LEU 82 Cb -0.15 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 3cfk s LEU 82 CO 0.07 0.31 0.17 -0.94 0.23 0.00 0.00 176.35 176.19 3cfk s SER 82 N -0.46 1.32 -1.36 2.29 1.04 -1.03 -1.17 113.70 114.32 3cfk s SER 82 Ca 0.09 -1.55 -0.07 0.00 0.48 0.00 0.00 55.95 54.89 3cfk s SER 82 Cb -0.12 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.40 3cfk s SER 82 CO 0.02 -0.90 0.45 0.54 0.98 0.00 0.00 173.24 174.33 3cfk n ARG 82 N -0.53 -2.28 -2.29 4.02 1.74 -1.23 -4.84 116.66 111.25 3cfk n ARG 82 Ca 0.02 0.34 -0.42 0.00 -0.77 0.00 0.00 57.85 57.02 3cfk n ARG 82 Cb 0.65 -4.12 -0.03 0.00 -1.02 0.00 0.00 32.46 27.94 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 -6.99 4.41 0.32 0.55 1.43 -1.04 -4.71 118.68 112.65 3cfk s LEU 82 Ca 0.14 2.27 0.06 0.00 -1.03 0.00 0.00 54.13 55.57 3cfk s LEU 82 Cb -0.06 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.50 3cfk s LEU 82 CO 0.91 -0.49 0.00 -0.13 0.23 0.00 0.00 176.35 176.87 3cfk s ARG 83 N 0.25 1.66 0.52 1.70 0.52 -1.26 -0.08 118.95 122.26 3cfk s ARG 83 Ca 0.57 -1.89 0.16 0.00 -0.52 0.00 0.00 55.73 54.05 3cfk s ARG 83 Cb -0.34 -1.12 1.26 0.00 0.52 0.00 0.00 34.95 35.27 3cfk s ARG 83 CO 0.35 -0.07 2.14 0.66 0.02 0.00 0.00 175.30 178.40 3cfk h SER 84 N 2.12 0.00 0.09 0.23 4.64 -1.97 0.18 113.55 118.85 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 0.01 -0.01 -0.33 -0.87 0.00 0.00 176.83 176.34 3cfk h GLU 85 N 0.00 0.00 -0.00 4.77 5.08 -1.96 -1.29 114.58 121.18 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 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3cfk h GLU 85 CO 0.00 0.01 -0.08 -0.25 -1.00 0.00 0.00 179.01 177.69 3cfk n ASP 86 N -3.29 0.22 -4.66 1.42 8.00 0.05 -4.82 116.55 113.46 3cfk n ASP 86 Ca -0.03 -0.22 -0.42 0.00 0.71 0.00 0.00 54.79 54.83 3cfk n ASP 86 Cb 0.10 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 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 -2.63 6.63 0.01 -2.24 0.01 -0.49 -4.90 113.70 110.10 3cfk s SER 87 Ca 0.25 2.32 -0.29 0.00 1.31 0.00 0.00 55.95 59.54 3cfk s SER 87 Cb 0.20 -2.53 0.11 0.00 0.21 0.00 0.00 66.02 64.00 3cfk s SER 87 CO 0.49 -0.94 1.23 0.00 0.41 0.00 0.00 173.24 174.43 3cfk s ALA 88 N 4.02 -2.14 -0.05 1.44 0.00 -0.46 -4.45 121.76 120.12 3cfk s ALA 88 Ca 0.76 0.61 -0.24 0.00 0.00 0.00 0.00 51.96 53.08 3cfk s ALA 88 Cb -0.35 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 3cfk s ALA 88 CO 0.32 -1.05 0.72 -0.51 0.00 0.00 0.00 175.76 175.24 3cfk s LEU 89 N -2.97 4.33 -0.23 0.00 1.43 -0.65 -1.32 118.68 119.28 3cfk s LEU 89 Ca 0.14 1.24 -0.05 0.00 -1.03 0.00 0.00 54.13 54.42 3cfk s LEU 89 Cb 0.04 -3.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.12 3cfk s LEU 89 CO -0.03 -0.11 0.01 -0.31 0.23 0.00 0.00 176.35 176.14 3cfk s TYR 90 N 0.71 3.02 -0.15 0.29 1.51 -0.78 -0.87 117.35 121.08 3cfk s TYR 90 Ca 0.38 -0.66 -0.04 0.00 -1.01 0.00 0.00 57.07 55.74 3cfk s TYR 90 Cb -0.18 -2.15 -0.03 0.00 -0.11 0.00 0.00 41.96 39.49 3cfk s TYR 90 CO 0.19 -0.42 -0.00 0.71 -1.11 0.00 0.00 175.55 174.92 3cfk s TYR 91 N 1.44 3.11 -0.14 2.71 2.02 0.31 -2.34 117.35 124.47 3cfk s TYR 91 Ca 0.05 -0.10 -0.29 0.00 -0.37 0.00 0.00 57.07 56.35 3cfk s TYR 91 Cb -0.15 -1.96 -0.01 0.00 -0.40 0.00 0.00 41.96 39.45 3cfk s TYR 91 CO 0.00 0.11 1.09 0.00 -1.57 0.00 0.00 175.55 175.18 3cfk s VAL 93 N 2.59 0.45 0.05 0.00 1.01 -0.18 -0.48 120.40 123.83 3cfk s VAL 93 Ca 0.49 -0.09 -0.25 0.00 0.00 0.00 0.00 61.98 62.13 3cfk s VAL 93 Cb -0.19 -0.49 -0.05 0.00 0.00 0.00 0.00 36.38 35.65 3cfk s VAL 93 CO 0.15 0.20 0.78 -0.60 0.00 0.00 0.00 175.10 175.63 3cfk s ARG 94 N 0.84 4.51 -0.28 2.72 3.52 0.02 -0.35 118.95 129.93 3cfk s ARG 94 Ca -0.11 1.09 -0.08 0.00 -0.13 0.00 0.00 55.73 56.51 3cfk s ARG 94 Cb -0.13 -3.36 -0.01 0.00 -1.56 0.00 0.00 34.95 29.88 3cfk s ARG 94 CO -0.00 0.28 0.10 -1.17 -0.81 0.00 0.00 175.30 173.70 3cfk s LEU 95 N -0.06 3.78 -0.30 -0.88 2.96 -0.85 -1.81 118.68 121.52 3cfk s LEU 95 Ca 0.39 -0.47 -0.23 0.00 -0.22 0.00 0.00 54.13 53.60 3cfk s LEU 95 Cb -0.21 -1.93 -0.00 0.00 0.50 0.00 0.00 46.19 44.55 3cfk s LEU 95 CO 0.23 -0.14 0.75 -0.62 -1.32 0.00 0.00 176.35 175.26 3cfk s ASP 96 N 1.58 6.63 0.32 3.68 2.15 0.39 -3.83 116.67 127.59 3cfk s ASP 96 Ca 0.05 0.63 0.04 0.00 0.43 0.00 0.00 52.55 53.69 3cfk s ASP 96 Cb -0.16 -2.39 -0.02 0.00 -0.30 0.00 0.00 42.92 40.05 3cfk s ASP 96 CO 0.04 -0.58 0.48 0.12 -0.17 0.00 0.00 175.17 175.06 3cfk s PHE 97 N 2.87 3.30 -0.31 -5.34 5.36 -1.26 -1.82 117.98 120.78 3cfk s PHE 97 Ca 0.31 0.01 -0.11 0.00 -0.96 0.00 0.00 56.93 56.17 3cfk s PHE 97 Cb -0.14 -1.89 0.20 0.00 -0.34 0.00 0.00 43.02 40.85 3cfk s PHE 97 CO 0.12 0.10 1.15 0.34 -1.46 0.00 0.00 175.22 175.47 3cfk s ASP 98 N -4.09 -0.08 0.36 6.13 -1.08 -1.26 -4.93 116.67 111.72 3cfk s ASP 98 Ca 0.41 -0.06 0.06 0.00 -0.52 0.00 0.00 52.55 52.44 3cfk s ASP 98 Cb -0.09 0.10 0.68 0.00 -1.46 0.00 0.00 42.92 42.15 3cfk s ASP 98 CO 0.32 -0.01 1.92 0.58 0.52 0.00 0.00 175.17 178.50 3cfk h VAL 99 N 2.71 1.17 -0.16 1.11 2.07 -1.98 -1.78 116.25 119.40 3cfk h VAL 99 Ca -0.04 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 3cfk h VAL 99 Cb 1.22 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3cfk h VAL 99 CO -0.12 0.23 0.02 1.88 0.02 0.00 0.00 177.57 179.60 3cfk h TYR 100 N 0.47 0.28 0.00 1.57 0.05 -2.06 -3.07 116.97 114.21 3cfk h TYR 100 Ca 0.11 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.85 3cfk h TYR 100 Cb 0.26 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.92 3cfk h TYR 100 CO 0.01 0.44 0.00 0.09 -1.05 0.00 0.00 178.16 177.65 3cfk n ASN 100 N -4.78 0.60 -2.44 3.88 3.02 -1.08 -5.25 115.26 109.20 3cfk n ASN 100 Ca -0.05 0.59 -0.03 0.00 -0.03 0.00 0.00 54.58 55.05 3cfk n ASN 100 Cb 0.19 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 38.62 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 -2.10 -2.72 0.00 3.10 8.25 -0.69 -5.11 115.22 115.96 3cfk n HIS 100 Ca 0.05 1.14 0.00 0.00 -0.26 0.00 0.00 57.72 58.65 3cfk n HIS 100 Cb 0.34 -3.38 0.00 0.00 1.12 0.00 0.00 29.99 28.07 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 0.01 0.00 -4.98 4.41 4.02 -1.26 -5.05 117.16 114.31 3cfk n TYR 100 Ca 0.05 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.67 3cfk n TYR 100 Cb 0.19 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 1.66 -0.88 -0.72 1.01 -0.76 -4.97 120.40 115.74 3cfk s VAL 100 Ca 0.00 -0.94 -0.21 0.00 0.00 0.00 0.00 61.98 60.84 3cfk s VAL 100 Cb 0.00 -1.38 0.10 0.00 0.00 0.00 0.00 36.38 35.09 3cfk s VAL 100 CO 0.00 0.43 1.16 -0.76 0.00 0.00 0.00 175.10 175.93 3cfk s LEU 100 N -0.59 4.53 -0.20 3.92 1.43 -1.26 -0.46 118.68 126.05 3cfk s LEU 100 Ca 0.08 -1.63 -0.12 0.00 -1.03 0.00 0.00 54.13 51.43 3cfk s LEU 100 Cb -0.08 -2.44 -0.20 0.00 0.03 0.00 0.00 46.19 43.50 3cfk s LEU 100 CO -0.00 -1.26 0.09 -0.90 0.23 0.00 0.00 176.35 174.50 3cfk n ASP 101 N 7.37 1.98 -4.41 2.29 5.75 -0.75 -4.89 116.55 123.89 3cfk n ASP 101 Ca 0.19 0.26 -0.33 0.00 -0.01 0.00 0.00 54.79 54.90 3cfk n ASP 101 Cb 0.49 -0.83 -0.14 0.00 -1.03 0.00 0.00 41.12 39.61 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 -2.47 2.81 -0.03 2.11 2.02 -1.25 -5.00 117.35 115.54 3cfk s TYR 102 Ca -0.30 -0.49 0.07 0.00 -0.37 0.00 0.00 57.07 55.98 3cfk s TYR 102 Cb 0.08 -1.80 -0.02 0.00 -0.40 0.00 0.00 41.96 39.82 3cfk s TYR 102 CO 0.63 -0.10 -0.24 -1.58 -1.57 0.00 0.00 175.55 172.69 3cfk s TRP 103 N 0.09 2.20 1.02 2.71 0.52 -1.26 -0.80 118.94 123.41 3cfk s TRP 103 Ca -0.05 -0.48 -0.15 0.00 0.02 0.00 0.00 56.10 55.45 3cfk s TRP 103 Cb -0.15 -1.43 0.20 0.00 -1.15 0.00 0.00 33.47 30.95 3cfk s TRP 103 CO 0.04 -0.08 1.14 0.20 0.02 0.00 0.00 176.95 178.28 3cfk s GLY 104 N -0.46 1.60 0.35 0.98 0.00 0.36 -4.86 107.32 105.29 3cfk s GLY 104 Ca 0.06 -0.68 0.19 0.00 0.00 0.00 0.00 44.72 44.28 3cfk s GLY 104 CO 0.00 -0.00 1.60 1.46 0.00 0.00 0.00 173.10 176.16 3cfk h GLN 105 N -1.90 0.00 0.00 2.90 4.20 -1.90 -3.44 115.11 114.97 3cfk h GLN 105 Ca -0.49 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.22 3cfk h GLN 105 Cb 1.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.09 3cfk h GLN 105 CO 0.51 0.37 0.00 0.41 -0.67 0.00 0.00 178.83 179.45 3cfk n GLY 106 N 0.79 2.21 3.21 3.46 0.00 -1.26 -4.98 105.19 108.62 3cfk n GLY 106 Ca 0.01 -1.80 -0.29 0.00 0.00 0.00 0.00 46.02 43.95 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 -2.37 1.77 0.05 2.61 -1.32 -0.99 -4.87 115.64 110.52 3cfk s THR 107 Ca 0.00 -0.92 -0.27 0.00 -1.21 0.00 0.00 61.69 59.30 3cfk s THR 107 Cb 0.00 -1.50 -0.05 0.00 -1.51 0.00 0.00 72.50 69.44 3cfk s THR 107 CO 0.00 0.50 0.84 -0.55 -2.21 0.00 0.00 174.62 173.20 3cfk s SER 108 N -0.16 7.29 -0.13 8.08 0.15 -1.26 -1.87 113.70 125.81 3cfk s SER 108 Ca -0.01 1.55 0.02 0.00 0.70 0.00 0.00 55.95 58.21 3cfk s SER 108 Cb -0.12 -2.51 0.01 0.00 -1.71 0.00 0.00 66.02 61.70 3cfk s SER 108 CO 0.02 -0.04 -0.18 -0.69 1.20 0.00 0.00 173.24 173.55 3cfk s VAL 109 N 0.11 1.74 -0.12 4.45 1.01 -0.44 -0.19 120.40 126.96 3cfk s VAL 109 Ca 0.42 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.64 3cfk s VAL 109 Cb -0.21 -1.57 -0.00 0.00 0.00 0.00 0.00 36.38 34.59 3cfk s VAL 109 CO 0.25 0.49 -0.20 -0.89 0.00 0.00 0.00 175.10 174.75 3cfk s THR 110 N 0.95 2.38 -0.35 3.92 2.01 -0.55 -1.35 115.64 122.65 3cfk s THR 110 Ca -0.06 -0.90 -0.11 0.00 0.31 0.00 0.00 61.69 60.93 3cfk s THR 110 Cb -0.15 -1.95 0.01 0.00 0.01 0.00 0.00 72.50 70.42 3cfk s THR 110 CO -0.02 0.55 0.21 -0.69 -0.69 0.00 0.00 174.62 173.97 3cfk s VAL 111 N 0.41 4.79 -0.18 3.82 1.01 -1.26 -1.00 120.40 127.99 3cfk s VAL 111 Ca -0.15 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 60.97 3cfk s VAL 111 Cb -0.17 -3.56 0.11 0.00 0.00 0.00 0.00 36.38 32.76 3cfk s VAL 111 CO 0.07 -0.10 0.94 -0.55 0.00 0.00 0.00 175.10 175.45 3cfk s SER 112 N 1.62 -0.46 0.00 3.32 0.15 -0.63 -4.55 113.70 113.15 3cfk s SER 112 Ca 0.04 0.63 0.23 0.00 0.70 0.00 0.00 55.95 57.55 3cfk s SER 112 Cb -0.18 0.55 0.18 0.00 -1.71 0.00 0.00 66.02 64.87 3cfk s SER 112 CO 0.08 -0.33 1.19 -1.54 1.20 0.00 0.00 173.24 173.84 3cfk n SER 113 N 1.25 0.85 -4.60 5.45 3.41 -1.26 -4.27 113.62 114.44 3cfk n SER 113 Ca -0.12 -0.69 -0.38 0.00 -0.26 0.00 0.00 58.87 57.41 3cfk n SER 113 Cb 0.57 0.57 0.04 0.00 -0.26 0.00 0.00 64.21 65.13 3cfk n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cfk n ALA 114 N -1.34 0.09 -2.49 7.33 0.00 -1.26 -5.00 120.51 117.84 3cfk n ALA 114 Ca 0.06 0.04 -0.25 0.00 0.00 0.00 0.00 53.44 53.29 3cfk n ALA 114 Cb 0.34 -2.08 -0.01 0.00 0.00 0.00 0.00 19.45 17.70 3cfk n ALA 114 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3cfk s SER 115 N -1.14 6.23 0.47 0.00 1.04 -1.26 -5.06 113.70 113.98 3cfk s SER 115 Ca 0.73 0.60 -0.24 0.00 0.48 0.00 0.00 55.95 57.52 3cfk s SER 115 Cb -0.44 -2.05 -0.07 0.00 0.10 0.00 0.00 66.02 63.56 3cfk s SER 115 CO 0.50 -0.44 1.26 -0.89 0.98 0.00 0.00 173.24 174.65 3cfk s THR 116 N -2.49 2.66 -0.05 2.02 2.01 -1.26 -4.83 115.64 113.69 3cfk s THR 116 Ca 0.43 0.52 -0.02 0.00 0.31 0.00 0.00 61.69 62.94 3cfk s THR 116 Cb -0.10 -3.28 0.04 0.00 0.01 0.00 0.00 72.50 69.17 3cfk s THR 116 CO 0.39 0.02 0.10 -0.75 -0.69 0.00 0.00 174.62 173.69 3cfk s LYS 117 N -2.61 0.00 0.53 4.92 2.20 0.56 -4.94 119.74 120.40 3cfk s LYS 117 Ca 0.64 0.38 -0.18 0.00 -0.36 0.00 0.00 55.97 56.44 3cfk s LYS 117 Cb -0.35 -0.30 -0.07 0.00 -1.51 0.00 0.00 37.83 35.60 3cfk s LYS 117 CO 0.43 -0.24 1.05 0.20 -0.36 0.00 0.00 175.35 176.43 3cfk s GLY 118 N 1.68 2.37 0.47 5.54 0.00 -1.26 -1.14 107.32 114.98 3cfk s GLY 118 Ca -0.02 0.54 -0.17 0.00 0.00 0.00 0.00 44.72 45.07 3cfk s GLY 118 CO -0.04 0.86 0.94 2.56 0.00 0.00 0.00 173.10 177.41 3cfk s PRO 119 N -3.55 4.00 0.07 2.90 0.04 -1.26 -4.55 135.00 132.64 3cfk s PRO 119 Ca 0.66 0.92 -0.17 0.00 0.04 0.00 0.00 61.00 62.45 3cfk s PRO 119 Cb -0.17 -2.19 -0.06 0.00 0.04 0.00 0.00 34.50 32.12 3cfk s PRO 119 CO 0.27 -0.16 0.52 -1.12 0.04 0.00 0.00 177.00 176.55 3cfk s SER 120 N -2.83 6.95 -0.19 6.66 0.01 -0.20 -4.91 113.70 119.18 3cfk s SER 120 Ca 0.58 1.15 -0.01 0.00 1.31 0.00 0.00 55.95 58.98 3cfk s SER 120 Cb -0.10 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.82 3cfk s SER 120 CO 0.26 0.25 -0.13 -0.69 0.41 0.00 0.00 173.24 173.35 3cfk s VAL 121 N -1.18 2.70 -0.04 3.43 1.01 -1.26 -0.73 120.40 124.32 3cfk s VAL 121 Ca 0.30 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.62 3cfk s VAL 121 Cb -0.18 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 3cfk s VAL 121 CO 0.18 0.49 -0.25 -0.36 0.00 0.00 0.00 175.10 175.15 3cfk s PHE 122 N 1.28 2.35 0.36 5.22 0.08 -0.06 -4.96 117.98 122.25 3cfk s PHE 122 Ca 0.04 -0.59 -0.27 0.00 0.12 0.00 0.00 56.93 56.23 3cfk s PHE 122 Cb -0.14 -1.53 -0.09 0.00 -0.57 0.00 0.00 43.02 40.69 3cfk s PHE 122 CO -0.07 -0.14 1.20 -1.25 -0.10 0.00 0.00 175.22 174.86 3cfk s PRO 123 N -0.35 4.26 -0.69 0.24 0.04 -1.26 -0.05 135.00 137.19 3cfk s PRO 123 Ca 0.02 1.95 -0.08 0.00 0.04 0.00 0.00 61.00 62.93 3cfk s PRO 123 Cb -0.12 -2.90 0.18 0.00 0.04 0.00 0.00 34.50 31.70 3cfk s PRO 123 CO 0.02 -0.17 0.56 -0.51 0.04 0.00 0.00 177.00 176.94 3cfk s LEU 124 N -2.07 5.94 0.24 -3.56 1.43 0.18 -4.79 118.68 116.06 3cfk s LEU 124 Ca 0.52 -2.65 -0.30 0.00 -1.03 0.00 0.00 54.13 50.67 3cfk s LEU 124 Cb -0.34 -2.03 -0.09 0.00 0.03 0.00 0.00 46.19 43.76 3cfk s LEU 124 CO 0.44 -0.50 1.30 0.00 0.23 0.00 0.00 176.35 177.81 3cfk s ALA 125 N 0.24 3.52 0.55 4.21 0.00 -1.26 -1.32 121.76 127.69 3cfk s ALA 125 Ca 0.16 1.14 -0.08 0.00 0.00 0.00 0.00 51.96 53.18 3cfk s ALA 125 Cb -0.17 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 3cfk s ALA 125 CO -0.05 -0.54 0.92 -1.25 0.00 0.00 0.00 175.76 174.83 3cfk s PRO 126 N -0.66 3.58 -0.03 0.00 0.04 -1.26 -4.83 135.00 131.84 3cfk s PRO 126 Ca 0.54 0.51 0.02 0.00 0.04 0.00 0.00 61.00 62.10 3cfk s PRO 126 Cb -0.37 -2.22 0.01 0.00 0.04 0.00 0.00 34.50 31.96 3cfk s PRO 126 CO 0.42 -0.40 -0.07 0.45 0.04 0.00 0.00 177.00 177.45 3cfk s SER 127 N -4.12 1.05 0.56 6.66 0.15 -1.26 -1.62 113.70 115.12 3cfk s SER 127 Ca 0.52 -0.16 0.30 0.00 0.70 0.00 0.00 55.95 57.31 3cfk s SER 127 Cb -0.11 -0.37 1.46 0.00 -1.71 0.00 0.00 66.02 65.30 3cfk s SER 127 CO 0.49 0.02 1.88 -1.28 1.20 0.00 0.00 173.24 175.55 3cfk h SER 128 N 6.67 0.00 0.60 5.45 0.87 -1.97 -1.02 113.55 124.15 3cfk h SER 128 Ca -0.35 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 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 0.48 0.00 -0.38 0.29 -0.53 0.00 0.00 176.83 176.70 3cfk n LYS 129 N -4.03 0.03 -2.80 2.24 5.02 -1.26 -4.43 118.16 112.93 3cfk n LYS 129 Ca 0.15 -0.01 -0.31 0.00 -2.02 0.00 0.00 58.31 56.11 3cfk n LYS 129 Cb 0.87 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.36 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 -1.47 5.44 -4.84 4.39 7.64 -0.39 -5.04 113.62 119.34 3cfk n SER 130 Ca 0.06 -3.70 -0.31 0.00 1.01 0.00 0.00 58.87 55.94 3cfk n SER 130 Cb 0.34 -0.75 -0.05 0.00 -1.01 0.00 0.00 64.21 62.73 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 -4.51 4.97 -0.09 0.44 -4.23 -1.26 -4.61 115.64 106.34 3cfk s THR 133 Ca 0.46 -0.54 -0.07 0.00 -1.18 0.00 0.00 61.69 60.37 3cfk s THR 133 Cb 0.26 -3.39 0.03 0.00 1.34 0.00 0.00 72.50 70.74 3cfk s THR 133 CO -0.15 0.17 0.24 -0.55 -0.54 0.00 0.00 174.62 173.79 3cfk s SER 134 N -2.35 -0.25 -1.52 3.99 0.15 -0.26 -4.89 113.70 108.57 3cfk s SER 134 Ca 0.31 0.49 -0.12 0.00 0.70 0.00 0.00 55.95 57.32 3cfk s SER 134 Cb -0.13 0.44 0.08 0.00 -1.71 0.00 0.00 66.02 64.71 3cfk s SER 134 CO 0.24 -0.12 0.92 0.61 1.20 0.00 0.00 173.24 176.08 3cfk n GLY 135 N 3.48 -0.46 2.48 9.45 0.00 -1.26 -1.61 105.19 117.27 3cfk n GLY 135 Ca -0.18 0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.66 1.29 3.24 -0.02 0.00 -1.26 -5.00 105.19 101.77 3cfk n GLY 136 Ca -0.01 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.34 1.25 -0.04 2.61 -4.23 -0.64 -2.22 115.64 110.03 3cfk s THR 137 Ca 0.00 -1.79 0.01 0.00 -1.18 0.00 0.00 61.69 58.74 3cfk s THR 137 Cb 0.00 -1.58 -0.03 0.00 1.34 0.00 0.00 72.50 72.23 3cfk s THR 137 CO 0.00 -0.51 -0.06 0.00 -0.54 0.00 0.00 174.62 173.51 3cfk s ALA 138 N -2.44 3.03 -0.05 3.99 0.00 0.11 -1.11 121.76 125.30 3cfk s ALA 138 Ca 0.10 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.17 3cfk s ALA 138 Cb -0.03 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 3cfk s ALA 138 CO 0.02 0.59 -0.15 0.00 0.00 0.00 0.00 175.76 176.22 3cfk s ALA 139 N -0.89 2.63 0.10 0.00 0.00 -1.26 -0.84 121.76 121.48 3cfk s ALA 139 Ca 0.14 -0.98 -0.08 0.00 0.00 0.00 0.00 51.96 51.04 3cfk s ALA 139 Cb -0.11 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 3cfk s ALA 139 CO 0.04 0.54 0.18 -0.48 0.00 0.00 0.00 175.76 176.04 3cfk s LEU 140 N -0.67 1.47 0.00 0.00 0.05 -0.05 -3.97 118.68 115.51 3cfk s LEU 140 Ca 0.10 -0.72 -0.03 0.00 0.05 0.00 0.00 54.13 53.53 3cfk s LEU 140 Cb -0.11 0.96 0.01 0.00 -2.05 0.00 0.00 46.19 45.00 3cfk s LEU 140 CO 0.01 -0.74 0.15 0.61 -0.55 0.00 0.00 176.35 175.83 3cfk n GLY 141 N -0.06 0.97 2.93 -3.48 0.00 -0.44 0.80 105.19 105.91 3cfk n GLY 141 Ca -0.14 -0.92 -0.20 0.00 0.00 0.00 0.00 46.02 44.77 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 0.68 4.31 -0.46 0.00 2.96 0.93 -1.25 118.68 125.84 3cfk s LEU 143 Ca -0.10 0.04 -0.13 0.00 -0.22 0.00 0.00 54.13 53.72 3cfk s LEU 143 Cb -0.13 -2.58 0.08 0.00 0.50 0.00 0.00 46.19 44.06 3cfk s LEU 143 CO 0.01 -0.45 0.35 -0.69 -1.32 0.00 0.00 176.35 174.25 3cfk s VAL 144 N 2.37 4.85 0.02 1.68 1.01 0.11 -0.89 120.40 129.55 3cfk s VAL 144 Ca 0.19 -1.22 0.08 0.00 0.00 0.00 0.00 61.98 61.03 3cfk s VAL 144 Cb -0.15 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 3cfk s VAL 144 CO 0.13 -0.57 -0.24 -0.75 0.00 0.00 0.00 175.10 173.67 3cfk s LYS 145 N 1.56 1.74 -0.70 2.72 2.20 0.09 -1.01 119.74 126.33 3cfk s LYS 145 Ca 0.04 -0.95 -0.03 0.00 -0.36 0.00 0.00 55.97 54.67 3cfk s LYS 145 Cb -0.24 -1.79 -0.04 0.00 -1.51 0.00 0.00 37.83 34.25 3cfk s LYS 145 CO 0.05 0.48 0.61 -0.25 -0.36 0.00 0.00 175.35 175.87 3cfk n ASP 146 N 2.11 -4.66 -4.45 1.43 8.00 -0.52 -1.03 116.55 117.44 3cfk n ASP 146 Ca -0.16 -0.46 -0.23 0.00 0.71 0.00 0.00 54.79 54.65 3cfk n ASP 146 Cb 0.52 -3.59 -0.10 0.00 -0.02 0.00 0.00 41.12 37.93 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 -3.25 2.15 -0.28 1.24 1.13 -0.70 -4.27 117.35 113.37 3cfk s TYR 147 Ca 0.26 -0.42 -0.21 0.00 -1.41 0.00 0.00 57.07 55.29 3cfk s TYR 147 Cb -0.03 -0.99 0.09 0.00 -1.10 0.00 0.00 41.96 39.93 3cfk s TYR 147 CO 0.49 0.61 0.77 0.12 -2.51 0.00 0.00 175.55 175.02 3cfk s PHE 148 N -2.65 -0.83 0.34 -3.49 5.36 -0.30 -0.70 117.98 115.72 3cfk s PHE 148 Ca 0.28 1.84 -0.00 0.00 -0.96 0.00 0.00 56.93 58.09 3cfk s PHE 148 Cb -0.03 0.41 0.07 0.00 -0.34 0.00 0.00 43.02 43.13 3cfk s PHE 148 CO 0.13 -0.40 0.46 -0.35 -1.46 0.00 0.00 175.22 173.60 3cfk n PRO 149 N 3.26 0.25 -0.98 10.12 -0.04 -1.26 -0.33 135.00 146.03 3cfk n PRO 149 Ca -0.16 -1.23 -0.31 0.00 -0.04 0.00 0.00 63.50 61.75 3cfk n PRO 149 Cb 0.57 -0.32 0.13 0.00 -0.04 0.00 0.00 33.50 33.84 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 -3.65 1.57 0.40 0.54 0.41 -1.26 -4.74 118.70 111.97 3cfk s GLU 150 Ca 0.30 1.44 0.08 0.00 -0.41 0.00 0.00 54.97 56.38 3cfk s GLU 150 Cb -0.02 -1.80 -0.01 0.00 -1.78 0.00 0.00 34.13 30.52 3cfk s GLU 150 CO 0.20 -2.20 0.44 -1.25 -0.49 0.00 0.00 175.26 171.96 3cfk s PRO 151 N -4.66 2.69 0.03 0.39 0.04 -1.26 -4.94 135.00 127.30 3cfk s PRO 151 Ca 0.66 -1.38 0.05 0.00 0.04 0.00 0.00 61.00 60.37 3cfk s PRO 151 Cb -0.21 -2.54 -0.03 0.00 0.04 0.00 0.00 34.50 31.75 3cfk s PRO 151 CO 0.56 -0.17 -0.12 0.14 0.04 0.00 0.00 177.00 177.44 3cfk s VAL 152 N -2.40 3.24 -0.10 -0.36 -7.23 -1.26 -4.47 120.40 107.82 3cfk s VAL 152 Ca 0.50 -1.02 -0.03 0.00 -1.81 0.00 0.00 61.98 59.61 3cfk s VAL 152 Cb -0.06 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 3cfk s VAL 152 CO 0.30 0.33 0.04 0.42 -0.31 0.00 0.00 175.10 175.88 3cfk s THR 153 N -0.99 4.65 -0.02 5.32 -4.23 -0.69 -4.98 115.64 114.69 3cfk s THR 153 Ca 0.17 -0.12 0.05 0.00 -1.18 0.00 0.00 61.69 60.61 3cfk s THR 153 Cb -0.11 -2.98 -0.01 0.00 1.34 0.00 0.00 72.50 70.74 3cfk s THR 153 CO 0.07 0.61 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.90 3cfk s VAL 154 N -0.88 1.37 0.25 2.29 1.01 -1.26 -1.53 120.40 121.65 3cfk s VAL 154 Ca 0.13 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 3cfk s VAL 154 Cb -0.12 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 3cfk s VAL 154 CO 0.03 0.39 0.30 -0.94 0.00 0.00 0.00 175.10 174.88 3cfk s SER 156 N -0.32 0.41 -0.12 3.32 1.04 -0.31 -4.97 113.70 112.74 3cfk s SER 156 Ca 0.05 -1.33 0.03 0.00 0.48 0.00 0.00 55.95 55.18 3cfk s SER 156 Cb -0.08 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.56 3cfk s SER 156 CO -0.00 -1.03 -0.21 0.26 0.98 0.00 0.00 173.24 173.24 3cfk s TRP 157 N -3.84 2.51 -1.24 5.02 0.52 -1.26 0.21 118.94 120.86 3cfk s TRP 157 Ca 0.33 -1.19 -0.04 0.00 0.02 0.00 0.00 56.10 55.22 3cfk s TRP 157 Cb 0.03 -1.71 -0.01 0.00 -1.15 0.00 0.00 33.47 30.63 3cfk s TRP 157 CO 0.15 -0.53 0.75 0.09 0.02 0.00 0.00 176.95 177.43 3cfk n ASN 162 N 3.93 -2.62 -2.81 2.95 3.02 0.12 -2.03 115.26 117.81 3cfk n ASN 162 Ca -0.20 -0.83 -0.17 0.00 -0.03 0.00 0.00 54.58 53.35 3cfk n ASN 162 Cb 0.52 -4.12 -0.00 0.00 -0.61 0.00 0.00 39.78 35.57 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 -3.01 -4.11 0.00 6.41 7.64 -1.26 -1.21 113.62 118.07 3cfk n SER 163 Ca -0.23 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.59 3cfk n SER 163 Cb 0.66 -3.44 0.00 0.00 -1.01 0.00 0.00 64.21 60.42 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 -1.01 1.20 0.23 0.23 0.00 -0.86 -4.92 105.19 100.05 3cfk n GLY 164 Ca -0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.00 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 1.26 -3.00 4.61 0.00 -1.12 -3.42 119.26 117.59 3cfk h ALA 165 Ca 0.00 -0.21 -0.69 0.00 0.00 0.00 0.00 54.91 54.00 3cfk h ALA 165 Cb 0.00 -0.04 -0.26 0.00 0.00 0.00 0.00 17.79 17.49 3cfk h ALA 165 CO 0.00 0.30 -0.59 -1.17 0.00 0.00 0.00 179.25 177.79 3cfk s LEU 166 N -7.48 4.23 0.00 0.00 2.96 -0.91 -4.92 118.68 112.56 3cfk s LEU 166 Ca -0.02 -0.91 0.00 0.00 -0.22 0.00 0.00 54.13 52.98 3cfk s LEU 166 Cb 0.13 -1.92 0.00 0.00 0.50 0.00 0.00 46.19 44.90 3cfk s LEU 166 CO 0.65 -0.28 0.00 0.35 -1.32 0.00 0.00 176.35 175.74 3cfk n THR 167 N 4.89 0.00 -1.67 3.68 -2.24 -1.26 -4.31 114.28 113.36 3cfk n THR 167 Ca -0.13 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.20 3cfk n THR 167 Cb 0.46 -0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.25 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 -2.27 2.96 0.00 3.42 7.64 -1.26 -2.06 113.62 122.04 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 0.40 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 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 2.68 1.27 3.73 0.23 0.00 -1.26 -4.81 105.19 107.03 3cfk n GLY 169 Ca 0.14 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 -3.58 4.93 -0.14 1.61 1.01 -0.88 -2.14 120.40 121.22 3cfk s VAL 171 Ca 0.00 1.49 -0.01 0.00 0.00 0.00 0.00 61.98 63.46 3cfk s VAL 171 Cb 0.00 -4.05 0.04 0.00 0.00 0.00 0.00 36.38 32.36 3cfk s VAL 171 CO 0.00 0.31 -0.03 -1.00 0.00 0.00 0.00 175.10 174.37 3cfk s HIS 172 N 0.40 1.35 -0.28 5.22 3.76 -0.10 -5.00 115.29 120.63 3cfk s HIS 172 Ca 0.37 -0.80 -0.12 0.00 -0.15 0.00 0.00 55.06 54.37 3cfk s HIS 172 Cb -0.19 -1.15 -0.05 0.00 1.11 0.00 0.00 32.58 32.30 3cfk s HIS 172 CO 0.20 -0.54 0.23 0.99 -0.85 0.00 0.00 174.74 174.77 3cfk s THR 173 N 1.75 5.28 0.43 1.30 2.01 -1.26 -0.54 115.64 124.62 3cfk s THR 173 Ca 0.02 0.21 -0.18 0.00 0.31 0.00 0.00 61.69 62.06 3cfk s THR 173 Cb -0.14 -3.57 -0.09 0.00 0.01 0.00 0.00 72.50 68.70 3cfk s THR 173 CO -0.07 0.21 0.91 -0.36 -0.69 0.00 0.00 174.62 174.62 3cfk s PHE 174 N 1.81 3.38 0.32 4.92 0.08 -0.57 -5.01 117.98 122.91 3cfk s PHE 174 Ca 0.08 1.45 -0.28 0.00 0.12 0.00 0.00 56.93 58.30 3cfk s PHE 174 Cb -0.16 -2.74 -0.13 0.00 -0.57 0.00 0.00 43.02 39.42 3cfk s PHE 174 CO 0.11 -0.15 1.29 -2.30 -0.10 0.00 0.00 175.22 174.06 3cfk n PRO 175 N -0.93 2.06 -2.07 0.24 -0.02 -1.26 -4.60 135.00 128.42 3cfk n PRO 175 Ca 0.06 0.72 -0.36 0.00 -2.02 0.00 0.00 63.50 61.90 3cfk n PRO 175 Cb 0.54 -2.30 0.02 0.00 -0.02 0.00 0.00 33.50 31.74 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 -0.94 2.63 0.02 3.55 0.00 -1.26 -4.81 121.76 120.95 3cfk s ALA 176 Ca 0.57 0.99 0.07 0.00 0.00 0.00 0.00 51.96 53.59 3cfk s ALA 176 Cb -0.59 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.06 3cfk s ALA 176 CO 0.60 -1.05 -0.18 0.08 0.00 0.00 0.00 175.76 175.21 3cfk s VAL 177 N -1.60 2.78 -0.30 0.00 1.01 0.47 -4.94 120.40 117.81 3cfk s VAL 177 Ca 0.75 -1.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.47 3cfk s VAL 177 Cb -0.30 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 3cfk s VAL 177 CO 0.33 0.40 0.39 -0.22 0.00 0.00 0.00 175.10 175.99 3cfk s LEU 178 N -1.26 4.21 0.58 3.92 2.96 -1.26 -1.16 118.68 126.67 3cfk s LEU 178 Ca 0.14 0.08 -0.07 0.00 -0.22 0.00 0.00 54.13 54.05 3cfk s LEU 178 Cb -0.10 -2.42 -0.01 0.00 0.50 0.00 0.00 46.19 44.15 3cfk s LEU 178 CO 0.04 -0.28 0.92 -1.10 -1.32 0.00 0.00 176.35 174.62 3cfk s GLN 179 N 2.10 3.21 0.57 1.98 -0.21 0.04 -4.95 119.66 122.39 3cfk s GLN 179 Ca 0.14 0.26 0.37 0.00 0.02 0.00 0.00 55.36 56.16 3cfk s GLN 179 Cb -0.16 -2.23 1.81 0.00 1.00 0.00 0.00 33.01 33.44 3cfk s GLN 179 CO 0.11 -0.59 2.12 0.66 -2.12 0.00 0.00 175.29 175.47 3cfk h SER 180 N -0.17 0.00 0.59 5.90 4.64 -1.98 -0.33 113.55 122.21 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 -2.97 0.58 0.00 4.97 3.41 -1.26 -4.88 113.62 113.48 3cfk n SER 182 Ca -0.01 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 3cfk n SER 182 Cb 0.17 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 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 -0.22 0.75 3.84 5.00 0.00 -0.13 -5.06 105.19 109.37 3cfk n GLY 183 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 3.95 0.35 0.99 1.43 -1.26 -4.85 118.68 119.30 3cfk s LEU 184 Ca 0.00 -0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.05 3cfk s LEU 184 Cb 0.00 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 3cfk s LEU 184 CO 0.00 0.08 0.59 -0.31 0.23 0.00 0.00 176.35 176.93 3cfk s TYR 185 N -1.71 3.50 -0.15 0.29 2.02 0.12 -0.78 117.35 120.64 3cfk s TYR 185 Ca 0.32 0.51 -0.16 0.00 -0.37 0.00 0.00 57.07 57.37 3cfk s TYR 185 Cb -0.11 -2.02 0.04 0.00 -0.40 0.00 0.00 41.96 39.48 3cfk s TYR 185 CO 0.25 0.07 0.45 0.45 -1.57 0.00 0.00 175.55 175.20 3cfk s SER 186 N -3.78 -0.46 0.07 2.29 0.15 -0.31 -1.44 113.70 110.23 3cfk s SER 186 Ca 0.42 0.84 -0.13 0.00 0.70 0.00 0.00 55.95 57.79 3cfk s SER 186 Cb -0.10 0.87 0.02 0.00 -1.71 0.00 0.00 66.02 65.09 3cfk s SER 186 CO 0.36 -0.20 0.29 -1.48 1.20 0.00 0.00 173.24 173.41 3cfk s LEU 187 N 0.06 0.95 0.09 3.45 0.05 -0.18 -0.40 118.68 122.71 3cfk s LEU 187 Ca -0.01 -0.33 0.07 0.00 0.05 0.00 0.00 54.13 53.90 3cfk s LEU 187 Cb -0.03 1.35 -0.03 0.00 -2.05 0.00 0.00 46.19 45.42 3cfk s LEU 187 CO 0.01 -0.68 -0.19 -0.94 -0.55 0.00 0.00 176.35 174.00 3cfk s SER 188 N -2.39 2.25 -0.05 1.48 1.04 -1.26 0.04 113.70 114.80 3cfk s SER 188 Ca -0.01 -0.66 0.02 0.00 0.48 0.00 0.00 55.95 55.78 3cfk s SER 188 Cb 0.01 -0.11 0.01 0.00 0.10 0.00 0.00 66.02 66.03 3cfk s SER 188 CO -0.07 0.01 -0.12 -0.55 0.98 0.00 0.00 173.24 173.50 3cfk s SER 189 N -1.85 1.65 0.13 7.02 0.15 -0.38 -1.51 113.70 118.91 3cfk s SER 189 Ca 0.04 -0.27 0.06 0.00 0.70 0.00 0.00 55.95 56.48 3cfk s SER 189 Cb -0.10 -0.67 -0.04 0.00 -1.71 0.00 0.00 66.02 63.50 3cfk s SER 189 CO 0.04 0.05 -0.14 0.68 1.20 0.00 0.00 173.24 175.06 3cfk s VAL 190 N 0.51 1.38 -0.05 4.45 -7.23 0.30 -0.57 120.40 119.20 3cfk s VAL 190 Ca -0.11 -1.77 0.04 0.00 -1.81 0.00 0.00 61.98 58.33 3cfk s VAL 190 Cb -0.14 -1.59 -0.00 0.00 0.56 0.00 0.00 36.38 35.21 3cfk s VAL 190 CO 0.03 -0.43 -0.16 -0.69 -0.31 0.00 0.00 175.10 173.53 3cfk s VAL 191 N -2.23 1.39 -0.03 1.32 1.01 0.24 -0.93 120.40 121.17 3cfk s VAL 191 Ca 0.10 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.42 3cfk s VAL 191 Cb -0.04 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 3cfk s VAL 191 CO 0.03 0.40 -0.06 0.42 0.00 0.00 0.00 175.10 175.89 3cfk s THR 192 N 0.11 3.70 0.05 3.92 -4.23 -0.91 -0.87 115.64 117.41 3cfk s THR 192 Ca -0.05 -0.63 0.02 0.00 -1.18 0.00 0.00 61.69 59.85 3cfk s THR 192 Cb -0.12 -2.57 -0.03 0.00 1.34 0.00 0.00 72.50 71.13 3cfk s THR 192 CO 0.02 0.49 -0.07 0.68 -0.54 0.00 0.00 174.62 175.20 3cfk s VAL 193 N -0.92 0.50 0.22 2.29 -7.23 -0.02 -4.54 120.40 110.69 3cfk s VAL 193 Ca 0.15 -1.24 -0.32 0.00 -1.81 0.00 0.00 61.98 58.77 3cfk s VAL 193 Cb -0.11 -0.79 -0.13 0.00 0.56 0.00 0.00 36.38 35.91 3cfk s VAL 193 CO 0.05 -0.51 1.50 -2.65 -0.31 0.00 0.00 175.10 173.18 3cfk n PRO 194 N 1.16 2.20 -0.23 4.82 -0.02 -1.26 0.08 135.00 141.75 3cfk n PRO 194 Ca -0.21 0.79 -0.04 0.00 -2.02 0.00 0.00 63.50 62.02 3cfk n PRO 194 Cb 0.56 -2.50 0.02 0.00 -0.02 0.00 0.00 33.50 31.56 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 4.94 -1.09 0.22 2.55 0.02 -1.72 -0.27 113.55 118.20 3cfk h SER 195 Ca -0.45 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3cfk h SER 195 Cb 1.26 0.57 0.00 0.00 0.14 0.00 0.00 62.40 64.37 3cfk h SER 195 CO 0.81 -0.29 0.00 -1.20 -1.14 0.00 0.00 176.83 175.01 3cfk n SER 196 N -5.45 0.48 -0.70 3.07 7.64 -1.26 -1.80 113.62 115.60 3cfk n SER 196 Ca 0.06 0.69 0.11 0.00 1.01 0.00 0.00 58.87 60.73 3cfk n SER 196 Cb 0.36 -0.76 0.32 0.00 -1.01 0.00 0.00 64.21 63.12 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 -2.10 2.11 0.25 6.43 3.41 -0.11 -4.66 113.62 118.94 3cfk n SER 197 Ca -0.00 -1.79 -0.16 0.00 -0.26 0.00 0.00 58.87 56.66 3cfk n SER 197 Cb 0.09 -0.14 -0.08 0.00 -0.26 0.00 0.00 64.21 63.82 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 2.76 -0.86 0.00 1.04 5.85 -1.45 -1.53 115.31 121.12 3cfk h LEU 198 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3cfk h LEU 198 Cb 0.61 0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.92 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 -0.55 0.20 3.75 0.00 -1.26 -3.88 105.19 102.00 3cfk n GLY 199 Ca -0.10 -0.09 0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 0.47 -3.38 2.61 2.02 -1.59 -3.46 112.91 109.58 3cfk h THR 200 Ca 0.00 -1.34 -0.03 0.00 0.77 0.00 0.00 66.41 65.82 3cfk h THR 200 Cb 0.03 1.97 -0.10 0.00 -1.74 0.00 0.00 68.15 68.31 3cfk h THR 200 CO 0.00 0.23 -0.00 0.00 0.37 0.00 0.00 175.52 176.11 3cfk s GLN 203 N -3.37 1.41 0.14 6.66 -2.07 -1.25 -5.16 119.66 116.02 3cfk s GLN 203 Ca 0.03 -0.95 -0.20 0.00 -1.82 0.00 0.00 55.36 52.42 3cfk s GLN 203 Cb 0.08 0.51 -0.07 0.00 -1.09 0.00 0.00 33.01 32.44 3cfk s GLN 203 CO 0.66 -0.59 0.65 0.99 -1.32 0.00 0.00 175.29 175.68 3cfk s THR 205 N -3.90 4.62 -0.19 3.63 2.01 -1.26 -5.04 115.64 115.51 3cfk s THR 205 Ca 0.12 1.31 0.01 0.00 0.31 0.00 0.00 61.69 63.43 3cfk s THR 205 Cb -0.01 -3.93 0.03 0.00 0.01 0.00 0.00 72.50 68.60 3cfk s THR 205 CO -0.00 0.43 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.88 3cfk s TYR 206 N -1.25 2.71 -0.12 4.92 2.02 -1.26 -4.95 117.35 119.41 3cfk s TYR 206 Ca 0.35 -1.66 0.01 0.00 -0.37 0.00 0.00 57.07 55.39 3cfk s TYR 206 Cb -0.19 -1.84 0.02 0.00 -0.40 0.00 0.00 41.96 39.55 3cfk s TYR 206 CO 0.21 -0.79 -0.13 0.42 -1.57 0.00 0.00 175.55 173.69 3cfk s ILE 207 N 1.31 1.41 -0.11 2.71 1.01 -1.26 -1.03 121.20 125.23 3cfk s ILE 207 Ca 0.03 -0.55 -0.17 0.00 0.00 0.00 0.00 60.65 59.95 3cfk s ILE 207 Cb -0.14 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 3cfk s ILE 207 CO -0.11 0.43 0.44 0.00 0.00 0.00 0.00 174.94 175.70 3cfk s ASN 209 N 0.39 5.63 -0.17 0.00 -0.87 0.13 -1.52 114.94 118.53 3cfk s ASN 209 Ca 0.24 -0.07 0.01 0.00 -1.57 0.00 0.00 52.86 51.47 3cfk s ASN 209 Cb -0.15 -2.02 0.02 0.00 -0.02 0.00 0.00 41.25 39.08 3cfk s ASN 209 CO 0.10 -0.01 -0.17 -0.69 -2.57 0.00 0.00 177.10 173.76 3cfk s VAL 210 N 1.52 1.82 -0.06 1.60 1.01 0.65 -1.16 120.40 125.78 3cfk s VAL 210 Ca 0.06 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.26 3cfk s VAL 210 Cb -0.15 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 3cfk s VAL 210 CO 0.07 0.46 -0.20 0.21 0.00 0.00 0.00 175.10 175.64 3cfk s ASN 211 N 1.38 3.54 -0.38 3.32 2.47 -0.58 -0.80 114.94 123.88 3cfk s ASN 211 Ca 0.04 -0.37 0.01 0.00 0.42 0.00 0.00 52.86 52.96 3cfk s ASN 211 Cb -0.13 -0.90 0.13 0.00 -1.45 0.00 0.00 41.25 38.89 3cfk s ASN 211 CO -0.11 0.28 0.20 -2.28 -3.72 0.00 0.00 177.10 171.46 3cfk s HIS 212 N -0.33 1.47 0.24 0.43 5.65 0.34 -1.70 115.29 121.40 3cfk s HIS 212 Ca 0.02 -1.98 -0.06 0.00 0.25 0.00 0.00 55.06 53.29 3cfk s HIS 212 Cb -0.13 -1.52 0.30 0.00 -1.18 0.00 0.00 32.58 30.06 3cfk s HIS 212 CO 0.02 -0.82 1.87 0.87 -0.65 0.00 0.00 174.74 176.03 3cfk h LYS 213 N 7.16 1.01 -0.38 2.88 1.57 -1.82 -2.18 116.57 124.82 3cfk h LYS 213 Ca -0.02 -0.06 0.10 0.00 -1.87 0.00 0.00 60.65 58.79 3cfk h LYS 213 Cb 0.96 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 3cfk h LYS 213 CO 0.41 0.67 0.27 -1.35 -0.57 0.00 0.00 179.45 178.88 3cfk h PRO 214 N 1.04 0.06 -0.35 3.15 0.11 -1.92 -1.85 132.00 132.24 3cfk h PRO 214 Ca 0.36 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 3cfk h PRO 214 Cb 0.09 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.19 3cfk h PRO 214 CO -0.15 0.04 0.00 -1.13 -0.21 0.00 0.00 178.00 176.55 3cfk n SER 215 N -4.44 2.93 -4.07 -2.05 3.41 -1.01 -4.98 113.62 103.41 3cfk n SER 215 Ca 0.06 -2.00 -0.34 0.00 -0.26 0.00 0.00 58.87 56.33 3cfk n SER 215 Cb 0.41 -0.23 -0.00 0.00 -0.26 0.00 0.00 64.21 64.13 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 0.52 -3.99 -4.62 4.04 3.02 -0.70 -4.89 115.26 108.64 3cfk n ASN 216 Ca 0.12 -0.89 -0.38 0.00 -0.03 0.00 0.00 54.58 53.39 3cfk n ASN 216 Cb 0.43 -3.22 -0.09 0.00 -0.61 0.00 0.00 39.78 36.28 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 -3.27 5.25 -0.10 3.41 2.01 -0.97 -4.98 115.64 116.99 3cfk s THR 217 Ca 0.71 0.42 0.04 0.00 0.31 0.00 0.00 61.69 63.16 3cfk s THR 217 Cb -0.37 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.51 3cfk s THR 217 CO 0.87 0.23 -0.23 -0.54 -0.69 0.00 0.00 174.62 174.27 3cfk s LYS 218 N 1.67 2.92 -0.03 4.92 1.02 -1.26 -0.50 119.74 128.48 3cfk s LYS 218 Ca 0.12 -0.83 0.01 0.00 0.02 0.00 0.00 55.97 55.29 3cfk s LYS 218 Cb -0.15 -2.22 0.02 0.00 -0.52 0.00 0.00 37.83 34.95 3cfk s LYS 218 CO 0.09 0.16 -0.02 0.08 -0.92 0.00 0.00 175.35 174.73 3cfk s VAL 219 N 0.39 0.30 -0.26 3.17 1.01 0.02 -5.00 120.40 120.03 3cfk s VAL 219 Ca -0.18 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 3cfk s VAL 219 Cb -0.18 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 35.88 3cfk s VAL 219 CO 0.08 0.15 -0.02 -1.81 0.00 0.00 0.00 175.10 173.50 3cfk s ASP 220 N 0.72 4.54 -0.23 3.32 1.01 -1.26 -0.25 116.67 124.52 3cfk s ASP 220 Ca -0.08 -0.79 -0.02 0.00 0.71 0.00 0.00 52.55 52.37 3cfk s ASP 220 Cb -0.11 -1.73 0.01 0.00 1.01 0.00 0.00 42.92 42.10 3cfk s ASP 220 CO -0.01 -0.14 -0.08 -0.75 0.21 0.00 0.00 175.17 174.40 3cfk s LYS 221 N 1.38 3.03 0.01 8.23 2.47 -0.58 -4.97 119.74 129.32 3cfk s LYS 221 Ca 0.01 -0.84 -0.30 0.00 -1.56 0.00 0.00 55.97 53.28 3cfk s LYS 221 Cb -0.17 -2.92 -0.04 0.00 -1.46 0.00 0.00 37.83 33.24 3cfk s LYS 221 CO -0.02 -0.30 1.12 0.21 0.16 0.00 0.00 175.35 176.51 3cfk s LYS 222 N 1.37 4.46 -0.68 4.03 2.20 -1.26 -1.97 119.74 127.89 3cfk s LYS 222 Ca 0.03 1.63 -0.10 0.00 -0.36 0.00 0.00 55.97 57.16 3cfk s LYS 222 Cb -0.15 -3.43 0.18 0.00 -1.51 0.00 0.00 37.83 32.92 3cfk s LYS 222 CO -0.06 -0.23 0.57 0.08 -0.36 0.00 0.00 175.35 175.36 3cfk s VAL 223 N 1.29 4.80 -0.14 4.02 1.01 -0.20 -4.95 120.40 126.23 3cfk s VAL 223 Ca 0.56 -2.37 -0.26 0.00 0.00 0.00 0.00 61.98 59.90 3cfk s VAL 223 Cb -0.26 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 3cfk s VAL 223 CO 0.27 -0.92 0.88 -1.61 0.00 0.00 0.00 175.10 173.71 3cfk s GLU 226 N 0.48 4.35 0.01 2.72 2.02 -1.26 -4.56 118.70 122.46 3cfk s GLU 226 Ca 0.14 1.13 -0.38 0.00 0.02 0.00 0.00 54.97 55.87 3cfk s GLU 226 Cb -0.18 -3.55 -0.17 0.00 0.10 0.00 0.00 34.13 30.33 3cfk s GLU 226 CO -0.05 -0.29 1.36 -2.30 0.02 0.00 0.00 175.26 174.00 3cfk n PRO 227 N 5.04 0.95 0.00 0.39 -0.02 -1.26 -4.56 135.00 135.54 3cfk n PRO 227 Ca 0.05 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3cfk n PRO 227 Cb 0.49 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3cfk n PRO 227 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11