#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 3.02 -0.04 2.62 1.01 -1.26 -3.97 120.40 121.78 3cfk s VAL 2 Ca 0.00 0.71 0.04 0.00 0.00 0.00 0.00 61.98 62.74 3cfk s VAL 2 Cb 0.00 -3.46 -0.00 0.00 0.00 0.00 0.00 36.38 32.92 3cfk s VAL 2 CO 0.00 0.05 -0.16 -0.54 0.00 0.00 0.00 175.10 174.45 3cfk s LYS 3 N 1.24 1.62 -0.43 2.72 1.02 -0.69 -4.99 119.74 120.23 3cfk s LYS 3 Ca 0.67 -0.56 0.02 0.00 0.02 0.00 0.00 55.97 56.13 3cfk s LYS 3 Cb -0.40 -1.43 0.14 0.00 -0.52 0.00 0.00 37.83 35.62 3cfk s LYS 3 CO 0.31 0.23 0.25 -0.51 -0.92 0.00 0.00 175.35 174.70 3cfk s LEU 4 N 0.04 2.40 -0.46 3.17 1.43 -1.26 -2.02 118.68 121.99 3cfk s LEU 4 Ca -0.03 -2.62 -0.21 0.00 -1.03 0.00 0.00 54.13 50.24 3cfk s LEU 4 Cb -0.11 -0.91 0.03 0.00 0.03 0.00 0.00 46.19 45.23 3cfk s LEU 4 CO 0.02 -0.26 0.67 -0.76 0.23 0.00 0.00 176.35 176.25 3cfk s LEU 5 N 0.39 4.51 0.42 1.79 1.43 -0.57 -4.16 118.68 122.49 3cfk s LEU 5 Ca 0.19 -0.39 -0.14 0.00 -1.03 0.00 0.00 54.13 52.76 3cfk s LEU 5 Cb -0.22 -2.72 -0.08 0.00 0.03 0.00 0.00 46.19 43.20 3cfk s LEU 5 CO -0.01 -0.84 0.83 -1.61 0.23 0.00 0.00 176.35 174.95 3cfk s GLU 6 N 2.92 3.90 0.30 1.70 8.01 -1.26 -1.57 118.70 132.70 3cfk s GLU 6 Ca 0.23 0.68 -0.18 0.00 0.01 0.00 0.00 54.97 55.71 3cfk s GLU 6 Cb -0.14 -2.31 0.02 0.00 -4.31 0.00 0.00 34.13 27.39 3cfk s GLU 6 CO 0.18 -0.06 0.69 -1.54 0.01 0.00 0.00 175.26 174.54 3cfk s SER 7 N -2.91 -0.13 0.00 -0.19 1.04 -0.26 -4.86 113.70 106.39 3cfk s SER 7 Ca 0.55 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 56.17 3cfk s SER 7 Cb -0.10 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.75 3cfk s SER 7 CO 0.28 -1.39 0.00 0.61 0.98 0.00 0.00 173.24 173.71 3cfk n GLY 8 N -0.47 0.61 3.90 7.32 0.00 -1.26 -1.09 105.19 114.19 3cfk n GLY 8 Ca -0.04 0.00 -0.29 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 -1.34 -1.38 0.00 -0.02 0.00 -1.26 -4.70 105.19 96.50 3cfk n GLY 9 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 -3.71 0.83 3.71 -0.02 0.00 0.25 -4.95 105.19 101.30 3cfk n GLY 10 Ca 0.17 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 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 -2.16 118.68 123.66 3cfk s LEU 11 Ca 0.00 1.60 0.06 0.00 -0.22 0.00 0.00 54.13 55.57 3cfk s LEU 11 Cb 0.00 -3.50 -0.03 0.00 0.50 0.00 0.00 46.19 43.16 3cfk s LEU 11 CO 0.00 -0.22 -0.15 0.00 -1.32 0.00 0.00 176.35 174.66 3cfk s ALA 12 N 0.90 1.28 0.28 5.97 0.00 -0.19 -4.97 121.76 125.05 3cfk s ALA 12 Ca 0.50 -1.06 -0.15 0.00 0.00 0.00 0.00 51.96 51.24 3cfk s ALA 12 Cb -0.21 -0.11 -0.08 0.00 0.00 0.00 0.00 23.12 22.72 3cfk s ALA 12 CO 0.27 0.18 0.70 -0.65 0.00 0.00 0.00 175.76 176.26 3cfk s GLN 13 N -1.85 4.03 0.30 0.00 -0.21 -1.26 -1.80 119.66 118.86 3cfk s GLN 13 Ca 0.00 0.65 -0.30 0.00 0.02 0.00 0.00 55.36 55.74 3cfk s GLN 13 Cb -0.09 -2.58 -0.12 0.00 1.00 0.00 0.00 33.01 31.21 3cfk s GLN 13 CO 0.03 0.25 1.41 -2.30 -2.12 0.00 0.00 175.29 172.55 3cfk n PRO 14 N -0.04 2.25 0.00 2.91 -0.02 -1.26 -1.60 135.00 137.23 3cfk n PRO 14 Ca 0.01 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3cfk n PRO 14 Cb 0.53 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 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 1.52 2.99 3.87 -1.23 0.00 0.16 -4.88 105.19 107.62 3cfk n GLY 15 Ca 0.08 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 -1.68 1.59 0.41 -0.02 0.00 -0.63 -3.59 107.32 103.41 3cfk s GLY 16 Ca 0.00 -0.64 0.07 0.00 0.00 0.00 0.00 44.72 44.16 3cfk s GLY 16 CO 0.00 -0.12 0.18 -1.35 0.00 0.00 0.00 173.10 171.81 3cfk s SER 17 N -4.45 4.44 -0.24 1.64 1.04 -1.26 -2.29 113.70 112.59 3cfk s SER 17 Ca 0.63 -1.06 -0.26 0.00 0.48 0.00 0.00 55.95 55.74 3cfk s SER 17 Cb -0.12 -0.49 0.08 0.00 0.10 0.00 0.00 66.02 65.59 3cfk s SER 17 CO 0.50 -0.53 0.77 -0.22 0.98 0.00 0.00 173.24 174.74 3cfk s LEU 18 N -3.90 -0.68 -0.26 2.42 2.96 0.73 -4.97 118.68 114.98 3cfk s LEU 18 Ca 0.41 1.24 0.02 0.00 -0.22 0.00 0.00 54.13 55.57 3cfk s LEU 18 Cb 0.03 2.38 0.05 0.00 0.50 0.00 0.00 46.19 49.16 3cfk s LEU 18 CO 0.23 -0.29 -0.10 -0.75 -1.32 0.00 0.00 176.35 174.12 3cfk s LYS 19 N 0.09 2.34 0.31 1.98 2.20 -1.26 0.96 119.74 126.36 3cfk s LYS 19 Ca -0.01 -1.29 -0.11 0.00 -0.36 0.00 0.00 55.97 54.20 3cfk s LYS 19 Cb -0.04 -2.92 -0.07 0.00 -1.51 0.00 0.00 37.83 33.28 3cfk s LYS 19 CO 0.01 -0.55 0.67 -0.51 -0.36 0.00 0.00 175.35 174.61 3cfk s LEU 20 N 1.14 4.03 0.13 5.43 1.43 0.44 -4.64 118.68 126.65 3cfk s LEU 20 Ca -0.07 1.08 -0.03 0.00 -1.03 0.00 0.00 54.13 54.08 3cfk s LEU 20 Cb -0.19 -3.89 -0.03 0.00 0.03 0.00 0.00 46.19 42.10 3cfk s LEU 20 CO -0.05 -0.22 0.10 -0.94 0.23 0.00 0.00 176.35 175.48 3cfk s SER 21 N -2.62 0.26 -0.20 2.29 1.04 -0.25 -1.01 113.70 113.21 3cfk s SER 21 Ca 0.50 -1.10 -0.07 0.00 0.48 0.00 0.00 55.95 55.75 3cfk s SER 21 Cb -0.11 0.32 0.09 0.00 0.10 0.00 0.00 66.02 66.42 3cfk s SER 21 CO 0.23 -0.75 0.42 0.00 0.98 0.00 0.00 173.24 174.12 3cfk s ALA 23 N 2.41 3.30 0.04 0.00 0.00 -0.61 -0.72 121.76 126.19 3cfk s ALA 23 Ca -0.03 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.22 3cfk s ALA 23 Cb -0.11 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.32 3cfk s ALA 23 CO -0.13 0.40 -0.19 0.00 0.00 0.00 0.00 175.76 175.84 3cfk s ALA 24 N -0.29 2.56 0.20 0.00 0.00 -0.12 -1.51 121.76 122.60 3cfk s ALA 24 Ca 0.07 -1.21 -0.10 0.00 0.00 0.00 0.00 51.96 50.72 3cfk s ALA 24 Cb -0.12 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 3cfk s ALA 24 CO 0.02 0.57 0.35 -1.54 0.00 0.00 0.00 175.76 175.15 3cfk s SER 25 N -1.44 -0.01 0.00 0.00 1.04 -0.85 -4.82 113.70 107.61 3cfk s SER 25 Ca 0.14 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.64 3cfk s SER 25 Cb -0.10 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.51 3cfk s SER 25 CO 0.05 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.90 3cfk n GLY 26 N -0.29 0.76 3.59 7.32 0.00 -1.26 -1.70 105.19 113.62 3cfk n GLY 26 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.77 -0.09 -1.31 1.61 -0.71 -1.26 -4.53 117.98 108.91 3cfk s PHE 27 Ca 0.00 -0.27 -0.18 0.00 -1.04 0.00 0.00 56.93 55.44 3cfk s PHE 27 Cb 0.00 0.44 0.05 0.00 -1.21 0.00 0.00 43.02 42.29 3cfk s PHE 27 CO 0.00 -0.99 1.86 -3.47 -1.34 0.00 0.00 175.22 171.29 3cfk n ASP 28 N -0.37 4.51 -0.34 1.98 2.03 -1.26 -4.82 116.55 118.29 3cfk n ASP 28 Ca -0.08 -2.88 0.22 0.00 0.52 0.00 0.00 54.79 52.57 3cfk n ASP 28 Cb 0.62 -1.71 0.45 0.00 -0.72 0.00 0.00 41.12 39.75 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 7.40 0.95 -1.03 -0.67 3.57 -1.96 -0.02 116.94 125.18 3cfk h PHE 29 Ca 0.46 0.04 0.30 0.00 3.53 0.00 0.00 57.97 62.29 3cfk h PHE 29 Cb 0.82 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.26 3cfk h PHE 29 CO 1.42 -0.11 0.76 0.00 -2.23 0.00 0.00 178.31 178.14 3cfk h ARG 30 N 0.39 0.00 -0.00 1.11 3.08 -1.88 -2.06 114.38 115.02 3cfk h ARG 30 Ca 0.71 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.76 3cfk h ARG 30 Cb 1.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.60 3cfk h ARG 30 CO -0.57 0.00 -0.68 0.54 -1.07 0.00 0.00 179.97 178.19 3cfk n ARG 31 N -4.16 0.09 -4.20 0.04 1.74 -0.02 -4.62 116.66 105.52 3cfk n ARG 31 Ca 0.22 -0.06 -0.35 0.00 -0.77 0.00 0.00 57.85 56.88 3cfk n ARG 31 Cb 1.11 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.96 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 -2.95 3.27 0.49 -1.55 2.02 -0.77 -4.85 117.35 113.00 3cfk s TYR 32 Ca 0.11 0.23 -0.22 0.00 -0.37 0.00 0.00 57.07 56.82 3cfk s TYR 32 Cb 0.17 -1.88 -0.07 0.00 -0.40 0.00 0.00 41.96 39.78 3cfk s TYR 32 CO 0.75 0.46 1.15 -1.58 -1.57 0.00 0.00 175.55 174.76 3cfk s TRP 33 N -0.66 2.81 0.11 2.71 0.52 -1.25 -4.09 118.94 119.09 3cfk s TRP 33 Ca 0.11 1.54 0.07 0.00 0.02 0.00 0.00 56.10 57.85 3cfk s TRP 33 Cb -0.12 -3.34 -0.04 0.00 -1.15 0.00 0.00 33.47 28.83 3cfk s TRP 33 CO 0.02 -1.50 -0.18 -1.64 0.02 0.00 0.00 176.95 173.67 3cfk s MET 34 N -2.91 1.07 0.05 4.98 -1.94 -0.28 -2.09 119.30 118.18 3cfk s MET 34 Ca 0.67 -1.17 0.03 0.00 -1.71 0.00 0.00 55.69 53.50 3cfk s MET 34 Cb -0.27 -1.20 -0.03 0.00 2.01 0.00 0.00 34.83 35.35 3cfk s MET 34 CO 0.32 0.26 -0.09 0.99 -0.01 0.00 0.00 175.02 176.49 3cfk s THR 35 N -1.47 0.68 -0.05 2.05 2.01 0.50 -0.75 115.64 118.60 3cfk s THR 35 Ca 0.07 -1.21 0.02 0.00 0.31 0.00 0.00 61.69 60.88 3cfk s THR 35 Cb -0.09 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.59 3cfk s THR 35 CO 0.04 -0.40 -0.08 0.26 -0.69 0.00 0.00 174.62 173.75 3cfk s TRP 36 N -1.57 2.88 0.03 4.92 0.52 -0.62 -1.12 118.94 123.98 3cfk s TRP 36 Ca -0.06 -0.03 0.02 0.00 0.02 0.00 0.00 56.10 56.05 3cfk s TRP 36 Cb -0.09 -1.67 -0.02 0.00 -1.15 0.00 0.00 33.47 30.54 3cfk s TRP 36 CO 0.00 0.31 -0.06 0.08 0.02 0.00 0.00 176.95 177.30 3cfk s VAL 37 N -0.83 0.42 0.11 4.03 1.01 -0.39 -1.94 120.40 122.81 3cfk s VAL 37 Ca 0.13 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.22 3cfk s VAL 37 Cb -0.11 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 3cfk s VAL 37 CO 0.02 -0.34 -0.09 0.00 0.00 0.00 0.00 175.10 174.69 3cfk s ARG 38 N -1.36 0.90 -0.21 2.72 1.70 -0.25 0.12 118.95 122.57 3cfk s ARG 38 Ca -0.10 -1.28 -0.05 0.00 -0.47 0.00 0.00 55.73 53.84 3cfk s ARG 38 Cb -0.09 -0.49 0.08 0.00 -0.57 0.00 0.00 34.95 33.88 3cfk s ARG 38 CO 0.00 0.06 0.11 -1.14 -1.08 0.00 0.00 175.30 173.25 3cfk s GLN 39 N -3.28 0.11 0.79 3.89 0.74 -0.36 -0.31 119.66 121.25 3cfk s GLN 39 Ca 0.10 -0.23 -0.12 0.00 0.05 0.00 0.00 55.36 55.15 3cfk s GLN 39 Cb 0.00 -1.57 0.07 0.00 1.10 0.00 0.00 33.01 32.62 3cfk s GLN 39 CO -0.01 -0.80 1.15 0.00 -0.55 0.00 0.00 175.29 175.09 3cfk s ALA 40 N 2.13 1.97 0.12 1.58 0.00 -1.26 -1.82 121.76 124.48 3cfk s ALA 40 Ca 0.05 0.62 -0.33 0.00 0.00 0.00 0.00 51.96 52.30 3cfk s ALA 40 Cb -0.16 -3.41 -0.12 0.00 0.00 0.00 0.00 23.12 19.43 3cfk s ALA 40 CO -0.19 -2.09 1.73 -2.30 0.00 0.00 0.00 175.76 172.91 3cfk n PRO 41 N -3.37 2.48 -1.24 0.00 -0.02 -1.26 -1.90 135.00 129.68 3cfk n PRO 41 Ca 0.12 0.90 -0.08 0.00 -2.02 0.00 0.00 63.50 62.41 3cfk n PRO 41 Cb 0.52 -2.73 -0.04 0.00 -0.02 0.00 0.00 33.50 31.23 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 3.91 0.93 3.33 -1.23 0.00 -1.26 -4.98 105.19 105.89 3cfk n GLY 42 Ca 0.18 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.63 0.72 -1.78 1.61 5.02 -0.80 -5.16 118.16 116.14 3cfk n LYS 43 Ca -0.08 -3.41 -0.20 0.00 -2.02 0.00 0.00 58.31 52.59 3cfk n LYS 43 Cb 0.41 1.35 0.13 0.00 -0.02 0.00 0.00 35.03 36.90 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 -0.71 -0.44 3.81 0.72 0.00 -1.26 -4.69 105.19 102.61 3cfk n GLY 44 Ca -0.13 -1.85 -0.35 0.00 0.00 0.00 0.00 46.02 43.69 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 4.24 -0.14 0.99 1.43 -1.26 -4.22 118.68 119.72 3cfk s LEU 45 Ca 0.55 1.53 -0.02 0.00 -1.03 0.00 0.00 54.13 55.16 3cfk s LEU 45 Cb -0.02 -3.91 0.04 0.00 0.03 0.00 0.00 46.19 42.33 3cfk s LEU 45 CO 0.38 -0.09 0.00 -0.70 0.23 0.00 0.00 176.35 176.17 3cfk s GLU 46 N -2.35 0.80 0.07 1.70 2.12 0.58 -4.99 118.70 116.64 3cfk s GLU 46 Ca 0.49 -0.22 -0.31 0.00 0.36 0.00 0.00 54.97 55.29 3cfk s GLU 46 Cb -0.15 -1.63 -0.08 0.00 0.26 0.00 0.00 34.13 32.54 3cfk s GLU 46 CO 0.20 -0.46 1.49 -0.46 -0.54 0.00 0.00 175.26 175.49 3cfk s TRP 47 N 1.86 2.87 -0.21 5.30 -0.00 -1.26 -1.09 118.94 126.41 3cfk s TRP 47 Ca 0.02 0.69 -0.16 0.00 -0.00 0.00 0.00 56.10 56.65 3cfk s TRP 47 Cb -0.15 -3.79 -0.10 0.00 -0.00 0.00 0.00 33.47 29.44 3cfk s TRP 47 CO -0.07 -2.95 -0.18 -0.89 -0.00 0.00 0.00 176.95 172.85 3cfk n ILE 48 N 4.39 1.50 -0.44 5.86 5.41 -0.82 -4.38 119.36 130.88 3cfk n ILE 48 Ca 0.14 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.85 3cfk n ILE 48 Cb 0.42 -2.15 0.00 0.00 -0.71 0.00 0.00 39.64 37.20 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 1.43 -1.26 3.18 7.39 0.00 -1.20 0.08 105.19 114.80 3cfk n GLY 49 Ca -0.29 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.74 0.60 -0.01 1.61 -1.05 0.84 -1.59 118.70 117.36 3cfk s GLU 50 Ca 0.00 -0.34 0.03 0.00 -0.15 0.00 0.00 54.97 54.51 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 -0.11 -1.50 0.95 0.00 0.00 175.26 174.44 3cfk s ILE 51 N -1.53 0.87 0.76 1.83 2.07 0.07 -1.50 121.20 123.77 3cfk s ILE 51 Ca -0.13 -0.48 -0.09 0.00 -1.41 0.00 0.00 60.65 58.54 3cfk s ILE 51 Cb -0.06 -0.73 0.08 0.00 0.13 0.00 0.00 42.46 41.88 3cfk s ILE 51 CO 0.02 0.24 1.09 0.54 -1.91 0.00 0.00 174.94 174.93 3cfk s ASN 52 N -0.27 4.61 0.22 4.50 4.22 -0.89 -1.13 114.94 126.20 3cfk s ASN 52 Ca 0.04 0.57 -0.11 0.00 -2.14 0.00 0.00 52.86 51.22 3cfk s ASN 52 Cb -0.04 -1.12 0.31 0.00 1.28 0.00 0.00 41.25 41.67 3cfk s ASN 52 CO -0.00 -1.77 1.64 -0.65 -2.04 0.00 0.00 177.10 174.28 3cfk h PRO 52 N -0.82 0.07 -0.47 3.55 0.11 -1.82 -2.86 132.00 129.76 3cfk h PRO 52 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3cfk h PRO 52 Cb 1.32 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3cfk h PRO 52 CO 0.61 0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 178.05 3cfk n ASP 53 N -5.35 3.12 -1.24 -2.05 5.68 -1.26 -4.92 116.55 110.52 3cfk n ASP 53 Ca 0.10 -1.96 -0.09 0.00 -0.50 0.00 0.00 54.79 52.34 3cfk n ASP 53 Cb 0.37 -0.31 0.01 0.00 -1.14 0.00 0.00 41.12 40.06 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 1.23 -3.23 -0.03 -1.12 7.64 -1.08 -4.96 113.62 112.07 3cfk n SER 54 Ca 0.19 -0.09 0.01 0.00 1.01 0.00 0.00 58.87 59.99 3cfk n SER 54 Cb 0.52 -2.22 -0.09 0.00 -1.01 0.00 0.00 64.21 61.41 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 -1.96 1.21 -3.80 1.43 1.74 -1.26 -4.80 116.66 109.21 3cfk n ARG 55 Ca -0.05 -0.06 -0.37 0.00 -0.77 0.00 0.00 57.85 56.60 3cfk n ARG 55 Cb 0.55 -1.29 -0.13 0.00 -1.02 0.00 0.00 32.46 30.57 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 -2.58 3.65 -0.28 0.55 2.01 -1.26 -5.05 115.64 112.67 3cfk s THR 56 Ca -0.05 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.03 3cfk s THR 56 Cb 0.06 -2.95 0.08 0.00 0.01 0.00 0.00 72.50 69.70 3cfk s THR 56 CO 0.49 0.01 0.02 -0.63 -0.69 0.00 0.00 174.62 173.83 3cfk s ILE 57 N 1.42 1.42 -0.06 1.82 1.01 -1.26 -2.10 121.20 123.46 3cfk s ILE 57 Ca 0.00 -1.48 -0.06 0.00 0.00 0.00 0.00 60.65 59.12 3cfk s ILE 57 Cb -0.18 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 3cfk s ILE 57 CO 0.01 -0.40 0.19 0.20 0.00 0.00 0.00 174.94 174.94 3cfk s ASN 58 N 1.39 6.42 0.18 3.58 0.01 -0.57 -4.92 114.94 121.03 3cfk s ASN 58 Ca 0.03 0.46 0.06 0.00 -0.71 0.00 0.00 52.86 52.71 3cfk s ASN 58 Cb -0.18 -2.06 -0.05 0.00 0.41 0.00 0.00 41.25 39.37 3cfk s ASN 58 CO -0.13 0.33 -0.13 -0.31 -1.51 0.00 0.00 177.10 175.36 3cfk s TYR 59 N -1.18 1.52 0.12 2.20 2.02 -1.26 -0.11 117.35 120.66 3cfk s TYR 59 Ca 0.22 -0.65 -0.31 0.00 -0.37 0.00 0.00 57.07 55.96 3cfk s TYR 59 Cb -0.13 -0.73 -0.08 0.00 -0.40 0.00 0.00 41.96 40.62 3cfk s TYR 59 CO 0.11 0.24 1.46 1.41 -1.57 0.00 0.00 175.55 177.21 3cfk s MET 60 N -3.65 4.28 0.30 -0.62 1.75 0.11 -4.88 119.30 116.59 3cfk s MET 60 Ca 0.20 2.17 0.03 0.00 -1.25 0.00 0.00 55.69 56.84 3cfk s MET 60 Cb 0.00 -3.27 0.77 0.00 2.84 0.00 0.00 34.83 35.18 3cfk s MET 60 CO 0.04 -0.52 1.60 -1.35 -0.65 0.00 0.00 175.02 174.14 3cfk h PRO 61 N 6.99 0.07 -0.67 4.11 0.11 -1.95 0.15 132.00 140.79 3cfk h PRO 61 Ca -0.42 -0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.83 3cfk h PRO 61 Cb 1.21 -0.02 -0.11 0.00 0.11 0.00 0.00 31.00 32.18 3cfk h PRO 61 CO 0.89 0.04 -0.00 1.03 -0.21 0.00 0.00 178.00 179.75 3cfk h SER 62 N 0.07 -0.31 -0.69 -2.05 0.87 -1.99 -2.69 113.55 106.76 3cfk h SER 62 Ca 0.59 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 61.32 3cfk h SER 62 Cb 1.25 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 63.51 3cfk h SER 62 CO -0.81 -0.14 0.00 0.18 -0.53 0.00 0.00 176.83 175.53 3cfk n LEU 63 N -5.31 3.73 0.11 2.23 4.77 0.46 -4.58 117.00 118.41 3cfk n LEU 63 Ca 0.11 -1.87 -0.15 0.00 -0.03 0.00 0.00 56.01 54.07 3cfk n LEU 63 Cb 0.40 -0.47 -0.08 0.00 -2.33 0.00 0.00 43.42 40.94 3cfk n LEU 63 CO 0.08 0.91 0.55 0.50 -1.33 0.00 0.00 177.39 178.11 3cfk h LYS 64 N 4.01 -0.67 -3.00 3.23 3.64 -1.08 -3.01 116.57 119.70 3cfk h LYS 64 Ca 0.00 0.05 -0.77 0.00 -1.27 0.00 0.00 60.65 58.65 3cfk h LYS 64 Cb 0.95 0.15 -0.19 0.00 -0.41 0.00 0.00 32.23 32.73 3cfk h LYS 64 CO 0.01 -0.44 1.74 -0.40 -2.27 0.00 0.00 179.45 178.09 3cfk n ASP 65 N -5.48 6.39 0.00 4.20 5.68 -1.26 -3.50 116.55 122.58 3cfk n ASP 65 Ca -0.08 -3.25 0.00 0.00 -0.50 0.00 0.00 54.79 50.96 3cfk n ASP 65 Cb 0.40 -1.37 0.00 0.00 -1.14 0.00 0.00 41.12 39.01 3cfk n ASP 65 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 3cfk n LYS 66 N 2.31 0.00 -5.24 0.11 4.81 -1.24 -5.05 118.16 113.86 3cfk n LYS 66 Ca 0.43 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.56 3cfk n LYS 66 Cb 0.31 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.20 3cfk n LYS 66 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 3cfk s PHE 67 N -0.54 2.46 -0.16 5.64 0.40 -1.14 -1.64 117.98 123.01 3cfk s PHE 67 Ca 0.00 -0.72 0.02 0.00 -0.60 0.00 0.00 56.93 55.62 3cfk s PHE 67 Cb 0.00 -1.61 0.02 0.00 0.51 0.00 0.00 43.02 41.93 3cfk s PHE 67 CO 0.00 -0.22 -0.20 0.42 0.70 0.00 0.00 175.22 175.92 3cfk s ILE 68 N -0.14 2.00 -0.14 0.64 1.01 -0.47 -4.85 121.20 119.24 3cfk s ILE 68 Ca -0.04 -0.92 -0.08 0.00 0.00 0.00 0.00 60.65 59.61 3cfk s ILE 68 Cb -0.14 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 3cfk s ILE 68 CO 0.04 0.53 0.13 -0.63 0.00 0.00 0.00 174.94 175.01 3cfk s ILE 69 N 1.09 5.43 0.25 2.92 1.01 -1.26 -0.25 121.20 130.39 3cfk s ILE 69 Ca -0.00 0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.77 3cfk s ILE 69 Cb -0.14 -3.39 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 3cfk s ILE 69 CO -0.08 0.57 0.34 -0.94 0.00 0.00 0.00 174.94 174.83 3cfk s SER 70 N -0.63 0.25 0.03 3.58 1.04 -1.00 -5.02 113.70 111.96 3cfk s SER 70 Ca 0.13 -1.23 -0.12 0.00 0.48 0.00 0.00 55.95 55.21 3cfk s SER 70 Cb -0.12 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.54 3cfk s SER 70 CO 0.02 -1.06 0.25 0.00 0.98 0.00 0.00 173.24 173.43 3cfk s ARG 71 N -3.87 0.72 -0.37 4.02 1.70 -1.26 -0.32 118.95 119.57 3cfk s ARG 71 Ca 0.31 -0.52 0.01 0.00 -0.47 0.00 0.00 55.73 55.06 3cfk s ARG 71 Cb 0.02 0.31 0.11 0.00 -0.57 0.00 0.00 34.95 34.82 3cfk s ARG 71 CO 0.13 -0.22 0.14 0.34 -1.08 0.00 0.00 175.30 174.61 3cfk s ASP 72 N -1.95 4.06 0.53 -2.89 -1.08 0.39 -4.99 116.67 110.73 3cfk s ASP 72 Ca -0.07 -2.10 0.22 0.00 -0.52 0.00 0.00 52.55 50.08 3cfk s ASP 72 Cb -0.02 -1.09 1.44 0.00 -1.46 0.00 0.00 42.92 41.79 3cfk s ASP 72 CO -0.02 -0.35 2.14 0.78 0.52 0.00 0.00 175.17 178.24 3cfk h ASN 73 N 7.50 0.00 1.07 -0.34 2.35 -1.92 -1.29 115.58 122.96 3cfk h ASN 73 Ca -0.08 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.64 3cfk h ASN 73 Cb 0.98 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.35 3cfk h ASN 73 CO 0.49 0.06 -0.15 0.00 -1.65 0.00 0.00 177.43 176.18 3cfk h ALA 74 N 1.94 1.00 -0.47 -0.83 0.00 -1.95 -2.70 119.26 116.25 3cfk h ALA 74 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3cfk h ALA 74 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3cfk h ALA 74 CO 0.01 0.19 0.00 1.63 0.00 0.00 0.00 179.25 181.08 3cfk n LYS 75 N -3.27 3.04 -4.31 0.00 5.02 -0.53 -4.98 118.16 113.13 3cfk n LYS 75 Ca 0.01 -2.46 -0.32 0.00 -2.02 0.00 0.00 58.31 53.52 3cfk n LYS 75 Cb 0.42 -1.54 -0.09 0.00 -0.02 0.00 0.00 35.03 33.80 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 0.71 0.58 -4.09 4.39 3.02 -0.94 -4.74 115.26 114.20 3cfk n ASN 76 Ca 0.18 -1.25 -0.19 0.00 -0.03 0.00 0.00 54.58 53.29 3cfk n ASN 76 Cb 0.63 -1.72 -0.14 0.00 -0.61 0.00 0.00 39.78 37.94 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 -4.28 1.35 0.03 6.41 0.01 -0.98 -0.95 113.70 115.28 3cfk s SER 77 Ca 0.08 -0.34 0.07 0.00 1.31 0.00 0.00 55.95 57.07 3cfk s SER 77 Cb -0.05 -0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.05 3cfk s SER 77 CO 0.99 0.05 -0.20 -0.22 0.41 0.00 0.00 173.24 174.28 3cfk s LEU 78 N -0.77 2.51 0.09 2.44 2.96 0.10 -0.46 118.68 125.54 3cfk s LEU 78 Ca 0.01 -0.43 0.07 0.00 -0.22 0.00 0.00 54.13 53.56 3cfk s LEU 78 Cb -0.06 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 3cfk s LEU 78 CO 0.00 0.27 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.81 3cfk s TYR 79 N -0.86 1.55 -0.12 5.38 2.02 0.57 -0.53 117.35 125.34 3cfk s TYR 79 Ca 0.13 -0.43 -0.03 0.00 -0.37 0.00 0.00 57.07 56.38 3cfk s TYR 79 Cb -0.10 -0.86 0.04 0.00 -0.40 0.00 0.00 41.96 40.64 3cfk s TYR 79 CO 0.04 0.14 0.03 -1.17 -1.57 0.00 0.00 175.55 173.02 3cfk s LEU 80 N -1.80 0.68 -0.26 -1.29 2.96 -0.18 -2.37 118.68 116.43 3cfk s LEU 80 Ca 0.03 -0.39 -0.12 0.00 -0.22 0.00 0.00 54.13 53.43 3cfk s LEU 80 Cb -0.10 -0.42 -0.05 0.00 0.50 0.00 0.00 46.19 46.12 3cfk s LEU 80 CO 0.03 -0.26 0.23 -1.58 -1.32 0.00 0.00 176.35 173.45 3cfk s GLN 81 N 1.99 4.02 -0.13 1.98 0.74 0.65 -0.42 119.66 128.49 3cfk s GLN 81 Ca 0.03 -0.20 -0.05 0.00 0.05 0.00 0.00 55.36 55.19 3cfk s GLN 81 Cb -0.14 -3.61 -0.04 0.00 1.10 0.00 0.00 33.01 30.32 3cfk s GLN 81 CO -0.07 -0.11 0.05 -0.51 -0.55 0.00 0.00 175.29 174.11 3cfk s LEU 82 N 1.55 3.83 0.28 3.68 1.43 0.27 -1.37 118.68 128.35 3cfk s LEU 82 Ca 0.10 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.39 3cfk s LEU 82 Cb -0.15 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 3cfk s LEU 82 CO 0.08 0.30 0.15 -0.94 0.23 0.00 0.00 176.35 176.17 3cfk s SER 82 N -0.37 1.23 -1.37 2.29 1.04 -0.65 -0.19 113.70 115.68 3cfk s SER 82 Ca 0.09 -1.50 -0.03 0.00 0.48 0.00 0.00 55.95 54.99 3cfk s SER 82 Cb -0.12 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.34 3cfk s SER 82 CO 0.02 -0.85 0.46 0.54 0.98 0.00 0.00 173.24 174.38 3cfk n ARG 82 N -0.50 -2.98 -2.31 4.02 1.74 -1.23 -4.85 116.66 110.55 3cfk n ARG 82 Ca 0.01 0.40 -0.42 0.00 -0.77 0.00 0.00 57.85 57.07 3cfk n ARG 82 Cb 0.65 -4.43 -0.03 0.00 -1.02 0.00 0.00 32.46 27.63 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 -6.93 4.39 0.34 0.55 1.43 -0.97 -4.69 118.68 112.81 3cfk s LEU 82 Ca 0.06 2.21 0.06 0.00 -1.03 0.00 0.00 54.13 55.44 3cfk s LEU 82 Cb -0.02 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.54 3cfk s LEU 82 CO 0.89 -0.51 -0.01 -0.13 0.23 0.00 0.00 176.35 176.82 3cfk s ARG 83 N 0.61 1.74 0.49 1.70 0.52 -1.26 0.40 118.95 123.16 3cfk s ARG 83 Ca 0.59 -1.94 0.14 0.00 -0.52 0.00 0.00 55.73 53.99 3cfk s ARG 83 Cb -0.33 -1.30 1.17 0.00 0.52 0.00 0.00 34.95 35.01 3cfk s ARG 83 CO 0.32 -0.04 2.13 0.66 0.02 0.00 0.00 175.30 178.39 3cfk h SER 84 N 2.04 0.12 0.06 0.23 4.64 -1.97 0.68 113.55 119.35 3cfk h SER 84 Ca -0.42 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3cfk h SER 84 Cb 1.24 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3cfk h SER 84 CO 0.73 0.08 -0.00 -0.33 -0.87 0.00 0.00 176.83 176.44 3cfk h GLU 85 N 0.14 0.00 -0.00 4.77 5.08 -1.96 -1.13 114.58 121.48 3cfk h GLU 85 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3cfk h GLU 85 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3cfk h GLU 85 CO -0.01 0.00 -0.08 -0.25 -1.00 0.00 0.00 179.01 177.68 3cfk n ASP 86 N -3.23 0.14 -4.67 1.42 8.00 0.23 -4.83 116.55 113.61 3cfk n ASP 86 Ca -0.03 0.04 -0.42 0.00 0.71 0.00 0.00 54.79 55.09 3cfk n ASP 86 Cb 0.09 -0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 40.89 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 -2.78 6.57 0.03 -2.24 0.01 -0.43 -4.89 113.70 109.97 3cfk s SER 87 Ca 0.21 2.47 -0.29 0.00 1.31 0.00 0.00 55.95 59.65 3cfk s SER 87 Cb 0.19 -2.54 0.10 0.00 0.21 0.00 0.00 66.02 63.98 3cfk s SER 87 CO 0.52 -0.95 1.20 0.00 0.41 0.00 0.00 173.24 174.42 3cfk s ALA 88 N 3.61 -2.09 -0.06 1.44 0.00 -0.64 -4.51 121.76 119.52 3cfk s ALA 88 Ca 0.78 0.48 -0.24 0.00 0.00 0.00 0.00 51.96 52.98 3cfk s ALA 88 Cb -0.39 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 3cfk s ALA 88 CO 0.34 -1.06 0.72 -0.51 0.00 0.00 0.00 175.76 175.25 3cfk s LEU 89 N -3.05 4.32 -0.22 0.00 1.43 -0.76 -1.02 118.68 119.39 3cfk s LEU 89 Ca 0.15 1.22 -0.05 0.00 -1.03 0.00 0.00 54.13 54.42 3cfk s LEU 89 Cb 0.03 -3.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.11 3cfk s LEU 89 CO -0.02 -0.13 0.01 -0.31 0.23 0.00 0.00 176.35 176.13 3cfk s TYR 90 N 0.82 3.03 -0.14 0.29 1.51 -0.52 -1.22 117.35 121.12 3cfk s TYR 90 Ca 0.38 -0.54 -0.04 0.00 -1.01 0.00 0.00 57.07 55.87 3cfk s TYR 90 Cb -0.18 -2.13 -0.03 0.00 -0.11 0.00 0.00 41.96 39.51 3cfk s TYR 90 CO 0.19 -0.33 -0.03 0.71 -1.11 0.00 0.00 175.55 174.98 3cfk s TYR 91 N 1.25 3.06 -0.18 2.71 2.02 0.32 -1.67 117.35 124.86 3cfk s TYR 91 Ca 0.04 -0.18 -0.29 0.00 -0.37 0.00 0.00 57.07 56.26 3cfk s TYR 91 Cb -0.15 -1.93 0.00 0.00 -0.40 0.00 0.00 41.96 39.48 3cfk s TYR 91 CO 0.01 0.07 1.03 0.00 -1.57 0.00 0.00 175.55 175.09 3cfk s VAL 93 N 2.69 0.68 -0.04 0.00 1.01 -0.28 0.10 120.40 124.56 3cfk s VAL 93 Ca 0.46 -0.25 -0.21 0.00 0.00 0.00 0.00 61.98 61.98 3cfk s VAL 93 Cb -0.16 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 3cfk s VAL 93 CO 0.11 0.24 0.62 -0.60 0.00 0.00 0.00 175.10 175.47 3cfk s ARG 94 N 0.56 4.37 -0.30 2.72 3.52 -0.36 -0.37 118.95 129.08 3cfk s ARG 94 Ca -0.08 0.75 -0.10 0.00 -0.13 0.00 0.00 55.73 56.17 3cfk s ARG 94 Cb -0.12 -3.39 -0.02 0.00 -1.56 0.00 0.00 34.95 29.86 3cfk s ARG 94 CO 0.01 0.23 0.15 -1.17 -0.81 0.00 0.00 175.30 173.71 3cfk s LEU 95 N 0.28 4.03 -0.29 -0.88 2.96 -0.89 -1.88 118.68 122.03 3cfk s LEU 95 Ca 0.33 -0.39 -0.18 0.00 -0.22 0.00 0.00 54.13 53.66 3cfk s LEU 95 Cb -0.18 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 3cfk s LEU 95 CO 0.17 -0.15 0.53 -0.62 -1.32 0.00 0.00 176.35 174.95 3cfk s ASP 96 N 1.65 6.42 0.24 3.68 2.15 0.58 -3.89 116.67 127.50 3cfk s ASP 96 Ca 0.05 0.40 0.05 0.00 0.43 0.00 0.00 52.55 53.48 3cfk s ASP 96 Cb -0.17 -2.29 -0.03 0.00 -0.30 0.00 0.00 42.92 40.14 3cfk s ASP 96 CO 0.07 -0.35 0.34 0.12 -0.17 0.00 0.00 175.17 175.17 3cfk s PHE 97 N 2.37 3.39 -0.39 -5.34 5.36 -1.26 -1.36 117.98 120.75 3cfk s PHE 97 Ca 0.21 -0.04 -0.02 0.00 -0.96 0.00 0.00 56.93 56.12 3cfk s PHE 97 Cb -0.15 -1.55 0.21 0.00 -0.34 0.00 0.00 43.02 41.18 3cfk s PHE 97 CO 0.10 0.44 1.00 -3.47 -1.46 0.00 0.00 175.22 171.84 3cfk n ASP 98 N -1.38 -2.04 -0.33 6.13 2.03 -1.26 -4.92 116.55 114.77 3cfk n ASP 98 Ca -0.09 -1.61 0.03 0.00 0.52 0.00 0.00 54.79 53.65 3cfk n ASP 98 Cb 0.57 1.05 0.10 0.00 -0.72 0.00 0.00 41.12 42.12 3cfk n ASP 98 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3cfk n VAL 99 N 2.59 -0.41 0.06 5.18 0.31 -1.26 -1.62 118.33 123.19 3cfk n VAL 99 Ca 0.13 2.08 -0.11 0.00 -0.01 0.00 0.00 64.34 66.42 3cfk n VAL 99 Cb 0.63 -2.83 -0.05 0.00 -0.91 0.00 0.00 33.84 30.68 3cfk n VAL 99 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 3cfk h TYR 100 N 0.00 -0.68 -0.01 3.52 -1.99 -2.07 -2.31 116.97 113.44 3cfk h TYR 100 Ca 0.40 0.02 0.00 0.00 2.00 0.00 0.00 58.73 61.15 3cfk h TYR 100 Cb 0.62 0.30 0.00 0.00 2.00 0.00 0.00 36.73 39.65 3cfk h TYR 100 CO -0.72 -0.35 0.00 0.09 -0.00 0.00 0.00 178.16 177.18 3cfk n ASN 100 N -5.37 0.20 -2.82 3.88 3.02 -0.64 -5.24 115.26 108.28 3cfk n ASN 100 Ca -0.05 -1.18 -0.04 0.00 -0.03 0.00 0.00 54.58 53.28 3cfk n ASN 100 Cb 0.29 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 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 -0.79 -3.52 0.00 3.10 8.25 -0.87 -5.08 115.22 116.31 3cfk n HIS 100 Ca 0.21 1.52 0.00 0.00 -0.26 0.00 0.00 57.72 59.18 3cfk n HIS 100 Cb 0.13 -3.73 0.00 0.00 1.12 0.00 0.00 29.99 27.51 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 0.44 0.00 -3.82 4.41 4.02 -1.25 -5.05 117.16 115.90 3cfk n TYR 100 Ca 0.03 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.80 3cfk n TYR 100 Cb 0.20 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.39 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 -0.00 -0.84 -0.72 1.01 -0.47 -4.97 120.40 114.41 3cfk s VAL 100 Ca 0.00 0.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.79 3cfk s VAL 100 Cb 0.00 -0.18 0.10 0.00 0.00 0.00 0.00 36.38 36.30 3cfk s VAL 100 CO 0.00 0.01 1.11 -0.76 0.00 0.00 0.00 175.10 175.46 3cfk s LEU 100 N 0.17 4.58 -0.20 3.92 1.43 -1.26 -0.31 118.68 127.00 3cfk s LEU 100 Ca -0.01 -1.55 -0.02 0.00 -1.03 0.00 0.00 54.13 51.52 3cfk s LEU 100 Cb -0.02 -2.43 -0.21 0.00 0.03 0.00 0.00 46.19 43.57 3cfk s LEU 100 CO -0.00 -1.27 0.01 -0.90 0.23 0.00 0.00 176.35 174.41 3cfk n ASP 101 N 7.32 2.04 -4.34 2.29 5.75 -0.79 -4.90 116.55 123.92 3cfk n ASP 101 Ca 0.15 0.02 -0.32 0.00 -0.01 0.00 0.00 54.79 54.62 3cfk n ASP 101 Cb 0.48 -0.61 -0.15 0.00 -1.03 0.00 0.00 41.12 39.81 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 -2.53 2.66 -0.04 2.11 2.02 -1.25 -5.02 117.35 115.31 3cfk s TYR 102 Ca -0.30 -0.63 0.07 0.00 -0.37 0.00 0.00 57.07 55.84 3cfk s TYR 102 Cb 0.08 -1.72 -0.02 0.00 -0.40 0.00 0.00 41.96 39.90 3cfk s TYR 102 CO 0.66 -0.17 -0.25 -1.58 -1.57 0.00 0.00 175.55 172.64 3cfk s TRP 103 N 0.02 2.39 0.71 2.71 0.52 -1.26 -1.23 118.94 122.80 3cfk s TRP 103 Ca -0.06 -0.55 -0.14 0.00 0.02 0.00 0.00 56.10 55.37 3cfk s TRP 103 Cb -0.15 -1.55 0.03 0.00 -1.15 0.00 0.00 33.47 30.65 3cfk s TRP 103 CO 0.05 -0.11 1.12 0.20 0.02 0.00 0.00 176.95 178.23 3cfk s GLY 104 N -0.42 2.06 0.50 0.98 0.00 0.29 -4.82 107.32 105.91 3cfk s GLY 104 Ca 0.04 0.54 0.29 0.00 0.00 0.00 0.00 44.72 45.59 3cfk s GLY 104 CO 0.01 0.91 1.92 1.46 0.00 0.00 0.00 173.10 177.39 3cfk h GLN 105 N -0.36 0.00 0.00 2.90 4.20 -1.88 -3.42 115.11 116.55 3cfk h GLN 105 Ca -0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.25 3cfk h GLN 105 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 3cfk h GLN 105 CO 0.52 0.12 0.00 0.41 -0.67 0.00 0.00 178.83 179.21 3cfk n GLY 106 N 0.03 2.01 3.22 3.46 0.00 -1.26 -4.96 105.19 107.69 3cfk n GLY 106 Ca 0.00 -1.83 -0.28 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.72 1.69 0.13 2.61 -1.32 -0.67 -4.87 115.64 110.49 3cfk s THR 107 Ca 0.00 -0.89 -0.25 0.00 -1.21 0.00 0.00 61.69 59.34 3cfk s THR 107 Cb 0.00 -1.42 -0.07 0.00 -1.51 0.00 0.00 72.50 69.50 3cfk s THR 107 CO 0.00 0.48 0.75 -0.55 -2.21 0.00 0.00 174.62 173.09 3cfk s SER 108 N -0.32 7.31 -0.07 8.08 0.15 -1.26 -1.44 113.70 126.15 3cfk s SER 108 Ca 0.03 1.56 0.01 0.00 0.70 0.00 0.00 55.95 58.25 3cfk s SER 108 Cb -0.10 -2.48 0.02 0.00 -1.71 0.00 0.00 66.02 61.75 3cfk s SER 108 CO 0.01 0.17 -0.09 -0.69 1.20 0.00 0.00 173.24 173.84 3cfk s VAL 109 N -0.89 0.98 -0.10 4.45 1.01 -0.19 -0.58 120.40 125.07 3cfk s VAL 109 Ca 0.36 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.01 3cfk s VAL 109 Cb -0.22 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.22 3cfk s VAL 109 CO 0.25 0.33 -0.21 -0.89 0.00 0.00 0.00 175.10 174.58 3cfk s THR 110 N 1.00 1.86 -0.31 3.92 2.01 -0.92 -1.61 115.64 121.60 3cfk s THR 110 Ca -0.09 -0.89 -0.11 0.00 0.31 0.00 0.00 61.69 60.92 3cfk s THR 110 Cb -0.15 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.71 3cfk s THR 110 CO -0.00 0.51 0.18 -0.69 -0.69 0.00 0.00 174.62 173.93 3cfk s VAL 111 N 0.56 4.90 -0.27 3.82 1.01 -1.26 -1.02 120.40 128.15 3cfk s VAL 111 Ca -0.14 -0.22 -0.26 0.00 0.00 0.00 0.00 61.98 61.35 3cfk s VAL 111 Cb -0.17 -3.45 0.14 0.00 0.00 0.00 0.00 36.38 32.90 3cfk s VAL 111 CO 0.05 0.11 1.11 -0.55 0.00 0.00 0.00 175.10 175.81 3cfk s SER 112 N 1.67 -0.36 0.00 3.32 0.15 -0.75 -4.54 113.70 113.20 3cfk s SER 112 Ca 0.06 0.65 0.29 0.00 0.70 0.00 0.00 55.95 57.65 3cfk s SER 112 Cb -0.17 0.64 1.28 0.00 -1.71 0.00 0.00 66.02 66.06 3cfk s SER 112 CO 0.08 -0.15 1.88 -1.54 1.20 0.00 0.00 173.24 174.71 3cfk n SER 113 N 1.86 0.57 -4.76 5.45 3.41 -1.26 -4.30 113.62 114.59 3cfk n SER 113 Ca -0.11 -0.77 -0.36 0.00 -0.26 0.00 0.00 58.87 57.36 3cfk n SER 113 Cb 0.56 -0.04 0.03 0.00 -0.26 0.00 0.00 64.21 64.50 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 -2.34 2.63 0.38 7.33 0.00 -1.26 -5.03 121.76 123.47 3cfk s ALA 114 Ca 0.33 1.04 -0.00 0.00 0.00 0.00 0.00 51.96 53.32 3cfk s ALA 114 Cb 0.20 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 3cfk s ALA 114 CO 0.44 -1.12 0.60 -1.54 0.00 0.00 0.00 175.76 174.14 3cfk s SER 115 N -1.49 6.21 0.50 0.00 1.04 -1.26 -5.05 113.70 113.64 3cfk s SER 115 Ca 0.75 0.48 -0.22 0.00 0.48 0.00 0.00 55.95 57.44 3cfk s SER 115 Cb -0.31 -1.96 -0.06 0.00 0.10 0.00 0.00 66.02 63.78 3cfk s SER 115 CO 0.35 -0.40 1.25 -0.89 0.98 0.00 0.00 173.24 174.52 3cfk s THR 116 N -2.41 2.66 -0.06 2.02 2.01 -1.26 -4.82 115.64 113.78 3cfk s THR 116 Ca 0.42 0.49 -0.02 0.00 0.31 0.00 0.00 61.69 62.89 3cfk s THR 116 Cb -0.10 -3.24 0.04 0.00 0.01 0.00 0.00 72.50 69.21 3cfk s THR 116 CO 0.37 -0.01 0.13 -0.75 -0.69 0.00 0.00 174.62 173.67 3cfk s LYS 117 N -2.82 0.05 0.52 4.92 2.20 0.01 -4.93 119.74 119.69 3cfk s LYS 117 Ca 0.68 0.38 -0.18 0.00 -0.36 0.00 0.00 55.97 56.49 3cfk s LYS 117 Cb -0.33 -0.23 -0.07 0.00 -1.51 0.00 0.00 37.83 35.69 3cfk s LYS 117 CO 0.40 -0.20 1.02 0.20 -0.36 0.00 0.00 175.35 176.40 3cfk s GLY 118 N 1.44 2.26 0.45 5.54 0.00 -1.26 -1.18 107.32 114.57 3cfk s GLY 118 Ca -0.06 0.41 -0.16 0.00 0.00 0.00 0.00 44.72 44.91 3cfk s GLY 118 CO -0.05 0.71 0.90 2.56 0.00 0.00 0.00 173.10 177.21 3cfk s PRO 119 N -3.71 3.96 0.16 2.90 0.04 -1.26 -4.54 135.00 132.55 3cfk s PRO 119 Ca 0.63 0.83 -0.13 0.00 0.04 0.00 0.00 61.00 62.37 3cfk s PRO 119 Cb -0.14 -2.24 -0.07 0.00 0.04 0.00 0.00 34.50 32.09 3cfk s PRO 119 CO 0.28 -0.13 0.55 -1.12 0.04 0.00 0.00 177.00 176.62 3cfk s SER 120 N -2.86 6.78 -0.19 6.66 0.01 -0.25 -4.91 113.70 118.94 3cfk s SER 120 Ca 0.57 1.04 0.01 0.00 1.31 0.00 0.00 55.95 58.88 3cfk s SER 120 Cb -0.10 -2.27 0.03 0.00 0.21 0.00 0.00 66.02 63.89 3cfk s SER 120 CO 0.27 0.07 -0.18 -0.69 0.41 0.00 0.00 173.24 173.12 3cfk s VAL 121 N -1.53 2.05 -0.05 3.43 1.01 -1.26 -0.65 120.40 123.39 3cfk s VAL 121 Ca 0.40 -1.06 0.06 0.00 0.00 0.00 0.00 61.98 61.37 3cfk s VAL 121 Cb -0.14 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 3cfk s VAL 121 CO 0.19 0.42 -0.23 -0.36 0.00 0.00 0.00 175.10 175.12 3cfk s PHE 122 N 1.27 2.46 0.37 5.22 0.08 0.15 -4.94 117.98 122.59 3cfk s PHE 122 Ca 0.02 -0.58 -0.26 0.00 0.12 0.00 0.00 56.93 56.23 3cfk s PHE 122 Cb -0.14 -1.59 -0.09 0.00 -0.57 0.00 0.00 43.02 40.63 3cfk s PHE 122 CO -0.11 -0.13 1.16 -1.25 -0.10 0.00 0.00 175.22 174.79 3cfk s PRO 123 N -0.32 4.20 -0.72 0.24 0.04 -1.26 0.10 135.00 137.29 3cfk s PRO 123 Ca 0.01 1.84 -0.08 0.00 0.04 0.00 0.00 61.00 62.81 3cfk s PRO 123 Cb -0.13 -2.79 0.19 0.00 0.04 0.00 0.00 34.50 31.81 3cfk s PRO 123 CO 0.02 -0.19 0.59 -0.51 0.04 0.00 0.00 177.00 176.95 3cfk s LEU 124 N -2.25 5.89 0.22 -3.56 1.43 0.17 -4.79 118.68 115.79 3cfk s LEU 124 Ca 0.54 -2.81 -0.30 0.00 -1.03 0.00 0.00 54.13 50.53 3cfk s LEU 124 Cb -0.31 -2.01 -0.09 0.00 0.03 0.00 0.00 46.19 43.81 3cfk s LEU 124 CO 0.39 -0.45 1.36 0.00 0.23 0.00 0.00 176.35 177.88 3cfk s ALA 125 N -0.01 3.56 0.55 4.21 0.00 -1.26 -1.38 121.76 127.44 3cfk s ALA 125 Ca 0.18 1.20 -0.09 0.00 0.00 0.00 0.00 51.96 53.24 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 -0.62 0.93 -1.25 0.00 0.00 0.00 175.76 174.76 3cfk s PRO 126 N -0.28 3.62 -0.03 0.00 0.04 -1.25 -4.88 135.00 132.21 3cfk s PRO 126 Ca 0.57 0.56 0.02 0.00 0.04 0.00 0.00 61.00 62.19 3cfk s PRO 126 Cb -0.39 -2.21 0.01 0.00 0.04 0.00 0.00 34.50 31.96 3cfk s PRO 126 CO 0.41 -0.39 -0.09 0.45 0.04 0.00 0.00 177.00 177.42 3cfk s SER 127 N -4.01 1.26 0.55 6.66 0.15 -1.26 -2.05 113.70 115.00 3cfk s SER 127 Ca 0.52 -0.20 0.32 0.00 0.70 0.00 0.00 55.95 57.29 3cfk s SER 127 Cb -0.11 -0.41 1.48 0.00 -1.71 0.00 0.00 66.02 65.27 3cfk s SER 127 CO 0.48 0.05 1.87 -1.28 1.20 0.00 0.00 173.24 175.56 3cfk h SER 128 N 6.57 0.00 0.48 5.45 0.87 -1.97 -0.96 113.55 124.00 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 0.48 0.00 -0.31 0.29 -0.53 0.00 0.00 176.83 176.77 3cfk n LYS 129 N -4.16 0.32 -2.86 2.24 5.02 -1.26 -4.42 118.16 113.03 3cfk n LYS 129 Ca 0.18 -0.16 -0.30 0.00 -2.02 0.00 0.00 58.31 56.01 3cfk n LYS 129 Cb 0.95 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.44 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 -1.21 5.21 -4.84 4.39 7.64 -0.36 -5.05 113.62 119.41 3cfk n SER 130 Ca 0.09 -3.69 -0.31 0.00 1.01 0.00 0.00 58.87 55.97 3cfk n SER 130 Cb 0.33 -0.71 -0.05 0.00 -1.01 0.00 0.00 64.21 62.76 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 -4.46 4.91 -0.11 0.44 -4.23 -1.26 -4.64 115.64 106.30 3cfk s THR 133 Ca 0.47 -0.59 -0.09 0.00 -1.18 0.00 0.00 61.69 60.30 3cfk s THR 133 Cb 0.26 -3.38 0.04 0.00 1.34 0.00 0.00 72.50 70.76 3cfk s THR 133 CO -0.14 0.14 0.29 -0.55 -0.54 0.00 0.00 174.62 173.82 3cfk s SER 134 N -2.42 -0.31 -1.47 3.99 0.15 -0.42 -4.89 113.70 108.33 3cfk s SER 134 Ca 0.32 0.59 -0.08 0.00 0.70 0.00 0.00 55.95 57.48 3cfk s SER 134 Cb -0.13 0.55 0.05 0.00 -1.71 0.00 0.00 66.02 64.79 3cfk s SER 134 CO 0.24 -0.12 0.75 0.61 1.20 0.00 0.00 173.24 175.92 3cfk n GLY 135 N 3.38 -0.37 2.55 9.45 0.00 -1.26 -1.41 105.19 117.53 3cfk n GLY 135 Ca -0.17 0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.69 1.45 3.23 -0.02 0.00 -1.26 -4.98 105.19 101.92 3cfk n GLY 136 Ca -0.13 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.41 1.18 -0.03 2.61 -4.23 -0.50 -2.55 115.64 109.71 3cfk s THR 137 Ca 0.00 -1.86 0.02 0.00 -1.18 0.00 0.00 61.69 58.67 3cfk s THR 137 Cb 0.00 -1.64 -0.03 0.00 1.34 0.00 0.00 72.50 72.17 3cfk s THR 137 CO 0.00 -0.60 -0.07 0.00 -0.54 0.00 0.00 174.62 173.41 3cfk s ALA 138 N -2.75 2.99 -0.04 3.99 0.00 0.45 -1.30 121.76 125.09 3cfk s ALA 138 Ca 0.12 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.16 3cfk s ALA 138 Cb -0.01 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 3cfk s ALA 138 CO 0.01 0.59 -0.14 0.00 0.00 0.00 0.00 175.76 176.23 3cfk s ALA 139 N -0.90 2.68 0.10 0.00 0.00 -1.26 -1.01 121.76 121.37 3cfk s ALA 139 Ca 0.15 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 51.04 3cfk s ALA 139 Cb -0.11 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 3cfk s ALA 139 CO 0.05 0.56 0.17 -0.48 0.00 0.00 0.00 175.76 176.06 3cfk s LEU 140 N -0.80 1.48 0.00 0.00 0.05 -0.21 -3.97 118.68 115.23 3cfk s LEU 140 Ca 0.12 -0.77 -0.07 0.00 0.05 0.00 0.00 54.13 53.46 3cfk s LEU 140 Cb -0.11 0.92 0.02 0.00 -2.05 0.00 0.00 46.19 44.98 3cfk s LEU 140 CO 0.01 -0.75 0.32 0.61 -0.55 0.00 0.00 176.35 175.99 3cfk n GLY 141 N -0.07 0.88 3.01 -3.48 0.00 -0.48 0.37 105.19 105.42 3cfk n GLY 141 Ca -0.13 -0.95 -0.22 0.00 0.00 0.00 0.00 46.02 44.73 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 0.30 4.41 -0.49 0.00 2.96 0.12 -1.56 118.68 124.42 3cfk s LEU 143 Ca -0.06 -0.17 -0.15 0.00 -0.22 0.00 0.00 54.13 53.53 3cfk s LEU 143 Cb -0.10 -2.39 0.09 0.00 0.50 0.00 0.00 46.19 44.29 3cfk s LEU 143 CO 0.01 -0.36 0.42 -0.69 -1.32 0.00 0.00 176.35 174.41 3cfk s VAL 144 N 2.09 5.19 -0.00 1.68 1.01 0.76 -0.67 120.40 130.46 3cfk s VAL 144 Ca 0.13 -1.19 0.07 0.00 0.00 0.00 0.00 61.98 60.99 3cfk s VAL 144 Cb -0.16 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 3cfk s VAL 144 CO 0.12 -0.65 -0.23 -0.75 0.00 0.00 0.00 175.10 173.59 3cfk s LYS 145 N 1.62 1.76 -0.70 2.72 2.20 0.17 -1.00 119.74 126.52 3cfk s LYS 145 Ca 0.04 -0.86 -0.04 0.00 -0.36 0.00 0.00 55.97 54.75 3cfk s LYS 145 Cb -0.26 -1.75 -0.05 0.00 -1.51 0.00 0.00 37.83 34.26 3cfk s LYS 145 CO 0.05 0.47 0.62 -0.25 -0.36 0.00 0.00 175.35 175.88 3cfk n ASP 146 N 2.35 -5.02 -4.43 1.43 8.00 -0.62 -1.09 116.55 117.16 3cfk n ASP 146 Ca -0.16 -0.47 -0.22 0.00 0.71 0.00 0.00 54.79 54.65 3cfk n ASP 146 Cb 0.52 -3.65 -0.10 0.00 -0.02 0.00 0.00 41.12 37.88 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 -3.26 2.11 -0.27 1.24 1.13 -0.65 -4.29 117.35 113.36 3cfk s TYR 147 Ca 0.30 -0.41 -0.23 0.00 -1.41 0.00 0.00 57.07 55.32 3cfk s TYR 147 Cb -0.04 -0.94 0.07 0.00 -1.10 0.00 0.00 41.96 39.95 3cfk s TYR 147 CO 0.49 0.60 0.72 0.12 -2.51 0.00 0.00 175.55 174.97 3cfk s PHE 148 N -2.66 -0.86 0.34 -3.49 5.36 -0.32 -0.48 117.98 115.87 3cfk s PHE 148 Ca 0.28 1.97 -0.01 0.00 -0.96 0.00 0.00 56.93 58.20 3cfk s PHE 148 Cb -0.03 0.37 0.07 0.00 -0.34 0.00 0.00 43.02 43.09 3cfk s PHE 148 CO 0.13 -0.42 0.46 -0.35 -1.46 0.00 0.00 175.22 173.58 3cfk n PRO 149 N 3.12 0.14 -0.99 10.12 -0.04 -1.26 -0.81 135.00 145.28 3cfk n PRO 149 Ca -0.16 -1.12 -0.31 0.00 -0.04 0.00 0.00 63.50 61.87 3cfk n PRO 149 Cb 0.56 -0.35 0.13 0.00 -0.04 0.00 0.00 33.50 33.80 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 -3.70 1.65 0.45 0.54 0.41 -1.26 -4.75 118.70 112.04 3cfk s GLU 150 Ca 0.29 1.35 0.08 0.00 -0.41 0.00 0.00 54.97 56.28 3cfk s GLU 150 Cb -0.01 -1.81 0.01 0.00 -1.78 0.00 0.00 34.13 30.54 3cfk s GLU 150 CO 0.20 -2.13 0.53 -1.25 -0.49 0.00 0.00 175.26 172.12 3cfk s PRO 151 N -4.78 2.61 0.05 0.39 0.04 -1.26 -4.97 135.00 127.08 3cfk s PRO 151 Ca 0.64 -1.45 0.07 0.00 0.04 0.00 0.00 61.00 60.30 3cfk s PRO 151 Cb -0.20 -2.58 -0.03 0.00 0.04 0.00 0.00 34.50 31.73 3cfk s PRO 151 CO 0.57 -0.37 -0.18 0.14 0.04 0.00 0.00 177.00 177.20 3cfk s VAL 152 N -2.47 2.78 -0.10 -0.36 -7.23 -1.26 -4.53 120.40 107.24 3cfk s VAL 152 Ca 0.53 -1.23 -0.03 0.00 -1.81 0.00 0.00 61.98 59.44 3cfk s VAL 152 Cb -0.07 -2.18 -0.03 0.00 0.56 0.00 0.00 36.38 34.66 3cfk s VAL 152 CO 0.32 0.31 0.04 0.42 -0.31 0.00 0.00 175.10 175.87 3cfk s THR 153 N -0.95 4.62 -0.02 5.32 -4.23 -0.84 -4.99 115.64 114.54 3cfk s THR 153 Ca 0.15 -0.13 0.05 0.00 -1.18 0.00 0.00 61.69 60.58 3cfk s THR 153 Cb -0.10 -2.96 -0.01 0.00 1.34 0.00 0.00 72.50 70.76 3cfk s THR 153 CO 0.06 0.61 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.89 3cfk s VAL 154 N -0.89 1.32 0.23 2.29 1.01 -1.26 -1.88 120.40 121.22 3cfk s VAL 154 Ca 0.13 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 3cfk s VAL 154 Cb -0.12 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 3cfk s VAL 154 CO 0.03 0.38 0.32 -0.94 0.00 0.00 0.00 175.10 174.88 3cfk s SER 156 N -0.26 0.06 -0.12 3.32 1.04 -0.60 -4.98 113.70 112.15 3cfk s SER 156 Ca 0.04 -1.16 0.03 0.00 0.48 0.00 0.00 55.95 55.34 3cfk s SER 156 Cb -0.08 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.54 3cfk s SER 156 CO 0.00 -1.01 -0.22 0.26 0.98 0.00 0.00 173.24 173.26 3cfk s TRP 157 N -4.05 2.53 -1.22 5.02 0.52 -1.26 -0.20 118.94 120.27 3cfk s TRP 157 Ca 0.30 -1.18 -0.07 0.00 0.02 0.00 0.00 56.10 55.17 3cfk s TRP 157 Cb 0.03 -1.72 -0.01 0.00 -1.15 0.00 0.00 33.47 30.62 3cfk s TRP 157 CO 0.11 -0.52 0.75 0.09 0.02 0.00 0.00 176.95 177.39 3cfk n ASN 162 N 3.89 -3.11 -3.15 2.95 3.02 0.69 -1.99 115.26 117.56 3cfk n ASN 162 Ca -0.20 -0.87 -0.21 0.00 -0.03 0.00 0.00 54.58 53.28 3cfk n ASN 162 Cb 0.52 -3.99 -0.00 0.00 -0.61 0.00 0.00 39.78 35.69 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 -2.97 -3.87 0.00 6.41 7.64 -1.26 -1.19 113.62 118.38 3cfk n SER 163 Ca -0.21 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.41 3cfk n SER 163 Cb 0.65 -3.21 0.00 0.00 -1.01 0.00 0.00 64.21 60.63 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 -1.12 1.48 0.23 0.23 0.00 -0.84 -4.91 105.19 100.27 3cfk n GLY 164 Ca -0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 1.50 -2.98 4.61 0.00 -1.09 -3.41 119.26 117.89 3cfk h ALA 165 Ca 0.00 -0.17 -0.69 0.00 0.00 0.00 0.00 54.91 54.05 3cfk h ALA 165 Cb 0.00 -0.03 -0.26 0.00 0.00 0.00 0.00 17.79 17.50 3cfk h ALA 165 CO 0.00 0.23 -0.58 -1.17 0.00 0.00 0.00 179.25 177.73 3cfk s LEU 166 N -8.06 4.26 0.00 0.00 2.96 -0.89 -4.91 118.68 112.04 3cfk s LEU 166 Ca -0.03 -0.89 0.00 0.00 -0.22 0.00 0.00 54.13 52.99 3cfk s LEU 166 Cb 0.15 -1.93 0.00 0.00 0.50 0.00 0.00 46.19 44.90 3cfk s LEU 166 CO 0.66 -0.28 0.00 0.35 -1.32 0.00 0.00 176.35 175.75 3cfk n THR 167 N 4.90 0.00 -1.68 3.68 -2.24 -1.26 -4.31 114.28 113.37 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 0.47 -0.42 -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 -2.00 2.90 0.00 3.42 7.64 -1.26 -2.53 113.62 121.79 3cfk n SER 168 Ca 0.00 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.01 3cfk n SER 168 Cb 0.33 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 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 2.40 1.46 3.74 0.23 0.00 -1.26 -4.79 105.19 106.97 3cfk n GLY 169 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.59 4.61 -0.13 1.61 1.01 -1.05 -2.12 120.40 120.73 3cfk s VAL 171 Ca 0.00 1.80 -0.02 0.00 0.00 0.00 0.00 61.98 63.76 3cfk s VAL 171 Cb 0.00 -4.19 0.04 0.00 0.00 0.00 0.00 36.38 32.23 3cfk s VAL 171 CO 0.00 0.36 0.00 -1.00 0.00 0.00 0.00 175.10 174.46 3cfk s HIS 172 N -0.15 1.01 -0.28 5.22 3.76 -0.28 -5.00 115.29 119.57 3cfk s HIS 172 Ca 0.41 -0.60 -0.13 0.00 -0.15 0.00 0.00 55.06 54.59 3cfk s HIS 172 Cb -0.22 -0.99 -0.04 0.00 1.11 0.00 0.00 32.58 32.44 3cfk s HIS 172 CO 0.26 -0.49 0.30 0.99 -0.85 0.00 0.00 174.74 174.94 3cfk s THR 173 N 1.86 5.23 0.45 1.30 2.01 -1.26 -0.98 115.64 124.25 3cfk s THR 173 Ca 0.02 0.37 -0.21 0.00 0.31 0.00 0.00 61.69 62.19 3cfk s THR 173 Cb -0.14 -3.63 -0.10 0.00 0.01 0.00 0.00 72.50 68.63 3cfk s THR 173 CO -0.07 0.18 0.98 -0.36 -0.69 0.00 0.00 174.62 174.66 3cfk s PHE 174 N 1.94 3.22 0.26 4.92 0.40 -0.59 -5.01 117.98 123.12 3cfk s PHE 174 Ca 0.11 1.60 -0.30 0.00 -0.60 0.00 0.00 56.93 57.74 3cfk s PHE 174 Cb -0.16 -2.91 -0.14 0.00 0.51 0.00 0.00 43.02 40.32 3cfk s PHE 174 CO 0.10 -0.32 1.21 -2.30 0.70 0.00 0.00 175.22 174.62 3cfk n PRO 175 N -0.75 1.65 -1.86 0.24 -0.02 -1.26 -4.59 135.00 128.41 3cfk n PRO 175 Ca 0.08 0.58 -0.36 0.00 -2.02 0.00 0.00 63.50 61.78 3cfk n PRO 175 Cb 0.54 -2.10 0.05 0.00 -0.02 0.00 0.00 33.50 31.96 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 -0.58 2.45 0.04 3.55 0.00 -1.26 -4.83 121.76 121.13 3cfk s ALA 176 Ca 0.64 1.07 0.07 0.00 0.00 0.00 0.00 51.96 53.75 3cfk s ALA 176 Cb -0.70 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 18.90 3cfk s ALA 176 CO 0.56 -1.38 -0.19 0.08 0.00 0.00 0.00 175.76 174.82 3cfk s VAL 177 N -1.56 2.71 -0.34 0.00 1.01 0.52 -4.95 120.40 117.79 3cfk s VAL 177 Ca 0.79 -1.19 -0.15 0.00 0.00 0.00 0.00 61.98 61.43 3cfk s VAL 177 Cb -0.33 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 3cfk s VAL 177 CO 0.37 0.36 0.37 -0.22 0.00 0.00 0.00 175.10 175.98 3cfk s LEU 178 N -1.36 4.39 0.68 3.92 2.96 -1.26 -1.14 118.68 126.87 3cfk s LEU 178 Ca 0.14 -0.17 -0.10 0.00 -0.22 0.00 0.00 54.13 53.78 3cfk s LEU 178 Cb -0.10 -2.36 0.01 0.00 0.50 0.00 0.00 46.19 44.23 3cfk s LEU 178 CO 0.04 -0.33 1.06 -1.10 -1.32 0.00 0.00 176.35 174.70 3cfk s GLN 179 N 2.05 2.91 0.56 1.98 -0.21 -0.12 -4.94 119.66 121.89 3cfk s GLN 179 Ca 0.12 0.39 0.37 0.00 0.02 0.00 0.00 55.36 56.26 3cfk s GLN 179 Cb -0.16 -2.07 1.81 0.00 1.00 0.00 0.00 33.01 33.59 3cfk s GLN 179 CO 0.12 -0.94 2.12 0.66 -2.12 0.00 0.00 175.29 175.12 3cfk h SER 180 N -0.54 0.00 0.70 5.90 4.64 -1.98 -0.83 113.55 121.44 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 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3cfk h SER 180 CO 0.63 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.36 3cfk h SER 182 N 0.00 0.00 0.00 4.97 4.64 -2.03 -3.46 113.55 117.67 3cfk h SER 182 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cfk h SER 182 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3cfk h SER 182 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3cfk n GLY 183 N -0.16 0.70 3.80 -0.77 0.00 -0.32 -5.07 105.19 103.37 3cfk n GLY 183 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 3.84 0.35 0.99 1.43 -1.26 -4.87 118.68 119.16 3cfk s LEU 184 Ca 0.00 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 3cfk s LEU 184 Cb 0.00 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 3cfk s LEU 184 CO 0.00 0.09 0.57 -0.31 0.23 0.00 0.00 176.35 176.94 3cfk s TYR 185 N -1.66 3.50 -0.10 0.29 2.02 0.37 -0.94 117.35 120.84 3cfk s TYR 185 Ca 0.31 0.46 -0.16 0.00 -0.37 0.00 0.00 57.07 57.31 3cfk s TYR 185 Cb -0.11 -1.98 0.04 0.00 -0.40 0.00 0.00 41.96 39.51 3cfk s TYR 185 CO 0.23 0.09 0.41 0.45 -1.57 0.00 0.00 175.55 175.16 3cfk s SER 186 N -3.85 -0.37 0.10 2.29 0.15 -0.30 -1.59 113.70 110.13 3cfk s SER 186 Ca 0.42 0.58 -0.14 0.00 0.70 0.00 0.00 55.95 57.50 3cfk s SER 186 Cb -0.10 0.64 0.03 0.00 -1.71 0.00 0.00 66.02 64.88 3cfk s SER 186 CO 0.36 -0.29 0.34 -1.48 1.20 0.00 0.00 173.24 173.37 3cfk s LEU 187 N -0.44 0.68 0.11 3.45 0.05 -0.17 -0.36 118.68 122.01 3cfk s LEU 187 Ca -0.06 -0.36 0.06 0.00 0.05 0.00 0.00 54.13 53.83 3cfk s LEU 187 Cb -0.03 1.60 -0.04 0.00 -2.05 0.00 0.00 46.19 45.67 3cfk s LEU 187 CO 0.03 -0.79 -0.16 -0.94 -0.55 0.00 0.00 176.35 173.94 3cfk s SER 188 N -2.70 2.11 -0.03 1.48 1.04 -1.26 -0.17 113.70 114.17 3cfk s SER 188 Ca 0.02 -0.75 0.03 0.00 0.48 0.00 0.00 55.95 55.73 3cfk s SER 188 Cb 0.02 -0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.06 3cfk s SER 188 CO -0.10 -0.08 -0.10 -0.55 0.98 0.00 0.00 173.24 173.39 3cfk s SER 189 N -2.20 1.39 0.13 7.02 0.15 -0.60 -1.54 113.70 118.05 3cfk s SER 189 Ca 0.07 -0.22 0.06 0.00 0.70 0.00 0.00 55.95 56.55 3cfk s SER 189 Cb -0.07 -0.44 -0.04 0.00 -1.71 0.00 0.00 66.02 63.76 3cfk s SER 189 CO 0.03 0.06 -0.13 0.68 1.20 0.00 0.00 173.24 175.09 3cfk s VAL 190 N 0.30 1.31 -0.03 4.45 -7.23 -0.16 -0.66 120.40 118.38 3cfk s VAL 190 Ca -0.06 -1.83 0.04 0.00 -1.81 0.00 0.00 61.98 58.32 3cfk s VAL 190 Cb -0.10 -1.63 -0.00 0.00 0.56 0.00 0.00 36.38 35.20 3cfk s VAL 190 CO 0.01 -0.51 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.45 3cfk s VAL 191 N -2.49 1.25 -0.04 1.32 1.01 0.16 -1.13 120.40 120.48 3cfk s VAL 191 Ca 0.12 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.48 3cfk s VAL 191 Cb -0.03 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 3cfk s VAL 191 CO 0.03 0.37 -0.05 0.42 0.00 0.00 0.00 175.10 175.86 3cfk s THR 192 N 0.01 3.81 0.04 3.92 -4.23 -0.90 -1.04 115.64 117.25 3cfk s THR 192 Ca -0.02 -0.54 0.01 0.00 -1.18 0.00 0.00 61.69 59.96 3cfk s THR 192 Cb -0.10 -2.61 -0.02 0.00 1.34 0.00 0.00 72.50 71.11 3cfk s THR 192 CO 0.01 0.52 -0.06 0.68 -0.54 0.00 0.00 174.62 175.23 3cfk s VAL 193 N -0.90 0.41 0.22 2.29 -7.23 -0.18 -4.56 120.40 110.46 3cfk s VAL 193 Ca 0.14 -1.09 -0.32 0.00 -1.81 0.00 0.00 61.98 58.90 3cfk s VAL 193 Cb -0.11 -0.59 -0.13 0.00 0.56 0.00 0.00 36.38 36.11 3cfk s VAL 193 CO 0.04 -0.46 1.49 -2.65 -0.31 0.00 0.00 175.10 173.21 3cfk n PRO 194 N 1.39 2.18 -0.25 4.82 -0.02 -1.26 -0.41 135.00 141.44 3cfk n PRO 194 Ca -0.22 0.78 -0.04 0.00 -2.02 0.00 0.00 63.50 61.99 3cfk n PRO 194 Cb 0.55 -2.49 0.01 0.00 -0.02 0.00 0.00 33.50 31.55 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 4.88 -1.25 0.20 2.55 0.02 -1.77 0.29 113.55 118.47 3cfk h SER 195 Ca -0.45 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3cfk h SER 195 Cb 1.26 0.63 0.00 0.00 0.14 0.00 0.00 62.40 64.43 3cfk h SER 195 CO 0.81 -0.30 0.00 -1.20 -1.14 0.00 0.00 176.83 175.00 3cfk n SER 196 N -5.44 0.52 -0.56 3.07 7.64 -1.26 -1.58 113.62 116.00 3cfk n SER 196 Ca 0.06 0.71 0.12 0.00 1.01 0.00 0.00 58.87 60.76 3cfk n SER 196 Cb 0.37 -0.79 0.42 0.00 -1.01 0.00 0.00 64.21 63.20 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 -2.16 1.71 0.21 6.43 3.41 0.09 -4.65 113.62 118.65 3cfk n SER 197 Ca -0.00 -1.65 -0.15 0.00 -0.26 0.00 0.00 58.87 56.81 3cfk n SER 197 Cb 0.08 -0.07 -0.07 0.00 -0.26 0.00 0.00 64.21 63.89 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 2.42 -0.88 0.00 1.04 5.85 -1.39 -0.91 115.31 121.45 3cfk h LEU 198 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3cfk h LEU 198 Cb 0.52 0.30 0.00 0.00 0.37 0.00 0.00 40.66 41.85 3cfk h LEU 198 CO 0.00 -0.46 0.00 0.61 -0.34 0.00 0.00 178.44 178.25 3cfk n GLY 199 N -1.44 -0.59 0.17 3.75 0.00 -1.26 -3.87 105.19 101.95 3cfk n GLY 199 Ca -0.09 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.86 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 1.03 -3.57 2.61 2.02 -1.47 -3.46 112.91 110.06 3cfk h THR 200 Ca 0.00 -1.67 -0.06 0.00 0.77 0.00 0.00 66.41 65.46 3cfk h THR 200 Cb 0.03 1.98 -0.11 0.00 -1.74 0.00 0.00 68.15 68.31 3cfk h THR 200 CO 0.00 0.43 -0.13 0.00 0.37 0.00 0.00 175.52 176.19 3cfk s GLN 203 N -3.61 1.31 0.17 6.66 -2.07 -1.25 -5.16 119.66 115.70 3cfk s GLN 203 Ca -0.00 -1.03 -0.20 0.00 -1.82 0.00 0.00 55.36 52.30 3cfk s GLN 203 Cb 0.11 0.46 -0.08 0.00 -1.09 0.00 0.00 33.01 32.41 3cfk s GLN 203 CO 0.71 -0.53 0.68 0.99 -1.32 0.00 0.00 175.29 175.82 3cfk s THR 205 N -3.93 4.59 -0.18 3.63 2.01 -1.26 -5.04 115.64 115.46 3cfk s THR 205 Ca 0.14 1.32 0.01 0.00 0.31 0.00 0.00 61.69 63.46 3cfk s THR 205 Cb 0.01 -3.92 0.03 0.00 0.01 0.00 0.00 72.50 68.63 3cfk s THR 205 CO -0.00 0.36 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.83 3cfk s TYR 206 N -1.34 2.48 -0.12 4.92 2.02 -1.26 -4.96 117.35 119.09 3cfk s TYR 206 Ca 0.38 -1.53 0.01 0.00 -0.37 0.00 0.00 57.07 55.55 3cfk s TYR 206 Cb -0.19 -1.71 0.02 0.00 -0.40 0.00 0.00 41.96 39.68 3cfk s TYR 206 CO 0.22 -0.74 -0.14 0.42 -1.57 0.00 0.00 175.55 173.74 3cfk s ILE 207 N 1.38 1.44 -0.12 2.71 1.01 -1.26 -1.04 121.20 125.31 3cfk s ILE 207 Ca 0.02 -0.58 -0.18 0.00 0.00 0.00 0.00 60.65 59.91 3cfk s ILE 207 Cb -0.15 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 3cfk s ILE 207 CO -0.10 0.43 0.45 0.00 0.00 0.00 0.00 174.94 175.73 3cfk s ASN 209 N 0.59 5.67 -0.16 0.00 -0.87 0.73 -1.61 114.94 119.28 3cfk s ASN 209 Ca 0.25 -0.04 0.00 0.00 -1.57 0.00 0.00 52.86 51.50 3cfk s ASN 209 Cb -0.15 -2.02 0.03 0.00 -0.02 0.00 0.00 41.25 39.08 3cfk s ASN 209 CO 0.09 0.02 -0.14 -0.69 -2.57 0.00 0.00 177.10 173.81 3cfk s VAL 210 N 1.34 1.63 -0.08 1.60 1.01 0.51 -1.56 120.40 124.85 3cfk s VAL 210 Ca 0.06 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.34 3cfk s VAL 210 Cb -0.15 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 3cfk s VAL 210 CO 0.06 0.42 -0.17 0.21 0.00 0.00 0.00 175.10 175.61 3cfk s ASN 211 N 1.45 3.78 -0.38 3.32 2.47 -0.79 -0.95 114.94 123.84 3cfk s ASN 211 Ca 0.04 -0.32 0.01 0.00 0.42 0.00 0.00 52.86 53.01 3cfk s ASN 211 Cb -0.13 -1.07 0.12 0.00 -1.45 0.00 0.00 41.25 38.72 3cfk s ASN 211 CO -0.11 0.27 0.18 -2.28 -3.72 0.00 0.00 177.10 171.44 3cfk s HIS 212 N -0.26 1.73 0.21 0.43 5.65 0.43 -1.98 115.29 121.50 3cfk s HIS 212 Ca 0.01 -2.08 -0.09 0.00 0.25 0.00 0.00 55.06 53.14 3cfk s HIS 212 Cb -0.13 -1.71 0.24 0.00 -1.18 0.00 0.00 32.58 29.81 3cfk s HIS 212 CO 0.03 -0.82 1.80 0.87 -0.65 0.00 0.00 174.74 175.97 3cfk h LYS 213 N 7.25 0.65 -0.16 2.88 1.57 -1.82 -1.97 116.57 124.97 3cfk h LYS 213 Ca -0.05 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3cfk h LYS 213 Cb 0.96 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 3cfk h LYS 213 CO 0.45 0.43 0.15 -1.35 -0.57 0.00 0.00 179.45 178.56 3cfk h PRO 214 N 0.67 0.00 -0.23 3.15 0.11 -1.92 -0.91 132.00 132.86 3cfk h PRO 214 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 3cfk h PRO 214 Cb 0.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.31 3cfk h PRO 214 CO -0.19 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.47 3cfk n SER 215 N -3.99 2.76 -3.93 -2.05 3.41 -1.03 -4.96 113.62 103.83 3cfk n SER 215 Ca 0.01 -2.15 -0.31 0.00 -0.26 0.00 0.00 58.87 56.16 3cfk n SER 215 Cb 0.27 -0.21 -0.00 0.00 -0.26 0.00 0.00 64.21 64.01 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 0.07 -4.07 -4.62 4.04 3.02 -0.35 -4.88 115.26 108.46 3cfk n ASN 216 Ca 0.10 -0.79 -0.39 0.00 -0.03 0.00 0.00 54.58 53.47 3cfk n ASN 216 Cb 0.44 -3.30 -0.09 0.00 -0.61 0.00 0.00 39.78 36.22 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 -3.22 5.21 -0.09 3.41 2.01 -0.93 -4.98 115.64 117.05 3cfk s THR 217 Ca 0.65 0.52 0.04 0.00 0.31 0.00 0.00 61.69 63.21 3cfk s THR 217 Cb -0.34 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.50 3cfk s THR 217 CO 0.80 0.19 -0.21 -0.54 -0.69 0.00 0.00 174.62 174.17 3cfk s LYS 218 N 1.86 2.75 -0.02 4.92 1.02 -1.26 -0.43 119.74 128.58 3cfk s LYS 218 Ca 0.14 -0.77 0.01 0.00 0.02 0.00 0.00 55.97 55.36 3cfk s LYS 218 Cb -0.15 -2.10 0.02 0.00 -0.52 0.00 0.00 37.83 35.07 3cfk s LYS 218 CO 0.09 0.14 -0.01 0.08 -0.92 0.00 0.00 175.35 174.73 3cfk s VAL 219 N 0.43 0.21 -0.26 3.17 1.01 -0.13 -5.00 120.40 119.83 3cfk s VAL 219 Ca -0.18 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 3cfk s VAL 219 Cb -0.17 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 35.96 3cfk s VAL 219 CO 0.07 0.13 -0.02 -1.81 0.00 0.00 0.00 175.10 173.47 3cfk s ASP 220 N 0.72 4.55 -0.22 3.32 1.01 -1.26 -0.37 116.67 124.42 3cfk s ASP 220 Ca -0.07 -0.80 -0.02 0.00 0.71 0.00 0.00 52.55 52.37 3cfk s ASP 220 Cb -0.10 -1.73 0.01 0.00 1.01 0.00 0.00 42.92 42.11 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 3.08 0.05 8.23 2.47 -0.64 -4.97 119.74 129.34 3cfk s LYS 221 Ca 0.01 -0.81 -0.30 0.00 -1.56 0.00 0.00 55.97 53.31 3cfk s LYS 221 Cb -0.17 -2.91 -0.05 0.00 -1.46 0.00 0.00 37.83 33.24 3cfk s LYS 221 CO -0.02 -0.28 1.06 0.21 0.16 0.00 0.00 175.35 176.48 3cfk s LYS 222 N 1.38 4.53 -0.57 4.03 2.20 -1.26 -1.93 119.74 128.12 3cfk s LYS 222 Ca 0.03 1.57 -0.07 0.00 -0.36 0.00 0.00 55.97 57.15 3cfk s LYS 222 Cb -0.15 -3.40 0.15 0.00 -1.51 0.00 0.00 37.83 32.92 3cfk s LYS 222 CO -0.06 -0.09 0.42 0.08 -0.36 0.00 0.00 175.35 175.35 3cfk s VAL 223 N 0.84 4.11 0.29 4.02 1.01 -0.21 -4.94 120.40 125.52 3cfk s VAL 223 Ca 0.54 -2.35 -0.22 0.00 0.00 0.00 0.00 61.98 59.96 3cfk s VAL 223 Cb -0.25 -3.68 -0.09 0.00 0.00 0.00 0.00 36.38 32.36 3cfk s VAL 223 CO 0.29 -0.84 0.83 -1.61 0.00 0.00 0.00 175.10 173.77 3cfk s GLU 226 N 0.65 4.34 0.68 2.72 2.02 -1.26 -4.51 118.70 123.33 3cfk s GLU 226 Ca 0.12 1.04 -0.17 0.00 0.02 0.00 0.00 54.97 55.98 3cfk s GLU 226 Cb -0.21 -2.71 -0.02 0.00 0.10 0.00 0.00 34.13 31.28 3cfk s GLU 226 CO -0.03 0.27 0.88 -2.30 0.02 0.00 0.00 175.26 174.10 3cfk n PRO 227 N 0.37 0.60 0.00 0.39 -0.02 -1.26 -4.32 135.00 130.76 3cfk n PRO 227 Ca 0.01 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3cfk n PRO 227 Cb 0.51 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3cfk n PRO 227 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11