#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kfk n MET 12 N 0.00 0.20 -4.08 -3.83 2.81 -1.26 -4.96 117.12 105.99 3kfk n MET 12 Ca 0.00 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.68 3kfk n MET 12 Cb 0.00 -0.95 -0.17 0.00 -0.71 0.00 0.00 33.22 31.39 3kfk n MET 12 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3kfk s LYS 13 N -1.90 0.83 -0.15 0.03 1.02 -1.11 -5.04 119.74 113.42 3kfk s LYS 13 Ca 0.00 -0.08 -0.11 0.00 0.02 0.00 0.00 55.97 55.80 3kfk s LYS 13 Cb 0.00 -0.91 0.05 0.00 -0.52 0.00 0.00 37.83 36.45 3kfk s LYS 13 CO 0.00 -0.13 0.39 0.50 -0.92 0.00 0.00 175.35 175.19 3kfk s ARG 14 N 1.14 0.42 -0.03 1.68 3.52 -1.26 -2.47 118.95 121.95 3kfk s ARG 14 Ca -0.07 0.64 0.03 0.00 -0.13 0.00 0.00 55.73 56.19 3kfk s ARG 14 Cb -0.14 0.10 -0.03 0.00 -1.56 0.00 0.00 34.95 33.33 3kfk s ARG 14 CO -0.01 -0.10 -0.10 0.71 -0.81 0.00 0.00 175.30 174.98 3kfk s TYR 15 N 0.74 2.81 -0.32 5.12 2.02 -1.26 -5.03 117.35 121.44 3kfk s TYR 15 Ca -0.04 -0.08 -0.11 0.00 -0.37 0.00 0.00 57.07 56.47 3kfk s TYR 15 Cb -0.05 -1.64 -0.02 0.00 -0.40 0.00 0.00 41.96 39.85 3kfk s TYR 15 CO -0.05 0.29 0.20 -1.64 -1.57 0.00 0.00 175.55 172.77 3kfk s MET 16 N -0.99 3.46 1.87 -0.62 -1.94 -1.26 -4.15 119.30 115.67 3kfk s MET 16 Ca 0.13 -0.65 0.00 0.00 -1.71 0.00 0.00 55.69 53.46 3kfk s MET 16 Cb -0.11 -3.69 0.00 0.00 2.01 0.00 0.00 34.83 33.04 3kfk s MET 16 CO 0.03 -0.41 0.00 0.41 -0.01 0.00 0.00 175.02 175.04 3kfk n GLY 17 N 5.05 0.35 0.17 -0.03 0.00 -1.12 -1.46 105.19 108.15 3kfk n GLY 17 Ca -0.13 0.58 0.01 0.00 0.00 0.00 0.00 46.02 46.49 3kfk n GLY 17 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kfk h ARG 18 N 0.00 0.00 0.00 1.61 3.08 -1.93 -1.45 114.38 115.69 3kfk h ARG 18 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kfk h ARG 18 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3kfk h ARG 18 CO 0.00 0.44 -0.01 -0.44 -1.07 0.00 0.00 179.97 178.89 3kfk h ASP 19 N 0.00 0.00 0.11 7.04 3.32 -1.60 -3.02 116.42 122.27 3kfk h ASP 19 Ca -0.00 -0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.68 3kfk h ASP 19 Cb 0.78 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.29 3kfk h ASP 19 CO 0.06 0.00 -2.16 0.00 -1.72 0.00 0.00 179.24 175.42 3kfk n ALA 20 N -1.80 1.17 -0.15 3.45 0.00 -0.96 -3.53 120.51 118.70 3kfk n ALA 20 Ca 0.05 -0.83 -0.11 0.00 0.00 0.00 0.00 53.44 52.55 3kfk n ALA 20 Cb 0.44 -0.47 -0.01 0.00 0.00 0.00 0.00 19.45 19.40 3kfk n ALA 20 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3kfk h GLN 21 N 0.04 0.86 0.00 0.00 4.20 -1.37 -2.68 115.11 116.16 3kfk h GLN 21 Ca -0.47 -0.35 -0.12 0.00 0.06 0.00 0.00 58.65 57.76 3kfk h GLN 21 Cb 2.00 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.73 3kfk h GLN 21 CO 0.02 0.99 -0.58 -0.09 -0.67 0.00 0.00 178.83 178.51 3kfk h ARG 22 N 0.69 0.00 -0.20 1.46 2.43 -1.73 -2.52 114.38 114.51 3kfk h ARG 22 Ca 0.10 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.13 3kfk h ARG 22 Cb 0.70 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 3kfk h ARG 22 CO 0.05 0.58 -0.46 1.98 -1.51 0.00 0.00 179.97 180.61 3kfk h MET 23 N 0.00 0.51 0.12 0.20 4.05 -1.58 -2.30 114.93 115.93 3kfk h MET 23 Ca -0.01 -0.28 -0.27 0.00 -0.28 0.00 0.00 59.70 58.86 3kfk h MET 23 Cb 1.11 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.93 3kfk h MET 23 CO 0.08 0.87 -1.25 -0.91 0.23 0.00 0.00 176.91 175.93 3kfk h ASN 24 N 0.41 0.38 -0.28 1.39 4.21 -1.43 -3.05 115.58 117.22 3kfk h ASN 24 Ca 0.03 -0.42 -0.16 0.00 1.21 0.00 0.00 56.30 56.96 3kfk h ASN 24 Cb 0.97 -0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 38.04 3kfk h ASN 24 CO 0.09 1.33 -0.45 0.40 -1.29 0.00 0.00 177.43 177.50 3kfk h ILE 25 N 0.07 1.29 -0.31 2.81 2.04 -1.49 -2.94 117.51 118.98 3kfk h ILE 25 Ca -0.13 -1.64 -0.08 0.00 1.00 0.00 0.00 64.86 64.00 3kfk h ILE 25 Cb 1.96 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 39.68 3kfk h ILE 25 CO 0.19 0.53 -0.15 0.25 0.00 0.00 0.00 178.15 178.97 3kfk h LEU 26 N 0.55 0.54 -0.87 1.44 6.46 -1.53 -2.17 115.31 119.74 3kfk h LEU 26 Ca 0.02 -0.15 -0.12 0.00 -0.12 0.00 0.00 57.88 57.51 3kfk h LEU 26 Cb 1.05 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.82 3kfk h LEU 26 CO 0.10 0.72 -0.52 0.00 -0.62 0.00 0.00 178.44 178.12 3kfk h ALA 27 N 1.34 1.05 0.04 1.25 0.00 -1.53 -1.86 119.26 119.55 3kfk h ALA 27 Ca 0.09 -0.48 -0.22 0.00 0.00 0.00 0.00 54.91 54.29 3kfk h ALA 27 Cb 0.55 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3kfk h ALA 27 CO 0.04 0.66 -1.03 0.78 0.00 0.00 0.00 179.25 179.70 3kfk h GLY 28 N 1.48 0.16 1.68 0.00 0.00 -1.33 -3.31 103.07 101.74 3kfk h GLY 28 Ca -0.00 -0.35 -0.22 0.00 0.00 0.00 0.00 47.33 46.76 3kfk h GLY 28 CO 0.07 0.31 -0.98 3.21 0.00 0.00 0.00 176.54 179.16 3kfk h ARG 29 N 0.05 0.28 -0.04 4.80 3.08 -1.31 -3.12 114.38 118.12 3kfk h ARG 29 Ca -0.06 -0.33 -0.11 0.00 0.07 0.00 0.00 59.98 59.55 3kfk h ARG 29 Cb 1.74 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.88 3kfk h ARG 29 CO 0.15 1.06 -0.47 0.97 -1.07 0.00 0.00 179.97 180.61 3kfk h ILE 30 N 0.14 1.34 0.00 2.04 2.10 -1.45 -2.34 117.51 119.34 3kfk h ILE 30 Ca -0.07 -1.64 0.00 0.00 1.08 0.00 0.00 64.86 64.22 3kfk h ILE 30 Cb 1.63 1.84 0.00 0.00 -1.09 0.00 0.00 36.82 39.20 3kfk h ILE 30 CO 0.16 0.48 -0.57 0.16 -1.08 0.00 0.00 178.15 177.29 3kfk h ILE 31 N 0.08 0.00 -0.02 2.19 3.07 -1.67 -3.30 117.51 117.86 3kfk h ILE 31 Ca 0.00 -0.79 -0.21 0.00 1.55 0.00 0.00 64.86 65.42 3kfk h ILE 31 Cb 0.86 1.47 -0.00 0.00 -0.27 0.00 0.00 36.82 38.88 3kfk h ILE 31 CO 0.07 0.00 -0.86 0.00 -1.05 0.00 0.00 178.15 176.30 3kfk h ALA 32 N 2.21 0.47 0.00 0.16 0.00 -1.40 -3.15 119.26 117.56 3kfk h ALA 32 Ca 0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 3kfk h ALA 32 Cb 0.89 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3kfk h ALA 32 CO 0.00 0.82 -0.01 0.93 0.00 0.00 0.00 179.25 180.99 3kfk h GLU 33 N 0.21 0.00 -0.18 0.00 5.08 -1.53 -2.40 114.58 115.76 3kfk h GLU 33 Ca -0.06 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 3kfk h GLU 33 Cb 1.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.71 3kfk h GLU 33 CO 0.14 0.01 -0.37 1.15 -1.00 0.00 0.00 179.01 178.95 3kfk h THR 34 N 0.00 1.29 -0.43 1.13 2.02 -1.62 -3.14 112.91 112.16 3kfk h THR 34 Ca -0.00 -1.46 0.00 0.00 0.77 0.00 0.00 66.41 65.72 3kfk h THR 34 Cb 0.69 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 3kfk h THR 34 CO 0.00 0.45 0.00 1.33 0.37 0.00 0.00 175.52 177.67 3kfk n VAL 35 N -4.05 1.02 0.16 3.16 0.24 -1.17 -4.59 118.33 113.11 3kfk n VAL 35 Ca -0.01 -1.01 0.05 0.00 -2.04 0.00 0.00 64.34 61.32 3kfk n VAL 35 Cb 0.47 0.49 0.16 0.00 -1.47 0.00 0.00 33.84 33.48 3kfk n VAL 35 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3kfk h ARG 36 N 2.51 0.00 0.00 7.34 2.43 -1.38 -3.20 114.38 122.08 3kfk h ARG 36 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3kfk h ARG 36 Cb 0.80 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 3kfk h ARG 36 CO 0.00 0.42 -0.49 -1.13 -1.51 0.00 0.00 179.97 177.26 3kfk n SER 37 N -3.30 0.63 0.21 -3.80 3.41 -1.26 -3.96 113.62 105.54 3kfk n SER 37 Ca 0.01 0.12 0.09 0.00 -0.26 0.00 0.00 58.87 58.84 3kfk n SER 37 Cb 0.64 0.03 0.27 0.00 -0.26 0.00 0.00 64.21 64.89 3kfk n SER 37 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3kfk h THR 38 N 0.00 0.39 -3.67 6.66 1.35 -1.71 0.02 112.91 115.96 3kfk h THR 38 Ca 0.00 -1.32 -0.52 0.00 -0.55 0.00 0.00 66.41 64.02 3kfk h THR 38 Cb 0.68 2.00 0.03 0.00 -1.73 0.00 0.00 68.15 69.13 3kfk h THR 38 CO 0.00 0.20 0.57 -0.22 -0.25 0.00 0.00 175.52 175.82 3kfk s LEU 39 N -6.43 4.47 0.00 3.87 0.20 -1.25 -4.10 118.68 115.44 3kfk s LEU 39 Ca 0.04 2.39 0.00 0.00 0.69 0.00 0.00 54.13 57.24 3kfk s LEU 39 Cb 0.08 -3.62 0.00 0.00 -0.43 0.00 0.00 46.19 42.21 3kfk s LEU 39 CO 0.67 -0.36 0.00 0.61 -0.29 0.00 0.00 176.35 176.97 3kfk n GLY 40 N 1.55 2.43 0.31 7.98 0.00 -1.26 -4.20 105.19 111.99 3kfk n GLY 40 Ca 0.02 -1.85 0.09 0.00 0.00 0.00 0.00 46.02 44.28 3kfk n GLY 40 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kfk h PRO 41 N 0.00 0.26 -1.40 1.61 0.11 -1.90 -0.59 132.00 130.09 3kfk h PRO 41 Ca 0.00 -0.02 -0.70 0.00 0.11 0.00 0.00 66.00 65.39 3kfk h PRO 41 Cb 0.00 -0.06 -0.30 0.00 0.11 0.00 0.00 31.00 30.75 3kfk h PRO 41 CO 0.00 0.17 0.77 1.63 -0.21 0.00 0.00 178.00 180.36 3kfk n LYS 42 N -4.49 2.81 -2.48 1.05 5.02 -1.26 -4.95 118.16 113.85 3kfk n LYS 42 Ca 0.03 -3.49 -0.25 0.00 -2.02 0.00 0.00 58.31 52.58 3kfk n LYS 42 Cb 0.20 -2.28 0.04 0.00 -0.02 0.00 0.00 35.03 32.96 3kfk n LYS 42 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3kfk s GLY 43 N -1.73 1.65 0.20 0.72 0.00 -0.23 -4.57 107.32 103.36 3kfk s GLY 43 Ca 0.58 -0.89 0.04 0.00 0.00 0.00 0.00 44.72 44.45 3kfk s GLY 43 CO -0.17 -0.60 0.33 1.06 0.00 0.00 0.00 173.10 173.71 3kfk s MET 44 N -4.95 3.43 0.29 2.90 1.00 -0.01 -4.94 119.30 117.02 3kfk s MET 44 Ca 0.55 -0.70 0.07 0.00 0.00 0.00 0.00 55.69 55.61 3kfk s MET 44 Cb -0.10 -2.92 -0.03 0.00 0.00 0.00 0.00 34.83 31.78 3kfk s MET 44 CO 0.43 0.47 0.28 -0.51 0.00 0.00 0.00 175.02 175.69 3kfk s ASP 45 N -3.68 5.62 -0.04 3.03 1.11 -1.26 -4.13 116.67 117.31 3kfk s ASP 45 Ca 0.34 -0.27 0.05 0.00 0.18 0.00 0.00 52.55 52.84 3kfk s ASP 45 Cb -0.10 -1.31 -0.00 0.00 1.07 0.00 0.00 42.92 42.58 3kfk s ASP 45 CO 0.29 -0.19 -0.18 -0.54 1.18 0.00 0.00 175.17 175.73 3kfk s LYS 46 N -3.95 1.85 -0.20 8.23 -0.14 -0.72 -4.99 119.74 119.82 3kfk s LYS 46 Ca 0.37 -0.64 -0.05 0.00 -1.36 0.00 0.00 55.97 54.29 3kfk s LYS 46 Cb -0.08 -1.61 -0.02 0.00 -1.68 0.00 0.00 37.83 34.44 3kfk s LYS 46 CO 0.27 0.26 -0.00 1.41 -0.76 0.00 0.00 175.35 176.53 3kfk s MET 47 N 0.00 3.61 -0.21 1.68 -2.45 -1.26 -1.71 119.30 118.95 3kfk s MET 47 Ca -0.03 -0.53 -0.02 0.00 -1.25 0.00 0.00 55.69 53.86 3kfk s MET 47 Cb -0.12 -3.08 0.01 0.00 1.25 0.00 0.00 34.83 32.89 3kfk s MET 47 CO 0.02 0.00 -0.09 -0.51 1.05 0.00 0.00 175.02 175.50 3kfk s LEU 48 N 1.02 2.75 -0.32 4.11 1.02 -1.11 -5.04 118.68 121.11 3kfk s LEU 48 Ca 0.02 -0.54 -0.02 0.00 0.02 0.00 0.00 54.13 53.60 3kfk s LEU 48 Cb -0.14 -1.66 0.06 0.00 0.02 0.00 0.00 46.19 44.46 3kfk s LEU 48 CO 0.02 -0.03 0.03 -0.69 0.02 0.00 0.00 176.35 175.69 3kfk s VAL 49 N 1.40 3.08 0.00 -1.59 1.01 -1.26 -3.80 120.40 119.24 3kfk s VAL 49 Ca 0.05 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 60.58 3kfk s VAL 49 Cb -0.14 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.42 3kfk s VAL 49 CO -0.06 -0.18 0.00 -0.90 0.00 0.00 0.00 175.10 173.96 3kfk n ASP 50 N 4.63 0.00 -0.05 3.32 5.75 -1.26 -4.95 116.55 124.00 3kfk n ASP 50 Ca -0.12 0.00 -0.08 0.00 -0.01 0.00 0.00 54.79 54.59 3kfk n ASP 50 Cb 0.43 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.62 3kfk n ASP 50 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 3kfk h ASP 51 N 0.00 0.70 1.33 -1.12 3.04 -1.97 -3.18 116.42 115.22 3kfk h ASP 51 Ca 0.00 -0.28 -0.01 0.00 -3.24 0.00 0.00 57.03 53.50 3kfk h ASP 51 Cb 0.00 -0.19 -0.00 0.00 -1.04 0.00 0.00 39.33 38.10 3kfk h ASP 51 CO 0.00 0.97 -0.04 -0.07 -2.04 0.00 0.00 179.24 178.06 3kfk h LEU 52 N 0.57 0.00 0.00 0.15 3.38 -2.03 -3.46 115.31 113.92 3kfk h LEU 52 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3kfk h LEU 52 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3kfk h LEU 52 CO 0.07 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.25 3kfk n GLY 53 N 0.41 0.73 3.72 0.83 0.00 -1.20 -5.05 105.19 104.63 3kfk n GLY 53 Ca 0.02 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3kfk n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kfk s ASP 54 N -2.00 7.01 -0.12 1.61 1.01 -1.26 -4.92 116.67 117.99 3kfk s ASP 54 Ca 0.00 2.12 -0.04 0.00 0.71 0.00 0.00 52.55 55.34 3kfk s ASP 54 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 3kfk s ASP 54 CO 0.00 -0.51 0.04 0.54 0.21 0.00 0.00 175.17 175.45 3kfk s VAL 55 N 0.95 4.64 -0.20 -1.27 0.11 -1.26 -4.06 120.40 119.31 3kfk s VAL 55 Ca 0.60 -0.11 -0.11 0.00 -2.93 0.00 0.00 61.98 59.42 3kfk s VAL 55 Cb -0.32 -3.01 0.07 0.00 -1.53 0.00 0.00 36.38 31.59 3kfk s VAL 55 CO 0.30 0.57 0.49 0.54 -3.33 0.00 0.00 175.10 173.67 3kfk s VAL 56 N -0.52 -0.02 -0.18 2.04 0.11 -1.25 -5.06 120.40 115.52 3kfk s VAL 56 Ca 0.10 0.07 -0.03 0.00 -2.93 0.00 0.00 61.98 59.18 3kfk s VAL 56 Cb -0.12 -0.73 -0.02 0.00 -1.53 0.00 0.00 36.38 33.99 3kfk s VAL 56 CO 0.02 0.03 -0.05 -0.69 -3.33 0.00 0.00 175.10 171.08 3kfk s VAL 57 N 1.47 3.58 -0.03 2.04 1.01 -1.26 -2.74 120.40 124.47 3kfk s VAL 57 Ca -0.10 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 3kfk s VAL 57 Cb -0.07 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.73 3kfk s VAL 57 CO -0.15 0.46 0.20 0.28 0.00 0.00 0.00 175.10 175.89 3kfk s THR 58 N 0.91 0.05 -0.14 3.92 -1.32 -0.69 -4.96 115.64 113.41 3kfk s THR 58 Ca -0.01 -0.44 0.15 0.00 -1.21 0.00 0.00 61.69 60.19 3kfk s THR 58 Cb -0.15 -0.43 -0.24 0.00 -1.51 0.00 0.00 72.50 70.17 3kfk s THR 58 CO 0.01 -0.24 0.30 -3.20 -2.21 0.00 0.00 174.62 169.28 3kfk n ASN 59 N 1.87 0.42 -4.68 8.08 2.85 -1.26 -1.76 115.26 120.78 3kfk n ASN 59 Ca -0.19 0.16 -0.49 0.00 -0.11 0.00 0.00 54.58 53.94 3kfk n ASN 59 Cb 0.56 0.52 -0.05 0.00 1.24 0.00 0.00 39.78 42.06 3kfk n ASN 59 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 3kfk n ASP 60 N -2.89 3.27 0.15 1.20 2.03 -1.26 -4.89 116.55 114.15 3kfk n ASP 60 Ca -0.27 1.00 0.03 0.00 0.52 0.00 0.00 54.79 56.07 3kfk n ASP 60 Cb 1.11 -1.35 0.42 0.00 -0.72 0.00 0.00 41.12 40.58 3kfk n ASP 60 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 3kfk h GLY 61 N 8.61 0.19 1.85 0.27 0.00 -1.93 -3.10 103.07 108.96 3kfk h GLY 61 Ca -0.48 -0.11 -0.23 0.00 0.00 0.00 0.00 47.33 46.51 3kfk h GLY 61 CO 0.94 0.11 -1.04 -0.24 0.00 0.00 0.00 176.54 176.31 3kfk h VAL 62 N 0.17 1.60 0.00 4.60 3.04 -1.90 -3.24 116.25 120.52 3kfk h VAL 62 Ca 0.03 -3.13 -0.06 0.00 -1.01 0.00 0.00 66.70 62.53 3kfk h VAL 62 Cb 0.36 2.79 -0.01 0.00 -2.01 0.00 0.00 31.29 32.42 3kfk h VAL 62 CO 0.02 0.90 -0.29 0.71 -1.01 0.00 0.00 177.57 177.91 3kfk h THR 63 N 0.04 0.63 -0.00 3.17 1.35 -1.94 -3.01 112.91 113.16 3kfk h THR 63 Ca -0.05 -1.38 -0.00 0.00 -0.55 0.00 0.00 66.41 64.42 3kfk h THR 63 Cb 1.77 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 70.11 3kfk h THR 63 CO 0.15 0.28 -0.00 0.40 -0.25 0.00 0.00 175.52 176.10 3kfk h ILE 64 N 0.00 1.52 0.00 6.82 2.04 -1.61 -3.30 117.51 122.98 3kfk h ILE 64 Ca -0.00 -1.52 -0.05 0.00 1.00 0.00 0.00 64.86 64.29 3kfk h ILE 64 Cb 0.90 2.55 -0.01 0.00 -0.74 0.00 0.00 36.82 39.52 3kfk h ILE 64 CO 0.04 0.39 -0.24 -0.07 0.00 0.00 0.00 178.15 178.27 3kfk h LEU 65 N -0.64 0.00 0.15 1.44 3.38 -1.58 -3.01 115.31 115.04 3kfk h LEU 65 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 3kfk h LEU 65 Cb 0.65 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.42 3kfk h LEU 65 CO 0.00 0.24 -1.02 0.03 0.09 0.00 0.00 178.44 177.78 3kfk h ARG 66 N 0.00 0.43 -0.01 1.13 3.08 -1.65 -3.38 114.38 113.98 3kfk h ARG 66 Ca -0.00 -0.66 0.00 0.00 0.07 0.00 0.00 59.98 59.39 3kfk h ARG 66 Cb 0.63 0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.92 3kfk h ARG 66 CO 0.03 1.30 -0.50 0.39 -1.07 0.00 0.00 179.97 180.12 3kfk n GLU 67 N -3.99 1.12 -2.98 0.04 1.02 -1.23 -4.95 120.64 109.68 3kfk n GLU 67 Ca -0.14 -0.92 -0.26 0.00 -0.02 0.00 0.00 57.16 55.82 3kfk n GLU 67 Cb 0.90 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.83 3kfk n GLU 67 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kfk s MET 68 N -2.51 3.48 -0.60 3.49 0.23 -1.14 -4.96 119.30 117.29 3kfk s MET 68 Ca 0.18 -0.08 -0.28 0.00 -1.03 0.00 0.00 55.69 54.49 3kfk s MET 68 Cb 0.18 -2.51 0.01 0.00 -1.53 0.00 0.00 34.83 30.98 3kfk s MET 68 CO 0.59 -0.06 1.41 -1.12 -2.03 0.00 0.00 175.02 173.81 3kfk s SER 69 N -4.08 6.08 -0.10 -1.18 0.01 -1.26 -4.98 113.70 108.18 3kfk s SER 69 Ca 0.44 0.14 0.03 0.00 1.31 0.00 0.00 55.95 57.87 3kfk s SER 69 Cb -0.10 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.59 3kfk s SER 69 CO 0.41 -1.78 -0.19 -0.69 0.41 0.00 0.00 173.24 171.40 3kfk s VAL 70 N 6.19 1.70 0.00 3.43 1.01 -1.26 -5.03 120.40 126.45 3kfk s VAL 70 Ca 0.50 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3kfk s VAL 70 Cb -0.10 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.77 3kfk s VAL 70 CO 0.23 0.48 0.00 -0.62 0.00 0.00 0.00 175.10 175.19 3kfk n GLU 71 N 3.79 3.09 -2.27 2.72 -0.58 -1.26 -4.98 120.64 121.15 3kfk n GLU 71 Ca -0.20 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.12 3kfk n GLU 71 Cb 0.52 -0.64 -0.03 0.00 -0.57 0.00 0.00 31.44 30.72 3kfk n GLU 71 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3kfk s HIS 72 N -1.10 3.32 0.29 -0.32 2.46 -1.26 -4.94 115.29 113.74 3kfk s HIS 72 Ca 0.00 1.09 0.01 0.00 0.47 0.00 0.00 55.06 56.64 3kfk s HIS 72 Cb 0.00 -3.58 0.54 0.00 -0.13 0.00 0.00 32.58 29.41 3kfk s HIS 72 CO 0.00 -1.94 1.85 -1.35 -2.47 0.00 0.00 174.74 170.83 3kfk h PRO 73 N 6.75 0.99 0.00 2.88 0.11 -2.00 -2.13 132.00 138.60 3kfk h PRO 73 Ca -0.42 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 3kfk h PRO 73 Cb 1.21 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 3kfk h PRO 73 CO 0.84 0.65 -0.64 0.00 -0.21 0.00 0.00 178.00 178.64 3kfk h ALA 74 N 1.53 0.83 -0.00 -0.75 0.00 -1.92 -3.23 119.26 115.71 3kfk h ALA 74 Ca 0.48 -0.58 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 3kfk h ALA 74 Cb 0.43 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3kfk h ALA 74 CO -0.24 0.80 -0.82 0.00 0.00 0.00 0.00 179.25 179.00 3kfk h ALA 75 N 1.36 0.62 0.00 0.00 0.00 -1.64 -3.25 119.26 116.36 3kfk h ALA 75 Ca -0.01 -0.70 -0.06 0.00 0.00 0.00 0.00 54.91 54.14 3kfk h ALA 75 Cb 1.22 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3kfk h ALA 75 CO 0.08 0.93 -0.30 0.87 0.00 0.00 0.00 179.25 180.83 3kfk h LYS 76 N 0.07 0.00 0.00 0.00 1.57 -1.45 -2.91 116.57 113.84 3kfk h LYS 76 Ca -0.03 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 3kfk h LYS 76 Cb 1.42 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.72 3kfk h LYS 76 CO 0.12 0.30 -0.32 0.52 -0.57 0.00 0.00 179.45 179.50 3kfk h MET 77 N 0.00 0.00 0.00 3.15 2.86 -1.63 -3.09 114.93 116.22 3kfk h MET 77 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kfk h MET 77 Cb 0.69 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.35 3kfk h MET 77 CO 0.04 0.32 -0.32 -0.11 1.06 0.00 0.00 176.91 177.90 3kfk n LEU 78 N -3.37 0.38 -0.40 1.22 7.94 -1.10 -3.31 117.00 118.36 3kfk n LEU 78 Ca 0.01 0.23 0.03 0.00 -1.11 0.00 0.00 56.01 55.17 3kfk n LEU 78 Cb 0.53 -0.33 0.10 0.00 0.53 0.00 0.00 43.42 44.25 3kfk n LEU 78 CO 0.36 0.04 0.58 -0.38 -1.11 0.00 0.00 177.39 176.88 3kfk n ILE 79 N -1.63 0.29 0.39 1.96 5.41 -1.17 -3.17 119.36 121.44 3kfk n ILE 79 Ca 0.06 -0.29 0.10 0.00 1.00 0.00 0.00 62.75 63.62 3kfk n ILE 79 Cb 0.36 0.14 -0.15 0.00 -0.71 0.00 0.00 39.64 39.28 3kfk n ILE 79 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3kfk n GLU 80 N 0.13 0.44 -0.02 0.38 -0.58 -1.21 -3.77 120.64 116.03 3kfk n GLU 80 Ca 0.07 -0.12 -0.13 0.00 -0.42 0.00 0.00 57.16 56.57 3kfk n GLU 80 Cb 0.18 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.46 3kfk n GLU 80 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3kfk h VAL 81 N 0.00 1.38 -0.00 2.62 2.07 -1.75 -2.65 116.25 117.91 3kfk h VAL 81 Ca 0.00 -1.55 -0.12 0.00 0.82 0.00 0.00 66.70 65.85 3kfk h VAL 81 Cb 0.78 2.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 3kfk h VAL 81 CO 0.00 0.38 -0.58 0.00 0.02 0.00 0.00 177.57 177.39 3kfk h ALA 82 N 0.13 1.05 -0.11 1.67 0.00 -1.79 -1.56 119.26 118.65 3kfk h ALA 82 Ca -0.00 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.29 3kfk h ALA 82 Cb 0.66 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3kfk h ALA 82 CO 0.01 0.72 -0.36 -0.22 0.00 0.00 0.00 179.25 179.40 3kfk h LYS 83 N 0.01 0.22 -0.02 0.00 3.64 -1.65 -1.36 116.57 117.40 3kfk h LYS 83 Ca -0.01 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3kfk h LYS 83 Cb 1.02 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 3kfk h LYS 83 CO 0.08 0.55 -0.12 0.25 -2.27 0.00 0.00 179.45 177.94 3kfk n THR 84 N -4.07 0.00 0.03 1.00 -2.24 -1.00 -3.21 114.28 104.78 3kfk n THR 84 Ca -0.01 -0.26 -0.22 0.00 -2.27 0.00 0.00 64.05 61.29 3kfk n THR 84 Cb 0.43 0.71 -0.14 0.00 -2.10 0.00 0.00 70.33 69.24 3kfk n THR 84 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3kfk h GLN 85 N 2.45 0.30 0.00 -0.78 5.75 -0.60 -3.08 115.11 119.15 3kfk h GLN 85 Ca 0.00 -0.52 -0.04 0.00 -0.15 0.00 0.00 58.65 57.94 3kfk h GLN 85 Cb 0.61 0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.35 3kfk h GLN 85 CO 0.00 1.25 -0.20 1.05 -2.65 0.00 0.00 178.83 178.28 3kfk h GLU 86 N -0.02 0.00 0.16 1.69 4.11 -1.41 0.16 114.58 119.27 3kfk h GLU 86 Ca -0.37 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 58.76 3kfk h GLU 86 Cb 1.99 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.25 3kfk h GLU 86 CO 0.11 0.20 -1.34 -0.22 0.07 0.00 0.00 179.01 177.83 3kfk h LYS 87 N 0.00 0.34 0.03 1.06 1.63 -1.69 -3.32 116.57 114.63 3kfk h LYS 87 Ca -0.00 -0.59 -0.34 0.00 -0.85 0.00 0.00 60.65 58.87 3kfk h LYS 87 Cb 0.89 0.22 -0.04 0.00 -0.60 0.00 0.00 32.23 32.70 3kfk h LYS 87 CO 0.03 1.27 -1.90 0.39 -3.45 0.00 0.00 179.45 175.79 3kfk n GLU 88 N -3.57 0.63 -0.01 1.90 -0.58 -1.16 -4.88 120.64 112.97 3kfk n GLU 88 Ca -0.12 0.37 -0.02 0.00 -0.42 0.00 0.00 57.16 56.97 3kfk n GLU 88 Cb 1.05 -1.65 -0.01 0.00 -0.57 0.00 0.00 31.44 30.26 3kfk n GLU 88 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3kfk n VAL 89 N -3.99 0.67 0.00 2.62 0.31 -0.13 -5.08 118.33 112.74 3kfk n VAL 89 Ca -0.39 0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 3kfk n VAL 89 Cb 0.87 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 3kfk n VAL 89 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kfk n GLY 90 N 2.49 2.66 3.83 2.92 0.00 0.36 -4.94 105.19 112.51 3kfk n GLY 90 Ca -0.03 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 3kfk n GLY 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kfk s ASP 91 N 0.00 6.80 0.00 1.61 2.15 -1.26 -4.37 116.67 121.59 3kfk s ASP 91 Ca 0.00 0.95 0.00 0.00 0.43 0.00 0.00 52.55 53.93 3kfk s ASP 91 Cb 0.00 -2.25 0.00 0.00 -0.30 0.00 0.00 42.92 40.37 3kfk s ASP 91 CO 0.00 0.30 0.00 0.61 -0.17 0.00 0.00 175.17 175.91 3kfk n GLY 92 N 1.93 1.63 0.13 2.66 0.00 -1.26 -4.79 105.19 105.49 3kfk n GLY 92 Ca -0.14 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 3kfk n GLY 92 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3kfk h THR 93 N 0.00 1.47 -0.16 2.61 1.35 -1.91 -2.92 112.91 113.35 3kfk h THR 93 Ca 0.00 -2.38 -0.13 0.00 -0.55 0.00 0.00 66.41 63.35 3kfk h THR 93 Cb 0.00 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 3kfk h THR 93 CO 0.00 0.69 -0.41 0.74 -0.25 0.00 0.00 175.52 176.29 3kfk h THR 94 N 0.09 1.34 -0.16 6.82 2.02 -1.95 -3.29 112.91 117.79 3kfk h THR 94 Ca -0.02 -1.66 -0.06 0.00 0.77 0.00 0.00 66.41 65.44 3kfk h THR 94 Cb 1.30 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 69.68 3kfk h THR 94 CO 0.11 0.51 -0.16 0.71 0.37 0.00 0.00 175.52 177.05 3kfk h THR 95 N 0.21 1.20 0.00 3.16 1.35 -1.95 -2.83 112.91 114.05 3kfk h THR 95 Ca -0.00 -0.89 -0.08 0.00 -0.55 0.00 0.00 66.41 64.88 3kfk h THR 95 Cb 1.02 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 68.69 3kfk h THR 95 CO 0.09 0.28 -0.37 0.00 -0.25 0.00 0.00 175.52 175.27 3kfk h ALA 96 N 1.60 1.10 0.13 6.62 0.00 -1.58 -3.01 119.26 124.11 3kfk h ALA 96 Ca 0.05 -0.33 -0.27 0.00 0.00 0.00 0.00 54.91 54.35 3kfk h ALA 96 Cb 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3kfk h ALA 96 CO 0.03 0.46 -1.36 0.28 0.00 0.00 0.00 179.25 178.66 3kfk h VAL 97 N 0.00 1.09 -0.79 0.00 2.07 -1.58 -3.29 116.25 113.75 3kfk h VAL 97 Ca -0.00 -2.43 -0.04 0.00 0.82 0.00 0.00 66.70 65.05 3kfk h VAL 97 Cb 0.80 2.79 -0.04 0.00 -1.52 0.00 0.00 31.29 33.32 3kfk h VAL 97 CO 0.05 0.72 0.35 0.58 0.02 0.00 0.00 177.57 179.28 3kfk h VAL 98 N -0.28 1.25 -0.48 2.57 2.07 -1.56 -2.24 116.25 117.59 3kfk h VAL 98 Ca -0.28 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 3kfk h VAL 98 Cb 1.77 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 3kfk h VAL 98 CO 0.08 0.32 0.26 0.58 0.02 0.00 0.00 177.57 178.83 3kfk h VAL 99 N 1.13 1.17 -0.16 2.57 2.07 -1.70 -2.27 116.25 119.06 3kfk h VAL 99 Ca 0.27 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3kfk h VAL 99 Cb 0.16 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3kfk h VAL 99 CO -0.03 0.18 0.07 0.00 0.02 0.00 0.00 177.57 177.80 3kfk h ALA 100 N 1.11 1.82 -0.16 1.67 0.00 -1.54 -0.89 119.26 121.26 3kfk h ALA 100 Ca 0.17 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 3kfk h ALA 100 Cb 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3kfk h ALA 100 CO -0.03 0.15 -0.67 0.78 0.00 0.00 0.00 179.25 179.48 3kfk h GLY 101 N 0.31 0.69 1.98 0.00 0.00 -1.04 -3.04 103.07 101.97 3kfk h GLY 101 Ca 0.06 -0.91 -0.15 0.00 0.00 0.00 0.00 47.33 46.33 3kfk h GLY 101 CO -0.01 0.81 -0.71 -2.09 0.00 0.00 0.00 176.54 174.54 3kfk h GLU 102 N 0.45 0.02 0.00 4.80 4.57 -0.87 -2.46 114.58 121.09 3kfk h GLU 102 Ca -0.02 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 3kfk h GLU 102 Cb 1.26 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.85 3kfk h GLU 102 CO 0.13 0.72 -0.10 -0.07 -1.18 0.00 0.00 179.01 178.51 3kfk h LEU 103 N 0.01 0.00 0.01 1.64 3.38 -1.20 -1.29 115.31 117.87 3kfk h LEU 103 Ca -0.01 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.70 3kfk h LEU 103 Cb 1.26 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.97 3kfk h LEU 103 CO 0.09 0.10 -1.44 -0.07 0.09 0.00 0.00 178.44 177.22 3kfk h LEU 104 N 0.00 0.03 -0.20 1.67 3.38 -1.39 -3.07 115.31 115.72 3kfk h LEU 104 Ca -0.00 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 3kfk h LEU 104 Cb 0.55 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3kfk h LEU 104 CO 0.01 1.04 -0.54 -0.09 0.09 0.00 0.00 178.44 178.96 3kfk h ARG 105 N 0.01 0.72 0.00 1.13 2.43 -1.15 -2.68 114.38 114.84 3kfk h ARG 105 Ca -0.18 -0.51 0.00 0.00 -0.81 0.00 0.00 59.98 58.48 3kfk h ARG 105 Cb 1.92 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.55 3kfk h ARG 105 CO 0.10 1.13 0.00 0.87 -1.51 0.00 0.00 179.97 180.56 3kfk h LYS 106 N 0.44 0.00 0.14 0.20 1.79 -1.39 -3.19 116.57 114.55 3kfk h LYS 106 Ca -0.01 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.25 3kfk h LYS 106 Cb 1.16 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.82 3kfk h LYS 106 CO 0.12 0.00 -0.94 0.00 -1.08 0.00 0.00 179.45 177.54 3kfk h ALA 107 N 2.25 -0.04 0.00 3.86 0.00 -1.47 -3.31 119.26 120.55 3kfk h ALA 107 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3kfk h ALA 107 Cb 0.65 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3kfk h ALA 107 CO 0.00 0.47 0.00 1.05 0.00 0.00 0.00 179.25 180.77 3kfk h GLU 108 N -0.36 0.00 -0.08 0.00 4.11 -1.53 -0.96 114.58 115.75 3kfk h GLU 108 Ca -0.18 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.14 3kfk h GLU 108 Cb 1.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.90 3kfk h GLU 108 CO 0.13 0.00 -0.46 0.93 0.07 0.00 0.00 179.01 179.68 3kfk h GLU 109 N 0.00 0.20 0.01 1.06 5.08 -1.67 -2.62 114.58 116.64 3kfk h GLU 109 Ca 0.00 -0.10 -0.23 0.00 -1.00 0.00 0.00 59.36 58.02 3kfk h GLU 109 Cb 0.52 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 3kfk h GLU 109 CO 0.00 0.62 -1.19 -0.07 -1.00 0.00 0.00 179.01 177.37 3kfk h LEU 110 N 0.17 0.02 -0.79 1.33 3.38 -1.39 -3.34 115.31 114.69 3kfk h LEU 110 Ca 0.01 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 3kfk h LEU 110 Cb 0.87 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3kfk h LEU 110 CO 0.07 1.02 -0.51 -0.07 0.09 0.00 0.00 178.44 179.04 3kfk h LEU 111 N 0.00 0.26 -0.54 1.67 3.38 -1.14 -2.71 115.31 116.24 3kfk h LEU 111 Ca -0.08 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3kfk h LEU 111 Cb 1.84 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.51 3kfk h LEU 111 CO 0.12 0.73 0.00 0.44 0.09 0.00 0.00 178.44 179.82 3kfk h ASP 112 N 0.19 0.00 -0.51 -0.43 5.19 -1.60 -2.97 116.42 116.29 3kfk h ASP 112 Ca 0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 3kfk h ASP 112 Cb 0.97 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.48 3kfk h ASP 112 CO 0.08 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.20 3kfk n GLN 113 N -2.65 3.16 -2.31 3.56 6.02 -1.09 -4.94 117.38 119.13 3kfk n GLN 113 Ca 0.03 -2.24 -0.20 0.00 -0.01 0.00 0.00 57.00 54.58 3kfk n GLN 113 Cb 0.37 -1.77 -0.02 0.00 1.02 0.00 0.00 30.24 29.85 3kfk n GLN 113 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kfk n ASN 114 N 0.83 -5.76 -4.65 1.08 3.02 -1.12 -4.98 115.26 103.68 3kfk n ASN 114 Ca 0.20 0.03 -0.42 0.00 -0.03 0.00 0.00 54.58 54.36 3kfk n ASN 114 Cb 0.73 -4.80 -0.04 0.00 -0.61 0.00 0.00 39.78 35.06 3kfk n ASN 114 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kfk s VAL 115 N -2.99 4.84 0.30 2.41 1.01 -1.04 -5.02 120.40 119.91 3kfk s VAL 115 Ca 0.00 1.59 -0.30 0.00 0.00 0.00 0.00 61.98 63.27 3kfk s VAL 115 Cb 0.00 -4.12 -0.11 0.00 0.00 0.00 0.00 36.38 32.15 3kfk s VAL 115 CO 0.00 -0.07 1.52 -2.28 0.00 0.00 0.00 175.10 174.27 3kfk s HIS 116 N 2.78 2.80 0.54 5.22 2.46 -1.26 -4.46 115.29 123.37 3kfk s HIS 116 Ca 0.35 0.95 0.28 0.00 0.47 0.00 0.00 55.06 57.11 3kfk s HIS 116 Cb -0.15 -3.98 1.44 0.00 -0.13 0.00 0.00 32.58 29.76 3kfk s HIS 116 CO 0.08 -3.15 1.96 -1.35 -2.47 0.00 0.00 174.74 169.80 3kfk h PRO 117 N 4.45 0.00 0.00 2.88 0.11 -1.95 -0.97 132.00 136.52 3kfk h PRO 117 Ca -0.48 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 3kfk h PRO 117 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3kfk h PRO 117 CO 0.75 0.00 -0.44 1.79 -0.21 0.00 0.00 178.00 179.89 3kfk h THR 118 N 0.00 0.86 0.00 -1.15 1.35 -1.90 0.39 112.91 112.46 3kfk h THR 118 Ca 0.29 -1.89 -0.19 0.00 -0.55 0.00 0.00 66.41 64.07 3kfk h THR 118 Cb 1.20 2.19 -0.02 0.00 -1.73 0.00 0.00 68.15 69.80 3kfk h THR 118 CO -0.00 0.43 -0.86 0.40 -0.25 0.00 0.00 175.52 175.24 3kfk h ILE 119 N 0.00 1.54 -0.16 6.82 1.08 -1.56 -2.20 117.51 123.03 3kfk h ILE 119 Ca -0.00 -2.74 -0.06 0.00 -0.39 0.00 0.00 64.86 61.67 3kfk h ILE 119 Cb 1.16 2.51 -0.00 0.00 -3.07 0.00 0.00 36.82 37.42 3kfk h ILE 119 CO 0.06 0.79 -0.13 0.58 -0.69 0.00 0.00 178.15 178.75 3kfk h VAL 120 N 0.05 1.33 0.00 1.67 2.07 -1.13 -2.76 116.25 117.48 3kfk h VAL 120 Ca -0.03 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 3kfk h VAL 120 Cb 1.50 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 33.07 3kfk h VAL 120 CO 0.12 0.37 -0.02 1.62 0.02 0.00 0.00 177.57 179.69 3kfk h VAL 121 N 0.03 0.05 -0.08 2.57 3.04 -0.98 -1.01 116.25 119.88 3kfk h VAL 121 Ca 0.03 -0.54 -0.23 0.00 -1.01 0.00 0.00 66.70 64.96 3kfk h VAL 121 Cb 0.65 1.51 0.01 0.00 -2.01 0.00 0.00 31.29 31.45 3kfk h VAL 121 CO 0.03 0.02 -0.86 0.50 -1.01 0.00 0.00 177.57 176.25 3kfk h LYS 122 N 0.00 0.65 0.09 4.17 3.64 -1.31 -3.04 116.57 120.77 3kfk h LYS 122 Ca -0.00 -0.59 -0.29 0.00 -1.27 0.00 0.00 60.65 58.50 3kfk h LYS 122 Cb 0.51 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 3kfk h LYS 122 CO 0.00 1.20 -1.43 0.78 -2.27 0.00 0.00 179.45 177.73 3kfk h GLY 123 N 0.75 0.23 1.25 5.01 0.00 -1.24 -3.16 103.07 105.91 3kfk h GLY 123 Ca -0.07 -0.58 -0.07 0.00 0.00 0.00 0.00 47.33 46.61 3kfk h GLY 123 CO 0.17 0.51 0.05 -0.97 0.00 0.00 0.00 176.54 176.29 3kfk h TYR 124 N 0.05 0.97 -0.08 5.60 0.99 -1.29 -1.05 116.97 122.17 3kfk h TYR 124 Ca -0.20 -0.13 -0.23 0.00 2.00 0.00 0.00 58.73 60.17 3kfk h TYR 124 Cb 1.98 -0.27 0.01 0.00 1.00 0.00 0.00 36.73 39.45 3kfk h TYR 124 CO 0.05 0.86 -0.85 0.37 -0.00 0.00 0.00 178.16 178.59 3kfk h GLN 125 N 0.86 0.71 -0.15 4.88 4.15 -1.67 -2.52 115.11 121.37 3kfk h GLN 125 Ca 0.17 -0.66 -0.09 0.00 0.77 0.00 0.00 58.65 58.84 3kfk h GLN 125 Cb 0.44 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 3kfk h GLN 125 CO 0.02 1.26 -0.29 0.00 -1.93 0.00 0.00 178.83 177.89 3kfk h ALA 126 N 0.46 1.24 -0.02 3.38 0.00 -1.49 0.00 119.26 122.83 3kfk h ALA 126 Ca -0.08 -0.33 -0.24 0.00 0.00 0.00 0.00 54.91 54.25 3kfk h ALA 126 Cb 1.50 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.20 3kfk h ALA 126 CO 0.17 0.51 -0.97 0.00 0.00 0.00 0.00 179.25 178.96 3kfk h ALA 127 N 1.45 0.26 0.00 0.00 0.00 -1.25 -2.58 119.26 117.14 3kfk h ALA 127 Ca 0.04 -0.69 -0.10 0.00 0.00 0.00 0.00 54.91 54.15 3kfk h ALA 127 Cb 0.64 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3kfk h ALA 127 CO 0.05 0.74 -0.49 0.00 0.00 0.00 0.00 179.25 179.55 3kfk h ALA 128 N 0.57 1.11 -0.05 0.00 0.00 -1.27 0.24 119.26 119.86 3kfk h ALA 128 Ca -0.10 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.23 3kfk h ALA 128 Cb 1.61 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 3kfk h ALA 128 CO 0.18 0.61 -0.56 0.37 0.00 0.00 0.00 179.25 179.86 3kfk h GLN 129 N 0.00 0.16 0.09 0.00 4.15 -1.00 -2.91 115.11 115.59 3kfk h GLN 129 Ca -0.00 -0.10 -0.29 0.00 0.77 0.00 0.00 58.65 59.03 3kfk h GLN 129 Cb 0.91 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.60 3kfk h GLN 129 CO 0.06 0.67 -1.44 -0.22 -1.93 0.00 0.00 178.83 175.98 3kfk h LYS 130 N 0.12 0.19 -0.52 1.69 1.63 -1.11 -3.25 116.57 115.32 3kfk h LYS 130 Ca -0.00 -0.32 -0.02 0.00 -0.85 0.00 0.00 60.65 59.46 3kfk h LYS 130 Cb 1.02 0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 32.74 3kfk h LYS 130 CO 0.08 1.04 0.24 0.00 -3.45 0.00 0.00 179.45 177.37 3kfk h ALA 131 N 0.63 1.46 -0.08 5.00 0.00 -0.53 -1.96 119.26 123.78 3kfk h ALA 131 Ca -0.20 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 3kfk h ALA 131 Cb 1.97 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 3kfk h ALA 131 CO 0.15 0.43 -0.62 1.96 0.00 0.00 0.00 179.25 181.17 3kfk h GLN 132 N 0.73 0.29 -1.05 0.00 1.08 -1.63 -2.52 115.11 112.00 3kfk h GLN 132 Ca 0.18 -0.21 -0.48 0.00 -1.45 0.00 0.00 58.65 56.70 3kfk h GLN 132 Cb 0.09 0.03 -0.25 0.00 -0.05 0.00 0.00 27.48 27.30 3kfk h GLN 132 CO -0.02 0.82 0.61 -0.85 -0.95 0.00 0.00 178.83 178.44 3kfk n GLU 133 N -3.87 2.16 0.00 1.46 0.28 -0.85 -3.84 120.64 115.98 3kfk n GLU 133 Ca -0.03 -2.59 0.00 0.00 -0.16 0.00 0.00 57.16 54.39 3kfk n GLU 133 Cb 0.63 -2.01 0.00 0.00 1.43 0.00 0.00 31.44 31.49 3kfk n GLU 133 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3kfk n LEU 134 N -0.77 0.00 0.25 -1.84 4.77 -0.80 -4.78 117.00 113.83 3kfk n LEU 134 Ca 0.51 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.65 3kfk n LEU 134 Cb 1.23 0.00 0.56 0.00 -2.33 0.00 0.00 43.42 42.88 3kfk n LEU 134 CO 0.56 0.00 0.94 -0.07 -1.33 0.00 0.00 177.39 177.49 3kfk h LEU 135 N 0.00 0.00 -0.81 2.23 3.38 -1.56 -3.25 115.31 115.30 3kfk h LEU 135 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3kfk h LEU 135 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3kfk h LEU 135 CO 0.00 0.00 -0.39 0.11 0.09 0.00 0.00 178.44 178.25 3kfk h LYS 136 N 0.00 0.41 0.04 1.13 1.57 -1.86 -2.61 116.57 115.25 3kfk h LYS 136 Ca 0.00 -0.20 -0.15 0.00 -1.87 0.00 0.00 60.65 58.43 3kfk h LYS 136 Cb 0.61 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.93 3kfk h LYS 136 CO 0.00 0.74 -0.60 1.79 -0.57 0.00 0.00 179.45 180.81 3kfk h THR 137 N 0.35 1.47 0.00 -0.16 1.35 -1.91 -3.31 112.91 110.71 3kfk h THR 137 Ca 0.03 -2.19 0.00 0.00 -0.55 0.00 0.00 66.41 63.71 3kfk h THR 137 Cb 0.84 2.79 0.00 0.00 -1.73 0.00 0.00 68.15 70.05 3kfk h THR 137 CO 0.07 0.63 0.00 2.30 -0.25 0.00 0.00 175.52 178.26 3kfk n ILE 138 N -4.24 0.22 -2.97 6.82 -5.35 -1.22 -4.72 119.36 107.91 3kfk n ILE 138 Ca -0.11 0.06 -0.40 0.00 -0.27 0.00 0.00 62.75 62.02 3kfk n ILE 138 Cb 0.69 -0.68 -0.05 0.00 -1.74 0.00 0.00 39.64 37.86 3kfk n ILE 138 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kfk s ALA 139 N -2.46 3.34 0.01 -1.28 0.00 -0.99 -4.79 121.76 115.59 3kfk s ALA 139 Ca 0.25 0.27 -0.16 0.00 0.00 0.00 0.00 51.96 52.31 3kfk s ALA 139 Cb 0.16 -3.02 -0.06 0.00 0.00 0.00 0.00 23.12 20.19 3kfk s ALA 139 CO 0.33 -0.01 0.46 0.00 0.00 0.00 0.00 175.76 176.55 3kfk s GLU 141 N -0.87 4.33 -0.70 0.00 0.41 -1.25 -1.01 118.70 119.61 3kfk s GLU 141 Ca 0.25 1.05 0.02 0.00 -0.41 0.00 0.00 54.97 55.88 3kfk s GLU 141 Cb -0.17 -3.56 0.17 0.00 -1.78 0.00 0.00 34.13 28.79 3kfk s GLU 141 CO 0.15 -0.29 0.51 0.08 -0.49 0.00 0.00 175.26 175.22 3kfk s VAL 142 N 2.00 3.37 0.00 2.63 1.01 2.27 -4.95 120.40 126.73 3kfk s VAL 142 Ca 0.40 -3.74 0.00 0.00 0.00 0.00 0.00 61.98 58.64 3kfk s VAL 142 Cb -0.17 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.02 3kfk s VAL 142 CO 0.14 -0.96 0.00 0.61 0.00 0.00 0.00 175.10 174.89 3kfk n GLY 143 N 2.58 0.00 0.24 4.51 0.00 -1.26 -4.60 105.19 106.66 3kfk n GLY 143 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 3kfk n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfk h ALA 144 N 0.00 1.32 -0.08 4.61 0.00 -1.88 -2.59 119.26 120.64 3kfk h ALA 144 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3kfk h ALA 144 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3kfk h ALA 144 CO 0.00 0.23 -0.15 1.04 0.00 0.00 0.00 179.25 180.37 3kfk n GLN 145 N -3.77 1.67 -2.55 0.00 6.02 -1.26 -4.68 117.38 112.80 3kfk n GLN 145 Ca -0.02 -2.90 -0.41 0.00 -0.01 0.00 0.00 57.00 53.66 3kfk n GLN 145 Cb 0.29 -1.62 -0.02 0.00 1.02 0.00 0.00 30.24 29.91 3kfk n GLN 145 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3kfk s ASP 146 N -2.81 6.61 0.49 1.08 3.68 -0.98 -4.84 116.67 119.90 3kfk s ASP 146 Ca 0.37 -1.94 0.25 0.00 2.13 0.00 0.00 52.55 53.35 3kfk s ASP 146 Cb 0.33 -2.58 1.24 0.00 -1.45 0.00 0.00 42.92 40.47 3kfk s ASP 146 CO 0.01 -1.40 1.99 0.11 0.13 0.00 0.00 175.17 176.01 3kfk h LYS 147 N 8.71 0.00 -0.06 4.34 1.57 -1.90 -1.66 116.57 127.57 3kfk h LYS 147 Ca 0.32 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.98 3kfk h LYS 147 Cb 0.94 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 3kfk h LYS 147 CO 1.44 0.17 -0.54 1.05 -0.57 0.00 0.00 179.45 181.00 3kfk h GLU 148 N 0.00 0.17 0.16 3.15 4.11 -2.00 -1.51 114.58 118.66 3kfk h GLU 148 Ca -0.00 -0.10 -0.32 0.00 0.07 0.00 0.00 59.36 59.00 3kfk h GLU 148 Cb 0.46 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.73 3kfk h GLU 148 CO 0.02 0.67 -1.54 0.82 0.07 0.00 0.00 179.01 179.05 3kfk h ILE 149 N 0.14 1.17 -0.18 -1.06 2.04 -1.86 -3.23 117.51 114.53 3kfk h ILE 149 Ca 0.00 -2.74 -0.01 0.00 1.00 0.00 0.00 64.86 63.11 3kfk h ILE 149 Cb 0.99 2.84 -0.01 0.00 -0.74 0.00 0.00 36.82 39.90 3kfk h ILE 149 CO 0.08 0.84 0.05 -0.07 0.00 0.00 0.00 178.15 179.05 3kfk h LEU 150 N 0.09 0.22 -0.53 1.44 3.38 -1.27 -0.13 115.31 118.52 3kfk h LEU 150 Ca -0.26 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.57 3kfk h LEU 150 Cb 2.06 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.74 3kfk h LEU 150 CO 0.19 0.22 -0.21 0.74 0.09 0.00 0.00 178.44 179.48 3kfk h THR 151 N 0.25 1.27 -0.53 0.22 2.02 -1.37 -1.78 112.91 112.98 3kfk h THR 151 Ca 0.06 -1.37 -0.11 0.00 0.77 0.00 0.00 66.41 65.76 3kfk h THR 151 Cb 0.09 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 3kfk h THR 151 CO -0.00 0.47 -0.11 0.11 0.37 0.00 0.00 175.52 176.36 3kfk h LYS 152 N 0.84 1.00 -0.55 6.66 1.57 -1.29 0.11 116.57 124.91 3kfk h LYS 152 Ca 0.11 -0.37 -0.06 0.00 -1.87 0.00 0.00 60.65 58.47 3kfk h LYS 152 Cb 0.78 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 3kfk h LYS 152 CO 0.06 1.05 0.11 0.82 -0.57 0.00 0.00 179.45 180.92 3kfk h ILE 153 N 0.89 1.25 -0.44 1.86 2.04 -1.02 0.24 117.51 122.33 3kfk h ILE 153 Ca 0.14 -0.93 -0.11 0.00 1.00 0.00 0.00 64.86 64.97 3kfk h ILE 153 Cb 0.67 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3kfk h ILE 153 CO 0.05 0.34 -0.15 0.00 0.00 0.00 0.00 178.15 178.38 3kfk h ALA 154 N 1.00 0.90 -0.52 1.87 0.00 -1.20 -2.54 119.26 118.78 3kfk h ALA 154 Ca 0.17 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 3kfk h ALA 154 Cb 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3kfk h ALA 154 CO 0.01 0.63 0.01 1.98 0.00 0.00 0.00 179.25 181.87 3kfk h MET 155 N 0.74 0.88 0.00 0.00 -1.53 -0.48 -2.18 114.93 112.35 3kfk h MET 155 Ca 0.11 -0.25 -0.07 0.00 -3.44 0.00 0.00 59.70 56.05 3kfk h MET 155 Cb 0.66 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.60 3kfk h MET 155 CO 0.05 0.87 -0.35 1.15 0.14 0.00 0.00 176.91 178.77 3kfk h THR 156 N 0.82 1.01 0.06 -0.77 2.02 -0.83 -1.90 112.91 113.31 3kfk h THR 156 Ca 0.16 -1.32 -0.27 0.00 0.77 0.00 0.00 66.41 65.75 3kfk h THR 156 Cb 0.48 1.76 0.02 0.00 -1.74 0.00 0.00 68.15 68.67 3kfk h THR 156 CO 0.02 0.34 -1.08 -1.28 0.37 0.00 0.00 175.52 173.89 3kfk h SER 157 N 0.00 0.85 -0.46 4.18 0.87 -1.08 -3.28 113.55 114.63 3kfk h SER 157 Ca -0.00 -0.78 -0.13 0.00 -1.23 0.00 0.00 61.79 59.64 3kfk h SER 157 Cb 0.74 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 3kfk h SER 157 CO 0.05 1.54 -0.22 0.40 -0.53 0.00 0.00 176.83 178.07 3kfk h ILE 158 N 0.27 1.27 -3.90 2.23 2.04 -1.36 -3.42 117.51 114.64 3kfk h ILE 158 Ca -0.15 -1.38 -0.52 0.00 1.00 0.00 0.00 64.86 63.81 3kfk h ILE 158 Cb 1.76 1.13 0.06 0.00 -0.74 0.00 0.00 36.82 39.03 3kfk h ILE 158 CO 0.21 0.48 0.58 -0.89 0.00 0.00 0.00 178.15 178.53 3kfk s THR 159 N -4.66 2.87 0.00 -0.27 2.01 -0.72 -2.93 115.64 111.93 3kfk s THR 159 Ca -0.11 0.82 0.00 0.00 0.31 0.00 0.00 61.69 62.71 3kfk s THR 159 Cb 0.12 -3.50 0.00 0.00 0.01 0.00 0.00 72.50 69.13 3kfk s THR 159 CO 0.87 0.15 0.00 0.61 -0.69 0.00 0.00 174.62 175.56 3kfk n GLY 160 N 0.77 2.62 0.07 4.40 0.00 -1.26 -4.78 105.19 107.02 3kfk n GLY 160 Ca 0.02 -0.75 0.11 0.00 0.00 0.00 0.00 46.02 45.40 3kfk n GLY 160 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kfk n LYS 161 N 0.00 0.58 0.00 1.61 5.02 -1.15 -4.78 118.16 119.44 3kfk n LYS 161 Ca 0.00 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 3kfk n LYS 161 Cb 0.00 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 3kfk n LYS 161 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kfk n GLY 162 N 1.23 3.02 0.14 0.72 0.00 -1.21 -4.95 105.19 104.13 3kfk n GLY 162 Ca -0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 3kfk n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfk h ALA 163 N 0.00 0.69 0.00 4.61 0.00 -1.92 -2.74 119.26 119.91 3kfk h ALA 163 Ca 0.00 -0.65 -0.07 0.00 0.00 0.00 0.00 54.91 54.19 3kfk h ALA 163 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3kfk h ALA 163 CO 0.00 0.85 -0.34 1.05 0.00 0.00 0.00 179.25 180.81 3kfk h GLU 164 N 0.11 0.00 -0.01 0.00 9.09 -1.96 -2.55 114.58 119.25 3kfk h GLU 164 Ca -0.02 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.23 3kfk h GLU 164 Cb 1.32 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.40 3kfk h GLU 164 CO 0.11 0.34 -0.70 0.87 0.05 0.00 0.00 179.01 179.68 3kfk h LYS 165 N 0.00 0.08 -5.85 1.06 1.57 -1.88 -3.40 116.57 108.15 3kfk h LYS 165 Ca -0.00 -0.07 -0.63 0.00 -1.87 0.00 0.00 60.65 58.08 3kfk h LYS 165 Cb 0.86 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 33.07 3kfk h LYS 165 CO 0.04 0.75 1.47 0.00 -0.57 0.00 0.00 179.45 181.15 3kfk s ALA 166 N -3.47 2.94 0.00 3.86 0.00 -0.96 -4.97 121.76 119.16 3kfk s ALA 166 Ca -0.02 -2.46 0.05 0.00 0.00 0.00 0.00 51.96 49.53 3kfk s ALA 166 Cb 0.12 -4.45 -0.03 0.00 0.00 0.00 0.00 23.12 18.76 3kfk s ALA 166 CO 0.79 -3.45 -0.14 0.21 0.00 0.00 0.00 175.76 173.18 3kfk s LYS 167 N 4.39 2.35 0.30 0.00 2.20 -1.26 -4.95 119.74 122.77 3kfk s LYS 167 Ca 0.45 -0.81 0.06 0.00 -0.36 0.00 0.00 55.97 55.30 3kfk s LYS 167 Cb -0.00 -2.34 0.79 0.00 -1.51 0.00 0.00 37.83 34.77 3kfk s LYS 167 CO -0.07 0.59 1.70 0.93 -0.36 0.00 0.00 175.35 178.14 3kfk h GLU 168 N 4.81 0.44 0.00 4.03 4.39 -1.99 -2.05 114.58 124.21 3kfk h GLU 168 Ca -0.47 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.09 3kfk h GLU 168 Cb 1.16 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.69 3kfk h GLU 168 CO 0.50 0.29 -0.53 0.87 -1.16 0.00 0.00 179.01 178.98 3kfk h LYS 169 N 0.45 0.00 -0.38 2.33 1.57 -1.99 -3.25 116.57 115.29 3kfk h LYS 169 Ca 0.59 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.24 3kfk h LYS 169 Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 3kfk h LYS 169 CO -0.52 0.53 -0.28 1.25 -0.57 0.00 0.00 179.45 179.87 3kfk h LEU 170 N 0.00 0.90 -1.05 2.94 5.85 -1.75 -3.14 115.31 119.07 3kfk h LEU 170 Ca -0.01 -0.44 -0.10 0.00 0.84 0.00 0.00 57.88 58.18 3kfk h LEU 170 Cb 1.01 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 3kfk h LEU 170 CO 0.07 1.15 -0.46 0.00 -0.34 0.00 0.00 178.44 178.86 3kfk h ALA 171 N 0.78 1.16 0.00 1.25 0.00 -1.60 -2.90 119.26 117.96 3kfk h ALA 171 Ca 0.07 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 3kfk h ALA 171 Cb 0.85 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3kfk h ALA 171 CO 0.07 0.57 -0.51 0.93 0.00 0.00 0.00 179.25 180.31 3kfk h GLU 172 N 0.00 0.00 -0.14 0.00 5.08 -1.59 -3.14 114.58 114.80 3kfk h GLU 172 Ca -0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 3kfk h GLU 172 Cb 0.85 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.11 3kfk h GLU 172 CO 0.06 0.51 -0.60 0.82 -1.00 0.00 0.00 179.01 178.80 3kfk h ILE 173 N 0.00 1.33 -0.44 3.13 2.04 -1.47 -3.31 117.51 118.78 3kfk h ILE 173 Ca -0.01 -1.86 -0.04 0.00 1.00 0.00 0.00 64.86 63.96 3kfk h ILE 173 Cb 0.93 2.06 -0.02 0.00 -0.74 0.00 0.00 36.82 39.06 3kfk h ILE 173 CO 0.07 0.57 0.13 0.40 0.00 0.00 0.00 178.15 179.32 3kfk h ILE 174 N 0.32 1.23 -0.97 -0.67 2.04 -1.52 -3.09 117.51 114.83 3kfk h ILE 174 Ca -0.04 -0.76 0.01 0.00 1.00 0.00 0.00 64.86 65.08 3kfk h ILE 174 Cb 1.23 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 38.15 3kfk h ILE 174 CO 0.13 0.27 0.64 0.58 0.00 0.00 0.00 178.15 179.77 3kfk h VAL 175 N 0.58 1.25 -0.19 1.67 2.07 -1.67 -2.44 116.25 117.52 3kfk h VAL 175 Ca 0.14 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 3kfk h VAL 175 Cb 0.28 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 3kfk h VAL 175 CO -0.00 0.24 -0.12 -0.08 0.02 0.00 0.00 177.57 177.63 3kfk h GLU 176 N 1.31 0.30 -0.06 1.57 4.81 -1.63 -2.36 114.58 118.53 3kfk h GLU 176 Ca 0.36 -0.07 -0.21 0.00 -0.13 0.00 0.00 59.36 59.30 3kfk h GLU 176 Cb -0.15 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.21 3kfk h GLU 176 CO -0.08 0.43 -0.78 0.00 -0.73 0.00 0.00 179.01 177.85 3kfk h ALA 177 N 1.60 0.18 -0.21 2.92 0.00 -1.42 -3.18 119.26 119.14 3kfk h ALA 177 Ca 0.06 -0.61 -0.20 0.00 0.00 0.00 0.00 54.91 54.16 3kfk h ALA 177 Cb 0.39 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3kfk h ALA 177 CO 0.02 0.56 -0.65 0.28 0.00 0.00 0.00 179.25 179.46 3kfk h VAL 178 N 0.29 1.29 0.00 0.00 2.07 -1.39 -2.96 116.25 115.54 3kfk h VAL 178 Ca -0.08 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.58 3kfk h VAL 178 Cb 1.44 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 3kfk h VAL 178 CO 0.16 0.59 0.00 0.28 0.02 0.00 0.00 177.57 178.62 3kfk h SER 179 N 0.56 0.00 0.53 0.57 0.02 -1.54 -3.08 113.55 110.60 3kfk h SER 179 Ca -0.01 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.65 3kfk h SER 179 Cb 1.25 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.76 3kfk h SER 179 CO 0.13 0.00 -1.57 0.00 -1.14 0.00 0.00 176.83 174.26 3kfk h ALA 180 N 2.05 0.52 -0.17 3.77 0.00 -1.51 -3.35 119.26 120.57 3kfk h ALA 180 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 54.91 53.65 3kfk h ALA 180 Cb 0.46 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3kfk h ALA 180 CO 0.00 1.37 0.00 1.33 0.00 0.00 0.00 179.25 181.95 3kfk n VAL 181 N -3.26 0.23 -2.41 0.00 0.24 -1.13 -4.52 118.33 107.47 3kfk n VAL 181 Ca -0.15 -0.26 -0.43 0.00 -2.04 0.00 0.00 64.34 61.46 3kfk n VAL 181 Cb 1.03 0.14 -0.02 0.00 -1.47 0.00 0.00 33.84 33.51 3kfk n VAL 181 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3kfk s VAL 182 N -1.77 4.18 -0.56 3.34 1.01 -1.23 -4.49 120.40 120.87 3kfk s VAL 182 Ca 0.21 1.37 -0.26 0.00 0.00 0.00 0.00 61.98 63.29 3kfk s VAL 182 Cb 0.11 -4.08 0.03 0.00 0.00 0.00 0.00 36.38 32.44 3kfk s VAL 182 CO 0.16 -0.34 1.08 1.51 0.00 0.00 0.00 175.10 177.51 3kfk s ASP 183 N 2.55 6.41 -0.03 3.32 -4.77 -1.18 -5.00 116.67 117.97 3kfk s ASP 183 Ca 0.56 -0.07 -0.30 0.00 -3.30 0.00 0.00 52.55 49.44 3kfk s ASP 183 Cb -0.19 -2.50 -0.04 0.00 -1.09 0.00 0.00 42.92 39.10 3kfk s ASP 183 CO 0.20 -1.36 1.31 -1.81 0.70 0.00 0.00 175.17 174.22 3kfk s ASP 184 N 2.87 6.94 -0.05 2.11 1.01 -1.26 -3.16 116.67 125.13 3kfk s ASP 184 Ca 0.38 1.98 0.04 0.00 0.71 0.00 0.00 52.55 55.65 3kfk s ASP 184 Cb -0.10 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.28 3kfk s ASP 184 CO 0.23 -0.66 -0.16 -1.61 0.21 0.00 0.00 175.17 173.18 3kfk s GLU 185 N 2.35 1.75 -0.25 8.23 2.02 -1.26 -5.05 118.70 126.49 3kfk s GLU 185 Ca 0.60 -0.55 0.09 0.00 0.02 0.00 0.00 54.97 55.13 3kfk s GLU 185 Cb -0.28 -1.49 0.29 0.00 0.10 0.00 0.00 34.13 32.75 3kfk s GLU 185 CO 0.24 0.18 1.26 0.41 0.02 0.00 0.00 175.26 177.37 3kfk n GLY 186 N 3.32 1.17 3.91 -1.39 0.00 -1.19 -5.17 105.19 105.84 3kfk n GLY 186 Ca -0.19 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 3kfk n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kfk s LYS 187 N 0.10 2.39 -0.20 1.61 -0.14 -1.23 -4.69 119.74 117.57 3kfk s LYS 187 Ca 0.07 0.07 -0.00 0.00 -1.36 0.00 0.00 55.97 54.74 3kfk s LYS 187 Cb 0.32 -2.08 0.02 0.00 -1.68 0.00 0.00 37.83 34.40 3kfk s LYS 187 CO -0.09 -1.22 -0.14 0.08 -0.76 0.00 0.00 175.35 173.22 3kfk s VAL 188 N -3.34 2.47 -0.28 3.17 1.01 -1.26 -3.10 120.40 119.07 3kfk s VAL 188 Ca 0.59 -0.87 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 3kfk s VAL 188 Cb -0.11 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 3kfk s VAL 188 CO 0.48 0.45 0.37 -0.62 0.00 0.00 0.00 175.10 175.78 3kfk s ASP 189 N 1.33 6.24 0.49 3.32 3.68 -1.26 -4.96 116.67 125.51 3kfk s ASP 189 Ca 0.04 0.19 0.29 0.00 2.13 0.00 0.00 52.55 55.20 3kfk s ASP 189 Cb -0.14 -2.21 0.95 0.00 -1.45 0.00 0.00 42.92 40.07 3kfk s ASP 189 CO -0.09 -0.22 1.83 0.11 0.13 0.00 0.00 175.17 176.93 3kfk h LYS 190 N 8.24 0.00 0.00 4.34 6.56 -1.97 -3.11 116.57 130.63 3kfk h LYS 190 Ca -0.31 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.28 3kfk h LYS 190 Cb 1.16 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.82 3kfk h LYS 190 CO 0.65 0.00 0.00 -0.44 -2.06 0.00 0.00 179.45 177.60 3kfk h ASP 191 N 0.00 0.00 0.82 0.86 3.32 -1.98 -3.21 116.42 116.24 3kfk h ASP 191 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3kfk h ASP 191 Cb 0.70 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 3kfk h ASP 191 CO 0.00 0.00 -0.20 -0.07 -1.72 0.00 0.00 179.24 177.25 3kfk h LEU 192 N 0.00 0.00 -8.84 1.55 3.38 -1.88 -3.42 115.31 106.10 3kfk h LEU 192 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 3kfk h LEU 192 Cb 0.69 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.31 3kfk h LEU 192 CO 0.00 0.20 0.15 -0.63 0.09 0.00 0.00 178.44 178.26 3kfk s ILE 193 N -3.74 4.91 0.03 1.22 1.01 -1.21 -2.46 121.20 120.95 3kfk s ILE 193 Ca -0.00 0.74 -0.21 0.00 0.00 0.00 0.00 60.65 61.18 3kfk s ILE 193 Cb 0.11 -4.04 -0.06 0.00 0.01 0.00 0.00 42.46 38.48 3kfk s ILE 193 CO 0.62 -0.22 0.63 -0.54 0.00 0.00 0.00 174.94 175.43 3kfk s LYS 194 N 2.67 4.35 -0.21 2.79 3.01 0.18 -4.95 119.74 127.58 3kfk s LYS 194 Ca 0.25 0.82 -0.05 0.00 -1.01 0.00 0.00 55.97 55.99 3kfk s LYS 194 Cb -0.15 -3.32 -0.02 0.00 -1.01 0.00 0.00 37.83 33.33 3kfk s LYS 194 CO 0.13 0.41 -0.00 0.42 0.51 0.00 0.00 175.35 176.82 3kfk s ILE 195 N -0.38 3.88 -0.09 2.17 1.01 -1.26 0.34 121.20 126.86 3kfk s ILE 195 Ca 0.32 -0.33 0.03 0.00 0.00 0.00 0.00 60.65 60.67 3kfk s ILE 195 Cb -0.19 -2.76 -0.01 0.00 0.01 0.00 0.00 42.46 39.51 3kfk s ILE 195 CO 0.19 0.42 -0.19 -1.61 0.00 0.00 0.00 174.94 173.76 3kfk s GLU 196 N 1.10 2.99 -0.42 2.79 8.01 -0.45 -4.86 118.70 127.87 3kfk s GLU 196 Ca 0.02 -0.78 -0.05 0.00 0.01 0.00 0.00 54.97 54.17 3kfk s GLU 196 Cb -0.14 -2.41 0.11 0.00 -4.31 0.00 0.00 34.13 27.38 3kfk s GLU 196 CO 0.01 0.30 0.23 0.15 0.01 0.00 0.00 175.26 175.97 3kfk s LYS 197 N 0.08 2.15 0.22 1.61 1.02 -1.26 -1.46 119.74 122.10 3kfk s LYS 197 Ca -0.08 -1.77 0.07 0.00 0.02 0.00 0.00 55.97 54.20 3kfk s LYS 197 Cb -0.15 -3.66 -0.05 0.00 -0.52 0.00 0.00 37.83 33.44 3kfk s LYS 197 CO 0.05 -1.08 -0.10 0.15 -0.92 0.00 0.00 175.35 173.45 3kfk s LYS 198 N 1.21 1.36 0.00 1.68 -0.14 -1.10 -5.06 119.74 117.69 3kfk s LYS 198 Ca 0.07 -1.64 0.00 0.00 -1.36 0.00 0.00 55.97 53.04 3kfk s LYS 198 Cb -0.24 -1.01 0.00 0.00 -1.68 0.00 0.00 37.83 34.90 3kfk s LYS 198 CO -0.03 0.10 0.00 -1.13 -0.76 0.00 0.00 175.35 173.53 3kfk n SER 199 N -0.42 0.00 0.00 2.83 3.41 -1.26 -3.26 113.62 114.92 3kfk n SER 199 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 3kfk n SER 199 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 3kfk n SER 199 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kfk n GLY 200 N 5.00 1.66 3.55 5.00 0.00 -1.17 -4.45 105.19 114.78 3kfk n GLY 200 Ca 0.00 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 3kfk n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfk n ALA 201 N 1.67 0.65 -2.22 4.61 0.00 -1.26 -3.74 120.51 120.22 3kfk n ALA 201 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.38 3kfk n ALA 201 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 19.45 16.23 3kfk n ALA 201 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kfk n SER 202 N 16.60 0.00 0.00 0.00 2.88 -1.26 -4.74 113.62 127.09 3kfk n SER 202 Ca 0.40 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 3kfk n SER 202 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 3kfk n SER 202 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3kfk n ILE 203 N 0.00 0.00 0.01 2.46 5.41 -1.00 -4.02 119.36 122.22 3kfk n ILE 203 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.81 3kfk n ILE 203 Cb 0.00 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 38.82 3kfk n ILE 203 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3kfk n ASP 204 N 1.00 0.36 -0.21 4.38 9.92 -1.26 -4.20 116.55 126.54 3kfk n ASP 204 Ca 0.00 0.15 0.03 0.00 -0.53 0.00 0.00 54.79 54.44 3kfk n ASP 204 Cb 0.00 1.15 0.14 0.00 -0.64 0.00 0.00 41.12 41.77 3kfk n ASP 204 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3kfk n ASP 205 N -2.54 0.61 -4.63 -2.24 9.92 -1.26 -4.84 116.55 111.56 3kfk n ASP 205 Ca -0.08 -1.90 -0.43 0.00 -0.53 0.00 0.00 54.79 51.85 3kfk n ASP 205 Cb 0.70 -0.07 -0.03 0.00 -0.64 0.00 0.00 41.12 41.08 3kfk n ASP 205 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3kfk s THR 206 N -1.86 3.50 0.06 -3.53 -4.23 -1.26 -4.94 115.64 103.38 3kfk s THR 206 Ca 0.12 0.57 0.06 0.00 -1.18 0.00 0.00 61.69 61.26 3kfk s THR 206 Cb 0.06 -3.49 -0.04 0.00 1.34 0.00 0.00 72.50 70.38 3kfk s THR 206 CO 0.09 -0.18 -0.11 -1.83 -0.54 0.00 0.00 174.62 172.05 3kfk s GLU 207 N 4.78 2.25 -0.50 3.99 -1.05 -1.25 -5.05 118.70 121.85 3kfk s GLU 207 Ca 0.78 -0.92 -0.28 0.00 -0.15 0.00 0.00 54.97 54.40 3kfk s GLU 207 Cb -0.29 -2.34 0.03 0.00 -0.44 0.00 0.00 34.13 31.09 3kfk s GLU 207 CO 0.32 0.55 1.10 -1.17 0.95 0.00 0.00 175.26 177.00 3kfk s LEU 208 N -1.77 3.69 0.36 1.83 2.96 -1.26 -3.52 118.68 120.96 3kfk s LEU 208 Ca 0.18 0.26 -0.28 0.00 -0.22 0.00 0.00 54.13 54.07 3kfk s LEU 208 Cb -0.11 -3.35 -0.12 0.00 0.50 0.00 0.00 46.19 43.12 3kfk s LEU 208 CO 0.10 -1.27 1.41 0.52 -1.32 0.00 0.00 176.35 175.78 3kfk n VAL 212 N 6.69 1.98 -3.65 1.68 0.31 0.16 -5.05 118.33 120.46 3kfk n VAL 212 Ca 0.09 -0.49 -0.39 0.00 -0.01 0.00 0.00 64.34 63.54 3kfk n VAL 212 Cb 0.49 -1.81 -0.10 0.00 -0.91 0.00 0.00 33.84 31.51 3kfk n VAL 212 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3kfk s LEU 213 N -1.59 5.39 -0.13 7.52 2.96 -1.26 -1.93 118.68 129.64 3kfk s LEU 213 Ca 0.54 -1.85 -0.24 0.00 -0.22 0.00 0.00 54.13 52.36 3kfk s LEU 213 Cb -0.52 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.21 3kfk s LEU 213 CO 0.63 -0.60 0.77 -0.69 -1.32 0.00 0.00 176.35 175.14 3kfk s VAL 214 N 1.30 4.95 -1.51 1.68 1.01 -1.05 -4.96 120.40 121.81 3kfk s VAL 214 Ca 0.06 1.55 -0.13 0.00 0.00 0.00 0.00 61.98 63.46 3kfk s VAL 214 Cb -0.24 -4.10 -0.00 0.00 0.00 0.00 0.00 36.38 32.04 3kfk s VAL 214 CO -0.01 0.12 2.47 -0.67 0.00 0.00 0.00 175.10 177.01 3kfk n ASP 215 N 4.63 5.55 -3.23 3.32 2.03 -1.26 -2.16 116.55 125.42 3kfk n ASP 215 Ca 0.02 -2.76 -0.11 0.00 0.52 0.00 0.00 54.79 52.47 3kfk n ASP 215 Cb 0.50 -1.62 -0.01 0.00 -0.72 0.00 0.00 41.12 39.27 3kfk n ASP 215 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 3kfk s LYS 216 N 2.80 2.01 0.00 -0.67 2.20 -1.26 -5.02 119.74 119.80 3kfk s LYS 216 Ca 0.55 -1.49 0.00 0.00 -0.36 0.00 0.00 55.97 54.67 3kfk s LYS 216 Cb 0.15 0.55 0.00 0.00 -1.51 0.00 0.00 37.83 37.02 3kfk s LYS 216 CO -0.08 -0.90 0.00 0.39 -0.36 0.00 0.00 175.35 174.40 3kfk n GLU 217 N -0.52 3.89 -3.62 4.03 1.02 -1.26 -3.23 120.64 120.95 3kfk n GLU 217 Ca -0.04 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.74 3kfk n GLU 217 Cb 0.61 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.97 3kfk n GLU 217 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3kfk s ARG 218 N 1.24 3.73 0.46 3.49 1.70 -1.26 -4.64 118.95 123.67 3kfk s ARG 218 Ca 0.00 0.15 0.23 0.00 -0.47 0.00 0.00 55.73 55.64 3kfk s ARG 218 Cb 0.00 -3.07 1.09 0.00 -0.57 0.00 0.00 34.95 32.40 3kfk s ARG 218 CO 0.00 0.62 1.92 -0.24 -1.08 0.00 0.00 175.30 176.51 3kfk h VAL 219 N 3.13 0.70 -3.74 4.99 3.04 -1.45 -3.43 116.25 119.48 3kfk h VAL 219 Ca -0.50 -0.95 -0.27 0.00 -1.01 0.00 0.00 66.70 63.96 3kfk h VAL 219 Cb 1.20 1.60 -0.29 0.00 -2.01 0.00 0.00 31.29 31.79 3kfk h VAL 219 CO 0.65 0.22 -0.73 -0.55 -1.01 0.00 0.00 177.57 176.14 3kfk s SER 220 N -6.30 0.23 0.08 3.17 0.15 -1.26 -5.02 113.70 104.75 3kfk s SER 220 Ca -0.01 -0.03 0.17 0.00 0.70 0.00 0.00 55.95 56.78 3kfk s SER 220 Cb 0.12 -0.05 0.73 0.00 -1.71 0.00 0.00 66.02 65.11 3kfk s SER 220 CO 0.63 -0.00 1.54 0.00 1.20 0.00 0.00 173.24 176.61 3kfk n ALA 221 N 3.23 1.65 0.11 5.45 0.00 -1.26 -2.40 120.51 127.29 3kfk n ALA 221 Ca -0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.25 3kfk n ALA 221 Cb 0.58 -1.28 0.15 0.00 0.00 0.00 0.00 19.45 18.90 3kfk n ALA 221 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3kfk h GLN 222 N 0.00 0.12 -6.93 0.00 4.15 -1.96 -3.45 115.11 107.03 3kfk h GLN 222 Ca 0.00 -0.08 -0.51 0.00 0.77 0.00 0.00 58.65 58.83 3kfk h GLN 222 Cb 0.28 0.01 0.05 0.00 0.21 0.00 0.00 27.48 28.04 3kfk h GLN 222 CO 0.00 0.69 0.52 -1.64 -1.93 0.00 0.00 178.83 176.47 3kfk s MET 223 N -3.69 4.08 0.33 1.69 -1.94 -1.01 -5.03 119.30 113.73 3kfk s MET 223 Ca -0.03 1.89 -0.05 0.00 -1.71 0.00 0.00 55.69 55.79 3kfk s MET 223 Cb 0.12 -2.72 0.08 0.00 2.01 0.00 0.00 34.83 34.32 3kfk s MET 223 CO 0.78 -0.31 0.29 -2.30 -0.01 0.00 0.00 175.02 173.47 3kfk n PRO 224 N 0.15 -1.57 0.00 2.03 -0.02 -1.26 -5.01 135.00 129.32 3kfk n PRO 224 Ca 0.04 -0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.05 3kfk n PRO 224 Cb 0.46 -0.44 0.00 0.00 -0.02 0.00 0.00 33.50 33.50 3kfk n PRO 224 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3kfk n LYS 225 N -2.39 3.20 -3.59 -0.52 4.81 -1.26 -4.96 118.16 113.45 3kfk n LYS 225 Ca 0.04 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.39 3kfk n LYS 225 Cb 0.16 -0.96 -0.09 0.00 0.02 0.00 0.00 35.03 34.16 3kfk n LYS 225 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3kfk s LYS 226 N -1.91 0.32 0.45 1.64 2.20 -1.26 -3.24 119.74 117.94 3kfk s LYS 226 Ca 0.00 0.92 0.08 0.00 -0.36 0.00 0.00 55.97 56.61 3kfk s LYS 226 Cb 0.00 0.16 0.02 0.00 -1.51 0.00 0.00 37.83 36.50 3kfk s LYS 226 CO 0.00 -0.33 0.62 0.08 -0.36 0.00 0.00 175.35 175.36 3kfk s VAL 227 N 2.59 2.84 -0.11 4.02 1.01 -1.21 -5.01 120.40 124.53 3kfk s VAL 227 Ca 0.02 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.04 3kfk s VAL 227 Cb -0.13 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 3kfk s VAL 227 CO -0.13 0.00 -0.19 -0.89 0.00 0.00 0.00 175.10 173.89 3kfk s THR 228 N -2.43 2.53 -1.00 3.92 2.01 -1.26 -4.24 115.64 115.17 3kfk s THR 228 Ca 0.56 -0.85 -0.06 0.00 0.31 0.00 0.00 61.69 61.65 3kfk s THR 228 Cb -0.09 -2.02 -0.05 0.00 0.01 0.00 0.00 72.50 70.34 3kfk s THR 228 CO 0.34 0.54 0.87 0.47 -0.69 0.00 0.00 174.62 176.16 3kfk n ASP 229 N 3.53 -6.75 -4.81 3.53 8.00 -1.25 -4.98 116.55 113.81 3kfk n ASP 229 Ca -0.19 -0.62 -0.38 0.00 0.71 0.00 0.00 54.79 54.31 3kfk n ASP 229 Cb 0.53 -5.08 -0.06 0.00 -0.02 0.00 0.00 41.12 36.49 3kfk n ASP 229 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kfk s ALA 230 N -3.32 3.49 -0.24 2.24 0.00 -1.25 -5.02 121.76 117.66 3kfk s ALA 230 Ca 0.38 0.15 -0.09 0.00 0.00 0.00 0.00 51.96 52.39 3kfk s ALA 230 Cb -0.06 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 3kfk s ALA 230 CO 0.75 0.35 0.13 0.15 0.00 0.00 0.00 175.76 177.15 3kfk s LYS 231 N -1.49 3.94 -0.24 0.00 3.01 -1.26 -3.51 119.74 120.20 3kfk s LYS 231 Ca 0.36 -0.34 -0.05 0.00 -1.01 0.00 0.00 55.97 54.93 3kfk s LYS 231 Cb -0.19 -3.47 -0.01 0.00 -1.01 0.00 0.00 37.83 33.15 3kfk s LYS 231 CO 0.22 -0.01 0.01 0.42 0.51 0.00 0.00 175.35 176.49 3kfk s ILE 232 N 1.22 3.73 -0.37 2.17 1.01 -0.83 -2.00 121.20 126.13 3kfk s ILE 232 Ca 0.06 -0.41 -0.16 0.00 0.00 0.00 0.00 60.65 60.14 3kfk s ILE 232 Cb -0.14 -2.74 0.00 0.00 0.01 0.00 0.00 42.46 39.59 3kfk s ILE 232 CO 0.05 0.36 0.39 0.00 0.00 0.00 0.00 174.94 175.74 3kfk s ALA 233 N 1.52 3.47 -0.49 9.38 0.00 -0.20 -1.60 121.76 133.85 3kfk s ALA 233 Ca 0.06 -1.34 -0.22 0.00 0.00 0.00 0.00 51.96 50.46 3kfk s ALA 233 Cb -0.15 -2.91 0.04 0.00 0.00 0.00 0.00 23.12 20.10 3kfk s ALA 233 CO -0.00 -1.27 0.74 -0.51 0.00 0.00 0.00 175.76 174.71 3kfk s LEU 234 N 2.05 4.48 -0.19 0.00 1.02 -1.26 -1.90 118.68 122.88 3kfk s LEU 234 Ca 0.12 -0.47 -0.06 0.00 0.02 0.00 0.00 54.13 53.74 3kfk s LEU 234 Cb -0.17 -2.72 -0.03 0.00 0.02 0.00 0.00 46.19 43.29 3kfk s LEU 234 CO 0.12 -0.96 0.03 -0.76 0.02 0.00 0.00 176.35 174.81 3kfk s LEU 235 N 3.15 3.56 -0.05 1.79 1.43 -0.44 -1.53 118.68 126.60 3kfk s LEU 235 Ca 0.24 -0.04 0.10 0.00 -1.03 0.00 0.00 54.13 53.40 3kfk s LEU 235 Cb -0.15 -1.90 -0.23 0.00 0.03 0.00 0.00 46.19 43.94 3kfk s LEU 235 CO 0.18 0.13 0.64 -3.20 0.23 0.00 0.00 176.35 174.32 3kfk n ASN 236 N 3.84 1.02 -4.81 2.29 5.15 0.19 -1.67 115.26 121.28 3kfk n ASN 236 Ca -0.17 0.40 -0.33 0.00 -0.60 0.00 0.00 54.58 53.88 3kfk n ASN 236 Cb 0.52 -0.17 -0.02 0.00 -0.53 0.00 0.00 39.78 39.59 3kfk n ASN 236 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kfk s ALA 238 N -2.26 3.34 -1.07 0.00 0.00 -1.26 -4.67 121.76 115.84 3kfk s ALA 238 Ca 0.64 0.66 -0.03 0.00 0.00 0.00 0.00 51.96 53.23 3kfk s ALA 238 Cb -0.15 -3.24 0.21 0.00 0.00 0.00 0.00 23.12 19.95 3kfk s ALA 238 CO 0.28 0.12 2.17 -0.89 0.00 0.00 0.00 175.76 177.44 3kfk n ILE 239 N 1.59 5.25 -2.83 0.00 5.41 -1.24 -4.98 119.36 122.56 3kfk n ILE 239 Ca -0.01 -4.85 -0.15 0.00 1.00 0.00 0.00 62.75 58.74 3kfk n ILE 239 Cb 0.47 -1.74 0.06 0.00 -0.71 0.00 0.00 39.64 37.72 3kfk n ILE 239 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3kfk n GLU 240 N 0.72 0.46 -0.80 0.38 1.02 -1.26 -3.55 120.64 117.61 3kfk n GLU 240 Ca 0.54 -2.20 0.00 0.00 -0.02 0.00 0.00 57.16 55.48 3kfk n GLU 240 Cb 0.28 -0.30 0.00 0.00 -0.02 0.00 0.00 31.44 31.40 3kfk n GLU 240 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3kfk n GLU 263 N -2.11 0.00 0.00 3.49 -0.00 -1.26 -4.78 120.64 115.98 3kfk n GLU 263 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.28 3kfk n GLU 263 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.88 3kfk n GLU 263 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3kfk n THR 264 N 0.00 0.00 -2.04 3.84 -2.24 -1.26 -5.09 114.28 107.49 3kfk n THR 264 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 3kfk n THR 264 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 3kfk n THR 264 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kfk n ALA 265 N -3.00 2.82 -2.70 6.98 0.00 -1.26 -4.99 120.51 118.36 3kfk n ALA 265 Ca 0.00 -0.59 -0.15 0.00 0.00 0.00 0.00 53.44 52.70 3kfk n ALA 265 Cb 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 19.45 19.21 3kfk n ALA 265 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kfk n SER 266 N 0.04 2.31 -3.79 0.00 2.88 -1.26 -5.01 113.62 108.79 3kfk n SER 266 Ca -0.12 -3.05 -0.24 0.00 -1.33 0.00 0.00 58.87 54.13 3kfk n SER 266 Cb 0.66 -0.53 -0.02 0.00 -0.75 0.00 0.00 64.21 63.57 3kfk n SER 266 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 3kfk n GLU 267 N -0.13 -0.73 -0.22 -1.46 0.28 -1.26 -4.82 120.64 112.31 3kfk n GLU 267 Ca 0.19 -0.07 0.05 0.00 -0.16 0.00 0.00 57.16 57.17 3kfk n GLU 267 Cb 0.74 -1.57 0.16 0.00 1.43 0.00 0.00 31.44 32.20 3kfk n GLU 267 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 3kfk n MET 268 N -3.33 1.98 0.00 3.44 2.81 -1.26 -3.79 117.12 116.97 3kfk n MET 268 Ca -0.13 -1.33 0.04 0.00 -1.81 0.00 0.00 57.70 54.48 3kfk n MET 268 Cb 0.38 -1.36 -0.05 0.00 -0.71 0.00 0.00 33.22 31.48 3kfk n MET 268 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3kfk n LEU 269 N 0.52 0.48 0.27 4.03 4.32 -1.26 -4.49 117.00 120.87 3kfk n LEU 269 Ca 0.12 -0.52 0.12 0.00 -0.02 0.00 0.00 56.01 55.71 3kfk n LEU 269 Cb 0.36 0.00 0.79 0.00 -1.62 0.00 0.00 43.42 42.95 3kfk n LEU 269 CO 0.09 0.12 1.10 0.11 -1.22 0.00 0.00 177.39 177.59 3kfk h LYS 270 N 0.08 0.00 -0.02 3.23 1.57 -1.96 0.26 116.57 119.73 3kfk h LYS 270 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 3kfk h LYS 270 Cb 0.22 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.54 3kfk h LYS 270 CO 0.00 0.00 -0.47 -0.44 -0.57 0.00 0.00 179.45 177.97 3kfk h ASP 271 N 0.00 0.45 -0.57 0.86 3.45 -1.86 -2.94 116.42 115.81 3kfk h ASP 271 Ca 0.01 -0.73 -0.06 0.00 0.43 0.00 0.00 57.03 56.67 3kfk h ASP 271 Cb 0.03 -0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 38.64 3kfk h ASP 271 CO -0.00 1.12 0.13 0.24 -1.57 0.00 0.00 179.24 179.16 3kfk h MET 272 N -0.18 0.96 -0.25 3.56 2.86 -1.39 -0.32 114.93 120.16 3kfk h MET 272 Ca -0.05 -0.22 -0.17 0.00 -2.06 0.00 0.00 59.70 57.20 3kfk h MET 272 Cb 1.17 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.70 3kfk h MET 272 CO 0.09 0.86 -0.51 0.28 1.06 0.00 0.00 176.91 178.70 3kfk h VAL 273 N 0.91 1.29 0.00 -2.22 2.07 -0.69 -3.08 116.25 114.54 3kfk h VAL 273 Ca 0.19 -1.71 -0.09 0.00 0.82 0.00 0.00 66.70 65.91 3kfk h VAL 273 Cb 0.35 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 3kfk h VAL 273 CO 0.00 0.55 -0.45 0.00 0.02 0.00 0.00 177.57 177.69 3kfk h ALA 274 N 0.64 1.21 -0.04 1.67 0.00 -1.31 -1.71 119.26 119.72 3kfk h ALA 274 Ca 0.01 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 3kfk h ALA 274 Cb 1.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3kfk h ALA 274 CO 0.11 0.56 -0.46 0.93 0.00 0.00 0.00 179.25 180.40 3kfk h GLU 275 N 0.00 0.09 -0.01 0.00 5.08 -1.06 0.20 114.58 118.89 3kfk h GLU 275 Ca -0.00 -0.05 -0.22 0.00 -1.00 0.00 0.00 59.36 58.09 3kfk h GLU 275 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3kfk h GLU 275 CO 0.06 0.53 -0.92 0.82 -1.00 0.00 0.00 179.01 178.50 3kfk h ILE 276 N 0.08 1.41 0.00 3.13 2.04 -1.40 -3.16 117.51 119.59 3kfk h ILE 276 Ca 0.00 -2.44 -0.06 0.00 1.00 0.00 0.00 64.86 63.36 3kfk h ILE 276 Cb 0.84 2.40 -0.01 0.00 -0.74 0.00 0.00 36.82 39.31 3kfk h ILE 276 CO 0.06 0.73 -0.30 0.50 0.00 0.00 0.00 178.15 179.14 3kfk h LYS 277 N 0.23 0.00 -0.30 2.37 3.64 -0.96 -3.00 116.57 118.54 3kfk h LYS 277 Ca -0.07 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 3kfk h LYS 277 Cb 1.55 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.36 3kfk h LYS 277 CO 0.16 0.30 -0.12 0.00 -2.27 0.00 0.00 179.45 177.52 3kfk h ALA 278 N 1.70 1.25 -0.01 5.00 0.00 -0.57 -2.96 119.26 123.66 3kfk h ALA 278 Ca -0.00 -0.27 -0.25 0.00 0.00 0.00 0.00 54.91 54.39 3kfk h ALA 278 Cb 0.76 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.43 3kfk h ALA 278 CO 0.04 0.49 -1.00 0.66 0.00 0.00 0.00 179.25 179.44 3kfk h SER 279 N 0.46 0.81 -0.11 0.00 4.64 -1.57 -3.48 113.55 114.30 3kfk h SER 279 Ca 0.09 -0.64 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 3kfk h SER 279 Cb 0.49 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3kfk h SER 279 CO 0.03 1.44 0.00 0.61 -0.87 0.00 0.00 176.83 178.04 3kfk n GLY 280 N 1.02 0.67 3.22 -0.77 0.00 -1.12 -4.55 105.19 103.65 3kfk n GLY 280 Ca -0.10 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 3kfk n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfk s ALA 281 N -1.46 2.81 -0.49 4.61 0.00 -1.23 -4.73 121.76 121.27 3kfk s ALA 281 Ca 0.00 -1.55 0.24 0.00 0.00 0.00 0.00 51.96 50.64 3kfk s ALA 281 Cb 0.00 -1.86 0.42 0.00 0.00 0.00 0.00 23.12 21.68 3kfk s ALA 281 CO 0.00 -0.98 1.61 -2.95 0.00 0.00 0.00 175.76 173.43 3kfk h ASN 282 N 8.05 0.00 -3.80 0.00 7.08 -1.85 -3.45 115.58 121.62 3kfk h ASN 282 Ca -0.29 -0.00 -0.68 0.00 -3.08 0.00 0.00 56.30 52.25 3kfk h ASN 282 Cb 1.10 0.00 -0.27 0.00 -2.08 0.00 0.00 38.32 37.07 3kfk h ASN 282 CO 0.57 0.00 -0.80 -0.69 -2.08 0.00 0.00 177.43 174.43 3kfk s VAL 283 N -3.19 2.79 -0.14 6.14 1.01 -0.85 -1.38 120.40 124.78 3kfk s VAL 283 Ca 0.07 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 3kfk s VAL 283 Cb 0.07 -2.10 0.05 0.00 0.00 0.00 0.00 36.38 34.39 3kfk s VAL 283 CO 0.66 0.56 0.01 -0.22 0.00 0.00 0.00 175.10 176.12 3kfk s LEU 284 N -0.24 0.98 -0.37 3.92 2.96 -0.08 -1.03 118.68 124.83 3kfk s LEU 284 Ca 0.00 -0.51 -0.12 0.00 -0.22 0.00 0.00 54.13 53.28 3kfk s LEU 284 Cb -0.13 -0.57 0.01 0.00 0.50 0.00 0.00 46.19 46.01 3kfk s LEU 284 CO 0.03 -0.25 0.23 -0.36 -1.32 0.00 0.00 176.35 174.68 3kfk s PHE 285 N 1.88 3.23 -0.17 5.38 0.40 -0.80 -2.41 117.98 125.49 3kfk s PHE 285 Ca 0.02 -0.71 -0.06 0.00 -0.60 0.00 0.00 56.93 55.58 3kfk s PHE 285 Cb -0.15 -2.47 -0.04 0.00 0.51 0.00 0.00 43.02 40.88 3kfk s PHE 285 CO -0.07 -0.56 0.02 0.00 0.70 0.00 0.00 175.22 175.31 3kfk h GLN 287 N 6.71 0.40 0.00 0.00 4.15 -1.57 -3.01 115.11 121.79 3kfk h GLN 287 Ca -0.35 -0.52 0.00 0.00 0.77 0.00 0.00 58.65 58.56 3kfk h GLN 287 Cb 1.18 0.17 0.00 0.00 0.21 0.00 0.00 27.48 29.03 3kfk h GLN 287 CO 0.67 1.19 0.00 1.63 -1.93 0.00 0.00 178.83 180.39 3kfk n LYS 288 N -3.69 1.35 -3.24 1.69 4.76 -1.26 -3.82 118.16 113.95 3kfk n LYS 288 Ca -0.08 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 54.97 3kfk n LYS 288 Cb 0.92 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 34.05 3kfk n LYS 288 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3kfk s GLY 289 N -1.75 2.63 -0.21 0.72 0.00 -1.26 -2.05 107.32 105.40 3kfk s GLY 289 Ca 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 44.72 44.64 3kfk s GLY 289 CO 0.00 0.62 0.13 -0.42 0.00 0.00 0.00 173.10 173.42 3kfk s ILE 290 N -0.58 5.25 0.60 0.90 1.01 -1.26 -3.66 121.20 123.45 3kfk s ILE 290 Ca 0.30 0.14 -0.15 0.00 0.00 0.00 0.00 60.65 60.93 3kfk s ILE 290 Cb -0.19 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 3kfk s ILE 290 CO 0.18 0.41 1.05 -0.62 0.00 0.00 0.00 174.94 175.95 3kfk s ASP 291 N 0.65 5.82 0.44 3.58 -1.08 -1.23 -4.91 116.67 119.94 3kfk s ASP 291 Ca 0.07 1.78 0.12 0.00 -0.52 0.00 0.00 52.55 54.00 3kfk s ASP 291 Cb -0.12 -2.53 0.98 0.00 -1.46 0.00 0.00 42.92 39.79 3kfk s ASP 291 CO 0.01 -1.14 2.02 -0.78 0.52 0.00 0.00 175.17 175.80 3kfk h ASP 292 N 0.37 0.14 -0.39 -0.34 -0.00 -1.98 -2.31 116.42 111.91 3kfk h ASP 292 Ca -0.47 -0.02 -0.12 0.00 -0.00 0.00 0.00 57.03 56.42 3kfk h ASP 292 Cb 1.22 -0.04 -0.01 0.00 -0.00 0.00 0.00 39.33 40.50 3kfk h ASP 292 CO 0.58 0.23 -0.24 -0.07 -0.00 0.00 0.00 179.24 179.74 3kfk h LEU 293 N 0.16 0.89 -1.51 2.28 3.38 -1.95 -3.02 115.31 115.54 3kfk h LEU 293 Ca 0.04 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.54 3kfk h LEU 293 Cb 0.20 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3kfk h LEU 293 CO 0.01 1.12 -0.22 0.00 0.09 0.00 0.00 178.44 179.43 3kfk h ALA 294 N 0.80 1.23 -0.65 1.53 0.00 -1.75 -2.92 119.26 117.50 3kfk h ALA 294 Ca 0.08 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3kfk h ALA 294 Cb 0.80 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3kfk h ALA 294 CO 0.07 0.28 0.17 1.96 0.00 0.00 0.00 179.25 181.73 3kfk h GLN 295 N 0.00 1.02 -0.27 0.00 4.20 -1.33 -1.24 115.11 117.50 3kfk h GLN 295 Ca -0.00 -0.22 -0.10 0.00 0.06 0.00 0.00 58.65 58.39 3kfk h GLN 295 Cb 0.54 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 3kfk h GLN 295 CO 0.03 0.89 -0.21 1.25 -0.67 0.00 0.00 178.83 180.12 3kfk h HIS 296 N 0.98 0.73 -0.13 2.96 2.76 -1.52 -2.91 115.15 118.01 3kfk h HIS 296 Ca 0.21 -0.21 -0.19 0.00 -2.20 0.00 0.00 60.37 57.98 3kfk h HIS 296 Cb 0.32 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.12 3kfk h HIS 296 CO 0.02 0.91 -0.69 1.88 -1.30 0.00 0.00 177.93 178.75 3kfk h TYR 297 N 0.34 0.74 -0.47 5.26 0.05 -1.47 0.16 116.97 121.59 3kfk h TYR 297 Ca 0.05 -0.31 -0.11 0.00 0.05 0.00 0.00 58.73 58.41 3kfk h TYR 297 Cb 0.76 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.36 3kfk h TYR 297 CO 0.07 1.08 -0.15 -0.07 -1.05 0.00 0.00 178.16 178.05 3kfk h LEU 298 N 0.40 0.89 -0.66 3.88 3.38 -1.33 -2.37 115.31 119.50 3kfk h LEU 298 Ca -0.03 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 3kfk h LEU 298 Cb 1.28 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3kfk h LEU 298 CO 0.13 1.03 -0.23 0.00 0.09 0.00 0.00 178.44 179.46 3kfk h ALA 299 N 1.04 0.93 -0.12 1.53 0.00 -1.44 0.11 119.26 121.30 3kfk h ALA 299 Ca 0.12 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3kfk h ALA 299 Cb 0.67 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3kfk h ALA 299 CO 0.05 0.28 -0.52 -0.22 0.00 0.00 0.00 179.25 178.84 3kfk h LYS 300 N 0.00 0.34 0.18 0.00 3.64 -0.63 -3.18 116.57 116.92 3kfk h LYS 300 Ca -0.00 -0.20 -0.32 0.00 -1.27 0.00 0.00 60.65 58.86 3kfk h LYS 300 Cb 0.93 0.02 0.03 0.00 -0.41 0.00 0.00 32.23 32.80 3kfk h LYS 300 CO 0.03 0.78 -1.36 0.93 -2.27 0.00 0.00 179.45 177.56 3kfk h GLU 301 N 0.26 0.58 0.00 1.90 4.39 -1.34 -3.48 114.58 116.89 3kfk h GLU 301 Ca 0.01 -0.86 0.00 0.00 0.34 0.00 0.00 59.36 58.84 3kfk h GLU 301 Cb 1.01 0.30 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 3kfk h GLU 301 CO 0.09 1.40 0.00 0.41 -1.16 0.00 0.00 179.01 179.75 3kfk n GLY 302 N 1.54 1.21 3.72 -3.84 0.00 -0.82 -5.12 105.19 101.88 3kfk n GLY 302 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 3kfk n GLY 302 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kfk s ILE 303 N -2.00 4.87 -0.19 -0.61 1.01 0.32 -4.79 121.20 119.81 3kfk s ILE 303 Ca 0.00 1.69 -0.10 0.00 0.00 0.00 0.00 60.65 62.25 3kfk s ILE 303 Cb 0.00 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 3kfk s ILE 303 CO 0.00 0.27 0.12 -0.69 0.00 0.00 0.00 174.94 174.65 3kfk s VAL 304 N 0.52 5.36 0.17 2.92 1.01 -0.48 -3.79 120.40 126.12 3kfk s VAL 304 Ca 0.42 0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.65 3kfk s VAL 304 Cb -0.20 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 3kfk s VAL 304 CO 0.23 0.46 -0.16 0.00 0.00 0.00 0.00 175.10 175.62 3kfk s ALA 305 N 0.25 1.95 -0.04 5.51 0.00 -1.26 -0.90 121.76 127.27 3kfk s ALA 305 Ca 0.08 -1.53 0.01 0.00 0.00 0.00 0.00 51.96 50.53 3kfk s ALA 305 Cb -0.11 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.89 3kfk s ALA 305 CO -0.01 0.16 -0.05 0.00 0.00 0.00 0.00 175.76 175.85 3kfk s ALA 306 N -2.39 0.66 -0.17 0.00 0.00 -1.01 -1.00 121.76 117.85 3kfk s ALA 306 Ca 0.17 -0.09 -0.08 0.00 0.00 0.00 0.00 51.96 51.96 3kfk s ALA 306 Cb -0.04 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 3kfk s ALA 306 CO 0.06 0.03 0.10 -0.98 0.00 0.00 0.00 175.76 174.97 3kfk s ARG 307 N 0.71 3.89 -0.92 0.00 1.70 -1.26 -2.52 118.95 120.54 3kfk s ARG 307 Ca -0.10 -0.25 -0.04 0.00 -0.47 0.00 0.00 55.73 54.88 3kfk s ARG 307 Cb -0.13 -3.27 -0.04 0.00 -0.57 0.00 0.00 34.95 30.94 3kfk s ARG 307 CO 0.00 0.42 0.80 0.54 -1.08 0.00 0.00 175.30 175.98 3kfk n ARG 308 N 3.10 -2.92 -2.81 3.89 1.74 -0.87 -5.01 116.66 113.78 3kfk n ARG 308 Ca -0.17 0.73 -0.40 0.00 -0.77 0.00 0.00 57.85 57.23 3kfk n ARG 308 Cb 0.53 -5.21 -0.05 0.00 -1.02 0.00 0.00 32.46 26.70 3kfk n ARG 308 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kfk s VAL 309 N -3.32 4.43 0.45 1.55 1.01 -1.16 -5.02 120.40 118.34 3kfk s VAL 309 Ca 0.28 1.95 -0.24 0.00 0.00 0.00 0.00 61.98 63.98 3kfk s VAL 309 Cb -0.04 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 31.98 3kfk s VAL 309 CO 0.62 0.39 1.02 0.29 0.00 0.00 0.00 175.10 177.43 3kfk n LYS 310 N 2.37 1.34 0.20 2.72 4.76 -1.26 -4.66 118.16 123.64 3kfk n LYS 310 Ca -0.00 0.49 0.06 0.00 -2.87 0.00 0.00 58.31 55.98 3kfk n LYS 310 Cb 0.49 -2.09 0.54 0.00 -1.84 0.00 0.00 35.03 32.13 3kfk n LYS 310 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 3kfk h LYS 311 N 1.45 0.08 -0.42 1.97 3.64 -1.95 -1.67 116.57 119.67 3kfk h LYS 311 Ca -0.45 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 58.80 3kfk h LYS 311 Cb 1.34 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 3kfk h LYS 311 CO 0.56 0.15 -0.20 0.66 -2.27 0.00 0.00 179.45 178.35 3kfk h SER 312 N 0.08 0.84 1.06 4.20 4.64 -2.01 -3.00 113.55 119.36 3kfk h SER 312 Ca 0.02 -0.30 -0.11 0.00 -0.47 0.00 0.00 61.79 60.93 3kfk h SER 312 Cb 0.16 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 3kfk h SER 312 CO 0.01 1.02 -0.55 0.44 -0.87 0.00 0.00 176.83 176.88 3kfk h ASP 313 N 0.73 0.00 -0.04 4.97 3.32 -1.69 -2.97 116.42 120.74 3kfk h ASP 313 Ca 0.10 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.01 3kfk h ASP 313 Cb 0.72 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3kfk h ASP 313 CO 0.06 0.55 -0.47 0.24 -1.72 0.00 0.00 179.24 177.90 3kfk h MET 314 N 0.00 0.59 0.00 3.56 2.86 -1.32 -1.85 114.93 118.76 3kfk h MET 314 Ca -0.01 -0.33 -0.08 0.00 -2.06 0.00 0.00 59.70 57.22 3kfk h MET 314 Cb 1.22 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.89 3kfk h MET 314 CO 0.07 0.93 -0.40 0.93 1.06 0.00 0.00 176.91 179.50 3kfk h GLU 315 N 0.47 0.00 -0.18 1.72 5.08 -1.52 -2.70 114.58 117.46 3kfk h GLU 315 Ca 0.03 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 3kfk h GLU 315 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3kfk h GLU 315 CO 0.09 0.40 -0.39 0.87 -1.00 0.00 0.00 179.01 178.98 3kfk h LYS 316 N 0.00 0.57 -0.02 2.33 1.79 -1.34 -3.24 116.57 116.66 3kfk h LYS 316 Ca -0.00 -0.38 -0.09 0.00 -2.18 0.00 0.00 60.65 57.99 3kfk h LYS 316 Cb 0.93 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.62 3kfk h LYS 316 CO 0.05 1.00 -0.41 -0.07 -1.08 0.00 0.00 179.45 178.94 3kfk h LEU 317 N 0.23 0.05 -0.64 2.94 3.38 -1.27 -2.36 115.31 117.63 3kfk h LEU 317 Ca 0.00 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 3kfk h LEU 317 Cb 0.99 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3kfk h LEU 317 CO 0.09 0.45 -0.58 0.00 0.09 0.00 0.00 178.44 178.48 3kfk h ALA 318 N 1.55 0.84 0.00 1.53 0.00 -1.55 -3.07 119.26 118.56 3kfk h ALA 318 Ca 0.00 -0.53 -0.25 0.00 0.00 0.00 0.00 54.91 54.13 3kfk h ALA 318 Cb 0.74 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3kfk h ALA 318 CO 0.05 0.71 -1.77 1.63 0.00 0.00 0.00 179.25 179.87 3kfk n LYS 319 N -3.90 0.64 -0.04 0.00 5.02 -1.18 -0.38 118.16 118.32 3kfk n LYS 319 Ca -0.02 0.18 -0.13 0.00 -2.02 0.00 0.00 58.31 56.31 3kfk n LYS 319 Cb 0.61 -1.72 -0.11 0.00 -0.02 0.00 0.00 35.03 33.78 3kfk n LYS 319 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kfk h ALA 320 N 1.20 -0.02 0.00 7.82 0.00 -1.52 -3.35 119.26 123.40 3kfk h ALA 320 Ca -0.29 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.22 3kfk h ALA 320 Cb 1.86 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 3kfk h ALA 320 CO 0.05 -0.09 -0.53 1.79 0.00 0.00 0.00 179.25 180.47 3kfk h THR 321 N -0.85 0.10 -1.52 0.00 1.35 -1.76 -3.48 112.91 106.75 3kfk h THR 321 Ca -0.00 -1.15 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 3kfk h THR 321 Cb 0.78 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 3kfk h THR 321 CO 0.00 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 3kfk n GLY 322 N 1.16 0.61 3.58 5.82 0.00 -1.19 -0.81 105.19 114.36 3kfk n GLY 322 Ca 0.01 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 3kfk n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfk s ALA 323 N -2.42 3.00 -0.13 4.61 0.00 0.49 -3.77 121.76 123.54 3kfk s ALA 323 Ca 0.00 -1.69 -0.01 0.00 0.00 0.00 0.00 51.96 50.25 3kfk s ALA 323 Cb 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 3kfk s ALA 323 CO 0.00 0.30 -0.09 -0.80 0.00 0.00 0.00 175.76 175.17 3kfk s ASN 324 N -3.50 4.34 -0.40 0.00 0.01 -0.23 -4.58 114.94 110.60 3kfk s ASN 324 Ca 0.30 -0.22 -0.29 0.00 -0.71 0.00 0.00 52.86 51.93 3kfk s ASN 324 Cb -0.06 -1.60 0.02 0.00 0.41 0.00 0.00 41.25 40.01 3kfk s ASN 324 CO 0.18 0.19 1.23 -0.69 -1.51 0.00 0.00 177.10 176.49 3kfk s VAL 325 N 0.21 4.17 -0.19 1.60 1.01 -1.26 -4.32 120.40 121.62 3kfk s VAL 325 Ca -0.06 1.26 -0.07 0.00 0.00 0.00 0.00 61.98 63.12 3kfk s VAL 325 Cb -0.15 -4.39 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 3kfk s VAL 325 CO 0.04 -0.75 0.04 -0.63 0.00 0.00 0.00 175.10 173.80 3kfk s ILE 326 N 4.53 4.49 -0.22 2.22 -1.09 -0.58 -4.88 121.20 125.67 3kfk s ILE 326 Ca 0.52 -0.13 0.15 0.00 -2.23 0.00 0.00 60.65 58.96 3kfk s ILE 326 Cb -0.11 -3.03 0.70 0.00 -1.58 0.00 0.00 42.46 38.44 3kfk s ILE 326 CO 0.27 0.44 1.62 0.41 -1.23 0.00 0.00 174.94 176.46 3kfk n THR 327 N 3.83 2.59 -3.67 2.92 -1.04 -1.26 0.55 114.28 118.20 3kfk n THR 327 Ca -0.17 -1.63 -0.08 0.00 -2.04 0.00 0.00 64.05 60.13 3kfk n THR 327 Cb 0.52 -0.28 -0.09 0.00 -1.82 0.00 0.00 70.33 68.66 3kfk n THR 327 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3kfk s ASN 328 N -1.29 -0.39 0.52 8.00 2.47 -1.26 -4.45 114.94 118.54 3kfk s ASN 328 Ca 0.50 1.02 0.31 0.00 0.42 0.00 0.00 52.86 55.11 3kfk s ASN 328 Cb 0.39 1.27 1.18 0.00 -1.45 0.00 0.00 41.25 42.64 3kfk s ASN 328 CO 0.13 -0.22 1.91 -0.29 -3.72 0.00 0.00 177.10 174.91 3kfk h ILE 329 N 5.97 0.00 0.00 -5.21 2.10 -1.94 -3.03 117.51 115.41 3kfk h ILE 329 Ca -0.21 -0.59 -0.05 0.00 1.08 0.00 0.00 64.86 65.09 3kfk h ILE 329 Cb 1.13 1.58 -0.01 0.00 -1.09 0.00 0.00 36.82 38.43 3kfk h ILE 329 CO 0.16 0.00 -0.24 0.11 -1.08 0.00 0.00 178.15 177.10 3kfk h LYS 330 N 0.00 0.00 -0.22 2.19 1.79 -1.97 -3.30 116.57 115.06 3kfk h LYS 330 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3kfk h LYS 330 Cb 0.59 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 3kfk h LYS 330 CO 0.00 0.24 0.00 -3.47 -1.08 0.00 0.00 179.45 175.14 3kfk n ASP 331 N -3.23 3.34 -4.62 0.86 4.64 -1.15 -5.00 116.55 111.39 3kfk n ASP 331 Ca 0.02 -2.76 -0.43 0.00 -1.38 0.00 0.00 54.79 50.24 3kfk n ASP 331 Cb 0.54 -0.43 -0.03 0.00 -1.04 0.00 0.00 41.12 40.17 3kfk n ASP 331 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 3kfk s LEU 332 N -2.35 3.80 0.21 -2.67 2.96 -1.24 -4.99 118.68 114.41 3kfk s LEU 332 Ca 0.34 1.68 0.05 0.00 -0.22 0.00 0.00 54.13 55.98 3kfk s LEU 332 Cb 0.27 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.39 3kfk s LEU 332 CO 0.09 -1.43 0.25 -0.55 -1.32 0.00 0.00 176.35 173.39 3kfk s SER 333 N 5.16 5.89 0.48 3.68 0.15 -1.26 -4.68 113.70 123.12 3kfk s SER 333 Ca 0.78 -0.06 0.27 0.00 0.70 0.00 0.00 55.95 57.65 3kfk s SER 333 Cb -0.27 -1.63 0.93 0.00 -1.71 0.00 0.00 66.02 63.34 3kfk s SER 333 CO 0.32 -0.01 1.82 0.00 1.20 0.00 0.00 173.24 176.57 3kfk h ALA 334 N 1.70 0.99 -0.04 5.45 0.00 -1.93 -2.87 119.26 122.55 3kfk h ALA 334 Ca -0.49 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3kfk h ALA 334 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3kfk h ALA 334 CO 0.63 0.12 0.00 1.04 0.00 0.00 0.00 179.25 181.04 3kfk n GLN 335 N -3.19 1.69 -0.21 0.00 3.00 -1.26 -3.56 117.38 113.84 3kfk n GLN 335 Ca 0.01 -1.00 0.12 0.00 -0.01 0.00 0.00 57.00 56.12 3kfk n GLN 335 Cb 0.42 -1.46 0.24 0.00 0.00 0.00 0.00 30.24 29.44 3kfk n GLN 335 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3kfk n ASP 336 N 0.22 3.43 -4.86 1.08 10.43 -1.08 -4.91 116.55 120.86 3kfk n ASP 336 Ca 0.18 -1.98 -0.36 0.00 2.57 0.00 0.00 54.79 55.20 3kfk n ASP 336 Cb 0.35 -0.28 -0.06 0.00 1.84 0.00 0.00 41.12 42.98 3kfk n ASP 336 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3kfk s LEU 337 N -1.41 4.40 0.57 0.64 1.43 -1.23 -1.07 118.68 122.01 3kfk s LEU 337 Ca 0.40 0.76 -0.03 0.00 -1.03 0.00 0.00 54.13 54.23 3kfk s LEU 337 Cb 0.23 -2.67 0.02 0.00 0.03 0.00 0.00 46.19 43.79 3kfk s LEU 337 CO 0.32 0.27 0.84 -0.83 0.23 0.00 0.00 176.35 177.18 3kfk s GLY 338 N -1.43 1.64 -0.17 -3.19 0.00 -0.63 -4.61 107.32 98.94 3kfk s GLY 338 Ca 0.27 -0.91 -0.00 0.00 0.00 0.00 0.00 44.72 44.07 3kfk s GLY 338 CO 0.14 -0.64 -0.07 -0.35 0.00 0.00 0.00 173.10 172.18 3kfk s ASP 339 N -4.33 2.88 0.35 1.64 2.15 0.01 -1.97 116.67 117.41 3kfk s ASP 339 Ca 0.54 -0.66 0.08 0.00 0.43 0.00 0.00 52.55 52.94 3kfk s ASP 339 Cb -0.10 -1.00 -0.04 0.00 -0.30 0.00 0.00 42.92 41.48 3kfk s ASP 339 CO 0.42 -0.16 0.16 0.00 -0.17 0.00 0.00 175.17 175.43 3kfk s ALA 340 N 1.58 3.54 -0.18 3.66 0.00 -1.23 -4.64 121.76 124.49 3kfk s ALA 340 Ca 0.01 -1.87 -0.11 0.00 0.00 0.00 0.00 51.96 49.99 3kfk s ALA 340 Cb -0.15 -0.71 -0.22 0.00 0.00 0.00 0.00 23.12 22.05 3kfk s ALA 340 CO -0.08 -0.01 0.18 0.41 0.00 0.00 0.00 175.76 176.27 3kfk n GLY 341 N -1.19 -0.62 2.87 0.00 0.00 -0.54 -3.81 105.19 101.91 3kfk n GLY 341 Ca -0.02 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 3kfk n GLY 341 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kfk s LEU 342 N -7.31 -0.16 -0.23 0.99 0.20 1.29 -3.89 118.68 109.57 3kfk s LEU 342 Ca -0.27 0.26 -0.03 0.00 0.69 0.00 0.00 54.13 54.78 3kfk s LEU 342 Cb 0.07 0.45 0.01 0.00 -0.43 0.00 0.00 46.19 46.29 3kfk s LEU 342 CO 0.67 -0.27 -0.06 -0.69 -0.29 0.00 0.00 176.35 175.71 3kfk s VAL 343 N 2.35 3.07 -0.10 1.68 1.01 -1.24 -0.64 120.40 126.52 3kfk s VAL 343 Ca 0.04 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 3kfk s VAL 343 Cb -0.13 -2.46 0.04 0.00 0.00 0.00 0.00 36.38 33.83 3kfk s VAL 343 CO -0.08 0.33 0.24 -0.70 0.00 0.00 0.00 175.10 174.89 3kfk s GLU 344 N 1.40 0.21 -1.16 2.72 2.12 -0.48 -3.29 118.70 120.22 3kfk s GLU 344 Ca 0.03 0.50 -0.15 0.00 0.36 0.00 0.00 54.97 55.71 3kfk s GLU 344 Cb -0.15 -0.09 0.15 0.00 0.26 0.00 0.00 34.13 34.29 3kfk s GLU 344 CO -0.04 -0.15 1.42 -2.00 -0.54 0.00 0.00 175.26 173.94 3kfk s GLU 345 N 1.12 3.98 0.27 4.30 2.12 -1.20 0.61 118.70 129.90 3kfk s GLU 345 Ca -0.08 -2.33 -0.22 0.00 0.36 0.00 0.00 54.97 52.69 3kfk s GLU 345 Cb -0.09 -5.10 -0.09 0.00 0.26 0.00 0.00 34.13 29.11 3kfk s GLU 345 CO -0.07 -1.84 0.82 1.03 -0.54 0.00 0.00 175.26 174.66 3kfk s ARG 346 N 2.17 4.39 -1.01 4.30 0.52 -1.06 -4.82 118.95 123.44 3kfk s ARG 346 Ca 0.42 1.06 -0.05 0.00 -0.52 0.00 0.00 55.73 56.65 3kfk s ARG 346 Cb -0.02 -2.83 0.11 0.00 0.52 0.00 0.00 34.95 32.73 3kfk s ARG 346 CO -0.01 0.34 2.48 1.63 0.02 0.00 0.00 175.30 179.76 3kfk n LYS 347 N 0.63 3.88 -2.45 3.54 5.02 -1.26 -1.77 118.16 125.76 3kfk n LYS 347 Ca -0.00 -3.16 -0.41 0.00 -2.02 0.00 0.00 58.31 52.72 3kfk n LYS 347 Cb 0.51 -2.45 -0.04 0.00 -0.02 0.00 0.00 35.03 33.03 3kfk n LYS 347 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3kfk s ILE 348 N -1.77 3.86 -1.35 -0.18 1.10 -0.98 -3.12 121.20 118.76 3kfk s ILE 348 Ca 0.55 1.50 -0.05 0.00 -0.51 0.00 0.00 60.65 62.14 3kfk s ILE 348 Cb 0.26 -3.96 0.03 0.00 0.15 0.00 0.00 42.46 38.94 3kfk s ILE 348 CO -0.15 0.21 0.37 -0.24 -2.11 0.00 0.00 174.94 173.02 3kfk n SER 349 N 2.90 -4.65 0.00 4.50 2.88 -1.26 -2.51 113.62 115.48 3kfk n SER 349 Ca 0.05 -0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 3kfk n SER 349 Cb 0.46 -3.84 0.00 0.00 -0.75 0.00 0.00 64.21 60.08 3kfk n SER 349 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kfk n GLY 350 N -1.18 2.21 3.73 0.46 0.00 -1.18 -5.00 105.19 104.23 3kfk n GLY 350 Ca -0.09 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 3kfk n GLY 350 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kfk s ASP 351 N 0.00 7.17 -0.54 1.61 1.01 -1.04 -4.88 116.67 120.00 3kfk s ASP 351 Ca 0.00 2.05 -0.23 0.00 0.71 0.00 0.00 52.55 55.09 3kfk s ASP 351 Cb 0.00 -2.59 0.05 0.00 1.01 0.00 0.00 42.92 41.38 3kfk s ASP 351 CO 0.00 -0.34 0.84 -0.94 0.21 0.00 0.00 175.17 174.94 3kfk s SER 352 N 0.45 6.30 0.19 0.27 1.04 -1.26 -2.32 113.70 118.37 3kfk s SER 352 Ca 0.54 -0.54 0.09 0.00 0.48 0.00 0.00 55.95 56.52 3kfk s SER 352 Cb -0.29 -2.39 -0.04 0.00 0.10 0.00 0.00 66.02 63.39 3kfk s SER 352 CO 0.32 -1.13 -0.19 -0.04 0.98 0.00 0.00 173.24 173.19 3kfk s MET 353 N 3.54 1.38 -0.40 4.02 -1.94 -0.73 -4.42 119.30 120.75 3kfk s MET 353 Ca 0.25 -1.50 -0.28 0.00 -1.71 0.00 0.00 55.69 52.46 3kfk s MET 353 Cb -0.15 -1.45 0.02 0.00 2.01 0.00 0.00 34.83 35.27 3kfk s MET 353 CO 0.17 0.29 1.06 0.42 -0.01 0.00 0.00 175.02 176.94 3kfk s ILE 354 N -2.16 4.40 -0.89 2.53 1.01 -0.92 -2.57 121.20 122.61 3kfk s ILE 354 Ca 0.19 1.34 -0.21 0.00 0.00 0.00 0.00 60.65 61.98 3kfk s ILE 354 Cb -0.05 -4.47 0.10 0.00 0.01 0.00 0.00 42.46 38.04 3kfk s ILE 354 CO 0.08 -0.73 1.16 -0.36 0.00 0.00 0.00 174.94 175.10 3kfk s PHE 355 N 3.94 2.88 -0.66 3.97 0.40 0.20 -2.54 117.98 126.17 3kfk s PHE 355 Ca 0.44 -1.07 -0.20 0.00 -0.60 0.00 0.00 56.93 55.51 3kfk s PHE 355 Cb -0.10 -4.38 0.10 0.00 0.51 0.00 0.00 43.02 39.15 3kfk s PHE 355 CO 0.23 -1.63 0.83 0.08 0.70 0.00 0.00 175.22 175.43 3kfk s VAL 356 N 3.53 4.71 0.00 -0.44 1.01 -0.81 -1.38 120.40 127.03 3kfk s VAL 356 Ca 0.33 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.35 3kfk s VAL 356 Cb -0.06 -4.58 0.00 0.00 0.00 0.00 0.00 36.38 31.74 3kfk s VAL 356 CO -0.05 -1.26 0.00 -1.84 0.00 0.00 0.00 175.10 171.95 3kfk n GLU 357 N 6.62 0.00 0.00 2.72 0.28 0.19 -0.66 120.64 129.78 3kfk n GLU 357 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 3kfk n GLU 357 Cb 0.44 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.31 3kfk n GLU 357 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3kfk n GLU 358 N 0.00 0.00 -3.08 3.44 4.07 -1.26 0.40 120.64 124.20 3kfk n GLU 358 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3kfk n GLU 358 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3kfk n GLU 358 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3kfk n LYS 360 N 0.00 0.00 -1.79 0.00 0.00 -1.26 -4.86 118.16 110.25 3kfk n LYS 360 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 58.31 58.11 3kfk n LYS 360 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.94 3kfk n LYS 360 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 3kfk s HIS 361 N 0.89 1.51 -0.19 5.64 2.46 -1.26 -4.93 115.29 119.41 3kfk s HIS 361 Ca 0.00 1.59 -0.07 0.00 0.47 0.00 0.00 55.06 57.05 3kfk s HIS 361 Cb 0.00 -3.59 -0.04 0.00 -0.13 0.00 0.00 32.58 28.83 3kfk s HIS 361 CO 0.00 -0.85 0.05 -1.25 -2.47 0.00 0.00 174.74 170.22 3kfk s PRO 362 N 7.66 3.88 0.02 2.88 0.05 -1.26 -4.95 135.00 143.28 3kfk s PRO 362 Ca 0.76 -0.39 0.24 0.00 0.05 0.00 0.00 61.00 61.66 3kfk s PRO 362 Cb -0.03 -3.19 0.39 0.00 0.05 0.00 0.00 34.50 31.72 3kfk s PRO 362 CO 0.17 0.20 1.33 1.63 0.05 0.00 0.00 177.00 180.37 3kfk n LYS 363 N 3.75 0.07 -4.53 4.56 4.76 -1.26 -4.34 118.16 121.17 3kfk n LYS 363 Ca -0.17 0.01 -0.23 0.00 -2.87 0.00 0.00 58.31 55.05 3kfk n LYS 363 Cb 0.52 -1.54 -0.16 0.00 -1.84 0.00 0.00 35.03 32.01 3kfk n LYS 363 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kfk s ALA 364 N -3.04 1.14 -0.00 7.82 0.00 -1.26 -4.62 121.76 121.79 3kfk s ALA 364 Ca 0.09 -0.38 0.06 0.00 0.00 0.00 0.00 51.96 51.73 3kfk s ALA 364 Cb 0.16 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 3kfk s ALA 364 CO 0.72 0.13 -0.20 0.08 0.00 0.00 0.00 175.76 176.49 3kfk s VAL 365 N 0.53 1.60 -0.12 0.00 1.01 -1.03 -4.36 120.40 118.02 3kfk s VAL 365 Ca -0.11 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 3kfk s VAL 365 Cb -0.14 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 3kfk s VAL 365 CO 0.02 0.39 -0.04 -0.89 0.00 0.00 0.00 175.10 174.59 3kfk s THR 366 N -0.54 3.90 -0.32 3.92 2.01 -1.26 0.47 115.64 123.81 3kfk s THR 366 Ca 0.08 -0.37 -0.06 0.00 0.31 0.00 0.00 61.69 61.64 3kfk s THR 366 Cb -0.08 -2.67 0.03 0.00 0.01 0.00 0.00 72.50 69.80 3kfk s THR 366 CO -0.00 0.54 0.08 -0.04 -0.69 0.00 0.00 174.62 174.51 3kfk s MET 367 N -0.13 2.69 -1.27 4.92 -1.94 0.15 -4.83 119.30 118.89 3kfk s MET 367 Ca 0.03 -1.12 -0.16 0.00 -1.71 0.00 0.00 55.69 52.72 3kfk s MET 367 Cb -0.13 -3.40 0.11 0.00 2.01 0.00 0.00 34.83 33.42 3kfk s MET 367 CO 0.02 -0.61 1.64 -0.11 -0.01 0.00 0.00 175.02 175.96 3kfk n LEU 368 N 4.80 5.13 -4.63 -0.03 7.94 -1.23 -1.34 117.00 127.64 3kfk n LEU 368 Ca -0.13 -4.14 -0.43 0.00 -1.11 0.00 0.00 56.01 50.20 3kfk n LEU 368 Cb 0.45 -1.69 -0.02 0.00 0.53 0.00 0.00 43.42 42.69 3kfk n LEU 368 CO 0.31 0.41 1.11 -0.63 -1.11 0.00 0.00 177.39 177.49 3kfk s ILE 369 N 3.13 4.18 0.15 1.96 1.01 -0.54 -3.92 121.20 127.17 3kfk s ILE 369 Ca 0.49 1.34 0.07 0.00 0.00 0.00 0.00 60.65 62.56 3kfk s ILE 369 Cb 0.02 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 3kfk s ILE 369 CO 0.05 -0.46 -0.16 -0.13 0.00 0.00 0.00 174.94 174.23 3kfk s ARG 370 N 4.09 1.19 0.21 2.79 0.52 -1.26 -2.71 118.95 123.78 3kfk s ARG 370 Ca 0.55 -1.37 -0.22 0.00 -0.52 0.00 0.00 55.73 54.17 3kfk s ARG 370 Cb -0.16 -1.15 0.07 0.00 0.52 0.00 0.00 34.95 34.23 3kfk s ARG 370 CO 0.22 0.22 1.00 0.20 0.02 0.00 0.00 175.30 176.96 3kfk s GLY 371 N -2.67 0.09 0.01 -3.53 0.00 -1.20 -2.37 107.32 97.64 3kfk s GLY 371 Ca 0.14 -0.31 -0.10 0.00 0.00 0.00 0.00 44.72 44.44 3kfk s GLY 371 CO 0.05 1.69 0.92 -0.91 0.00 0.00 0.00 173.10 174.85 3kfk h THR 372 N 2.00 0.00 -2.70 0.90 1.35 -1.91 -3.09 112.91 109.45 3kfk h THR 372 Ca -0.28 -0.09 -0.57 0.00 -0.55 0.00 0.00 66.41 64.93 3kfk h THR 372 Cb 1.22 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 67.58 3kfk h THR 372 CO 0.35 0.00 -0.54 0.42 -0.25 0.00 0.00 175.52 175.50 3kfk s THR 373 N -3.38 4.71 0.45 6.82 -4.23 -1.26 -4.44 115.64 114.31 3kfk s THR 373 Ca -0.05 -0.95 0.11 0.00 -1.18 0.00 0.00 61.69 59.62 3kfk s THR 373 Cb 0.01 -3.40 0.28 0.00 1.34 0.00 0.00 72.50 70.72 3kfk s THR 373 CO 0.16 -0.08 2.08 -0.08 -0.54 0.00 0.00 174.62 176.16 3kfk h GLU 374 N 2.42 0.35 0.00 3.99 4.57 -1.96 -1.24 114.58 122.71 3kfk h GLU 374 Ca -0.48 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 57.59 3kfk h GLU 374 Cb 1.20 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.69 3kfk h GLU 374 CO 0.65 0.23 -0.46 0.45 -1.18 0.00 0.00 179.01 178.70 3kfk h HIS 375 N 0.36 0.00 -0.07 0.92 3.86 -1.99 -1.83 115.15 116.39 3kfk h HIS 375 Ca 0.12 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.23 3kfk h HIS 375 Cb 0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 3kfk h HIS 375 CO -0.00 0.46 -0.35 0.28 0.86 0.00 0.00 177.93 179.18 3kfk h VAL 376 N 0.00 1.42 -0.59 2.45 2.07 -1.67 -3.19 116.25 116.73 3kfk h VAL 376 Ca -0.00 -1.74 0.08 0.00 0.82 0.00 0.00 66.70 65.86 3kfk h VAL 376 Cb 0.84 2.31 -0.07 0.00 -1.52 0.00 0.00 31.29 32.86 3kfk h VAL 376 CO 0.06 0.50 0.24 0.40 0.02 0.00 0.00 177.57 178.80 3kfk h ILE 377 N -0.12 0.82 -0.32 4.57 2.04 -1.12 0.07 117.51 123.45 3kfk h ILE 377 Ca -0.02 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 3kfk h ILE 377 Cb 1.00 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 3kfk h ILE 377 CO 0.07 0.08 0.01 -0.08 0.00 0.00 0.00 178.15 178.24 3kfk h GLU 378 N 0.44 0.48 -0.07 2.37 4.81 -1.44 0.24 114.58 121.41 3kfk h GLU 378 Ca 0.29 -0.09 -0.22 0.00 -0.13 0.00 0.00 59.36 59.21 3kfk h GLU 378 Cb 0.32 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3kfk h GLU 378 CO -0.27 0.49 -0.84 1.49 -0.73 0.00 0.00 179.01 179.15 3kfk h GLU 379 N 0.46 0.54 0.00 1.92 4.57 -1.32 -1.81 114.58 118.94 3kfk h GLU 379 Ca 0.10 -0.49 -0.05 0.00 -1.18 0.00 0.00 59.36 57.74 3kfk h GLU 379 Cb 0.28 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 3kfk h GLU 379 CO 0.01 1.12 -0.22 0.28 -1.18 0.00 0.00 179.01 179.02 3kfk h VAL 380 N 0.34 0.51 -0.09 0.32 2.07 -0.55 -1.65 116.25 117.21 3kfk h VAL 380 Ca -0.06 -1.13 -0.24 0.00 0.82 0.00 0.00 66.70 66.09 3kfk h VAL 380 Cb 1.46 1.79 0.01 0.00 -1.52 0.00 0.00 31.29 33.03 3kfk h VAL 380 CO 0.15 0.21 -0.89 0.00 0.02 0.00 0.00 177.57 177.07 3kfk h ALA 381 N 1.78 0.25 0.00 1.67 0.00 -0.40 -3.13 119.26 119.43 3kfk h ALA 381 Ca -0.00 -0.64 -0.07 0.00 0.00 0.00 0.00 54.91 54.20 3kfk h ALA 381 Cb 0.77 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3kfk h ALA 381 CO 0.03 0.69 -0.33 0.00 0.00 0.00 0.00 179.25 179.64 3kfk h ARG 382 N 0.48 0.00 -0.08 0.00 3.08 -1.18 -2.93 114.38 113.74 3kfk h ARG 382 Ca -0.08 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.82 3kfk h ARG 382 Cb 1.52 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.56 3kfk h ARG 382 CO 0.18 0.33 -0.60 0.00 -1.07 0.00 0.00 179.97 178.81 3kfk h ALA 383 N 1.67 0.83 -0.07 0.04 0.00 -1.36 -3.06 119.26 117.31 3kfk h ALA 383 Ca -0.00 -0.54 -0.18 0.00 0.00 0.00 0.00 54.91 54.19 3kfk h ALA 383 Cb 1.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3kfk h ALA 383 CO 0.04 0.72 -0.73 0.28 0.00 0.00 0.00 179.25 179.56 3kfk h VAL 384 N 0.20 1.39 -0.97 0.00 2.07 -1.51 -3.08 116.25 114.34 3kfk h VAL 384 Ca -0.00 -2.16 0.13 0.00 0.82 0.00 0.00 66.70 65.48 3kfk h VAL 384 Cb 1.10 2.13 -0.09 0.00 -1.52 0.00 0.00 31.29 32.91 3kfk h VAL 384 CO 0.09 0.65 0.60 0.44 0.02 0.00 0.00 177.57 179.37 3kfk h ASP 385 N 0.26 0.86 0.54 0.57 3.32 -1.41 0.21 116.42 120.77 3kfk h ASP 385 Ca -0.03 0.06 -0.19 0.00 0.02 0.00 0.00 57.03 56.89 3kfk h ASP 385 Cb 1.30 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 3kfk h ASP 385 CO 0.12 0.44 -0.83 0.44 -1.72 0.00 0.00 179.24 177.70 3kfk h ASP 386 N 0.93 0.26 0.54 6.45 5.19 -1.59 -3.09 116.42 125.11 3kfk h ASP 386 Ca 0.49 -0.20 -0.15 0.00 -0.62 0.00 0.00 57.03 56.56 3kfk h ASP 386 Cb 0.53 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.94 3kfk h ASP 386 CO -0.28 0.97 -0.66 0.00 -3.12 0.00 0.00 179.24 176.15 3kfk h ALA 387 N 1.01 0.84 -0.26 3.45 0.00 -1.09 -2.97 119.26 120.24 3kfk h ALA 387 Ca -0.04 -0.59 -0.20 0.00 0.00 0.00 0.00 54.91 54.08 3kfk h ALA 387 Cb 1.43 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3kfk h ALA 387 CO 0.13 0.80 -0.60 0.28 0.00 0.00 0.00 179.25 179.85 3kfk h VAL 388 N 0.08 1.27 -0.03 0.00 2.07 -0.71 -3.24 116.25 115.69 3kfk h VAL 388 Ca -0.01 -1.78 -0.00 0.00 0.82 0.00 0.00 66.70 65.72 3kfk h VAL 388 Cb 1.18 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 3kfk h VAL 388 CO 0.09 0.58 0.02 1.23 0.02 0.00 0.00 177.57 179.51 3kfk h GLY 389 N 0.65 0.05 1.04 2.17 0.00 -1.49 -1.78 103.07 103.71 3kfk h GLY 389 Ca -0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 3kfk h GLY 389 CO 0.13 0.02 0.13 -0.39 0.00 0.00 0.00 176.54 176.43 3kfk h VAL 390 N -0.02 1.26 -0.30 4.60 -1.51 -1.64 0.12 116.25 118.76 3kfk h VAL 390 Ca 0.01 -0.97 -0.15 0.00 -1.23 0.00 0.00 66.70 64.36 3kfk h VAL 390 Cb 0.06 0.68 -0.01 0.00 -2.13 0.00 0.00 31.29 29.89 3kfk h VAL 390 CO -0.00 0.36 -0.41 0.58 -1.23 0.00 0.00 177.57 176.87 3kfk h VAL 391 N 0.94 1.29 -0.22 7.19 2.07 -1.59 -1.33 116.25 124.60 3kfk h VAL 391 Ca 0.19 -1.59 -0.09 0.00 0.82 0.00 0.00 66.70 66.03 3kfk h VAL 391 Cb 0.40 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3kfk h VAL 391 CO 0.01 0.52 -0.25 1.23 0.02 0.00 0.00 177.57 179.09 3kfk h GLY 392 N 0.92 0.43 1.83 2.17 0.00 -1.08 -2.49 103.07 104.86 3kfk h GLY 392 Ca 0.05 -0.35 -0.17 0.00 0.00 0.00 0.00 47.33 46.86 3kfk h GLY 392 CO 0.09 0.32 -0.77 0.00 0.00 0.00 0.00 176.54 176.18 3kfk h THR 394 N 0.10 1.29 -0.40 0.00 2.02 -1.08 -0.23 112.91 114.61 3kfk h THR 394 Ca -0.02 -1.54 -0.12 0.00 0.77 0.00 0.00 66.41 65.50 3kfk h THR 394 Cb 1.35 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 69.20 3kfk h THR 394 CO 0.11 0.50 -0.20 0.40 0.37 0.00 0.00 175.52 176.70 3kfk h ILE 395 N 0.59 1.28 -0.14 3.11 2.04 -1.48 -0.08 117.51 122.83 3kfk h ILE 395 Ca 0.05 -1.34 -0.19 0.00 1.00 0.00 0.00 64.86 64.38 3kfk h ILE 395 Cb 0.91 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 38.28 3kfk h ILE 395 CO 0.08 0.45 -0.70 -0.33 0.00 0.00 0.00 178.15 177.65 3kfk h GLU 396 N 0.65 0.58 0.00 2.37 5.08 -1.42 -3.40 114.58 118.44 3kfk h GLU 396 Ca 0.09 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3kfk h GLU 396 Cb 0.76 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3kfk h GLU 396 CO 0.06 1.07 -0.55 -0.25 -1.00 0.00 0.00 179.01 178.35 3kfk n ASP 397 N -3.90 1.24 0.00 1.42 10.43 -0.11 -5.04 116.55 120.59 3kfk n ASP 397 Ca -0.05 0.31 0.00 0.00 2.57 0.00 0.00 54.79 57.62 3kfk n ASP 397 Cb 0.70 -0.69 0.00 0.00 1.84 0.00 0.00 41.12 42.97 3kfk n ASP 397 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3kfk n GLY 398 N 1.54 1.18 3.17 0.44 0.00 -0.04 -4.99 105.19 106.47 3kfk n GLY 398 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 3kfk n GLY 398 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kfk s ARG 399 N -0.01 2.20 0.02 1.61 0.52 -1.26 0.56 118.95 122.60 3kfk s ARG 399 Ca 0.00 -0.71 -0.11 0.00 -0.52 0.00 0.00 55.73 54.39 3kfk s ARG 399 Cb 0.00 -1.83 0.01 0.00 0.52 0.00 0.00 34.95 33.65 3kfk s ARG 399 CO 0.00 0.24 0.23 0.96 0.02 0.00 0.00 175.30 176.75 3kfk s ILE 400 N 0.13 0.09 0.13 1.52 -4.36 -0.18 -3.45 121.20 115.08 3kfk s ILE 400 Ca -0.08 -0.73 0.07 0.00 -0.26 0.00 0.00 60.65 59.65 3kfk s ILE 400 Cb -0.14 -0.78 -0.04 0.00 1.25 0.00 0.00 42.46 42.76 3kfk s ILE 400 CO 0.04 -0.40 -0.18 0.68 0.24 0.00 0.00 174.94 175.32 3kfk s VAL 401 N -2.12 1.59 0.14 8.37 -7.23 0.24 -0.12 120.40 121.28 3kfk s VAL 401 Ca -0.08 -1.70 -0.31 0.00 -1.81 0.00 0.00 61.98 58.08 3kfk s VAL 401 Cb -0.03 -1.61 -0.08 0.00 0.56 0.00 0.00 36.38 35.23 3kfk s VAL 401 CO -0.01 -0.26 1.33 -0.94 -0.31 0.00 0.00 175.10 174.91 3kfk s SER 402 N -2.30 6.89 0.41 4.85 1.04 -1.26 -0.34 113.70 122.99 3kfk s SER 402 Ca 0.10 2.31 0.00 0.00 0.48 0.00 0.00 55.95 58.83 3kfk s SER 402 Cb -0.07 -2.59 0.02 0.00 0.10 0.00 0.00 66.02 63.47 3kfk s SER 402 CO 0.05 -0.58 0.11 0.61 0.98 0.00 0.00 173.24 174.40 3kfk n GLY 403 N 3.08 0.79 2.19 7.32 0.00 -0.82 -3.30 105.19 114.45 3kfk n GLY 403 Ca 0.09 -1.97 -0.08 0.00 0.00 0.00 0.00 46.02 44.06 3kfk n GLY 403 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kfk n GLY 404 N 4.14 0.10 2.82 -0.02 0.00 -1.26 -3.47 105.19 107.50 3kfk n GLY 404 Ca 0.02 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 3kfk n GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kfk n GLY 405 N -1.03 -0.04 0.13 -0.02 0.00 -1.26 -2.87 105.19 100.10 3kfk n GLY 405 Ca -0.08 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 3kfk n GLY 405 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kfk n SER 406 N -1.63 1.93 0.11 1.61 2.88 -1.23 -4.31 113.62 112.99 3kfk n SER 406 Ca -0.03 0.36 0.12 0.00 -1.33 0.00 0.00 58.87 58.00 3kfk n SER 406 Cb 0.55 -0.85 0.45 0.00 -0.75 0.00 0.00 64.21 63.61 3kfk n SER 406 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3kfk n THR 407 N -4.31 0.67 0.07 2.46 -2.24 -1.21 -3.09 114.28 106.64 3kfk n THR 407 Ca -0.47 -0.05 -0.05 0.00 -2.27 0.00 0.00 64.05 61.21 3kfk n THR 407 Cb 0.82 -0.83 0.14 0.00 -2.10 0.00 0.00 70.33 68.36 3kfk n THR 407 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3kfk h GLU 408 N 0.00 0.30 0.10 -0.78 3.07 -1.88 -2.10 114.58 113.29 3kfk h GLU 408 Ca 0.00 -0.18 -0.29 0.00 -0.50 0.00 0.00 59.36 58.39 3kfk h GLU 408 Cb 0.56 0.02 0.03 0.00 -0.84 0.00 0.00 28.75 28.51 3kfk h GLU 408 CO 0.00 0.75 -1.20 0.28 -1.40 0.00 0.00 179.01 177.44 3kfk h VAL 409 N 0.24 1.29 -0.69 3.13 2.07 -1.73 -2.74 116.25 117.81 3kfk h VAL 409 Ca 0.01 -2.42 -0.04 0.00 0.82 0.00 0.00 66.70 65.07 3kfk h VAL 409 Cb 1.00 2.66 -0.03 0.00 -1.52 0.00 0.00 31.29 33.40 3kfk h VAL 409 CO 0.08 0.74 0.30 -0.08 0.02 0.00 0.00 177.57 178.63 3kfk h GLU 410 N 0.27 1.03 0.00 1.57 4.57 -1.55 -2.20 114.58 118.27 3kfk h GLU 410 Ca -0.18 -0.17 -0.13 0.00 -1.18 0.00 0.00 59.36 57.70 3kfk h GLU 410 Cb 1.87 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 30.27 3kfk h GLU 410 CO 0.23 0.84 -0.62 1.25 -1.18 0.00 0.00 179.01 179.52 3kfk h LEU 411 N 0.98 0.00 -0.28 1.64 5.85 -1.47 -2.90 115.31 119.13 3kfk h LEU 411 Ca 0.23 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.81 3kfk h LEU 411 Cb 0.18 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 3kfk h LEU 411 CO -0.02 0.62 -0.39 -1.28 -0.34 0.00 0.00 178.44 177.03 3kfk h SER 412 N 0.00 0.83 1.17 1.25 0.87 -1.19 -2.71 113.55 113.78 3kfk h SER 412 Ca -0.01 -0.51 -0.09 0.00 -1.23 0.00 0.00 61.79 59.95 3kfk h SER 412 Cb 1.11 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.82 3kfk h SER 412 CO 0.08 1.17 -0.45 0.00 -0.53 0.00 0.00 176.83 177.10 3kfk h MET 413 N 0.51 0.00 0.00 2.24 -0.00 -1.45 -2.87 114.93 113.35 3kfk h MET 413 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.73 3kfk h MET 413 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.58 3kfk h MET 413 CO 0.09 0.45 -0.19 0.87 -0.00 0.00 0.00 176.91 178.13 3kfk h LYS 414 N 0.00 0.00 0.00 -0.10 1.79 -1.51 -3.19 116.57 113.56 3kfk h LYS 414 Ca -0.00 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.40 3kfk h LYS 414 Cb 1.16 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.80 3kfk h LYS 414 CO 0.06 0.00 -1.60 1.28 -1.08 0.00 0.00 179.45 178.11 3kfk n LEU 415 N -2.74 0.44 0.02 2.94 4.77 -1.02 -3.07 117.00 118.33 3kfk n LEU 415 Ca 0.04 0.18 -0.13 0.00 -0.03 0.00 0.00 56.01 56.07 3kfk n LEU 415 Cb 0.50 0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.62 3kfk n LEU 415 CO 0.34 0.01 0.32 0.03 -1.33 0.00 0.00 177.39 176.75 3kfk h ARG 416 N 0.00 0.56 0.00 3.23 3.08 -1.58 -0.46 114.38 119.21 3kfk h ARG 416 Ca -0.08 -0.46 -0.09 0.00 0.07 0.00 0.00 59.98 59.43 3kfk h ARG 416 Cb 1.22 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 3kfk h ARG 416 CO 0.01 1.08 -0.41 1.05 -1.07 0.00 0.00 179.97 180.63 3kfk h GLU 417 N 0.38 0.00 -0.04 0.04 4.11 -1.71 -2.84 114.58 114.51 3kfk h GLU 417 Ca -0.04 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.25 3kfk h GLU 417 Cb 1.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 3kfk h GLU 417 CO 0.14 0.41 -0.60 -0.92 0.07 0.00 0.00 179.01 178.11 3kfk h TYR 418 N 0.00 0.19 0.00 2.06 3.20 -1.46 -3.09 116.97 117.88 3kfk h TYR 418 Ca -0.00 -0.07 -0.09 0.00 3.14 0.00 0.00 58.73 61.70 3kfk h TYR 418 Cb 1.07 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 3kfk h TYR 418 CO 0.00 0.71 -0.42 0.00 -1.64 0.00 0.00 178.16 176.82 3kfk h ALA 419 N 1.27 1.22 -0.11 1.82 0.00 -0.87 -3.13 119.26 119.46 3kfk h ALA 419 Ca -0.01 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 3kfk h ALA 419 Cb 1.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3kfk h ALA 419 CO 0.09 0.52 -0.05 0.93 0.00 0.00 0.00 179.25 180.74 3kfk h GLU 420 N 0.00 0.16 -0.67 0.00 5.08 -1.41 -2.48 114.58 115.25 3kfk h GLU 420 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3kfk h GLU 420 Cb 0.78 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3kfk h GLU 420 CO 0.05 0.23 0.00 0.41 -1.00 0.00 0.00 179.01 178.70 3kfk n GLY 421 N -1.17 2.07 3.27 -3.84 0.00 -1.18 -4.83 105.19 99.52 3kfk n GLY 421 Ca -0.01 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 3kfk n GLY 421 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kfk s ILE 422 N -1.90 2.92 -0.09 -0.61 1.01 -0.94 -5.11 121.20 116.49 3kfk s ILE 422 Ca 0.32 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 60.18 3kfk s ILE 422 Cb 0.23 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 3kfk s ILE 422 CO 0.12 0.48 0.31 -0.94 0.00 0.00 0.00 174.94 174.91 3kfk s SER 423 N 1.16 6.58 0.00 3.58 1.04 -1.26 -4.66 113.70 120.14 3kfk s SER 423 Ca 0.01 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.14 3kfk s SER 423 Cb -0.14 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 63.79 3kfk s SER 423 CO -0.04 0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.05 3kfk n GLY 424 N 2.44 0.41 0.02 7.32 0.00 -1.26 -4.77 105.19 109.36 3kfk n GLY 424 Ca -0.14 -2.30 0.13 0.00 0.00 0.00 0.00 46.02 43.71 3kfk n GLY 424 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kfk n ARG 425 N -0.27 0.07 0.12 1.61 0.63 -1.26 -3.41 116.66 114.15 3kfk n ARG 425 Ca 0.00 0.04 0.12 0.00 -0.92 0.00 0.00 57.85 57.09 3kfk n ARG 425 Cb 0.00 -1.56 0.47 0.00 0.45 0.00 0.00 32.46 31.82 3kfk n ARG 425 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 3kfk n GLU 426 N -1.67 0.20 -0.15 -0.14 0.28 -1.26 -3.02 120.64 114.87 3kfk n GLU 426 Ca 0.06 0.36 -0.08 0.00 -0.16 0.00 0.00 57.16 57.34 3kfk n GLU 426 Cb 0.36 -1.84 0.01 0.00 1.43 0.00 0.00 31.44 31.40 3kfk n GLU 426 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 3kfk h GLN 427 N 0.00 0.64 0.00 3.44 4.15 -1.82 -2.79 115.11 118.73 3kfk h GLN 427 Ca 0.00 -0.08 -0.03 0.00 0.77 0.00 0.00 58.65 59.31 3kfk h GLN 427 Cb 0.44 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.00 3kfk h GLN 427 CO 0.00 0.51 -0.16 -0.07 -1.93 0.00 0.00 178.83 177.18 3kfk h LEU 428 N 0.60 0.00 -0.55 -2.39 3.38 -1.79 0.84 115.31 115.41 3kfk h LEU 428 Ca 0.16 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.97 3kfk h LEU 428 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3kfk h LEU 428 CO -0.03 0.16 -0.60 0.00 0.09 0.00 0.00 178.44 178.07 3kfk h ALA 429 N 1.84 0.73 -0.08 1.53 0.00 -1.64 -0.96 119.26 120.68 3kfk h ALA 429 Ca -0.00 -0.54 -0.21 0.00 0.00 0.00 0.00 54.91 54.17 3kfk h ALA 429 Cb 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3kfk h ALA 429 CO 0.02 0.71 -0.80 0.28 0.00 0.00 0.00 179.25 179.46 3kfk h VAL 430 N 0.32 1.35 -0.62 0.00 2.07 -1.03 -1.53 116.25 116.80 3kfk h VAL 430 Ca -0.00 -2.15 -0.06 0.00 0.82 0.00 0.00 66.70 65.31 3kfk h VAL 430 Cb 1.13 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 33.01 3kfk h VAL 430 CO 0.10 0.66 0.14 0.03 0.02 0.00 0.00 177.57 178.52 3kfk h ARG 431 N 0.36 1.00 0.00 1.57 3.08 -0.82 -0.68 114.38 118.89 3kfk h ARG 431 Ca -0.05 -0.24 -0.10 0.00 0.07 0.00 0.00 59.98 59.66 3kfk h ARG 431 Cb 1.40 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.31 3kfk h ARG 431 CO 0.15 0.91 -0.47 0.00 -1.07 0.00 0.00 179.97 179.49 3kfk h ALA 432 N 1.04 1.04 -0.33 0.04 0.00 -1.18 -0.89 119.26 118.99 3kfk h ALA 432 Ca 0.19 -0.43 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 3kfk h ALA 432 Cb 0.37 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3kfk h ALA 432 CO 0.00 0.59 -0.46 0.35 0.00 0.00 0.00 179.25 179.73 3kfk h PHE 433 N 0.00 1.06 0.03 0.00 3.57 -0.94 -2.43 116.94 118.23 3kfk h PHE 433 Ca -0.00 -0.35 -0.23 0.00 3.53 0.00 0.00 57.97 60.92 3kfk h PHE 433 Cb 0.94 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.46 3kfk h PHE 433 CO 0.00 1.16 -1.00 0.00 -2.23 0.00 0.00 178.31 176.25 3kfk h ALA 434 N 0.77 0.32 0.00 2.41 0.00 -1.00 -3.16 119.26 118.61 3kfk h ALA 434 Ca 0.04 -0.74 -0.00 0.00 0.00 0.00 0.00 54.91 54.20 3kfk h ALA 434 Cb 1.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3kfk h ALA 434 CO 0.11 0.84 -0.01 -0.44 0.00 0.00 0.00 179.25 179.75 3kfk h ASP 435 N 0.20 0.00 1.84 0.00 5.19 -1.21 -2.84 116.42 119.61 3kfk h ASP 435 Ca -0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 3kfk h ASP 435 Cb 1.65 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.16 3kfk h ASP 435 CO 0.17 0.01 -0.01 0.00 -3.12 0.00 0.00 179.24 176.29 3kfk h ALA 436 N 1.99 1.00 0.00 3.45 0.00 -1.40 -3.27 119.26 121.02 3kfk h ALA 436 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kfk h ALA 436 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3kfk h ALA 436 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.18 3kfk h LEU 437 N 0.00 0.00 -1.43 0.00 3.38 -1.50 -3.10 115.31 112.65 3kfk h LEU 437 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kfk h LEU 437 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3kfk h LEU 437 CO 0.00 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.91 3kfk n GLU 438 N -2.74 2.00 0.10 1.13 1.02 -1.24 -4.07 120.64 116.85 3kfk n GLU 438 Ca 0.02 -1.05 -0.20 0.00 -0.02 0.00 0.00 57.16 55.91 3kfk n GLU 438 Cb 0.34 -1.48 -0.13 0.00 -0.02 0.00 0.00 31.44 30.16 3kfk n GLU 438 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3kfk h VAL 439 N 1.52 1.34 -0.13 2.62 3.04 -1.78 -3.07 116.25 119.78 3kfk h VAL 439 Ca 0.00 -2.61 -0.01 0.00 -1.01 0.00 0.00 66.70 63.06 3kfk h VAL 439 Cb 0.68 2.77 -0.01 0.00 -2.01 0.00 0.00 31.29 32.72 3kfk h VAL 439 CO 0.08 0.79 0.02 0.40 -1.01 0.00 0.00 177.57 177.85 3kfk h ILE 440 N 0.21 1.21 0.00 3.17 1.08 -1.85 0.15 117.51 121.48 3kfk h ILE 440 Ca -0.18 -0.66 -0.04 0.00 -0.39 0.00 0.00 64.86 63.59 3kfk h ILE 440 Cb 1.93 1.41 -0.01 0.00 -3.07 0.00 0.00 36.82 37.09 3kfk h ILE 440 CO 0.23 0.20 -0.19 -0.65 -0.69 0.00 0.00 178.15 177.05 3kfk h PRO 441 N -0.01 0.00 -0.05 2.37 0.11 -1.83 -1.59 132.00 131.01 3kfk h PRO 441 Ca 0.04 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.93 3kfk h PRO 441 Cb 0.28 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.41 3kfk h PRO 441 CO 0.00 0.19 -0.81 -0.09 -0.21 0.00 0.00 178.00 177.08 3kfk h ARG 442 N 0.00 0.64 0.00 1.05 2.43 -1.38 -3.21 114.38 113.92 3kfk h ARG 442 Ca -0.00 -0.62 -0.08 0.00 -0.81 0.00 0.00 59.98 58.47 3kfk h ARG 442 Cb 0.46 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 3kfk h ARG 442 CO 0.02 1.23 -0.36 1.79 -1.51 0.00 0.00 179.97 181.14 3kfk h THR 443 N 0.29 0.79 -0.29 0.20 1.35 -0.57 -2.43 112.91 112.26 3kfk h THR 443 Ca -0.09 -1.58 -0.07 0.00 -0.55 0.00 0.00 66.41 64.13 3kfk h THR 443 Cb 1.47 2.00 -0.02 0.00 -1.73 0.00 0.00 68.15 69.88 3kfk h THR 443 CO 0.16 0.36 -0.12 -0.07 -0.25 0.00 0.00 175.52 175.60 3kfk h LEU 444 N 0.00 0.47 -0.00 3.87 3.38 -1.34 -2.67 115.31 119.02 3kfk h LEU 444 Ca -0.00 -0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.65 3kfk h LEU 444 Cb 0.97 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 3kfk h LEU 444 CO 0.05 0.63 -0.92 0.00 0.09 0.00 0.00 178.44 178.28 3kfk h ALA 445 N 1.42 0.40 -0.51 1.53 0.00 -1.53 -2.99 119.26 117.59 3kfk h ALA 445 Ca 0.08 -0.84 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 3kfk h ALA 445 Cb 0.48 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3kfk h ALA 445 CO 0.03 1.15 0.22 0.93 0.00 0.00 0.00 179.25 181.58 3kfk h GLU 446 N 0.00 0.73 0.00 0.00 5.08 -1.11 -2.72 114.58 116.55 3kfk h GLU 446 Ca -0.01 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3kfk h GLU 446 Cb 1.71 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.82 3kfk h GLU 446 CO 0.12 0.59 -0.84 0.09 -1.00 0.00 0.00 179.01 177.97 3kfk n ASN 447 N -4.36 0.77 0.11 1.42 3.02 -1.06 -4.34 115.26 110.82 3kfk n ASN 447 Ca 0.04 -0.64 -0.20 0.00 -0.03 0.00 0.00 54.58 53.75 3kfk n ASN 447 Cb 0.15 0.73 -0.15 0.00 -0.61 0.00 0.00 39.78 39.90 3kfk n ASN 447 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kfk h ALA 448 N 2.94 0.06 0.00 5.41 0.00 -1.33 -3.44 119.26 122.90 3kfk h ALA 448 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.95 3kfk h ALA 448 Cb 0.53 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3kfk h ALA 448 CO 0.00 0.93 0.00 0.41 0.00 0.00 0.00 179.25 180.59 3kfk n GLY 449 N 1.66 0.84 3.84 0.00 0.00 -1.06 -5.07 105.19 105.41 3kfk n GLY 449 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 3kfk n GLY 449 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kfk s LEU 450 N 0.00 2.90 0.15 0.99 1.02 -1.23 -5.00 118.68 117.51 3kfk s LEU 450 Ca 0.00 1.36 -0.31 0.00 0.02 0.00 0.00 54.13 55.20 3kfk s LEU 450 Cb 0.00 -4.15 -0.08 0.00 0.02 0.00 0.00 46.19 41.97 3kfk s LEU 450 CO 0.00 -1.52 1.37 -0.62 0.02 0.00 0.00 176.35 175.61 3kfk s ASP 451 N -4.03 6.83 0.00 2.29 3.68 -1.26 -4.43 116.67 119.75 3kfk s ASP 451 Ca 0.59 2.37 0.29 0.00 2.13 0.00 0.00 52.55 57.93 3kfk s ASP 451 Cb -0.13 -2.60 1.20 0.00 -1.45 0.00 0.00 42.92 39.94 3kfk s ASP 451 CO 0.54 -0.62 1.86 0.00 0.13 0.00 0.00 175.17 177.07 3kfk n ALA 452 N 3.49 2.71 -0.08 3.66 0.00 -1.26 -3.46 120.51 125.56 3kfk n ALA 452 Ca 0.10 -0.22 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 3kfk n ALA 452 Cb 0.42 -1.37 -0.16 0.00 0.00 0.00 0.00 19.45 18.35 3kfk n ALA 452 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3kfk n ILE 453 N -1.21 1.43 0.00 0.00 5.41 -1.26 -4.07 119.36 119.67 3kfk n ILE 453 Ca 0.12 -0.84 -0.19 0.00 1.00 0.00 0.00 62.75 62.84 3kfk n ILE 453 Cb 0.29 -0.59 -0.14 0.00 -0.71 0.00 0.00 39.64 38.49 3kfk n ILE 453 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3kfk h GLU 454 N 0.00 0.19 -0.09 0.38 4.57 -1.98 -3.36 114.58 114.29 3kfk h GLU 454 Ca -0.49 -0.33 -0.12 0.00 -1.18 0.00 0.00 59.36 57.25 3kfk h GLU 454 Cb 2.19 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 30.89 3kfk h GLU 454 CO 0.04 1.16 -0.48 0.82 -1.18 0.00 0.00 179.01 179.37 3kfk h ILE 455 N -0.57 1.34 -0.00 2.32 2.04 -1.80 -2.86 117.51 117.98 3kfk h ILE 455 Ca -0.15 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.03 3kfk h ILE 455 Cb 1.47 1.80 -0.00 0.00 -0.74 0.00 0.00 36.82 39.35 3kfk h ILE 455 CO 0.07 0.50 0.03 0.25 0.00 0.00 0.00 178.15 179.00 3kfk h LEU 456 N 0.18 0.00 0.08 1.44 5.85 -1.71 -1.60 115.31 119.55 3kfk h LEU 456 Ca 0.01 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.36 3kfk h LEU 456 Cb 0.91 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 3kfk h LEU 456 CO 0.07 0.00 -2.14 0.52 -0.34 0.00 0.00 178.44 176.55 3kfk n VAL 457 N -3.17 1.68 -0.26 1.05 0.31 -1.10 -3.78 118.33 113.07 3kfk n VAL 457 Ca -0.03 -0.64 -0.05 0.00 -0.01 0.00 0.00 64.34 63.61 3kfk n VAL 457 Cb 0.10 -1.58 0.06 0.00 -0.91 0.00 0.00 33.84 31.50 3kfk n VAL 457 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3kfk h LYS 458 N 0.05 0.96 0.03 5.55 1.57 -1.13 -1.27 116.57 122.33 3kfk h LYS 458 Ca -0.47 -0.08 -0.26 0.00 -1.87 0.00 0.00 60.65 57.97 3kfk h LYS 458 Cb 2.00 -0.20 0.02 0.00 0.08 0.00 0.00 32.23 34.12 3kfk h LYS 458 CO 0.03 0.67 -1.06 0.28 -0.57 0.00 0.00 179.45 178.81 3kfk h VAL 459 N 0.97 1.33 -0.81 0.50 2.07 -1.59 -2.89 116.25 115.83 3kfk h VAL 459 Ca 0.26 -2.40 -0.01 0.00 0.82 0.00 0.00 66.70 65.37 3kfk h VAL 459 Cb -0.05 2.48 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 3kfk h VAL 459 CO -0.05 0.73 0.46 -0.09 0.02 0.00 0.00 177.57 178.63 3kfk h ARG 460 N 0.30 1.12 0.00 1.57 2.43 -1.61 -1.82 114.38 116.37 3kfk h ARG 460 Ca -0.12 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 58.86 3kfk h ARG 460 Cb 1.71 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 31.03 3kfk h ARG 460 CO 0.20 0.81 -0.31 0.00 -1.51 0.00 0.00 179.97 179.16 3kfk h ALA 461 N 1.38 0.87 -0.36 2.80 0.00 -1.30 -3.16 119.26 119.48 3kfk h ALA 461 Ca 0.29 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kfk h ALA 461 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kfk h ALA 461 CO -0.05 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.59 3kfk n ALA 462 N -2.20 2.87 0.00 0.00 0.00 -0.71 -3.71 120.51 116.75 3kfk n ALA 462 Ca 0.01 -0.88 0.01 0.00 0.00 0.00 0.00 53.44 52.59 3kfk n ALA 462 Cb 0.57 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.98 3kfk n ALA 462 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kfk n HIS 463 N 0.51 0.00 -0.66 0.00 -0.00 -1.04 -1.74 115.22 112.29 3kfk n HIS 463 Ca 0.14 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.56 3kfk n HIS 463 Cb 0.56 -0.06 0.18 0.00 -0.00 0.00 0.00 29.99 30.67 3kfk n HIS 463 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kfk n ALA 464 N -1.59 -1.17 -0.94 -1.41 0.00 -1.24 -4.31 120.51 109.85 3kfk n ALA 464 Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.80 3kfk n ALA 464 Cb 0.07 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.37 3kfk n ALA 464 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kfk n SER 465 N -4.17 0.00 0.00 0.00 3.41 -1.26 -4.04 113.62 107.56 3kfk n SER 465 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 3kfk n SER 465 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3kfk n SER 465 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kfk n ASN 466 N 1.38 0.00 -4.76 4.04 4.13 -1.26 -5.11 115.26 113.67 3kfk n ASN 466 Ca 0.00 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.91 3kfk n ASN 466 Cb 0.00 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.27 3kfk n ASN 466 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3kfk s GLY 467 N -2.07 2.55 -0.16 7.41 0.00 -1.26 -4.24 107.32 109.55 3kfk s GLY 467 Ca 0.00 0.83 0.14 0.00 0.00 0.00 0.00 44.72 45.70 3kfk s GLY 467 CO 0.00 1.20 0.07 0.70 0.00 0.00 0.00 173.10 175.07 3kfk n ASN 468 N -1.74 1.01 0.00 1.64 3.02 -0.71 -3.54 115.26 114.95 3kfk n ASN 468 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 3kfk n ASN 468 Cb 0.51 0.93 0.00 0.00 -0.61 0.00 0.00 39.78 40.60 3kfk n ASN 468 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3kfk n LYS 469 N -2.58 0.00 -0.28 3.52 4.81 -1.26 -4.62 118.16 117.74 3kfk n LYS 469 Ca -0.26 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.25 3kfk n LYS 469 Cb 1.01 -0.19 0.20 0.00 0.02 0.00 0.00 35.03 36.07 3kfk n LYS 469 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kfk s ALA 471 N -1.65 3.31 0.35 0.00 0.00 -1.26 -0.56 121.76 121.94 3kfk s ALA 471 Ca 0.31 0.42 -0.04 0.00 0.00 0.00 0.00 51.96 52.64 3kfk s ALA 471 Cb 0.20 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.96 3kfk s ALA 471 CO 0.14 -0.44 0.51 0.20 0.00 0.00 0.00 175.76 176.17 3kfk s GLY 472 N 1.05 1.33 -0.21 0.00 0.00 -0.62 -4.44 107.32 104.43 3kfk s GLY 472 Ca 0.49 -1.41 -0.16 0.00 0.00 0.00 0.00 44.72 43.64 3kfk s GLY 472 CO 0.22 -0.91 0.39 -2.27 0.00 0.00 0.00 173.10 170.53 3kfk s LEU 473 N -3.21 4.14 -0.38 0.66 2.96 -1.14 -1.44 118.68 120.28 3kfk s LEU 473 Ca 0.28 0.49 -0.14 0.00 -0.22 0.00 0.00 54.13 54.55 3kfk s LEU 473 Cb -0.01 -2.50 0.01 0.00 0.50 0.00 0.00 46.19 44.19 3kfk s LEU 473 CO 0.19 -0.08 0.26 0.21 -1.32 0.00 0.00 176.35 175.61 3kfk s ASN 474 N 1.09 6.03 0.49 3.68 2.47 -1.25 -4.81 114.94 122.64 3kfk s ASN 474 Ca 0.18 -0.73 0.25 0.00 0.42 0.00 0.00 52.86 52.98 3kfk s ASN 474 Cb -0.15 -2.13 1.27 0.00 -1.45 0.00 0.00 41.25 38.79 3kfk s ASN 474 CO 0.08 -0.36 2.00 -0.37 -3.72 0.00 0.00 177.10 174.73 3kfk h VAL 475 N 5.61 0.63 0.20 -5.21 -1.51 -1.91 0.88 116.25 114.95 3kfk h VAL 475 Ca -0.29 -0.72 -0.31 0.00 -1.23 0.00 0.00 66.70 64.15 3kfk h VAL 475 Cb 1.13 1.46 0.02 0.00 -2.13 0.00 0.00 31.29 31.77 3kfk h VAL 475 CO 0.69 0.16 -1.46 -0.26 -1.23 0.00 0.00 177.57 175.47 3kfk h PHE 476 N 0.00 0.79 0.05 5.19 0.04 -1.97 -3.37 116.94 117.67 3kfk h PHE 476 Ca -0.00 -0.57 -0.15 0.00 2.80 0.00 0.00 57.97 60.04 3kfk h PHE 476 Cb 0.45 -0.03 0.01 0.00 2.20 0.00 0.00 35.95 38.58 3kfk h PHE 476 CO 0.00 1.56 -0.61 1.15 -0.60 0.00 0.00 178.31 179.81 3kfk h THR 477 N 0.01 1.49 0.00 -1.55 2.02 -1.96 -3.48 112.91 109.43 3kfk h THR 477 Ca -0.27 -2.24 0.00 0.00 0.77 0.00 0.00 66.41 64.67 3kfk h THR 477 Cb 2.03 2.86 0.00 0.00 -1.74 0.00 0.00 68.15 71.30 3kfk h THR 477 CO 0.21 0.64 0.00 0.61 0.37 0.00 0.00 175.52 177.34 3kfk n GLY 478 N 1.30 3.05 3.85 2.16 0.00 0.29 -5.05 105.19 110.79 3kfk n GLY 478 Ca -0.11 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 3kfk n GLY 478 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfk s ALA 479 N -0.08 3.01 0.01 4.61 0.00 -1.26 -4.76 121.76 123.29 3kfk s ALA 479 Ca 0.00 0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.75 3kfk s ALA 479 Cb 0.00 -3.12 -0.06 0.00 0.00 0.00 0.00 23.12 19.94 3kfk s ALA 479 CO 0.00 -0.55 1.50 0.54 0.00 0.00 0.00 175.76 177.24 3kfk s VAL 480 N -2.85 3.52 0.20 0.00 0.11 -1.26 -3.96 120.40 116.15 3kfk s VAL 480 Ca 0.58 0.89 0.07 0.00 -2.93 0.00 0.00 61.98 60.59 3kfk s VAL 480 Cb -0.11 -3.57 -0.05 0.00 -1.53 0.00 0.00 36.38 31.12 3kfk s VAL 480 CO 0.42 -0.01 -0.14 -1.61 -3.33 0.00 0.00 175.10 170.44 3kfk s GLU 481 N 2.67 1.29 -0.20 1.54 2.02 -0.52 -4.96 118.70 120.54 3kfk s GLU 481 Ca 0.67 -1.57 -0.29 0.00 0.02 0.00 0.00 54.97 53.80 3kfk s GLU 481 Cb -0.34 -1.04 -0.01 0.00 0.10 0.00 0.00 34.13 32.84 3kfk s GLU 481 CO 0.28 0.16 1.31 0.34 0.02 0.00 0.00 175.26 177.38 3kfk s ASP 482 N -3.30 6.81 0.43 -0.19 -1.08 -1.26 -1.59 116.67 116.49 3kfk s ASP 482 Ca 0.22 1.57 0.24 0.00 -0.52 0.00 0.00 52.55 54.05 3kfk s ASP 482 Cb -0.00 -2.54 0.74 0.00 -1.46 0.00 0.00 42.92 39.66 3kfk s ASP 482 CO 0.06 -0.90 1.74 0.24 0.52 0.00 0.00 175.17 176.84 3kfk h MET 483 N 8.75 0.00 -0.13 4.34 2.86 -1.15 -2.87 114.93 126.73 3kfk h MET 483 Ca -0.27 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.24 3kfk h MET 483 Cb 1.11 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 3kfk h MET 483 CO 0.99 0.20 -0.49 0.00 1.06 0.00 0.00 176.91 178.67 3kfk h GLU 485 N 0.27 0.00 0.00 0.00 5.08 -1.91 -3.33 114.58 114.69 3kfk h GLU 485 Ca 0.01 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 3kfk h GLU 485 Cb 0.96 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 3kfk h GLU 485 CO 0.08 0.04 -0.60 -0.91 -1.00 0.00 0.00 179.01 176.62 3kfk h ASN 486 N 0.00 0.00 0.00 1.42 4.21 -1.42 -3.48 115.58 116.31 3kfk h ASN 486 Ca -0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.50 3kfk h ASN 486 Cb 1.06 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.26 3kfk h ASN 486 CO 0.01 0.60 0.00 0.61 -1.29 0.00 0.00 177.43 177.36 3kfk n GLY 487 N 1.17 0.84 3.35 2.83 0.00 -1.07 -5.04 105.19 107.28 3kfk n GLY 487 Ca 0.01 -0.24 -0.46 0.00 0.00 0.00 0.00 46.02 45.34 3kfk n GLY 487 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kfk s VAL 488 N -2.00 5.33 -0.01 1.61 1.01 -1.00 -4.51 120.40 120.83 3kfk s VAL 488 Ca 0.00 -2.06 0.03 0.00 0.00 0.00 0.00 61.98 59.95 3kfk s VAL 488 Cb 0.00 -4.51 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 3kfk s VAL 488 CO 0.00 -1.11 -0.09 0.68 0.00 0.00 0.00 175.10 174.59 3kfk s VAL 489 N 1.03 0.67 0.07 2.92 -7.23 -1.26 -1.94 120.40 114.66 3kfk s VAL 489 Ca 0.18 -0.36 0.05 0.00 -1.81 0.00 0.00 61.98 60.04 3kfk s VAL 489 Cb -0.13 -0.57 -0.03 0.00 0.56 0.00 0.00 36.38 36.22 3kfk s VAL 489 CO -0.06 0.19 -0.14 -1.61 -0.31 0.00 0.00 175.10 173.17 3kfk s GLU 490 N -0.19 0.84 0.74 4.82 2.02 0.54 -4.77 118.70 122.70 3kfk s GLU 490 Ca 0.03 -0.94 -0.15 0.00 0.02 0.00 0.00 54.97 53.93 3kfk s GLU 490 Cb -0.03 -0.85 0.04 0.00 0.10 0.00 0.00 34.13 33.38 3kfk s GLU 490 CO -0.00 0.19 1.22 -2.30 0.02 0.00 0.00 175.26 174.39 3kfk n PRO 491 N 1.34 0.59 0.22 0.39 -0.02 -1.26 0.82 135.00 137.08 3kfk n PRO 491 Ca -0.21 0.27 0.06 0.00 -2.02 0.00 0.00 63.50 61.60 3kfk n PRO 491 Cb 0.54 -2.46 0.50 0.00 -0.02 0.00 0.00 33.50 32.07 3kfk n PRO 491 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3kfk h LEU 492 N -0.26 0.00 -1.51 2.45 5.85 -1.86 -2.65 115.31 117.32 3kfk h LEU 492 Ca -0.48 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.20 3kfk h LEU 492 Cb 1.32 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 3kfk h LEU 492 CO 0.49 0.24 -0.19 -0.09 -0.34 0.00 0.00 178.44 178.54 3kfk h ARG 493 N 0.00 0.00 -0.20 1.25 2.43 -1.91 -0.19 114.38 115.76 3kfk h ARG 493 Ca -0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 3kfk h ARG 493 Cb 0.46 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 3kfk h ARG 493 CO 0.03 0.19 -0.23 0.28 -1.51 0.00 0.00 179.97 178.74 3kfk h VAL 494 N 0.00 1.25 0.08 0.20 2.07 -1.78 -2.65 116.25 115.42 3kfk h VAL 494 Ca -0.00 -1.16 -0.37 0.00 0.82 0.00 0.00 66.70 65.99 3kfk h VAL 494 Cb 0.55 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 3kfk h VAL 494 CO 0.03 0.36 -2.18 0.29 0.02 0.00 0.00 177.57 176.09 3kfk n LYS 495 N -4.15 0.72 -0.12 1.57 4.76 -0.96 -3.82 118.16 116.16 3kfk n LYS 495 Ca -0.00 0.22 -0.13 0.00 -2.87 0.00 0.00 58.31 55.52 3kfk n LYS 495 Cb 0.37 -1.64 -0.03 0.00 -1.84 0.00 0.00 35.03 31.90 3kfk n LYS 495 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3kfk h THR 496 N 0.04 1.27 -0.33 -0.18 1.35 -1.13 -2.62 112.91 111.32 3kfk h THR 496 Ca -0.48 -1.56 -0.11 0.00 -0.55 0.00 0.00 66.41 63.71 3kfk h THR 496 Cb 1.98 1.41 -0.01 0.00 -1.73 0.00 0.00 68.15 69.81 3kfk h THR 496 CO 0.02 0.52 -0.22 -0.61 -0.25 0.00 0.00 175.52 174.98 3kfk h GLN 497 N 0.73 0.73 -0.37 4.72 5.75 -1.70 -2.70 115.11 122.27 3kfk h GLN 497 Ca 0.06 -0.34 -0.04 0.00 -0.15 0.00 0.00 58.65 58.18 3kfk h GLN 497 Cb 0.98 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.51 3kfk h GLN 497 CO 0.10 0.96 0.08 0.00 -2.65 0.00 0.00 178.83 177.31 3kfk h ALA 498 N 0.76 1.45 -0.02 3.38 0.00 -1.65 0.42 119.26 123.59 3kfk h ALA 498 Ca 0.07 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3kfk h ALA 498 Cb 0.77 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.41 3kfk h ALA 498 CO 0.06 0.40 -0.34 0.82 0.00 0.00 0.00 179.25 180.19 3kfk h ILE 499 N 0.53 1.48 -0.24 0.00 2.04 -1.50 -2.87 117.51 116.96 3kfk h ILE 499 Ca 0.12 -1.90 -0.10 0.00 1.00 0.00 0.00 64.86 63.98 3kfk h ILE 499 Cb 0.23 2.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 3kfk h ILE 499 CO -0.00 0.53 -0.26 -0.61 0.00 0.00 0.00 178.15 177.82 3kfk h GLN 500 N -0.32 0.47 -0.01 2.37 5.75 -1.29 0.61 115.11 122.69 3kfk h GLN 500 Ca -0.04 -0.18 -0.16 0.00 -0.15 0.00 0.00 58.65 58.13 3kfk h GLN 500 Cb 1.06 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.56 3kfk h GLN 500 CO 0.07 0.69 -0.72 0.66 -2.65 0.00 0.00 178.83 176.87 3kfk h SER 501 N 0.41 0.11 0.55 -0.69 4.64 -1.03 -2.72 113.55 114.82 3kfk h SER 501 Ca 0.06 -0.07 -0.29 0.00 -0.47 0.00 0.00 61.79 61.02 3kfk h SER 501 Cb 0.67 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 3kfk h SER 501 CO 0.05 0.79 -1.42 0.00 -0.87 0.00 0.00 176.83 175.38 3kfk h ALA 502 N 1.20 0.28 -0.09 5.18 0.00 -1.28 -3.20 119.26 121.35 3kfk h ALA 502 Ca -0.01 -1.07 -0.03 0.00 0.00 0.00 0.00 54.91 53.80 3kfk h ALA 502 Cb 1.28 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 3kfk h ALA 502 CO 0.10 1.15 -0.08 0.00 0.00 0.00 0.00 179.25 180.42 3kfk h ALA 503 N 0.60 0.13 0.00 0.00 0.00 -0.94 -2.33 119.26 116.72 3kfk h ALA 503 Ca -0.20 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 3kfk h ALA 503 Cb 1.98 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 3kfk h ALA 503 CO 0.16 -0.05 -0.26 0.93 0.00 0.00 0.00 179.25 180.03 3kfk h GLU 504 N -0.19 0.00 -0.04 0.00 5.08 -1.64 -0.96 114.58 116.84 3kfk h GLU 504 Ca 0.02 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 3kfk h GLU 504 Cb 0.57 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.83 3kfk h GLU 504 CO 0.02 0.26 -0.58 0.66 -1.00 0.00 0.00 179.01 178.37 3kfk h SER 505 N 0.00 0.57 0.64 1.42 4.64 -1.57 -3.09 113.55 116.17 3kfk h SER 505 Ca -0.00 -0.72 -0.11 0.00 -0.47 0.00 0.00 61.79 60.49 3kfk h SER 505 Cb 0.46 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 3kfk h SER 505 CO 0.03 1.21 -0.53 0.71 -0.87 0.00 0.00 176.83 177.39 3kfk h THR 506 N -0.01 1.28 -0.58 2.95 1.35 -1.25 -2.09 112.91 114.56 3kfk h THR 506 Ca -0.06 -1.86 -0.09 0.00 -0.55 0.00 0.00 66.41 63.84 3kfk h THR 506 Cb 1.27 2.03 -0.02 0.00 -1.73 0.00 0.00 68.15 69.70 3kfk h THR 506 CO 0.12 0.51 -0.01 -0.33 -0.25 0.00 0.00 175.52 175.56 3kfk h GLU 507 N 0.00 1.02 -0.11 4.72 5.08 -1.26 -2.31 114.58 121.72 3kfk h GLU 507 Ca -0.01 -0.32 -0.19 0.00 -1.00 0.00 0.00 59.36 57.84 3kfk h GLU 507 Cb 0.99 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 3kfk h GLU 507 CO 0.07 1.00 -0.73 1.98 -1.00 0.00 0.00 179.01 180.33 3kfk h MET 508 N 0.93 0.53 0.00 2.33 4.05 -1.43 -3.23 114.93 118.10 3kfk h MET 508 Ca 0.17 -0.42 -0.08 0.00 -0.28 0.00 0.00 59.70 59.09 3kfk h MET 508 Cb 0.55 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.43 3kfk h MET 508 CO 0.03 1.05 -0.37 -0.07 0.23 0.00 0.00 176.91 177.78 3kfk h LEU 509 N 0.36 0.00 -0.31 3.39 3.38 -1.31 -2.40 115.31 118.42 3kfk h LEU 509 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3kfk h LEU 509 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3kfk h LEU 509 CO 0.13 0.37 0.00 0.18 0.09 0.00 0.00 178.44 179.21 3kfk n LEU 510 N -3.67 0.48 -1.44 1.67 4.77 -0.88 -3.57 117.00 114.37 3kfk n LEU 510 Ca -0.01 -0.17 0.08 0.00 -0.03 0.00 0.00 56.01 55.88 3kfk n LEU 510 Cb 0.47 -0.01 0.34 0.00 -2.33 0.00 0.00 43.42 41.89 3kfk n LEU 510 CO 0.37 0.08 0.80 0.54 -1.33 0.00 0.00 177.39 177.85 3kfk n ARG 511 N -0.59 3.99 -4.66 3.23 1.74 -0.90 -4.91 116.66 114.56 3kfk n ARG 511 Ca 0.21 -3.00 -0.33 0.00 -0.77 0.00 0.00 57.85 53.95 3kfk n ARG 511 Cb 0.18 -2.06 -0.14 0.00 -1.02 0.00 0.00 32.46 29.42 3kfk n ARG 511 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kfk s ILE 512 N -2.72 3.03 0.00 0.55 1.01 -1.23 -4.97 121.20 116.86 3kfk s ILE 512 Ca 0.49 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.48 3kfk s ILE 512 Cb 0.38 -2.28 0.00 0.00 0.01 0.00 0.00 42.46 40.57 3kfk s ILE 512 CO 0.13 0.51 0.00 -0.90 0.00 0.00 0.00 174.94 174.69 3kfk n ASP 513 N 3.71 0.89 -3.84 3.58 5.75 -1.26 -4.56 116.55 120.82 3kfk n ASP 513 Ca -0.18 -0.24 -0.16 0.00 -0.01 0.00 0.00 54.79 54.19 3kfk n ASP 513 Cb 0.52 0.66 -0.16 0.00 -1.03 0.00 0.00 41.12 41.12 3kfk n ASP 513 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3kfk s ASP 514 N -0.84 0.39 -0.17 -1.12 -1.08 -1.26 -2.78 116.67 109.81 3kfk s ASP 514 Ca 0.00 -0.03 0.00 0.00 -0.52 0.00 0.00 52.55 52.00 3kfk s ASP 514 Cb 0.00 -0.18 0.01 0.00 -1.46 0.00 0.00 42.92 41.29 3kfk s ASP 514 CO 0.00 -0.07 -0.16 -0.69 0.52 0.00 0.00 175.17 174.77 3kfk s VAL 515 N 0.76 2.46 -0.33 1.11 1.01 -1.26 -5.05 120.40 119.10 3kfk s VAL 515 Ca -0.08 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 3kfk s VAL 515 Cb -0.11 -2.04 0.06 0.00 0.00 0.00 0.00 36.38 34.29 3kfk s VAL 515 CO -0.01 0.52 0.06 -0.63 0.00 0.00 0.00 175.10 175.04 3kfk s ILE 516 N 1.05 3.21 -0.30 2.22 1.01 -1.26 -4.00 121.20 123.13 3kfk s ILE 516 Ca -0.01 -1.47 0.01 0.00 0.00 0.00 0.00 60.65 59.18 3kfk s ILE 516 Cb -0.14 -2.92 0.09 0.00 0.01 0.00 0.00 42.46 39.50 3kfk s ILE 516 CO -0.05 -0.24 0.05 0.00 0.00 0.00 0.00 174.94 174.70 3kfk s ALA 517 N 1.26 2.11 0.84 9.38 0.00 -1.03 -5.04 121.76 129.28 3kfk s ALA 517 Ca -0.02 -1.90 -0.12 0.00 0.00 0.00 0.00 51.96 49.93 3kfk s ALA 517 Cb -0.20 -1.70 0.12 0.00 0.00 0.00 0.00 23.12 21.34 3kfk s ALA 517 CO -0.01 -1.56 1.19 0.00 0.00 0.00 0.00 175.76 175.38 3kfk s ALA 518 N 1.32 2.65 0.00 0.00 0.00 -1.26 -2.75 121.76 121.71 3kfk s ALA 518 Ca 0.07 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.08 3kfk s ALA 518 Cb -0.18 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.15 3kfk s ALA 518 CO -0.15 -1.86 0.00 -1.91 0.00 0.00 0.00 175.76 171.84