#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 0.85 -4.08 -3.83 2.81 -1.26 -4.96 117.12 106.65 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 -1.91 0.82 -0.15 0.03 1.02 -1.02 -5.04 119.74 113.48 3kfk s LYS 13 Ca 0.00 -0.07 -0.13 0.00 0.02 0.00 0.00 55.97 55.79 3kfk s LYS 13 Cb 0.00 -0.90 0.04 0.00 -0.52 0.00 0.00 37.83 36.46 3kfk s LYS 13 CO 0.00 -0.13 0.40 0.50 -0.92 0.00 0.00 175.35 175.20 3kfk s ARG 14 N 1.15 0.44 -0.02 1.68 3.52 -1.26 -2.30 118.95 122.17 3kfk s ARG 14 Ca -0.07 0.61 0.05 0.00 -0.13 0.00 0.00 55.73 56.18 3kfk s ARG 14 Cb -0.14 0.16 -0.03 0.00 -1.56 0.00 0.00 34.95 33.39 3kfk s ARG 14 CO -0.01 -0.08 -0.15 0.71 -0.81 0.00 0.00 175.30 174.95 3kfk s TYR 15 N 0.50 2.66 -0.32 5.12 2.02 -1.26 -5.03 117.35 121.05 3kfk s TYR 15 Ca -0.02 -0.19 -0.12 0.00 -0.37 0.00 0.00 57.07 56.37 3kfk s TYR 15 Cb -0.04 -1.58 -0.02 0.00 -0.40 0.00 0.00 41.96 39.91 3kfk s TYR 15 CO -0.03 0.20 0.21 -1.64 -1.57 0.00 0.00 175.55 172.72 3kfk s MET 16 N -0.94 3.58 1.77 -0.62 -1.94 -1.26 -4.20 119.30 115.68 3kfk s MET 16 Ca 0.13 -0.58 0.00 0.00 -1.71 0.00 0.00 55.69 53.53 3kfk s MET 16 Cb -0.11 -3.71 0.00 0.00 2.01 0.00 0.00 34.83 33.02 3kfk s MET 16 CO 0.02 -0.37 0.00 0.41 -0.01 0.00 0.00 175.02 175.07 3kfk n GLY 17 N 5.07 0.36 0.18 -0.03 0.00 -1.14 -1.45 105.19 108.17 3kfk n GLY 17 Ca -0.13 0.57 0.02 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.40 114.38 115.74 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 0.41 -0.09 -0.25 -1.07 0.00 0.00 179.97 178.97 3kfk n ASP 19 N -4.00 0.65 -0.06 7.04 8.00 -0.53 -2.85 116.55 124.80 3kfk n ASP 19 Ca -0.02 0.48 -0.17 0.00 0.71 0.00 0.00 54.79 55.79 3kfk n ASP 19 Cb 0.45 -0.59 -0.13 0.00 -0.02 0.00 0.00 41.12 40.82 3kfk n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kfk n ALA 20 N -1.73 1.23 -0.13 2.24 0.00 -0.95 -3.55 120.51 117.63 3kfk n ALA 20 Ca 0.06 -0.89 -0.12 0.00 0.00 0.00 0.00 53.44 52.49 3kfk n ALA 20 Cb 0.41 -0.42 -0.02 0.00 0.00 0.00 0.00 19.45 19.42 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 0.03 0.79 0.00 0.00 4.20 -1.36 -2.74 115.11 116.02 3kfk h GLN 21 Ca -0.48 -0.34 -0.10 0.00 0.06 0.00 0.00 58.65 57.80 3kfk h GLN 21 Cb 2.01 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.74 3kfk h GLN 21 CO 0.01 0.96 -0.46 -0.09 -0.67 0.00 0.00 178.83 178.59 3kfk h ARG 22 N 0.60 0.00 -0.24 1.46 2.43 -1.73 -2.52 114.38 114.37 3kfk h ARG 22 Ca 0.09 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.10 3kfk h ARG 22 Cb 0.71 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 3kfk h ARG 22 CO 0.05 0.46 -0.50 1.98 -1.51 0.00 0.00 179.97 180.45 3kfk h MET 23 N 0.00 0.66 0.12 0.20 4.05 -1.59 -2.53 114.93 115.84 3kfk h MET 23 Ca -0.00 -0.39 -0.27 0.00 -0.28 0.00 0.00 59.70 58.76 3kfk h MET 23 Cb 1.02 0.03 0.01 0.00 -0.80 0.00 0.00 31.60 31.86 3kfk h MET 23 CO 0.06 1.00 -1.21 -0.91 0.23 0.00 0.00 176.91 176.08 3kfk h ASN 24 N 0.52 0.50 -0.33 1.39 4.21 -1.43 -3.06 115.58 117.38 3kfk h ASN 24 Ca 0.02 -0.50 -0.16 0.00 1.21 0.00 0.00 56.30 56.87 3kfk h ASN 24 Cb 1.05 -0.16 -0.00 0.00 -1.12 0.00 0.00 38.32 38.09 3kfk h ASN 24 CO 0.10 1.37 -0.43 0.40 -1.29 0.00 0.00 177.43 177.58 3kfk h ILE 25 N 0.11 1.28 -0.26 2.81 2.04 -1.51 -2.93 117.51 119.05 3kfk h ILE 25 Ca -0.14 -1.61 -0.10 0.00 1.00 0.00 0.00 64.86 64.02 3kfk h ILE 25 Cb 1.92 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 39.51 3kfk h ILE 25 CO 0.21 0.53 -0.24 0.25 0.00 0.00 0.00 178.15 178.89 3kfk h LEU 26 N 0.66 0.50 -0.86 1.44 6.46 -1.56 -2.42 115.31 119.53 3kfk h LEU 26 Ca 0.04 -0.17 -0.12 0.00 -0.12 0.00 0.00 57.88 57.51 3kfk h LEU 26 Cb 1.03 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 3kfk h LEU 26 CO 0.10 0.74 -0.50 0.00 -0.62 0.00 0.00 178.44 178.17 3kfk h ALA 27 N 1.30 1.04 0.00 1.25 0.00 -1.52 -1.88 119.26 119.45 3kfk h ALA 27 Ca 0.07 -0.47 -0.20 0.00 0.00 0.00 0.00 54.91 54.31 3kfk h ALA 27 Cb 0.66 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3kfk h ALA 27 CO 0.05 0.65 -0.93 0.78 0.00 0.00 0.00 179.25 179.80 3kfk h GLY 28 N 1.39 0.01 1.67 0.00 0.00 -1.38 -3.31 103.07 101.46 3kfk h GLY 28 Ca 0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 47.33 47.07 3kfk h GLY 28 CO 0.07 0.02 -1.10 3.21 0.00 0.00 0.00 176.54 178.74 3kfk h ARG 29 N 0.00 0.26 -0.03 4.80 3.08 -1.32 -3.15 114.38 118.03 3kfk h ARG 29 Ca -0.01 -0.38 -0.11 0.00 0.07 0.00 0.00 59.98 59.55 3kfk h ARG 29 Cb 1.64 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.80 3kfk h ARG 29 CO 0.12 1.13 -0.51 0.97 -1.07 0.00 0.00 179.97 180.62 3kfk h ILE 30 N 0.10 1.36 0.00 2.04 2.10 -1.45 -2.35 117.51 119.31 3kfk h ILE 30 Ca -0.10 -1.75 0.00 0.00 1.08 0.00 0.00 64.86 64.09 3kfk h ILE 30 Cb 1.80 1.91 0.00 0.00 -1.09 0.00 0.00 36.82 39.43 3kfk h ILE 30 CO 0.18 0.51 -0.44 0.16 -1.08 0.00 0.00 178.15 177.48 3kfk h ILE 31 N 0.07 0.00 -0.03 2.19 3.07 -1.68 -3.28 117.51 117.85 3kfk h ILE 31 Ca -0.00 -0.89 -0.20 0.00 1.55 0.00 0.00 64.86 65.32 3kfk h ILE 31 Cb 0.92 1.66 -0.00 0.00 -0.27 0.00 0.00 36.82 39.13 3kfk h ILE 31 CO 0.07 0.00 -0.83 0.00 -1.05 0.00 0.00 178.15 176.34 3kfk h ALA 32 N 2.11 0.51 0.00 0.16 0.00 -1.42 -3.13 119.26 117.49 3kfk h ALA 32 Ca 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 3kfk h ALA 32 Cb 0.95 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 3kfk h ALA 32 CO 0.00 0.82 -0.05 0.93 0.00 0.00 0.00 179.25 180.94 3kfk h GLU 33 N 0.22 0.00 -0.03 0.00 5.08 -1.51 -2.15 114.58 116.18 3kfk h GLU 33 Ca -0.05 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 3kfk h GLU 33 Cb 1.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 3kfk h GLU 33 CO 0.14 0.05 -0.50 1.15 -1.00 0.00 0.00 179.01 178.85 3kfk h THR 34 N 0.00 1.36 -0.30 1.13 2.02 -1.60 -3.17 112.91 112.35 3kfk h THR 34 Ca -0.00 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 65.44 3kfk h THR 34 Cb 0.67 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 3kfk h THR 34 CO 0.01 0.50 0.00 1.33 0.37 0.00 0.00 175.52 177.73 3kfk n VAL 35 N -3.94 0.85 0.15 3.16 0.24 -1.14 -4.62 118.33 113.03 3kfk n VAL 35 Ca -0.02 -0.93 0.02 0.00 -2.04 0.00 0.00 64.34 61.38 3kfk n VAL 35 Cb 0.53 0.61 0.12 0.00 -1.47 0.00 0.00 33.84 33.62 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 2.10 0.00 0.00 7.34 2.43 -1.36 -3.20 114.38 121.70 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 0.70 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 3kfk h ARG 36 CO 0.00 0.52 -0.36 -1.13 -1.51 0.00 0.00 179.97 177.49 3kfk n SER 37 N -3.35 0.38 0.20 -3.80 3.41 -1.26 -3.92 113.62 105.28 3kfk n SER 37 Ca 0.01 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.73 3kfk n SER 37 Cb 0.68 0.01 0.14 0.00 -0.26 0.00 0.00 64.21 64.78 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 0.13 -3.77 6.66 1.35 -1.71 0.12 112.91 115.69 3kfk h THR 38 Ca 0.00 -1.18 -0.51 0.00 -0.55 0.00 0.00 66.41 64.17 3kfk h THR 38 Cb 0.52 2.03 0.02 0.00 -1.73 0.00 0.00 68.15 68.99 3kfk h THR 38 CO 0.00 0.07 0.51 -0.22 -0.25 0.00 0.00 175.52 175.64 3kfk s LEU 39 N -6.18 4.52 0.00 3.87 0.20 -1.25 -4.08 118.68 115.75 3kfk s LEU 39 Ca 0.06 2.33 0.00 0.00 0.69 0.00 0.00 54.13 57.21 3kfk s LEU 39 Cb 0.06 -3.63 0.00 0.00 -0.43 0.00 0.00 46.19 42.19 3kfk s LEU 39 CO 0.69 -0.24 0.00 0.61 -0.29 0.00 0.00 176.35 177.12 3kfk n GLY 40 N 1.28 2.36 0.32 7.98 0.00 -1.26 -4.15 105.19 111.73 3kfk n GLY 40 Ca -0.00 -1.86 0.09 0.00 0.00 0.00 0.00 46.02 44.25 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 0.33 -1.53 1.61 0.11 -1.91 -0.45 132.00 130.15 3kfk h PRO 41 Ca 0.00 -0.02 -0.72 0.00 0.11 0.00 0.00 66.00 65.37 3kfk h PRO 41 Cb 0.00 -0.07 -0.29 0.00 0.11 0.00 0.00 31.00 30.74 3kfk h PRO 41 CO 0.00 0.22 0.81 1.63 -0.21 0.00 0.00 178.00 180.45 3kfk n LYS 42 N -4.48 2.80 -2.51 1.05 5.02 -1.26 -4.92 118.16 113.86 3kfk n LYS 42 Ca 0.05 -3.52 -0.25 0.00 -2.02 0.00 0.00 58.31 52.57 3kfk n LYS 42 Cb 0.22 -2.28 0.03 0.00 -0.02 0.00 0.00 35.03 32.99 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 -1.62 1.62 0.23 0.72 0.00 -0.18 -4.57 107.32 103.53 3kfk s GLY 43 Ca 0.57 -0.83 0.05 0.00 0.00 0.00 0.00 44.72 44.50 3kfk s GLY 43 CO -0.23 -0.56 0.35 1.06 0.00 0.00 0.00 173.10 173.72 3kfk s MET 44 N -4.91 3.44 0.27 2.90 1.00 0.41 -4.94 119.30 117.46 3kfk s MET 44 Ca 0.54 -0.75 0.07 0.00 0.00 0.00 0.00 55.69 55.55 3kfk s MET 44 Cb -0.10 -2.89 -0.03 0.00 0.00 0.00 0.00 34.83 31.80 3kfk s MET 44 CO 0.43 0.44 0.23 -0.51 0.00 0.00 0.00 175.02 175.61 3kfk s ASP 45 N -3.92 5.53 -0.07 3.03 1.11 -1.26 -4.13 116.67 116.96 3kfk s ASP 45 Ca 0.34 -0.28 0.04 0.00 0.18 0.00 0.00 52.55 52.82 3kfk s ASP 45 Cb -0.09 -1.34 0.00 0.00 1.07 0.00 0.00 42.92 42.56 3kfk s ASP 45 CO 0.29 -0.11 -0.18 -0.54 1.18 0.00 0.00 175.17 175.81 3kfk s LYS 46 N -3.89 2.14 -0.20 8.23 -0.14 -0.70 -4.98 119.74 120.20 3kfk s LYS 46 Ca 0.35 -0.63 -0.07 0.00 -1.36 0.00 0.00 55.97 54.26 3kfk s LYS 46 Cb -0.08 -1.74 -0.03 0.00 -1.68 0.00 0.00 37.83 34.30 3kfk s LYS 46 CO 0.26 0.16 0.04 1.41 -0.76 0.00 0.00 175.35 176.45 3kfk s MET 47 N 0.33 3.80 -0.21 1.68 -2.45 -1.26 -1.48 119.30 119.71 3kfk s MET 47 Ca -0.12 -0.43 -0.02 0.00 -1.25 0.00 0.00 55.69 53.87 3kfk s MET 47 Cb -0.15 -3.18 0.00 0.00 1.25 0.00 0.00 34.83 32.75 3kfk s MET 47 CO 0.05 0.11 -0.09 -0.51 1.05 0.00 0.00 175.02 175.63 3kfk s LEU 48 N 0.78 2.70 -0.33 4.11 1.02 -1.03 -5.03 118.68 120.90 3kfk s LEU 48 Ca 0.02 -0.53 -0.04 0.00 0.02 0.00 0.00 54.13 53.61 3kfk s LEU 48 Cb -0.14 -1.65 0.05 0.00 0.02 0.00 0.00 46.19 44.47 3kfk s LEU 48 CO 0.02 -0.03 0.08 -0.69 0.02 0.00 0.00 176.35 175.75 3kfk s VAL 49 N 1.40 3.40 0.00 -1.59 1.01 -1.26 -3.67 120.40 119.69 3kfk s VAL 49 Ca 0.05 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 60.67 3kfk s VAL 49 Cb -0.14 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.25 3kfk s VAL 49 CO -0.06 -0.22 0.00 -0.90 0.00 0.00 0.00 175.10 173.92 3kfk n ASP 50 N 4.71 0.00 0.07 3.32 5.75 -1.25 -4.94 116.55 124.20 3kfk n ASP 50 Ca -0.12 -0.58 -0.01 0.00 -0.01 0.00 0.00 54.79 54.08 3kfk n ASP 50 Cb 0.44 0.00 0.27 0.00 -1.03 0.00 0.00 41.12 40.80 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 0.33 1.46 -1.12 3.04 -1.97 -2.97 116.42 115.20 3kfk h ASP 51 Ca 0.00 -0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.69 3kfk h ASP 51 Cb 0.00 -0.09 0.00 0.00 -1.04 0.00 0.00 39.33 38.20 3kfk h ASP 51 CO 0.00 0.58 0.00 -0.07 -2.04 0.00 0.00 179.24 177.71 3kfk h LEU 52 N 0.30 0.00 0.00 0.15 3.38 -2.03 -3.46 115.31 113.65 3kfk h LEU 52 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3kfk h LEU 52 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3kfk h LEU 52 CO 0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.18 3kfk n GLY 53 N 0.73 0.70 3.71 0.83 0.00 -1.12 -5.04 105.19 104.99 3kfk n GLY 53 Ca 0.03 -0.02 -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 -2.01 6.98 -0.13 1.61 1.01 -1.26 -4.90 116.67 117.96 3kfk s ASP 54 Ca 0.00 2.07 -0.05 0.00 0.71 0.00 0.00 52.55 55.28 3kfk s ASP 54 Cb 0.00 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 3kfk s ASP 54 CO 0.00 -0.57 0.06 0.54 0.21 0.00 0.00 175.17 175.41 3kfk s VAL 55 N 1.47 4.80 -0.19 -1.27 0.11 -1.26 -3.90 120.40 120.16 3kfk s VAL 55 Ca 0.60 -0.05 -0.11 0.00 -2.93 0.00 0.00 61.98 59.50 3kfk s VAL 55 Cb -0.31 -3.09 0.06 0.00 -1.53 0.00 0.00 36.38 31.51 3kfk s VAL 55 CO 0.28 0.56 0.46 0.54 -3.33 0.00 0.00 175.10 173.61 3kfk s VAL 56 N -0.46 -0.02 -0.19 2.04 0.11 -1.24 -5.05 120.40 115.58 3kfk s VAL 56 Ca 0.10 0.07 -0.04 0.00 -2.93 0.00 0.00 61.98 59.18 3kfk s VAL 56 Cb -0.12 -0.68 -0.02 0.00 -1.53 0.00 0.00 36.38 34.03 3kfk s VAL 56 CO 0.02 0.03 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.11 3kfk s VAL 57 N 1.41 3.81 -0.04 2.04 1.01 -1.26 -2.45 120.40 124.91 3kfk s VAL 57 Ca -0.09 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 3kfk s VAL 57 Cb -0.08 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.61 3kfk s VAL 57 CO -0.14 0.45 0.20 0.28 0.00 0.00 0.00 175.10 175.89 3kfk s THR 58 N 0.90 0.04 -0.13 3.92 -1.32 -0.55 -4.96 115.64 113.54 3kfk s THR 58 Ca 0.00 -0.29 0.16 0.00 -1.21 0.00 0.00 61.69 60.35 3kfk s THR 58 Cb -0.14 -0.38 -0.24 0.00 -1.51 0.00 0.00 72.50 70.23 3kfk s THR 58 CO 0.02 -0.16 0.37 -3.20 -2.21 0.00 0.00 174.62 169.43 3kfk n ASN 59 N 2.25 0.39 -4.68 8.08 2.85 -1.26 -1.73 115.26 121.17 3kfk n ASN 59 Ca -0.17 0.19 -0.47 0.00 -0.11 0.00 0.00 54.58 54.01 3kfk n ASN 59 Cb 0.57 0.58 -0.04 0.00 1.24 0.00 0.00 39.78 42.13 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 -2.85 3.48 -0.03 1.20 2.03 -1.26 -4.89 116.55 114.24 3kfk n ASP 60 Ca -0.24 0.98 -0.00 0.00 0.52 0.00 0.00 54.79 56.05 3kfk n ASP 60 Cb 1.07 -1.40 0.29 0.00 -0.72 0.00 0.00 41.12 40.36 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 8.84 0.63 1.83 0.27 0.00 -1.92 -3.11 103.07 109.60 3kfk h GLY 61 Ca -0.48 -0.35 -0.19 0.00 0.00 0.00 0.00 47.33 46.30 3kfk h GLY 61 CO 0.94 0.33 -0.87 -0.24 0.00 0.00 0.00 176.54 176.69 3kfk h VAL 62 N 0.56 1.52 0.00 4.60 3.04 -1.90 -3.22 116.25 120.85 3kfk h VAL 62 Ca 0.13 -2.69 -0.05 0.00 -1.01 0.00 0.00 66.70 63.07 3kfk h VAL 62 Cb 0.28 2.50 -0.01 0.00 -2.01 0.00 0.00 31.29 32.05 3kfk h VAL 62 CO 0.00 0.78 -0.25 0.71 -1.01 0.00 0.00 177.57 177.80 3kfk h THR 63 N 0.08 0.55 0.01 3.17 1.35 -1.95 -3.03 112.91 113.10 3kfk h THR 63 Ca -0.04 -1.30 -0.00 0.00 -0.55 0.00 0.00 66.41 64.52 3kfk h THR 63 Cb 1.51 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 69.83 3kfk h THR 63 CO 0.13 0.25 -0.01 0.40 -0.25 0.00 0.00 175.52 176.04 3kfk h ILE 64 N 0.00 1.46 0.00 6.82 2.04 -1.57 -3.30 117.51 122.96 3kfk h ILE 64 Ca -0.00 -1.48 -0.06 0.00 1.00 0.00 0.00 64.86 64.32 3kfk h ILE 64 Cb 0.88 2.45 -0.01 0.00 -0.74 0.00 0.00 36.82 39.40 3kfk h ILE 64 CO 0.03 0.38 -0.27 -0.07 0.00 0.00 0.00 178.15 178.22 3kfk h LEU 65 N -0.66 0.00 0.13 1.44 3.38 -1.57 -3.02 115.31 115.01 3kfk h LEU 65 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.72 3kfk h LEU 65 Cb 0.63 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.41 3kfk h LEU 65 CO 0.00 0.27 -1.03 0.03 0.09 0.00 0.00 178.44 177.80 3kfk h ARG 66 N 0.00 0.47 -0.19 1.13 3.08 -1.66 -3.37 114.38 113.84 3kfk h ARG 66 Ca -0.00 -0.68 0.00 0.00 0.07 0.00 0.00 59.98 59.37 3kfk h ARG 66 Cb 0.63 0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.91 3kfk h ARG 66 CO 0.04 1.30 0.00 0.39 -1.07 0.00 0.00 179.97 180.63 3kfk n GLU 67 N -3.96 2.21 -3.65 0.04 1.02 -1.23 -4.95 120.64 110.12 3kfk n GLU 67 Ca -0.14 -2.00 -0.23 0.00 -0.02 0.00 0.00 57.16 54.78 3kfk n GLU 67 Cb 0.90 -1.45 -0.02 0.00 -0.02 0.00 0.00 31.44 30.86 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 -1.61 3.47 -0.68 3.49 0.23 -1.14 -4.93 119.30 118.13 3kfk s MET 68 Ca 0.30 -0.50 -0.27 0.00 -1.03 0.00 0.00 55.69 54.19 3kfk s MET 68 Cb 0.20 -2.77 0.01 0.00 -1.53 0.00 0.00 34.83 30.73 3kfk s MET 68 CO 0.28 0.29 1.48 -1.12 -2.03 0.00 0.00 175.02 173.92 3kfk s SER 69 N -3.91 5.88 -0.10 -1.18 0.01 -1.26 -4.98 113.70 108.17 3kfk s SER 69 Ca 0.37 -0.11 0.04 0.00 1.31 0.00 0.00 55.95 57.57 3kfk s SER 69 Cb -0.10 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.59 3kfk s SER 69 CO 0.32 -1.98 -0.23 -0.69 0.41 0.00 0.00 173.24 171.07 3kfk s VAL 70 N 6.80 2.01 0.00 3.43 1.01 -1.26 -5.02 120.40 127.36 3kfk s VAL 70 Ca 0.47 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.47 3kfk s VAL 70 Cb -0.10 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.54 3kfk s VAL 70 CO 0.18 0.55 0.00 -0.62 0.00 0.00 0.00 175.10 175.21 3kfk n GLU 71 N 3.57 3.03 -2.22 2.72 -0.58 -1.26 -4.97 120.64 120.92 3kfk n GLU 71 Ca -0.19 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.13 3kfk n GLU 71 Cb 0.53 -0.63 -0.03 0.00 -0.57 0.00 0.00 31.44 30.74 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 -1.03 3.28 0.29 -0.32 2.46 -1.26 -4.94 115.29 113.78 3kfk s HIS 72 Ca 0.00 1.03 0.01 0.00 0.47 0.00 0.00 55.06 56.57 3kfk s HIS 72 Cb 0.00 -3.63 0.55 0.00 -0.13 0.00 0.00 32.58 29.37 3kfk s HIS 72 CO 0.00 -2.15 1.85 -1.35 -2.47 0.00 0.00 174.74 170.63 3kfk h PRO 73 N 6.76 0.98 0.00 2.88 0.11 -2.00 -2.06 132.00 138.67 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 0.85 0.65 -0.64 0.00 -0.21 0.00 0.00 178.00 178.65 3kfk h ALA 74 N 1.53 0.85 0.00 -0.75 0.00 -1.92 -3.22 119.26 115.75 3kfk h ALA 74 Ca 0.48 -0.58 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 3kfk h ALA 74 Cb 0.43 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3kfk h ALA 74 CO -0.24 0.80 -0.86 0.00 0.00 0.00 0.00 179.25 178.95 3kfk h ALA 75 N 1.36 0.56 0.00 0.00 0.00 -1.63 -3.25 119.26 116.30 3kfk h ALA 75 Ca -0.01 -0.73 -0.07 0.00 0.00 0.00 0.00 54.91 54.11 3kfk h ALA 75 Cb 1.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3kfk h ALA 75 CO 0.08 0.94 -0.32 0.87 0.00 0.00 0.00 179.25 180.83 3kfk h LYS 76 N 0.08 0.00 0.00 0.00 1.57 -1.44 -2.91 116.57 113.86 3kfk h LYS 76 Ca -0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3kfk h LYS 76 Cb 1.49 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.80 3kfk h LYS 76 CO 0.13 0.32 -0.03 0.52 -0.57 0.00 0.00 179.45 179.82 3kfk h MET 77 N 0.00 0.00 0.00 3.15 2.86 -1.60 -3.09 114.93 116.24 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 0.74 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.40 3kfk h MET 77 CO 0.04 0.03 -0.46 -0.11 1.06 0.00 0.00 176.91 177.47 3kfk n LEU 78 N -3.11 0.46 -0.44 1.22 7.94 -1.10 -3.52 117.00 118.44 3kfk n LEU 78 Ca 0.03 0.04 0.04 0.00 -1.11 0.00 0.00 56.01 55.00 3kfk n LEU 78 Cb 0.45 -0.27 0.10 0.00 0.53 0.00 0.00 43.42 44.23 3kfk n LEU 78 CO 0.32 0.11 0.58 -0.38 -1.11 0.00 0.00 177.39 176.91 3kfk n ILE 79 N -1.50 0.33 0.40 1.96 5.41 -1.17 -3.21 119.36 121.58 3kfk n ILE 79 Ca 0.06 -0.31 0.11 0.00 1.00 0.00 0.00 62.75 63.61 3kfk n ILE 79 Cb 0.34 0.12 -0.15 0.00 -0.71 0.00 0.00 39.64 39.24 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 0.16 0.39 -0.02 0.38 -0.58 -1.23 -3.73 120.64 116.00 3kfk n GLU 80 Ca 0.08 -0.12 -0.12 0.00 -0.42 0.00 0.00 57.16 56.57 3kfk n GLU 80 Cb 0.21 -1.51 -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 -1.77 -2.70 116.25 117.85 3kfk h VAL 81 Ca 0.00 -1.59 -0.12 0.00 0.82 0.00 0.00 66.70 65.81 3kfk h VAL 81 Cb 0.80 2.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.95 3kfk h VAL 81 CO 0.00 0.39 -0.55 0.00 0.02 0.00 0.00 177.57 177.43 3kfk h ALA 82 N 0.10 1.08 -0.20 1.67 0.00 -1.78 -1.52 119.26 118.61 3kfk h ALA 82 Ca -0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 3kfk h ALA 82 Cb 0.67 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3kfk h ALA 82 CO 0.01 0.69 -0.28 -0.22 0.00 0.00 0.00 179.25 179.45 3kfk h LYS 83 N 0.00 0.38 -0.01 0.00 3.64 -1.65 -1.45 116.57 117.48 3kfk h LYS 83 Ca -0.01 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3kfk h LYS 83 Cb 0.98 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 3kfk h LYS 83 CO 0.07 0.63 -0.14 0.25 -2.27 0.00 0.00 179.45 177.99 3kfk n THR 84 N -4.12 0.00 0.03 1.00 -2.24 -1.02 -3.14 114.28 104.80 3kfk n THR 84 Ca -0.01 -0.21 -0.22 0.00 -2.27 0.00 0.00 64.05 61.34 3kfk n THR 84 Cb 0.40 0.55 -0.14 0.00 -2.10 0.00 0.00 70.33 69.04 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 1.97 0.31 0.00 -0.78 5.75 -0.62 -3.05 115.11 118.69 3kfk h GLN 85 Ca 0.00 -0.53 -0.03 0.00 -0.15 0.00 0.00 58.65 57.94 3kfk h GLN 85 Cb 0.55 0.20 -0.00 0.00 1.07 0.00 0.00 27.48 29.29 3kfk h GLN 85 CO 0.00 1.26 -0.13 1.05 -2.65 0.00 0.00 178.83 178.35 3kfk h GLU 86 N -0.01 0.00 0.16 1.69 4.11 -1.41 0.18 114.58 119.29 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 2.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.25 3kfk h GLU 86 CO 0.11 0.13 -1.43 -0.22 0.07 0.00 0.00 179.01 177.68 3kfk h LYS 87 N 0.00 0.33 0.04 1.06 1.63 -1.68 -3.32 116.57 114.64 3kfk h LYS 87 Ca -0.00 -0.57 -0.34 0.00 -0.85 0.00 0.00 60.65 58.88 3kfk h LYS 87 Cb 0.84 0.21 -0.04 0.00 -0.60 0.00 0.00 32.23 32.65 3kfk h LYS 87 CO 0.02 1.24 -1.94 0.39 -3.45 0.00 0.00 179.45 175.72 3kfk n GLU 88 N -3.55 0.65 -0.01 1.90 -0.58 -1.15 -4.88 120.64 113.02 3kfk n GLU 88 Ca -0.14 0.35 -0.02 0.00 -0.42 0.00 0.00 57.16 56.92 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 -3.89 0.73 0.00 2.62 0.31 -0.23 -5.08 118.33 112.79 3kfk n VAL 89 Ca -0.38 0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 3kfk n VAL 89 Cb 0.89 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 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 2.61 2.65 3.83 2.92 0.00 0.45 -4.76 105.19 112.89 3kfk n GLY 90 Ca -0.03 -0.83 -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 6.77 0.00 1.61 2.15 -1.26 -4.38 116.67 121.56 3kfk s ASP 91 Ca 0.00 0.92 0.00 0.00 0.43 0.00 0.00 52.55 53.90 3kfk s ASP 91 Cb 0.00 -2.24 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 3kfk s ASP 91 CO 0.00 0.31 0.00 0.61 -0.17 0.00 0.00 175.17 175.92 3kfk n GLY 92 N 1.91 1.61 0.14 2.66 0.00 -1.26 -4.80 105.19 105.46 3kfk n GLY 92 Ca -0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 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 1.46 -0.21 2.61 1.35 -1.91 -2.87 112.91 113.34 3kfk h THR 93 Ca 0.00 -2.36 -0.13 0.00 -0.55 0.00 0.00 66.41 63.37 3kfk h THR 93 Cb 0.00 2.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 3kfk h THR 93 CO 0.00 0.69 -0.38 0.74 -0.25 0.00 0.00 175.52 176.32 3kfk h THR 94 N 0.12 1.32 -0.21 6.82 2.02 -1.95 -3.28 112.91 117.77 3kfk h THR 94 Ca -0.03 -1.60 -0.06 0.00 0.77 0.00 0.00 66.41 65.49 3kfk h THR 94 Cb 1.33 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 69.56 3kfk h THR 94 CO 0.11 0.50 -0.15 0.71 0.37 0.00 0.00 175.52 177.06 3kfk h THR 95 N 0.31 1.21 0.00 3.16 1.35 -1.95 -2.86 112.91 114.14 3kfk h THR 95 Ca 0.01 -0.95 -0.07 0.00 -0.55 0.00 0.00 66.41 64.86 3kfk h THR 95 Cb 0.98 1.23 -0.01 0.00 -1.73 0.00 0.00 68.15 68.61 3kfk h THR 95 CO 0.09 0.30 -0.32 0.00 -0.25 0.00 0.00 175.52 175.34 3kfk h ALA 96 N 1.53 1.13 0.13 6.62 0.00 -1.56 -2.99 119.26 124.11 3kfk h ALA 96 Ca 0.06 -0.29 -0.29 0.00 0.00 0.00 0.00 54.91 54.39 3kfk h ALA 96 Cb 0.46 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3kfk h ALA 96 CO 0.03 0.40 -1.45 0.28 0.00 0.00 0.00 179.25 178.51 3kfk h VAL 97 N 0.00 1.03 -0.76 0.00 2.07 -1.58 -3.30 116.25 113.71 3kfk h VAL 97 Ca -0.00 -2.42 -0.03 0.00 0.82 0.00 0.00 66.70 65.06 3kfk h VAL 97 Cb 0.73 2.74 -0.03 0.00 -1.52 0.00 0.00 31.29 33.21 3kfk h VAL 97 CO 0.04 0.73 0.34 0.58 0.02 0.00 0.00 177.57 179.29 3kfk h VAL 98 N -0.24 1.25 -0.50 2.57 2.07 -1.55 -2.39 116.25 117.46 3kfk h VAL 98 Ca -0.31 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 3kfk h VAL 98 Cb 1.81 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 3kfk h VAL 98 CO 0.08 0.30 0.28 0.58 0.02 0.00 0.00 177.57 178.83 3kfk h VAL 99 N 1.08 1.17 -0.17 2.57 2.07 -1.70 -2.43 116.25 118.84 3kfk h VAL 99 Ca 0.26 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3kfk h VAL 99 Cb 0.15 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3kfk h VAL 99 CO -0.03 0.18 0.06 0.00 0.02 0.00 0.00 177.57 177.80 3kfk h ALA 100 N 1.12 1.80 -0.14 1.67 0.00 -1.56 -1.01 119.26 121.15 3kfk h ALA 100 Ca 0.18 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 3kfk h ALA 100 Cb 0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3kfk h ALA 100 CO -0.03 0.17 -0.69 0.78 0.00 0.00 0.00 179.25 179.48 3kfk h GLY 101 N 0.35 0.62 1.98 0.00 0.00 -1.10 -3.03 103.07 101.89 3kfk h GLY 101 Ca 0.06 -0.83 -0.16 0.00 0.00 0.00 0.00 47.33 46.40 3kfk h GLY 101 CO -0.01 0.74 -0.74 -2.09 0.00 0.00 0.00 176.54 174.44 3kfk h GLU 102 N 0.40 0.02 0.00 4.80 4.57 -0.96 -2.44 114.58 120.98 3kfk h GLU 102 Ca -0.02 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 3kfk h GLU 102 Cb 1.27 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.86 3kfk h GLU 102 CO 0.13 0.75 -0.16 -0.07 -1.18 0.00 0.00 179.01 178.48 3kfk h LEU 103 N 0.01 0.00 0.01 1.64 3.38 -1.21 -1.14 115.31 118.00 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 1.31 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.02 3kfk h LEU 103 CO 0.10 0.16 -1.37 -0.07 0.09 0.00 0.00 178.44 177.35 3kfk h LEU 104 N 0.00 0.04 -0.22 1.67 3.38 -1.39 -3.06 115.31 115.73 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 0.57 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3kfk h LEU 104 CO 0.02 1.04 -0.53 -0.09 0.09 0.00 0.00 178.44 178.98 3kfk h ARG 105 N 0.01 0.74 0.00 1.13 2.43 -1.13 -2.62 114.38 114.93 3kfk h ARG 105 Ca -0.16 -0.51 0.00 0.00 -0.81 0.00 0.00 59.98 58.51 3kfk h ARG 105 Cb 1.90 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.53 3kfk h ARG 105 CO 0.11 1.13 0.00 1.63 -1.51 0.00 0.00 179.97 181.33 3kfk n LYS 106 N -4.11 0.23 0.01 0.20 4.76 -0.46 -3.28 118.16 115.52 3kfk n LYS 106 Ca -0.06 0.31 -0.20 0.00 -2.87 0.00 0.00 58.31 55.49 3kfk n LYS 106 Cb 0.61 -1.84 -0.14 0.00 -1.84 0.00 0.00 35.03 31.82 3kfk n LYS 106 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kfk h ALA 107 N 2.41 0.07 0.00 7.82 0.00 -1.44 -3.33 119.26 124.79 3kfk h ALA 107 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.01 3kfk h ALA 107 Cb 0.57 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3kfk h ALA 107 CO 0.00 0.58 0.00 1.05 0.00 0.00 0.00 179.25 180.88 3kfk h GLU 108 N -0.43 0.00 -0.01 0.00 4.11 -1.52 -0.98 114.58 115.74 3kfk h GLU 108 Ca -0.22 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.09 3kfk h GLU 108 Cb 1.62 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.86 3kfk h GLU 108 CO 0.07 0.00 -0.55 0.93 0.07 0.00 0.00 179.01 179.54 3kfk h GLU 109 N 0.00 0.03 0.00 1.06 5.08 -1.69 -2.62 114.58 116.44 3kfk h GLU 109 Ca 0.00 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.12 3kfk h GLU 109 Cb 0.50 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 3kfk h GLU 109 CO 0.00 0.57 -1.23 -0.07 -1.00 0.00 0.00 179.01 177.27 3kfk h LEU 110 N 0.02 0.00 -0.67 1.33 3.38 -1.38 -3.34 115.31 114.66 3kfk h LEU 110 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 3kfk h LEU 110 Cb 0.97 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 3kfk h LEU 110 CO 0.07 0.90 -0.60 -0.07 0.09 0.00 0.00 178.44 178.83 3kfk h LEU 111 N 0.00 0.25 -0.92 1.67 3.38 -1.16 -2.50 115.31 116.03 3kfk h LEU 111 Ca -0.12 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3kfk h LEU 111 Cb 1.79 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.47 3kfk h LEU 111 CO 0.10 0.79 0.00 0.44 0.09 0.00 0.00 178.44 179.86 3kfk h ASP 112 N 0.16 0.00 -0.48 -0.43 5.19 -1.61 -2.83 116.42 116.42 3kfk h ASP 112 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3kfk h ASP 112 Cb 1.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.61 3kfk h ASP 112 CO 0.09 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.21 3kfk n GLN 113 N -3.04 2.17 -1.92 3.56 6.02 -1.11 -4.94 117.38 118.12 3kfk n GLN 113 Ca 0.02 -1.76 -0.16 0.00 -0.01 0.00 0.00 57.00 55.08 3kfk n GLN 113 Cb 0.38 -1.40 -0.04 0.00 1.02 0.00 0.00 30.24 30.20 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 0.91 -4.89 -4.66 1.08 3.02 -1.07 -4.99 115.26 104.67 3kfk n ASN 114 Ca 0.16 0.18 -0.43 0.00 -0.03 0.00 0.00 54.58 54.47 3kfk n ASN 114 Cb 0.43 -3.92 -0.03 0.00 -0.61 0.00 0.00 39.78 35.65 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 -2.71 4.73 0.34 2.41 1.01 -0.96 -5.01 120.40 120.21 3kfk s VAL 115 Ca 0.00 1.89 -0.29 0.00 0.00 0.00 0.00 61.98 63.58 3kfk s VAL 115 Cb 0.00 -4.25 -0.11 0.00 0.00 0.00 0.00 36.38 32.02 3kfk s VAL 115 CO 0.00 -0.14 1.39 -2.28 0.00 0.00 0.00 175.10 174.07 3kfk s HIS 116 N 3.05 2.87 0.48 5.22 2.46 -1.26 -4.40 115.29 123.71 3kfk s HIS 116 Ca 0.41 1.27 0.24 0.00 0.47 0.00 0.00 55.06 57.45 3kfk s HIS 116 Cb -0.15 -3.83 1.27 0.00 -0.13 0.00 0.00 32.58 29.74 3kfk s HIS 116 CO 0.07 -2.40 1.88 -1.35 -2.47 0.00 0.00 174.74 170.47 3kfk h PRO 117 N 3.45 0.20 0.00 2.88 0.11 -1.95 -1.02 132.00 135.67 3kfk h PRO 117 Ca -0.49 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 3kfk h PRO 117 Cb 1.23 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3kfk h PRO 117 CO 0.67 0.13 -0.32 1.79 -0.21 0.00 0.00 178.00 180.06 3kfk h THR 118 N 0.20 0.66 0.03 -1.15 1.35 -1.91 0.85 112.91 112.95 3kfk h THR 118 Ca 0.43 -1.51 -0.21 0.00 -0.55 0.00 0.00 66.41 64.57 3kfk h THR 118 Cb 1.37 2.00 -0.02 0.00 -1.73 0.00 0.00 68.15 69.77 3kfk h THR 118 CO -0.09 0.31 -0.98 0.40 -0.25 0.00 0.00 175.52 174.90 3kfk h ILE 119 N 0.00 1.60 -0.16 6.82 1.08 -1.58 -2.53 117.51 122.75 3kfk h ILE 119 Ca -0.00 -3.06 -0.05 0.00 -0.39 0.00 0.00 64.86 61.36 3kfk h ILE 119 Cb 0.98 2.72 -0.00 0.00 -3.07 0.00 0.00 36.82 37.44 3kfk h ILE 119 CO 0.04 0.88 -0.10 0.58 -0.69 0.00 0.00 178.15 178.86 3kfk h VAL 120 N 0.04 1.32 0.00 1.67 2.07 -1.02 -2.81 116.25 117.52 3kfk h VAL 120 Ca -0.04 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 3kfk h VAL 120 Cb 1.69 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 33.23 3kfk h VAL 120 CO 0.14 0.35 -0.02 1.62 0.02 0.00 0.00 177.57 179.68 3kfk h VAL 121 N 0.00 0.05 -0.09 2.57 3.04 -0.92 -0.84 116.25 120.07 3kfk h VAL 121 Ca 0.03 -0.52 -0.21 0.00 -1.01 0.00 0.00 66.70 64.99 3kfk h VAL 121 Cb 0.60 1.49 0.00 0.00 -2.01 0.00 0.00 31.29 31.37 3kfk h VAL 121 CO 0.03 0.02 -0.81 0.50 -1.01 0.00 0.00 177.57 176.30 3kfk h LYS 122 N 0.00 0.58 0.10 4.17 3.64 -1.35 -2.99 116.57 120.72 3kfk h LYS 122 Ca -0.00 -0.51 -0.30 0.00 -1.27 0.00 0.00 60.65 58.57 3kfk h LYS 122 Cb 0.48 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 3kfk h LYS 122 CO 0.00 1.13 -1.54 0.78 -2.27 0.00 0.00 179.45 177.55 3kfk h GLY 123 N 0.92 0.25 1.30 5.01 0.00 -1.23 -3.17 103.07 106.15 3kfk h GLY 123 Ca -0.06 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 46.58 3kfk h GLY 123 CO 0.15 0.56 0.08 -0.97 0.00 0.00 0.00 176.54 176.36 3kfk h TYR 124 N 0.06 0.90 -0.10 5.60 0.99 -1.26 -0.79 116.97 122.37 3kfk h TYR 124 Ca -0.24 -0.11 -0.22 0.00 2.00 0.00 0.00 58.73 60.16 3kfk h TYR 124 Cb 2.00 -0.26 0.01 0.00 1.00 0.00 0.00 36.73 39.49 3kfk h TYR 124 CO 0.06 0.79 -0.79 0.37 -0.00 0.00 0.00 178.16 178.59 3kfk h GLN 125 N 0.82 0.71 -0.11 4.88 4.15 -1.67 -2.67 115.11 121.21 3kfk h GLN 125 Ca 0.17 -0.63 -0.09 0.00 0.77 0.00 0.00 58.65 58.87 3kfk h GLN 125 Cb 0.38 0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 3kfk h GLN 125 CO 0.01 1.23 -0.35 0.00 -1.93 0.00 0.00 178.83 177.79 3kfk h ALA 126 N 0.48 1.20 -0.01 3.38 0.00 -1.50 -1.00 119.26 121.82 3kfk h ALA 126 Ca -0.07 -0.37 -0.26 0.00 0.00 0.00 0.00 54.91 54.21 3kfk h ALA 126 Cb 1.43 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 19.15 3kfk h ALA 126 CO 0.16 0.54 -1.02 0.00 0.00 0.00 0.00 179.25 178.93 3kfk h ALA 127 N 1.44 0.17 0.00 0.00 0.00 -1.21 -2.77 119.26 116.90 3kfk h ALA 127 Ca 0.02 -0.69 -0.07 0.00 0.00 0.00 0.00 54.91 54.17 3kfk h ALA 127 Cb 0.72 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3kfk h ALA 127 CO 0.05 0.71 -0.33 0.00 0.00 0.00 0.00 179.25 179.68 3kfk h ALA 128 N 0.46 1.08 -0.00 0.00 0.00 -1.37 0.14 119.26 119.57 3kfk h ALA 128 Ca -0.12 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 3kfk h ALA 128 Cb 1.66 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 3kfk h ALA 128 CO 0.20 0.41 -0.67 0.37 0.00 0.00 0.00 179.25 179.56 3kfk h GLN 129 N 0.00 0.02 0.01 0.00 4.15 -1.18 -3.06 115.11 115.06 3kfk h GLN 129 Ca -0.00 -0.01 -0.28 0.00 0.77 0.00 0.00 58.65 59.12 3kfk h GLN 129 Cb 0.78 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.43 3kfk h GLN 129 CO 0.04 0.68 -1.57 -0.22 -1.93 0.00 0.00 178.83 175.83 3kfk h LYS 130 N 0.01 0.03 -0.15 1.69 1.63 -1.18 -3.34 116.57 115.27 3kfk h LYS 130 Ca -0.01 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.70 3kfk h LYS 130 Cb 1.18 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.82 3kfk h LYS 130 CO 0.09 0.67 -0.09 0.00 -3.45 0.00 0.00 179.45 176.67 3kfk h ALA 131 N 0.92 1.58 -0.02 5.00 0.00 -0.75 -1.62 119.26 124.37 3kfk h ALA 131 Ca -0.24 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.32 3kfk h ALA 131 Cb 1.97 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 3kfk h ALA 131 CO 0.09 0.31 -0.79 1.96 0.00 0.00 0.00 179.25 180.82 3kfk h GLN 132 N 0.22 0.21 -0.00 0.00 1.08 -1.67 -2.50 115.11 112.45 3kfk h GLN 132 Ca 0.05 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 3kfk h GLN 132 Cb 0.30 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 3kfk h GLN 132 CO 0.02 0.89 -0.45 -0.85 -0.95 0.00 0.00 178.83 177.49 3kfk n GLU 133 N -3.73 0.04 -0.01 1.46 0.28 -1.06 -3.62 120.64 114.00 3kfk n GLU 133 Ca -0.03 -0.02 -0.04 0.00 -0.16 0.00 0.00 57.16 56.91 3kfk n GLU 133 Cb 0.74 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.99 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 -1.46 0.62 0.18 -1.84 4.77 -0.63 -4.15 117.00 114.49 3kfk n LEU 134 Ca 0.06 0.28 0.04 0.00 -0.03 0.00 0.00 56.01 56.37 3kfk n LEU 134 Cb 0.34 0.18 0.34 0.00 -2.33 0.00 0.00 43.42 41.95 3kfk n LEU 134 CO 0.34 0.27 0.67 -0.07 -1.33 0.00 0.00 177.39 177.28 3kfk h LEU 135 N 0.00 0.00 -0.85 2.23 3.38 -1.53 -3.12 115.31 115.42 3kfk h LEU 135 Ca -0.27 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.59 3kfk h LEU 135 Cb 1.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 3kfk h LEU 135 CO 0.05 0.40 -0.44 0.11 0.09 0.00 0.00 178.44 178.65 3kfk h LYS 136 N 0.00 0.30 0.02 1.13 1.57 -1.72 -2.41 116.57 115.46 3kfk h LYS 136 Ca -0.00 -0.15 -0.21 0.00 -1.87 0.00 0.00 60.65 58.42 3kfk h LYS 136 Cb 0.85 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 3kfk h LYS 136 CO 0.05 0.69 -0.94 1.79 -0.57 0.00 0.00 179.45 180.47 3kfk h THR 137 N 0.25 1.54 -0.00 -0.16 1.35 -1.71 -3.28 112.91 110.90 3kfk h THR 137 Ca 0.02 -2.84 0.00 0.00 -0.55 0.00 0.00 66.41 63.04 3kfk h THR 137 Cb 0.88 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.90 3kfk h THR 137 CO 0.07 0.82 -0.42 2.30 -0.25 0.00 0.00 175.52 178.04 3kfk n ILE 138 N -3.58 0.00 -2.59 6.82 -5.35 -1.19 -4.91 119.36 108.56 3kfk n ILE 138 Ca -0.03 -0.04 -0.40 0.00 -0.27 0.00 0.00 62.75 62.00 3kfk n ILE 138 Cb 0.86 0.30 -0.05 0.00 -1.74 0.00 0.00 39.64 39.00 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 -2.84 3.37 0.05 -1.28 0.00 -0.91 -4.91 121.76 115.24 3kfk s ALA 139 Ca 0.15 0.77 -0.15 0.00 0.00 0.00 0.00 51.96 52.73 3kfk s ALA 139 Cb 0.18 -3.29 -0.06 0.00 0.00 0.00 0.00 23.12 19.95 3kfk s ALA 139 CO 0.64 -0.03 0.47 0.00 0.00 0.00 0.00 175.76 176.84 3kfk s GLU 141 N -1.32 4.21 -0.31 0.00 0.41 -1.26 -0.86 118.70 119.57 3kfk s GLU 141 Ca 0.28 0.48 -0.00 0.00 -0.41 0.00 0.00 54.97 55.33 3kfk s GLU 141 Cb -0.17 -3.56 0.10 0.00 -1.78 0.00 0.00 34.13 28.72 3kfk s GLU 141 CO 0.16 -0.15 0.09 0.08 -0.49 0.00 0.00 175.26 174.95 3kfk s VAL 142 N 1.63 1.01 1.26 2.63 1.01 -1.26 -4.99 120.40 121.69 3kfk s VAL 142 Ca 0.26 -1.46 -0.16 0.00 0.00 0.00 0.00 61.98 60.62 3kfk s VAL 142 Cb -0.16 -1.75 0.31 0.00 0.00 0.00 0.00 36.38 34.79 3kfk s VAL 142 CO 0.10 -0.64 0.93 0.61 0.00 0.00 0.00 175.10 176.09 3kfk n GLY 143 N 4.79 -2.56 0.21 4.51 0.00 -1.26 -4.74 105.19 106.15 3kfk n GLY 143 Ca -0.02 -1.30 0.06 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.94 1.42 -0.14 4.61 0.00 -1.88 -1.44 119.26 118.90 3kfk h ALA 144 Ca -0.58 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.03 3kfk h ALA 144 Cb 1.34 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 3kfk h ALA 144 CO 0.44 0.33 -0.23 1.04 0.00 0.00 0.00 179.25 180.83 3kfk n GLN 145 N -4.02 1.74 -2.60 0.00 6.02 -1.26 -4.67 117.38 112.59 3kfk n GLN 145 Ca -0.02 -3.10 -0.42 0.00 -0.01 0.00 0.00 57.00 53.45 3kfk n GLN 145 Cb 0.33 -1.68 -0.01 0.00 1.02 0.00 0.00 30.24 29.90 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 -2.83 6.70 0.47 1.08 3.68 -0.54 -4.85 116.67 120.37 3kfk s ASP 146 Ca 0.39 -2.03 0.17 0.00 2.13 0.00 0.00 52.55 53.22 3kfk s ASP 146 Cb 0.36 -2.56 1.11 0.00 -1.45 0.00 0.00 42.92 40.38 3kfk s ASP 146 CO -0.02 -1.30 2.02 0.11 0.13 0.00 0.00 175.17 176.12 3kfk h LYS 147 N 8.56 0.00 -0.12 4.34 1.57 -1.91 -1.32 116.57 127.69 3kfk h LYS 147 Ca 0.33 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.99 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 1.43 0.16 -0.44 1.05 -0.57 0.00 0.00 179.45 181.07 3kfk h GLU 148 N 0.00 0.29 0.15 3.15 4.11 -2.00 -1.52 114.58 118.76 3kfk h GLU 148 Ca -0.00 -0.15 -0.32 0.00 0.07 0.00 0.00 59.36 58.97 3kfk h GLU 148 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3kfk h GLU 148 CO 0.02 0.68 -1.54 0.82 0.07 0.00 0.00 179.01 179.06 3kfk h ILE 149 N 0.24 1.17 -0.19 -1.06 2.04 -1.85 -3.22 117.51 114.64 3kfk h ILE 149 Ca 0.02 -2.76 -0.01 0.00 1.00 0.00 0.00 64.86 63.11 3kfk h ILE 149 Cb 0.88 2.82 -0.01 0.00 -0.74 0.00 0.00 36.82 39.77 3kfk h ILE 149 CO 0.07 0.83 0.05 -0.07 0.00 0.00 0.00 178.15 179.03 3kfk h LEU 150 N 0.09 0.23 -0.55 1.44 3.38 -1.20 -0.22 115.31 118.48 3kfk h LEU 150 Ca -0.25 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.57 3kfk h LEU 150 Cb 2.05 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.73 3kfk h LEU 150 CO 0.19 0.24 -0.21 0.74 0.09 0.00 0.00 178.44 179.48 3kfk h THR 151 N 0.26 1.27 -0.51 0.22 2.02 -1.37 -1.82 112.91 112.98 3kfk h THR 151 Ca 0.06 -1.37 -0.12 0.00 0.77 0.00 0.00 66.41 65.76 3kfk h THR 151 Cb 0.10 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 3kfk h THR 151 CO -0.00 0.47 -0.14 0.11 0.37 0.00 0.00 175.52 176.32 3kfk h LYS 152 N 0.81 0.97 -0.56 6.66 1.57 -1.30 0.11 116.57 124.84 3kfk h LYS 152 Ca 0.11 -0.37 -0.07 0.00 -1.87 0.00 0.00 60.65 58.45 3kfk h LYS 152 Cb 0.78 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 3kfk h LYS 152 CO 0.06 1.04 0.09 0.82 -0.57 0.00 0.00 179.45 180.90 3kfk h ILE 153 N 0.86 1.26 -0.43 1.86 2.04 -1.04 0.21 117.51 122.27 3kfk h ILE 153 Ca 0.13 -0.97 -0.11 0.00 1.00 0.00 0.00 64.86 64.90 3kfk h ILE 153 Cb 0.70 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3kfk h ILE 153 CO 0.05 0.36 -0.17 0.00 0.00 0.00 0.00 178.15 178.38 3kfk h ALA 154 N 1.00 0.89 -0.53 1.87 0.00 -1.21 -2.57 119.26 118.71 3kfk h ALA 154 Ca 0.17 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 3kfk h ALA 154 Cb 0.42 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3kfk h ALA 154 CO 0.01 0.63 0.01 1.98 0.00 0.00 0.00 179.25 181.88 3kfk h MET 155 N 0.73 0.89 0.00 0.00 -1.53 -0.49 -2.26 114.93 112.27 3kfk h MET 155 Ca 0.11 -0.25 -0.08 0.00 -3.44 0.00 0.00 59.70 56.04 3kfk h MET 155 Cb 0.69 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.63 3kfk h MET 155 CO 0.05 0.88 -0.39 1.15 0.14 0.00 0.00 176.91 178.74 3kfk h THR 156 N 0.83 1.14 0.01 -0.77 2.02 -0.85 -1.86 112.91 113.42 3kfk h THR 156 Ca 0.16 -1.41 -0.27 0.00 0.77 0.00 0.00 66.41 65.66 3kfk h THR 156 Cb 0.48 1.79 0.02 0.00 -1.74 0.00 0.00 68.15 68.70 3kfk h THR 156 CO 0.02 0.38 -1.04 -1.28 0.37 0.00 0.00 175.52 173.97 3kfk h SER 157 N 0.00 0.91 -0.47 4.18 0.87 -1.12 -3.27 113.55 114.66 3kfk h SER 157 Ca -0.00 -0.74 -0.13 0.00 -1.23 0.00 0.00 61.79 59.68 3kfk h SER 157 Cb 0.76 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 3kfk h SER 157 CO 0.05 1.53 -0.22 0.40 -0.53 0.00 0.00 176.83 178.07 3kfk h ILE 158 N 0.38 1.27 -3.89 2.23 2.04 -1.36 -3.42 117.51 114.75 3kfk h ILE 158 Ca -0.13 -1.38 -0.52 0.00 1.00 0.00 0.00 64.86 63.83 3kfk h ILE 158 Cb 1.70 1.13 0.06 0.00 -0.74 0.00 0.00 36.82 38.97 3kfk h ILE 158 CO 0.21 0.48 0.60 -0.89 0.00 0.00 0.00 178.15 178.54 3kfk s THR 159 N -4.67 2.84 0.00 -0.27 2.01 -0.71 -2.90 115.64 111.94 3kfk s THR 159 Ca -0.11 0.81 0.00 0.00 0.31 0.00 0.00 61.69 62.70 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 0.17 0.00 0.61 -0.69 0.00 0.00 174.62 175.58 3kfk n GLY 160 N 0.80 2.70 0.10 4.40 0.00 -1.26 -4.78 105.19 107.15 3kfk n GLY 160 Ca 0.01 -0.81 0.11 0.00 0.00 0.00 0.00 46.02 45.33 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 0.61 0.00 1.61 5.02 -1.14 -4.56 118.16 119.70 3kfk n LYS 161 Ca 0.00 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3kfk n LYS 161 Cb 0.00 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 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 1.20 2.97 0.15 0.72 0.00 -1.22 -4.95 105.19 104.05 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 0.73 0.00 4.61 0.00 -1.92 -2.72 119.26 119.95 3kfk h ALA 163 Ca 0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 3kfk h ALA 163 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3kfk h ALA 163 CO 0.00 0.81 -0.34 1.05 0.00 0.00 0.00 179.25 180.76 3kfk h GLU 164 N 0.14 0.00 -0.03 0.00 9.09 -1.97 -2.64 114.58 119.17 3kfk h GLU 164 Ca -0.02 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.24 3kfk h GLU 164 Cb 1.26 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.35 3kfk h GLU 164 CO 0.11 0.34 -0.68 0.87 0.05 0.00 0.00 179.01 179.71 3kfk h LYS 165 N 0.00 0.14 -6.15 1.06 1.57 -1.88 -3.40 116.57 107.90 3kfk h LYS 165 Ca -0.00 -0.11 -0.59 0.00 -1.87 0.00 0.00 60.65 58.08 3kfk h LYS 165 Cb 0.88 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 33.12 3kfk h LYS 165 CO 0.04 0.76 1.36 0.00 -0.57 0.00 0.00 179.45 181.05 3kfk s ALA 166 N -3.56 2.74 0.04 3.86 0.00 -1.00 -4.98 121.76 118.87 3kfk s ALA 166 Ca -0.03 -2.03 0.09 0.00 0.00 0.00 0.00 51.96 49.99 3kfk s ALA 166 Cb 0.12 -4.44 -0.03 0.00 0.00 0.00 0.00 23.12 18.77 3kfk s ALA 166 CO 0.79 -3.51 -0.25 0.21 0.00 0.00 0.00 175.76 173.00 3kfk s LYS 167 N 5.13 1.86 0.31 0.00 2.20 -1.26 -4.95 119.74 123.03 3kfk s LYS 167 Ca 0.43 -1.08 0.07 0.00 -0.36 0.00 0.00 55.97 55.03 3kfk s LYS 167 Cb -0.02 -2.02 0.80 0.00 -1.51 0.00 0.00 37.83 35.08 3kfk s LYS 167 CO -0.03 0.52 1.76 0.93 -0.36 0.00 0.00 175.35 178.16 3kfk h GLU 168 N 4.78 0.67 -0.10 4.03 4.39 -1.99 -2.33 114.58 124.03 3kfk h GLU 168 Ca -0.47 -0.04 -0.15 0.00 0.34 0.00 0.00 59.36 59.04 3kfk h GLU 168 Cb 1.14 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.63 3kfk h GLU 168 CO 0.44 0.44 -0.60 0.87 -1.16 0.00 0.00 179.01 179.01 3kfk h LYS 169 N 0.69 0.34 -0.53 2.33 1.57 -1.99 -3.27 116.57 115.71 3kfk h LYS 169 Ca 0.61 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 59.08 3kfk h LYS 169 Cb 1.03 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 3kfk h LYS 169 CO -0.42 0.84 0.04 1.25 -0.57 0.00 0.00 179.45 180.59 3kfk h LEU 170 N 0.26 0.88 -1.12 2.94 5.85 -1.80 -3.00 115.31 119.32 3kfk h LEU 170 Ca -0.00 -0.28 -0.09 0.00 0.84 0.00 0.00 57.88 58.34 3kfk h LEU 170 Cb 1.12 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 3kfk h LEU 170 CO 0.10 0.95 -0.42 0.00 -0.34 0.00 0.00 178.44 178.72 3kfk h ALA 171 N 0.97 1.23 0.00 1.25 0.00 -1.63 -2.81 119.26 118.26 3kfk h ALA 171 Ca 0.16 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 3kfk h ALA 171 Cb 0.47 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3kfk h ALA 171 CO 0.02 0.53 -0.54 0.93 0.00 0.00 0.00 179.25 180.19 3kfk h GLU 172 N 0.00 0.00 -0.12 0.00 5.08 -1.58 -3.16 114.58 114.80 3kfk h GLU 172 Ca -0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.17 3kfk h GLU 172 Cb 0.78 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.04 3kfk h GLU 172 CO 0.06 0.54 -0.64 0.82 -1.00 0.00 0.00 179.01 178.79 3kfk h ILE 173 N 0.00 1.32 -0.52 3.13 2.04 -1.37 -3.30 117.51 118.81 3kfk h ILE 173 Ca -0.01 -1.90 -0.05 0.00 1.00 0.00 0.00 64.86 63.90 3kfk h ILE 173 Cb 0.98 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 39.14 3kfk h ILE 173 CO 0.07 0.59 0.11 0.40 0.00 0.00 0.00 178.15 179.32 3kfk h ILE 174 N 0.32 1.25 -0.79 -0.67 2.04 -1.53 -3.05 117.51 115.07 3kfk h ILE 174 Ca -0.05 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 3kfk h ILE 174 Cb 1.28 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 3kfk h ILE 174 CO 0.13 0.32 0.46 0.58 0.00 0.00 0.00 178.15 179.64 3kfk h VAL 175 N 0.72 1.22 -0.22 1.67 2.07 -1.67 -2.50 116.25 117.55 3kfk h VAL 175 Ca 0.16 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 3kfk h VAL 175 Cb 0.36 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3kfk h VAL 175 CO 0.00 0.24 -0.10 -0.08 0.02 0.00 0.00 177.57 177.65 3kfk h GLU 176 N 1.09 0.35 -0.04 1.57 4.81 -1.61 -2.38 114.58 118.36 3kfk h GLU 176 Ca 0.28 -0.08 -0.19 0.00 -0.13 0.00 0.00 59.36 59.24 3kfk h GLU 176 Cb -0.02 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.33 3kfk h GLU 176 CO -0.05 0.46 -0.73 0.00 -0.73 0.00 0.00 179.01 177.96 3kfk h ALA 177 N 1.57 0.14 -0.24 2.92 0.00 -1.43 -3.19 119.26 119.04 3kfk h ALA 177 Ca 0.07 -0.60 -0.18 0.00 0.00 0.00 0.00 54.91 54.20 3kfk h ALA 177 Cb 0.39 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3kfk h ALA 177 CO 0.02 0.49 -0.57 0.28 0.00 0.00 0.00 179.25 179.47 3kfk h VAL 178 N 0.16 1.29 0.00 0.00 2.07 -1.42 -2.93 116.25 115.42 3kfk h VAL 178 Ca -0.08 -1.78 -0.01 0.00 0.82 0.00 0.00 66.70 65.65 3kfk h VAL 178 Cb 1.40 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.88 3kfk h VAL 178 CO 0.14 0.57 -0.06 0.28 0.02 0.00 0.00 177.57 178.53 3kfk h SER 179 N 0.57 0.00 0.52 0.57 0.02 -1.55 -3.07 113.55 110.61 3kfk h SER 179 Ca 0.01 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 3kfk h SER 179 Cb 1.16 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 3kfk h SER 179 CO 0.12 0.06 -1.49 0.00 -1.14 0.00 0.00 176.83 174.38 3kfk h ALA 180 N 1.94 0.33 -0.15 3.77 0.00 -1.51 -3.35 119.26 120.29 3kfk h ALA 180 Ca -0.00 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 53.79 3kfk h ALA 180 Cb 0.47 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3kfk h ALA 180 CO 0.01 1.19 0.00 1.33 0.00 0.00 0.00 179.25 181.78 3kfk n VAL 181 N -3.40 0.20 -2.42 0.00 0.24 -1.12 -4.54 118.33 107.29 3kfk n VAL 181 Ca -0.15 -0.24 -0.43 0.00 -2.04 0.00 0.00 64.34 61.49 3kfk n VAL 181 Cb 1.03 0.11 -0.02 0.00 -1.47 0.00 0.00 33.84 33.49 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 -1.80 4.16 -0.61 3.34 1.01 -1.23 -4.45 120.40 120.81 3kfk s VAL 182 Ca 0.21 1.32 -0.27 0.00 0.00 0.00 0.00 61.98 63.24 3kfk s VAL 182 Cb 0.11 -4.13 0.03 0.00 0.00 0.00 0.00 36.38 32.39 3kfk s VAL 182 CO 0.16 -0.43 1.14 1.51 0.00 0.00 0.00 175.10 177.48 3kfk s ASP 183 N 2.71 6.34 0.03 3.32 -4.77 -1.17 -4.99 116.67 118.14 3kfk s ASP 183 Ca 0.56 -0.18 -0.30 0.00 -3.30 0.00 0.00 52.55 49.33 3kfk s ASP 183 Cb -0.17 -2.52 -0.06 0.00 -1.09 0.00 0.00 42.92 39.08 3kfk s ASP 183 CO 0.22 -1.51 1.37 -1.81 0.70 0.00 0.00 175.17 174.14 3kfk s ASP 184 N 3.15 6.88 -0.07 2.11 1.01 -1.26 -3.22 116.67 125.27 3kfk s ASP 184 Ca 0.37 2.13 0.03 0.00 0.71 0.00 0.00 52.55 55.79 3kfk s ASP 184 Cb -0.09 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.28 3kfk s ASP 184 CO 0.21 -0.67 -0.16 -1.61 0.21 0.00 0.00 175.17 173.14 3kfk s GLU 185 N 1.99 2.07 -0.21 8.23 2.02 -1.26 -5.05 118.70 126.49 3kfk s GLU 185 Ca 0.63 -0.58 0.08 0.00 0.02 0.00 0.00 54.97 55.12 3kfk s GLU 185 Cb -0.32 -1.67 0.26 0.00 0.10 0.00 0.00 34.13 32.50 3kfk s GLU 185 CO 0.27 0.11 1.18 0.41 0.02 0.00 0.00 175.26 177.25 3kfk n GLY 186 N 3.59 1.03 3.86 -1.39 0.00 -1.20 -5.17 105.19 105.92 3kfk n GLY 186 Ca -0.21 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 0.08 2.53 -0.22 1.61 -0.14 -1.23 -4.68 119.74 117.69 3kfk s LYS 187 Ca 0.06 0.49 -0.02 0.00 -1.36 0.00 0.00 55.97 55.14 3kfk s LYS 187 Cb 0.28 -1.98 0.01 0.00 -1.68 0.00 0.00 37.83 34.46 3kfk s LYS 187 CO -0.08 -1.27 -0.10 0.08 -0.76 0.00 0.00 175.35 173.22 3kfk s VAL 188 N -3.31 2.82 -0.30 3.17 1.01 -1.26 -3.04 120.40 119.48 3kfk s VAL 188 Ca 0.59 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 61.63 3kfk s VAL 188 Cb -0.12 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 3kfk s VAL 188 CO 0.52 0.39 0.42 -0.62 0.00 0.00 0.00 175.10 175.81 3kfk s ASP 189 N 1.38 6.27 0.51 3.32 3.68 -1.26 -4.96 116.67 125.61 3kfk s ASP 189 Ca 0.04 0.12 0.30 0.00 2.13 0.00 0.00 52.55 55.14 3kfk s ASP 189 Cb -0.15 -2.23 1.06 0.00 -1.45 0.00 0.00 42.92 40.16 3kfk s ASP 189 CO -0.07 -0.30 1.87 0.11 0.13 0.00 0.00 175.17 176.92 3kfk h LYS 190 N 8.29 0.00 0.00 4.34 6.56 -1.97 -3.05 116.57 130.74 3kfk h LYS 190 Ca -0.30 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.29 3kfk h LYS 190 Cb 1.15 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.81 3kfk h LYS 190 CO 0.69 0.02 0.00 -0.44 -2.06 0.00 0.00 179.45 177.66 3kfk h ASP 191 N 0.00 0.00 0.97 0.86 3.32 -2.01 -3.18 116.42 116.38 3kfk h ASP 191 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3kfk h ASP 191 Cb 0.66 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.21 3kfk h ASP 191 CO 0.00 0.00 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.35 3kfk h LEU 192 N 0.00 0.00 -8.77 1.55 3.38 -1.87 -3.41 115.31 106.19 3kfk h LEU 192 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 3kfk h LEU 192 Cb 0.67 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.28 3kfk h LEU 192 CO 0.00 0.10 0.08 -0.63 0.09 0.00 0.00 178.44 178.08 3kfk s ILE 193 N -3.68 4.93 0.06 1.22 1.01 -1.20 -2.27 121.20 121.27 3kfk s ILE 193 Ca 0.01 0.49 -0.22 0.00 0.00 0.00 0.00 60.65 60.92 3kfk s ILE 193 Cb 0.10 -4.05 -0.06 0.00 0.01 0.00 0.00 42.46 38.46 3kfk s ILE 193 CO 0.59 -0.29 0.67 -0.75 0.00 0.00 0.00 174.94 175.15 3kfk s LYS 194 N 2.61 4.39 -0.20 2.79 2.47 0.14 -4.95 119.74 126.99 3kfk s LYS 194 Ca 0.23 0.90 -0.04 0.00 -1.56 0.00 0.00 55.97 55.50 3kfk s LYS 194 Cb -0.15 -3.31 -0.02 0.00 -1.46 0.00 0.00 37.83 32.89 3kfk s LYS 194 CO 0.14 0.44 -0.03 0.42 0.16 0.00 0.00 175.35 176.48 3kfk s ILE 195 N -0.52 3.59 -0.11 5.43 1.01 -1.26 0.34 121.20 129.68 3kfk s ILE 195 Ca 0.33 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.57 3kfk s ILE 195 Cb -0.20 -2.62 -0.01 0.00 0.01 0.00 0.00 42.46 39.64 3kfk s ILE 195 CO 0.21 0.43 -0.18 -0.70 0.00 0.00 0.00 174.94 174.71 3kfk s GLU 196 N 1.16 3.18 -0.44 2.79 2.56 -0.56 -4.97 118.70 122.42 3kfk s GLU 196 Ca 0.02 -0.76 -0.07 0.00 0.00 0.00 0.00 54.97 54.15 3kfk s GLU 196 Cb -0.14 -2.48 0.11 0.00 2.00 0.00 0.00 34.13 33.61 3kfk s GLU 196 CO -0.00 0.23 0.28 0.15 -0.56 0.00 0.00 175.26 175.37 3kfk s LYS 197 N 0.26 2.38 0.11 4.30 1.02 -1.26 -1.40 119.74 125.15 3kfk s LYS 197 Ca -0.12 -1.71 0.05 0.00 0.02 0.00 0.00 55.97 54.21 3kfk s LYS 197 Cb -0.16 -3.79 -0.04 0.00 -0.52 0.00 0.00 37.83 33.32 3kfk s LYS 197 CO 0.06 -1.10 -0.13 0.15 -0.92 0.00 0.00 175.35 173.41 3kfk s LYS 198 N 1.32 0.94 0.00 1.68 -0.14 -1.10 -5.06 119.74 117.38 3kfk s LYS 198 Ca 0.06 -1.17 0.00 0.00 -1.36 0.00 0.00 55.97 53.49 3kfk s LYS 198 Cb -0.25 -0.78 0.00 0.00 -1.68 0.00 0.00 37.83 35.12 3kfk s LYS 198 CO -0.01 0.15 0.00 -1.13 -0.76 0.00 0.00 175.35 173.60 3kfk n SER 199 N 0.65 0.00 0.00 2.83 3.41 -1.26 -3.26 113.62 115.99 3kfk n SER 199 Ca -0.16 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 3kfk n SER 199 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 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 2.30 3.55 5.00 0.00 -1.15 -4.52 105.19 115.37 3kfk n GLY 200 Ca 0.00 -1.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.04 3kfk n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfk s ALA 201 N -1.76 1.28 0.00 4.61 0.00 -1.26 -3.69 121.76 120.94 3kfk s ALA 201 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.68 3kfk s ALA 201 Cb 0.00 -4.43 0.00 0.00 0.00 0.00 0.00 23.12 18.69 3kfk s ALA 201 CO 0.00 -5.00 0.00 0.45 0.00 0.00 0.00 175.76 171.21 3kfk n SER 202 N 16.94 0.00 0.00 0.00 2.88 -1.26 -4.74 113.62 127.43 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 0.00 2.46 5.41 -1.02 -4.03 119.36 122.18 3kfk n ILE 203 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.80 3kfk n ILE 203 Cb 0.00 0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 38.81 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 0.82 0.29 -0.22 4.38 9.92 -1.26 -4.24 116.55 126.24 3kfk n ASP 204 Ca 0.00 0.12 0.03 0.00 -0.53 0.00 0.00 54.79 54.41 3kfk n ASP 204 Cb 0.00 1.24 0.11 0.00 -0.64 0.00 0.00 41.12 41.82 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 -2.53 0.64 -4.66 -2.24 9.92 -1.26 -4.85 116.55 111.58 3kfk n ASP 205 Ca -0.10 -1.94 -0.42 0.00 -0.53 0.00 0.00 54.79 51.80 3kfk n ASP 205 Cb 0.72 -0.08 -0.03 0.00 -0.64 0.00 0.00 41.12 41.10 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 -1.85 3.56 0.10 -3.53 -4.23 -1.26 -4.94 115.64 103.49 3kfk s THR 206 Ca 0.11 0.67 0.09 0.00 -1.18 0.00 0.00 61.69 61.37 3kfk s THR 206 Cb 0.05 -3.45 -0.04 0.00 1.34 0.00 0.00 72.50 70.41 3kfk s THR 206 CO 0.08 -0.08 -0.19 -1.83 -0.54 0.00 0.00 174.62 172.06 3kfk s GLU 207 N 4.14 1.83 -0.43 3.99 -1.05 -1.25 -5.06 118.70 120.87 3kfk s GLU 207 Ca 0.74 -1.14 -0.27 0.00 -0.15 0.00 0.00 54.97 54.16 3kfk s GLU 207 Cb -0.33 -2.12 0.02 0.00 -0.44 0.00 0.00 34.13 31.27 3kfk s GLU 207 CO 0.30 0.49 1.00 -1.17 0.95 0.00 0.00 175.26 176.83 3kfk s LEU 208 N -1.93 3.89 -0.40 1.83 2.96 -1.26 -3.46 118.68 120.31 3kfk s LEU 208 Ca 0.17 0.41 -0.11 0.00 -0.22 0.00 0.00 54.13 54.37 3kfk s LEU 208 Cb -0.10 -3.34 0.05 0.00 0.50 0.00 0.00 46.19 43.29 3kfk s LEU 208 CO 0.08 -1.05 0.25 -0.63 -1.32 0.00 0.00 176.35 173.69 3kfk s ILE 209 N 3.88 4.61 0.00 6.68 1.01 -0.86 -4.92 121.20 131.61 3kfk s ILE 209 Ca 0.41 -1.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.01 3kfk s ILE 209 Cb -0.10 -3.67 -0.10 0.00 0.01 0.00 0.00 42.46 38.60 3kfk s ILE 209 CO 0.25 -0.36 1.87 0.29 0.00 0.00 0.00 174.94 176.99 3kfk n LYS 210 N 5.01 0.93 -3.63 2.79 5.02 -1.26 -0.92 118.16 126.09 3kfk n LYS 210 Ca -0.11 -0.38 -0.06 0.00 -2.02 0.00 0.00 58.31 55.73 3kfk n LYS 210 Cb 0.45 -1.61 -0.02 0.00 -0.02 0.00 0.00 35.03 33.83 3kfk n LYS 210 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3kfk s GLY 211 N 2.32 -0.35 -0.02 0.72 0.00 -1.26 -3.35 107.32 105.38 3kfk s GLY 211 Ca 0.26 0.49 0.07 0.00 0.00 0.00 0.00 44.72 45.53 3kfk s GLY 211 CO 0.00 0.14 -0.22 0.14 0.00 0.00 0.00 173.10 173.16 3kfk s VAL 212 N -3.28 2.38 -0.43 1.40 1.01 0.02 -4.29 120.40 117.21 3kfk s VAL 212 Ca 0.08 -1.04 -0.06 0.00 0.00 0.00 0.00 61.98 60.97 3kfk s VAL 212 Cb -0.01 -1.88 0.11 0.00 0.00 0.00 0.00 36.38 34.59 3kfk s VAL 212 CO -0.03 0.55 0.26 -0.22 0.00 0.00 0.00 175.10 175.65 3kfk s LEU 213 N -0.76 5.34 -0.12 3.92 2.96 -1.26 -1.93 118.68 126.83 3kfk s LEU 213 Ca 0.11 -1.88 -0.24 0.00 -0.22 0.00 0.00 54.13 51.90 3kfk s LEU 213 Cb -0.10 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 3kfk s LEU 213 CO 0.00 -0.59 0.77 -0.69 -1.32 0.00 0.00 176.35 174.52 3kfk s VAL 214 N 1.27 4.96 -1.48 1.68 1.01 -1.06 -4.96 120.40 121.82 3kfk s VAL 214 Ca 0.06 1.54 -0.13 0.00 0.00 0.00 0.00 61.98 63.45 3kfk s VAL 214 Cb -0.24 -4.09 0.03 0.00 0.00 0.00 0.00 36.38 32.07 3kfk s VAL 214 CO -0.02 0.13 2.35 -0.67 0.00 0.00 0.00 175.10 176.90 3kfk n ASP 215 N 4.56 5.04 -3.16 3.32 2.03 -1.26 -2.09 116.55 124.98 3kfk n ASP 215 Ca 0.02 -2.81 -0.10 0.00 0.52 0.00 0.00 54.79 52.41 3kfk n ASP 215 Cb 0.50 -1.62 -0.00 0.00 -0.72 0.00 0.00 41.12 39.28 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 2.69 2.07 0.00 -0.67 2.20 -1.26 -5.01 119.74 119.75 3kfk s LYS 216 Ca 0.51 -1.48 0.00 0.00 -0.36 0.00 0.00 55.97 54.64 3kfk s LYS 216 Cb 0.15 0.57 0.00 0.00 -1.51 0.00 0.00 37.83 37.03 3kfk s LYS 216 CO -0.08 -0.93 0.00 0.39 -0.36 0.00 0.00 175.35 174.37 3kfk n GLU 217 N -0.53 3.26 -3.35 4.03 1.02 -1.26 -3.27 120.64 120.54 3kfk n GLU 217 Ca -0.05 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.72 3kfk n GLU 217 Cb 0.60 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.96 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 0.47 4.08 0.42 3.49 1.70 -1.26 -4.62 118.95 123.22 3kfk s ARG 218 Ca 0.00 0.60 0.17 0.00 -0.47 0.00 0.00 55.73 56.03 3kfk s ARG 218 Cb 0.00 -3.14 0.92 0.00 -0.57 0.00 0.00 34.95 32.16 3kfk s ARG 218 CO 0.00 0.60 1.89 -0.24 -1.08 0.00 0.00 175.30 176.47 3kfk h VAL 219 N 3.34 1.02 -3.91 4.99 3.04 -1.42 -3.43 116.25 119.88 3kfk h VAL 219 Ca -0.50 -1.07 -0.34 0.00 -1.01 0.00 0.00 66.70 63.79 3kfk h VAL 219 Cb 1.21 1.61 -0.29 0.00 -2.01 0.00 0.00 31.29 31.81 3kfk h VAL 219 CO 0.64 0.29 -0.76 -0.55 -1.01 0.00 0.00 177.57 176.17 3kfk s SER 220 N -6.67 0.69 0.00 3.17 0.15 -1.26 -5.02 113.70 104.76 3kfk s SER 220 Ca -0.02 -0.11 0.19 0.00 0.70 0.00 0.00 55.95 56.71 3kfk s SER 220 Cb 0.14 -0.09 0.93 0.00 -1.71 0.00 0.00 66.02 65.29 3kfk s SER 220 CO 0.68 0.07 1.59 0.00 1.20 0.00 0.00 173.24 176.78 3kfk n ALA 221 N 2.97 1.98 0.26 5.45 0.00 -1.26 -2.60 120.51 127.32 3kfk n ALA 221 Ca -0.13 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.34 3kfk n ALA 221 Cb 0.58 -1.31 0.18 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 0.00 -7.08 0.00 4.15 -1.96 -3.47 115.11 106.75 3kfk h GLN 222 Ca 0.00 0.00 -0.45 0.00 0.77 0.00 0.00 58.65 58.97 3kfk h GLN 222 Cb 0.21 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 3kfk h GLN 222 CO 0.00 0.00 0.34 -1.64 -1.93 0.00 0.00 178.83 175.60 3kfk s MET 223 N -3.22 4.13 0.99 1.69 -1.94 -1.07 -5.00 119.30 114.89 3kfk s MET 223 Ca 0.06 1.04 -0.12 0.00 -1.71 0.00 0.00 55.69 54.97 3kfk s MET 223 Cb 0.07 -2.18 0.13 0.00 2.01 0.00 0.00 34.83 34.86 3kfk s MET 223 CO 0.68 -0.09 0.78 -2.30 -0.01 0.00 0.00 175.02 174.08 3kfk n PRO 224 N -0.91 -0.84 -0.03 2.03 -0.02 -1.26 -5.01 135.00 128.97 3kfk n PRO 224 Ca 0.07 -0.20 -0.01 0.00 -2.02 0.00 0.00 63.50 61.34 3kfk n PRO 224 Cb 0.54 -2.12 -0.06 0.00 -0.02 0.00 0.00 33.50 31.84 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 -3.36 1.73 -3.72 -0.52 4.81 -1.26 -4.92 118.16 110.92 3kfk n LYS 225 Ca 0.08 -0.03 -0.13 0.00 -0.87 0.00 0.00 58.31 57.36 3kfk n LYS 225 Cb 0.54 -1.21 -0.13 0.00 0.02 0.00 0.00 35.03 34.25 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 -2.35 0.17 0.04 1.64 2.20 -1.26 -2.94 119.74 117.23 3kfk s LYS 226 Ca -0.04 0.53 0.04 0.00 -0.36 0.00 0.00 55.97 56.15 3kfk s LYS 226 Cb 0.04 -0.13 -0.02 0.00 -1.51 0.00 0.00 37.83 36.21 3kfk s LYS 226 CO 0.34 -0.18 -0.11 0.08 -0.36 0.00 0.00 175.35 175.11 3kfk s VAL 227 N 1.43 0.87 -0.10 4.02 1.01 -1.19 -5.07 120.40 121.37 3kfk s VAL 227 Ca -0.07 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 3kfk s VAL 227 Cb -0.11 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 3kfk s VAL 227 CO -0.08 -0.10 0.04 -0.89 0.00 0.00 0.00 175.10 174.07 3kfk s THR 228 N -0.92 4.65 -1.25 3.92 2.01 -1.26 -3.80 115.64 118.99 3kfk s THR 228 Ca -0.02 -0.12 -0.03 0.00 0.31 0.00 0.00 61.69 61.84 3kfk s THR 228 Cb -0.08 -2.98 -0.01 0.00 0.01 0.00 0.00 72.50 69.44 3kfk s THR 228 CO 0.01 0.60 0.77 0.47 -0.69 0.00 0.00 174.62 175.78 3kfk n ASP 229 N 2.17 -2.34 -4.74 3.53 8.00 -1.25 -4.94 116.55 116.98 3kfk n ASP 229 Ca -0.19 -0.81 -0.40 0.00 0.71 0.00 0.00 54.79 54.10 3kfk n ASP 229 Cb 0.54 -4.22 -0.05 0.00 -0.02 0.00 0.00 41.12 37.36 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 -3.58 3.32 -0.26 2.24 0.00 -1.25 -4.99 121.76 117.23 3kfk s ALA 230 Ca 0.11 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 52.58 3kfk s ALA 230 Cb -0.03 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 3kfk s ALA 230 CO 0.80 0.10 0.21 0.15 0.00 0.00 0.00 175.76 177.02 3kfk s LYS 231 N -0.81 4.02 -0.25 0.00 3.01 -1.26 -3.57 119.74 120.88 3kfk s LYS 231 Ca 0.43 -0.23 -0.06 0.00 -1.01 0.00 0.00 55.97 55.11 3kfk s LYS 231 Cb -0.26 -3.60 -0.01 0.00 -1.01 0.00 0.00 37.83 32.95 3kfk s LYS 231 CO 0.32 -0.08 0.03 0.42 0.51 0.00 0.00 175.35 176.56 3kfk s ILE 232 N 1.46 3.86 -0.37 2.17 1.01 -0.92 -2.16 121.20 126.25 3kfk s ILE 232 Ca 0.09 -0.46 -0.18 0.00 0.00 0.00 0.00 60.65 60.10 3kfk s ILE 232 Cb -0.15 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.47 3kfk s ILE 232 CO 0.08 0.28 0.48 0.00 0.00 0.00 0.00 174.94 175.78 3kfk s ALA 233 N 1.53 3.46 -0.68 9.38 0.00 -0.25 -1.95 121.76 133.24 3kfk s ALA 233 Ca 0.05 -1.15 -0.21 0.00 0.00 0.00 0.00 51.96 50.65 3kfk s ALA 233 Cb -0.16 -3.01 0.09 0.00 0.00 0.00 0.00 23.12 20.05 3kfk s ALA 233 CO 0.01 -1.31 0.90 -0.51 0.00 0.00 0.00 175.76 174.86 3kfk s LEU 234 N 2.32 4.85 -0.10 0.00 1.02 -1.26 -1.45 118.68 124.06 3kfk s LEU 234 Ca 0.17 -1.32 -0.17 0.00 0.02 0.00 0.00 54.13 52.82 3kfk s LEU 234 Cb -0.16 -2.38 -0.05 0.00 0.02 0.00 0.00 46.19 43.63 3kfk s LEU 234 CO 0.14 -1.27 0.46 -0.76 0.02 0.00 0.00 176.35 174.93 3kfk s LEU 235 N 3.35 4.31 -0.09 1.79 1.43 0.80 -2.53 118.68 127.74 3kfk s LEU 235 Ca 0.20 0.83 0.20 0.00 -1.03 0.00 0.00 54.13 54.33 3kfk s LEU 235 Cb -0.17 -2.66 -0.28 0.00 0.03 0.00 0.00 46.19 43.11 3kfk s LEU 235 CO 0.06 0.06 0.34 -3.20 0.23 0.00 0.00 176.35 173.84 3kfk n ASN 236 N 3.33 0.08 -4.85 2.29 5.15 0.71 -0.73 115.26 121.24 3kfk n ASN 236 Ca -0.08 0.03 -0.31 0.00 -0.60 0.00 0.00 54.58 53.62 3kfk n ASN 236 Cb 0.52 1.42 0.03 0.00 -0.53 0.00 0.00 39.78 41.21 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 -3.11 3.37 -1.04 0.00 0.00 -1.26 -4.46 121.76 115.26 3kfk s ALA 238 Ca 0.56 0.18 -0.05 0.00 0.00 0.00 0.00 51.96 52.65 3kfk s ALA 238 Cb -0.12 -2.94 0.09 0.00 0.00 0.00 0.00 23.12 20.15 3kfk s ALA 238 CO 0.54 0.01 2.54 -0.89 0.00 0.00 0.00 175.76 177.95 3kfk n ILE 239 N 3.23 4.61 -2.76 0.00 5.41 -1.22 -4.92 119.36 123.70 3kfk n ILE 239 Ca -0.03 -3.84 -0.15 0.00 1.00 0.00 0.00 62.75 59.73 3kfk n ILE 239 Cb 0.51 -1.94 0.07 0.00 -0.71 0.00 0.00 39.64 37.57 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 1.51 0.39 -1.52 0.38 1.02 -1.26 -3.51 120.64 117.65 3kfk n GLU 240 Ca 0.58 -2.13 0.00 0.00 -0.02 0.00 0.00 57.16 55.60 3kfk n GLU 240 Cb 0.35 -0.33 0.00 0.00 -0.02 0.00 0.00 31.44 31.44 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 -2.14 0.00 0.00 3.49 -0.00 -1.26 -4.79 120.64 115.93 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 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.87 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 -5.08 114.28 107.50 3kfk n THR 264 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 3kfk n THR 264 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 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 3.03 -2.78 6.98 0.00 -1.26 -5.00 120.51 118.48 3kfk n ALA 265 Ca 0.00 -0.60 -0.15 0.00 0.00 0.00 0.00 53.44 52.69 3kfk n ALA 265 Cb 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 19.45 19.20 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 1.97 -3.78 0.00 2.88 -1.26 -5.02 113.62 108.44 3kfk n SER 266 Ca -0.15 -3.00 -0.23 0.00 -1.33 0.00 0.00 58.87 54.16 3kfk n SER 266 Cb 0.67 -0.54 -0.01 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 -0.05 -0.72 -0.29 -1.46 0.28 -1.26 -4.81 120.64 112.33 3kfk n GLU 267 Ca 0.19 -0.11 0.05 0.00 -0.16 0.00 0.00 57.16 57.13 3kfk n GLU 267 Cb 0.73 -1.37 0.18 0.00 1.43 0.00 0.00 31.44 32.42 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 -3.19 2.30 -0.00 3.44 2.81 -1.26 -3.80 117.12 117.42 3kfk n MET 268 Ca -0.11 -1.47 0.03 0.00 -1.81 0.00 0.00 57.70 54.34 3kfk n MET 268 Cb 0.35 -1.52 -0.04 0.00 -0.71 0.00 0.00 33.22 31.30 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 0.51 0.27 0.28 4.03 4.32 -1.26 -4.52 117.00 120.62 3kfk n LEU 269 Ca 0.13 -0.46 0.14 0.00 -0.02 0.00 0.00 56.01 55.80 3kfk n LEU 269 Cb 0.48 0.00 0.84 0.00 -1.62 0.00 0.00 43.42 43.12 3kfk n LEU 269 CO 0.12 0.07 1.12 0.11 -1.22 0.00 0.00 177.39 177.58 3kfk h LYS 270 N 0.00 0.00 -0.00 3.23 1.57 -1.96 0.35 116.57 119.76 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 0.16 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.48 3kfk h LYS 270 CO 0.00 0.00 -0.48 -0.44 -0.57 0.00 0.00 179.45 177.96 3kfk h ASP 271 N 0.00 0.43 -0.69 0.86 3.45 -1.85 -2.88 116.42 115.74 3kfk h ASP 271 Ca 0.01 -0.76 -0.05 0.00 0.43 0.00 0.00 57.03 56.66 3kfk h ASP 271 Cb 0.05 -0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 38.66 3kfk h ASP 271 CO -0.00 1.14 0.23 0.24 -1.57 0.00 0.00 179.24 179.27 3kfk h MET 272 N -0.23 1.07 -0.43 3.56 2.86 -1.38 -0.12 114.93 120.26 3kfk h MET 272 Ca -0.06 -0.22 -0.15 0.00 -2.06 0.00 0.00 59.70 57.21 3kfk h MET 272 Cb 1.21 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.70 3kfk h MET 272 CO 0.10 0.92 -0.31 0.28 1.06 0.00 0.00 176.91 178.95 3kfk h VAL 273 N 1.01 1.27 0.00 -2.22 2.07 -0.52 -2.77 116.25 115.09 3kfk h VAL 273 Ca 0.22 -1.49 -0.10 0.00 0.82 0.00 0.00 66.70 66.16 3kfk h VAL 273 Cb 0.28 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3kfk h VAL 273 CO -0.01 0.50 -0.46 0.00 0.02 0.00 0.00 177.57 177.62 3kfk h ALA 274 N 0.82 1.20 0.00 1.67 0.00 -1.30 -1.58 119.26 120.07 3kfk h ALA 274 Ca 0.08 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 3kfk h ALA 274 Cb 0.91 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3kfk h ALA 274 CO 0.08 0.58 -0.46 0.93 0.00 0.00 0.00 179.25 180.38 3kfk h GLU 275 N 0.00 0.00 -0.18 0.00 5.08 -0.92 0.23 114.58 118.78 3kfk h GLU 275 Ca -0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.15 3kfk h GLU 275 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3kfk h GLU 275 CO 0.06 0.46 -0.70 0.82 -1.00 0.00 0.00 179.01 178.65 3kfk h ILE 276 N 0.00 1.29 0.00 3.13 2.04 -1.18 -3.15 117.51 119.64 3kfk h ILE 276 Ca -0.00 -1.92 -0.05 0.00 1.00 0.00 0.00 64.86 63.89 3kfk h ILE 276 Cb 0.82 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 3kfk h ILE 276 CO 0.06 0.61 -0.23 0.50 0.00 0.00 0.00 178.15 179.09 3kfk h LYS 277 N 0.54 0.00 -0.33 2.37 3.64 -0.94 -3.04 116.57 118.80 3kfk h LYS 277 Ca -0.03 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 3kfk h LYS 277 Cb 1.31 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.11 3kfk h LYS 277 CO 0.14 0.23 -0.12 0.00 -2.27 0.00 0.00 179.45 177.43 3kfk h ALA 278 N 1.77 1.17 -0.01 5.00 0.00 -0.52 -3.09 119.26 123.58 3kfk h ALA 278 Ca -0.00 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 3kfk h ALA 278 Cb 0.77 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.42 3kfk h ALA 278 CO 0.03 0.53 -0.59 0.66 0.00 0.00 0.00 179.25 179.87 3kfk h SER 279 N 0.53 0.53 0.00 0.00 4.64 -1.57 -3.48 113.55 114.20 3kfk h SER 279 Ca 0.09 -0.75 0.00 0.00 -0.47 0.00 0.00 61.79 60.66 3kfk h SER 279 Cb 0.52 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3kfk h SER 279 CO 0.03 1.22 0.00 0.61 -0.87 0.00 0.00 176.83 177.82 3kfk n GLY 280 N 1.05 0.94 3.35 -0.77 0.00 -1.16 -4.40 105.19 104.21 3kfk n GLY 280 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.80 3.16 -0.50 4.61 0.00 -1.22 -4.70 121.76 121.30 3kfk s ALA 281 Ca 0.00 -1.58 0.24 0.00 0.00 0.00 0.00 51.96 50.62 3kfk s ALA 281 Cb 0.00 -2.34 0.41 0.00 0.00 0.00 0.00 23.12 21.19 3kfk s ALA 281 CO 0.00 -1.14 1.54 -2.95 0.00 0.00 0.00 175.76 173.20 3kfk h ASN 282 N 8.31 0.00 -3.99 0.00 7.08 -1.83 -3.45 115.58 121.69 3kfk h ASN 282 Ca -0.28 -0.02 -0.69 0.00 -3.08 0.00 0.00 56.30 52.23 3kfk h ASN 282 Cb 1.11 0.00 -0.29 0.00 -2.08 0.00 0.00 38.32 37.06 3kfk h ASN 282 CO 0.62 0.01 -0.85 -0.69 -2.08 0.00 0.00 177.43 174.45 3kfk s VAL 283 N -3.20 2.38 -0.15 6.14 1.01 -0.92 -1.25 120.40 124.41 3kfk s VAL 283 Ca 0.07 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 3kfk s VAL 283 Cb 0.08 -1.89 0.05 0.00 0.00 0.00 0.00 36.38 34.62 3kfk s VAL 283 CO 0.68 0.57 0.01 -0.22 0.00 0.00 0.00 175.10 176.13 3kfk s LEU 284 N -0.26 1.13 -0.37 3.92 2.96 0.28 -1.09 118.68 125.25 3kfk s LEU 284 Ca -0.00 -0.59 -0.12 0.00 -0.22 0.00 0.00 54.13 53.20 3kfk s LEU 284 Cb -0.13 -0.63 0.01 0.00 0.50 0.00 0.00 46.19 45.94 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 1.83 3.23 -0.17 5.38 0.40 -0.53 -2.31 117.98 125.81 3kfk s PHE 285 Ca 0.01 -0.67 -0.06 0.00 -0.60 0.00 0.00 56.93 55.61 3kfk s PHE 285 Cb -0.15 -2.47 -0.04 0.00 0.51 0.00 0.00 43.02 40.87 3kfk s PHE 285 CO -0.07 -0.55 0.03 0.00 0.70 0.00 0.00 175.22 175.32 3kfk h GLN 287 N 6.63 0.35 0.00 0.00 4.15 -1.17 -2.96 115.11 122.11 3kfk h GLN 287 Ca -0.35 -0.58 0.00 0.00 0.77 0.00 0.00 58.65 58.49 3kfk h GLN 287 Cb 1.18 0.21 0.00 0.00 0.21 0.00 0.00 27.48 29.08 3kfk h GLN 287 CO 0.67 1.27 0.00 1.63 -1.93 0.00 0.00 178.83 180.47 3kfk n LYS 288 N -3.59 2.32 -3.58 1.69 4.76 -1.26 -3.79 118.16 114.71 3kfk n LYS 288 Ca -0.10 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 54.96 3kfk n LYS 288 Cb 1.03 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 34.16 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 -0.86 2.36 -0.21 0.72 0.00 -1.26 -1.45 107.32 106.62 3kfk s GLY 289 Ca 0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 44.72 44.27 3kfk s GLY 289 CO 0.00 0.12 0.14 -0.42 0.00 0.00 0.00 173.10 172.94 3kfk s ILE 290 N -0.69 5.39 0.58 0.90 1.01 -1.26 -3.39 121.20 123.75 3kfk s ILE 290 Ca 0.21 0.20 -0.16 0.00 0.00 0.00 0.00 60.65 60.90 3kfk s ILE 290 Cb -0.15 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 3kfk s ILE 290 CO 0.09 0.42 1.05 -0.62 0.00 0.00 0.00 174.94 175.88 3kfk s ASP 291 N 0.53 5.91 0.44 3.58 -1.08 -1.23 -4.92 116.67 119.89 3kfk s ASP 291 Ca 0.08 1.77 0.13 0.00 -0.52 0.00 0.00 52.55 54.01 3kfk s ASP 291 Cb -0.12 -2.53 0.97 0.00 -1.46 0.00 0.00 42.92 39.79 3kfk s ASP 291 CO -0.00 -1.08 2.00 -0.78 0.52 0.00 0.00 175.17 175.83 3kfk h ASP 292 N 0.47 0.10 -0.38 -0.34 -0.00 -1.98 -2.40 116.42 111.89 3kfk h ASP 292 Ca -0.47 -0.01 -0.11 0.00 -0.00 0.00 0.00 57.03 56.44 3kfk h ASP 292 Cb 1.21 -0.03 -0.01 0.00 -0.00 0.00 0.00 39.33 40.51 3kfk h ASP 292 CO 0.58 0.22 -0.19 -0.07 -0.00 0.00 0.00 179.24 179.78 3kfk h LEU 293 N 0.11 0.82 -1.59 2.28 3.38 -1.95 -3.03 115.31 115.33 3kfk h LEU 293 Ca 0.02 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 3kfk h LEU 293 Cb 0.25 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3kfk h LEU 293 CO 0.02 1.05 -0.20 0.00 0.09 0.00 0.00 178.44 179.40 3kfk h ALA 294 N 0.80 1.24 -0.60 1.53 0.00 -1.76 -2.95 119.26 117.52 3kfk h ALA 294 Ca 0.08 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3kfk h ALA 294 Cb 0.75 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3kfk h ALA 294 CO 0.06 0.25 0.16 1.96 0.00 0.00 0.00 179.25 181.67 3kfk h GLN 295 N 0.00 0.92 -0.17 0.00 4.20 -1.34 -1.42 115.11 117.30 3kfk h GLN 295 Ca -0.00 -0.19 -0.14 0.00 0.06 0.00 0.00 58.65 58.38 3kfk h GLN 295 Cb 0.50 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.15 3kfk h GLN 295 CO 0.03 0.82 -0.43 1.25 -0.67 0.00 0.00 178.83 179.82 3kfk h HIS 296 N 0.89 0.77 -0.28 2.96 2.76 -1.55 -2.85 115.15 117.83 3kfk h HIS 296 Ca 0.19 -0.29 -0.16 0.00 -2.20 0.00 0.00 60.37 57.91 3kfk h HIS 296 Cb 0.30 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 3kfk h HIS 296 CO 0.02 1.06 -0.46 1.88 -1.30 0.00 0.00 177.93 179.13 3kfk h TYR 297 N 0.26 0.90 -0.11 5.26 0.05 -1.49 -0.44 116.97 121.39 3kfk h TYR 297 Ca -0.00 -0.29 -0.09 0.00 0.05 0.00 0.00 58.73 58.39 3kfk h TYR 297 Cb 1.04 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.59 3kfk h TYR 297 CO 0.10 1.06 -0.35 -0.07 -1.05 0.00 0.00 178.16 177.84 3kfk h LEU 298 N 0.59 0.24 -0.54 3.88 3.38 -1.36 -2.23 115.31 119.26 3kfk h LEU 298 Ca 0.03 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 3kfk h LEU 298 Cb 1.02 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 3kfk h LEU 298 CO 0.10 0.58 -0.63 0.00 0.09 0.00 0.00 178.44 178.58 3kfk h ALA 299 N 1.44 0.80 -0.19 1.53 0.00 -1.29 0.15 119.26 121.70 3kfk h ALA 299 Ca 0.02 -0.57 -0.15 0.00 0.00 0.00 0.00 54.91 54.21 3kfk h ALA 299 Cb 0.72 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3kfk h ALA 299 CO 0.05 0.79 -0.51 -0.22 0.00 0.00 0.00 179.25 179.36 3kfk h LYS 300 N 0.00 0.52 -0.02 0.00 3.64 -0.74 -3.14 116.57 116.83 3kfk h LYS 300 Ca -0.01 -0.31 -0.22 0.00 -1.27 0.00 0.00 60.65 58.84 3kfk h LYS 300 Cb 1.23 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 3kfk h LYS 300 CO 0.08 0.91 -0.91 0.93 -2.27 0.00 0.00 179.45 178.19 3kfk h GLU 301 N 0.41 0.48 0.00 1.90 4.39 -1.40 -3.48 114.58 116.88 3kfk h GLU 301 Ca 0.02 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.23 3kfk h GLU 301 Cb 1.04 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 3kfk h GLU 301 CO 0.09 1.13 0.00 0.41 -1.16 0.00 0.00 179.01 179.48 3kfk n GLY 302 N 0.89 1.32 3.70 -3.84 0.00 -0.85 -5.10 105.19 101.29 3kfk n GLY 302 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 5.03 -0.02 -0.61 1.01 0.46 -4.70 121.20 120.37 3kfk s ILE 303 Ca 0.00 1.36 -0.22 0.00 0.00 0.00 0.00 60.65 61.78 3kfk s ILE 303 Cb 0.00 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 3kfk s ILE 303 CO 0.00 0.19 0.66 -0.69 0.00 0.00 0.00 174.94 175.11 3kfk s VAL 304 N 1.25 4.94 0.10 2.92 1.01 -0.38 -4.15 120.40 126.09 3kfk s VAL 304 Ca 0.34 1.38 0.04 0.00 0.00 0.00 0.00 61.98 63.75 3kfk s VAL 304 Cb -0.17 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 3kfk s VAL 304 CO 0.15 0.34 -0.12 0.00 0.00 0.00 0.00 175.10 175.47 3kfk s ALA 305 N 0.26 1.18 -0.03 5.51 0.00 -1.26 -0.56 121.76 126.86 3kfk s ALA 305 Ca 0.35 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 51.16 3kfk s ALA 305 Cb -0.18 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 22.94 3kfk s ALA 305 CO 0.18 0.03 -0.04 0.00 0.00 0.00 0.00 175.76 175.93 3kfk s ALA 306 N -2.12 0.54 -0.15 0.00 0.00 -0.98 -0.93 121.76 118.13 3kfk s ALA 306 Ca 0.04 -0.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.88 3kfk s ALA 306 Cb -0.05 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 3kfk s ALA 306 CO 0.01 0.02 0.05 -0.98 0.00 0.00 0.00 175.76 174.87 3kfk s ARG 307 N 0.61 3.66 -0.88 0.00 1.70 -1.26 -2.31 118.95 120.47 3kfk s ARG 307 Ca -0.07 -0.33 -0.03 0.00 -0.47 0.00 0.00 55.73 54.82 3kfk s ARG 307 Cb -0.11 -3.10 -0.04 0.00 -0.57 0.00 0.00 34.95 31.14 3kfk s ARG 307 CO -0.00 0.45 0.80 0.54 -1.08 0.00 0.00 175.30 176.00 3kfk n ARG 308 N 2.98 -1.76 -3.25 3.89 1.74 -0.53 -5.00 116.66 114.72 3kfk n ARG 308 Ca -0.18 1.16 -0.39 0.00 -0.77 0.00 0.00 57.85 57.68 3kfk n ARG 308 Cb 0.53 -5.72 -0.06 0.00 -1.02 0.00 0.00 32.46 26.19 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 -3.20 4.93 0.38 1.55 1.01 -1.14 -5.03 120.40 118.92 3kfk s VAL 309 Ca 0.23 1.17 -0.25 0.00 0.00 0.00 0.00 61.98 63.13 3kfk s VAL 309 Cb -0.03 -3.89 -0.12 0.00 0.00 0.00 0.00 36.38 32.34 3kfk s VAL 309 CO 0.73 0.44 0.96 0.29 0.00 0.00 0.00 175.10 177.52 3kfk n LYS 310 N 2.63 1.28 0.21 2.72 4.76 -1.26 -4.66 118.16 123.84 3kfk n LYS 310 Ca -0.08 0.45 0.07 0.00 -2.87 0.00 0.00 58.31 55.88 3kfk n LYS 310 Cb 0.51 -1.93 0.57 0.00 -1.84 0.00 0.00 35.03 32.34 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 1.59 0.08 -0.47 1.97 3.64 -1.96 -1.37 116.57 120.05 3kfk h LYS 311 Ca -0.43 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 58.84 3kfk h LYS 311 Cb 1.34 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.13 3kfk h LYS 311 CO 0.57 0.10 -0.12 0.66 -2.27 0.00 0.00 179.45 178.39 3kfk h SER 312 N 0.08 0.85 0.99 4.20 4.64 -2.01 -2.93 113.55 119.38 3kfk h SER 312 Ca 0.02 -0.27 -0.14 0.00 -0.47 0.00 0.00 61.79 60.94 3kfk h SER 312 Cb 0.08 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 3kfk h SER 312 CO 0.00 0.99 -0.65 0.44 -0.87 0.00 0.00 176.83 176.74 3kfk h ASP 313 N 0.77 0.00 -0.11 4.97 3.32 -1.63 -3.01 116.42 120.72 3kfk h ASP 313 Ca 0.12 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.03 3kfk h ASP 313 Cb 0.63 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 3kfk h ASP 313 CO 0.04 0.65 -0.41 0.24 -1.72 0.00 0.00 179.24 178.04 3kfk h MET 314 N 0.00 0.64 0.00 3.56 2.86 -1.29 -1.76 114.93 118.95 3kfk h MET 314 Ca -0.01 -0.34 -0.07 0.00 -2.06 0.00 0.00 59.70 57.23 3kfk h MET 314 Cb 1.31 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.97 3kfk h MET 314 CO 0.08 0.94 -0.34 0.93 1.06 0.00 0.00 176.91 179.59 3kfk h GLU 315 N 0.53 0.00 -0.13 1.72 5.08 -1.53 -2.65 114.58 117.59 3kfk h GLU 315 Ca 0.04 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 3kfk h GLU 315 Cb 0.93 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.19 3kfk h GLU 315 CO 0.08 0.34 -0.50 0.87 -1.00 0.00 0.00 179.01 178.80 3kfk h LYS 316 N 0.00 0.57 -0.04 2.33 1.57 -1.37 -3.23 116.57 116.40 3kfk h LYS 316 Ca -0.00 -0.44 -0.09 0.00 -1.87 0.00 0.00 60.65 58.25 3kfk h LYS 316 Cb 0.87 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 3kfk h LYS 316 CO 0.04 1.06 -0.39 -0.07 -0.57 0.00 0.00 179.45 179.53 3kfk h LEU 317 N 0.21 0.09 -0.64 2.94 3.38 -1.23 -2.22 115.31 117.84 3kfk h LEU 317 Ca -0.02 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 3kfk h LEU 317 Cb 1.13 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3kfk h LEU 317 CO 0.11 0.48 -0.61 0.00 0.09 0.00 0.00 178.44 178.50 3kfk h ALA 318 N 1.53 0.83 0.00 1.53 0.00 -1.56 -3.08 119.26 118.52 3kfk h ALA 318 Ca 0.01 -0.55 -0.25 0.00 0.00 0.00 0.00 54.91 54.11 3kfk h ALA 318 Cb 0.73 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3kfk h ALA 318 CO 0.05 0.73 -1.73 1.63 0.00 0.00 0.00 179.25 179.94 3kfk n LYS 319 N -3.87 0.64 -0.05 0.00 5.02 -1.17 -0.34 118.16 118.40 3kfk n LYS 319 Ca -0.02 0.21 -0.11 0.00 -2.02 0.00 0.00 58.31 56.36 3kfk n LYS 319 Cb 0.62 -1.75 -0.10 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 1.17 -0.03 0.00 7.82 0.00 -1.50 -3.36 119.26 123.37 3kfk h ALA 320 Ca -0.28 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.20 3kfk h ALA 320 Cb 1.88 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 3kfk h ALA 320 CO 0.06 -0.06 -0.49 1.79 0.00 0.00 0.00 179.25 180.55 3kfk h THR 321 N -0.94 0.50 -0.90 0.00 1.35 -1.76 -3.48 112.91 107.68 3kfk h THR 321 Ca -0.00 -1.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.12 3kfk h THR 321 Cb 0.74 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 3kfk h THR 321 CO 0.00 0.28 0.00 0.61 -0.25 0.00 0.00 175.52 176.17 3kfk n GLY 322 N 1.20 0.51 3.79 5.82 0.00 -1.19 -0.71 105.19 114.61 3kfk n GLY 322 Ca 0.01 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.91 3.96 0.09 4.61 0.00 0.54 -3.79 121.76 125.27 3kfk s ALA 323 Ca 0.00 -1.46 0.10 0.00 0.00 0.00 0.00 51.96 50.60 3kfk s ALA 323 Cb 0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 3kfk s ALA 323 CO 0.00 -0.22 -0.25 -0.80 0.00 0.00 0.00 175.76 174.49 3kfk s ASN 324 N -4.01 3.06 -0.08 0.00 0.01 -0.58 -4.59 114.94 108.74 3kfk s ASN 324 Ca 0.31 -0.66 -0.27 0.00 -0.71 0.00 0.00 52.86 51.53 3kfk s ASN 324 Cb 0.02 -0.23 -0.02 0.00 0.41 0.00 0.00 41.25 41.42 3kfk s ASN 324 CO 0.18 0.19 0.87 -0.69 -1.51 0.00 0.00 177.10 176.13 3kfk s VAL 325 N -0.96 4.90 -0.08 1.60 1.01 -1.26 -4.30 120.40 121.31 3kfk s VAL 325 Ca 0.11 1.78 -0.01 0.00 0.00 0.00 0.00 61.98 63.86 3kfk s VAL 325 Cb -0.10 -4.19 0.03 0.00 0.00 0.00 0.00 36.38 32.11 3kfk s VAL 325 CO 0.04 0.12 -0.03 -0.63 0.00 0.00 0.00 175.10 174.60 3kfk s ILE 326 N 1.45 0.64 -0.49 2.22 -1.09 -1.05 -4.94 121.20 117.94 3kfk s ILE 326 Ca 0.44 -0.06 0.04 0.00 -2.23 0.00 0.00 60.65 58.84 3kfk s ILE 326 Cb -0.18 -0.73 0.17 0.00 -1.58 0.00 0.00 42.46 40.13 3kfk s ILE 326 CO 0.19 0.30 0.38 -0.89 -1.23 0.00 0.00 174.94 173.69 3kfk s THR 327 N 1.75 1.09 0.00 2.92 2.01 -1.26 0.25 115.64 122.39 3kfk s THR 327 Ca 0.03 -3.09 0.00 0.00 0.31 0.00 0.00 61.69 58.94 3kfk s THR 327 Cb -0.13 -1.74 0.00 0.00 0.01 0.00 0.00 72.50 70.65 3kfk s THR 327 CO -0.06 -1.16 0.00 -3.20 -0.69 0.00 0.00 174.62 169.52 3kfk n ASN 328 N 2.63 0.00 0.00 3.53 5.15 -1.26 -4.82 115.26 120.49 3kfk n ASN 328 Ca 0.26 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.24 3kfk n ASN 328 Cb 0.44 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.69 3kfk n ASN 328 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kfk n ILE 329 N 0.00 0.00 0.04 -1.44 3.06 -1.26 -3.69 119.36 116.08 3kfk n ILE 329 Ca 0.00 0.00 0.02 0.00 -2.50 0.00 0.00 62.75 60.27 3kfk n ILE 329 Cb 0.00 0.00 0.13 0.00 0.54 0.00 0.00 39.64 40.31 3kfk n ILE 329 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 3kfk n LYS 330 N -0.96 0.03 -0.11 9.51 4.76 -1.26 -2.76 118.16 127.37 3kfk n LYS 330 Ca 0.00 0.45 0.07 0.00 -2.87 0.00 0.00 58.31 55.96 3kfk n LYS 330 Cb 0.00 -1.73 0.12 0.00 -1.84 0.00 0.00 35.03 31.58 3kfk n LYS 330 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3kfk n ASP 331 N -1.60 2.52 -4.71 4.39 4.64 -1.24 -5.08 116.55 115.47 3kfk n ASP 331 Ca -0.00 -2.70 -0.42 0.00 -1.38 0.00 0.00 54.79 50.28 3kfk n ASP 331 Cb 0.13 -0.31 -0.03 0.00 -1.04 0.00 0.00 41.12 39.87 3kfk n ASP 331 CO 0.00 0.00 0.00 -0.11 -0.82 0.00 0.00 177.20 176.27 3kfk n LEU 332 N -0.91 4.02 -4.54 -2.67 7.94 -1.11 -4.99 117.00 114.74 3kfk n LEU 332 Ca 0.12 1.04 -0.25 0.00 -1.11 0.00 0.00 56.01 55.81 3kfk n LEU 332 Cb 0.55 -1.57 -0.09 0.00 0.53 0.00 0.00 43.42 42.84 3kfk n LEU 332 CO 0.03 0.18 -0.43 -0.55 -1.11 0.00 0.00 177.39 175.52 3kfk s SER 333 N 1.68 4.00 0.29 1.96 0.15 -1.26 -4.50 113.70 116.01 3kfk s SER 333 Ca 0.77 -0.78 0.21 0.00 0.70 0.00 0.00 55.95 56.86 3kfk s SER 333 Cb -0.50 -0.55 0.12 0.00 -1.71 0.00 0.00 66.02 63.38 3kfk s SER 333 CO 0.34 0.06 1.28 0.00 1.20 0.00 0.00 173.24 176.12 3kfk h ALA 334 N 2.50 0.72 -0.21 5.45 0.00 -1.92 -3.33 119.26 122.47 3kfk h ALA 334 Ca -0.44 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3kfk h ALA 334 Cb 1.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3kfk h ALA 334 CO 0.56 0.17 0.00 1.04 0.00 0.00 0.00 179.25 181.03 3kfk n GLN 335 N -2.92 1.79 0.00 0.00 3.00 -1.26 -3.30 117.38 114.69 3kfk n GLN 335 Ca 0.01 -1.20 0.08 0.00 -0.01 0.00 0.00 57.00 55.88 3kfk n GLN 335 Cb 0.60 -1.38 -0.02 0.00 0.00 0.00 0.00 30.24 29.43 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 0.43 1.44 -4.74 1.08 10.43 -1.25 -4.97 116.55 118.97 3kfk n ASP 336 Ca 0.16 -1.22 -0.40 0.00 2.57 0.00 0.00 54.79 55.89 3kfk n ASP 336 Cb 0.34 0.57 -0.05 0.00 1.84 0.00 0.00 41.12 43.82 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 -2.14 4.51 0.66 0.64 1.43 -1.21 -1.53 118.68 121.05 3kfk s LEU 337 Ca 0.12 1.67 -0.09 0.00 -1.03 0.00 0.00 54.13 54.79 3kfk s LEU 337 Cb 0.12 -3.42 0.01 0.00 0.03 0.00 0.00 46.19 42.94 3kfk s LEU 337 CO 0.44 0.03 1.01 -0.83 0.23 0.00 0.00 176.35 177.23 3kfk s GLY 338 N -0.34 1.62 -0.18 -3.19 0.00 -0.83 -4.67 107.32 99.74 3kfk s GLY 338 Ca 0.42 -0.49 0.01 0.00 0.00 0.00 0.00 44.72 44.65 3kfk s GLY 338 CO 0.27 -0.16 -0.12 -0.35 0.00 0.00 0.00 173.10 172.74 3kfk s ASP 339 N -4.34 3.11 0.30 1.64 2.15 0.11 -2.16 116.67 117.48 3kfk s ASP 339 Ca 0.56 -0.72 0.10 0.00 0.43 0.00 0.00 52.55 52.92 3kfk s ASP 339 Cb -0.11 -1.23 -0.05 0.00 -0.30 0.00 0.00 42.92 41.24 3kfk s ASP 339 CO 0.49 -0.10 -0.01 0.00 -0.17 0.00 0.00 175.17 175.38 3kfk s ALA 340 N 1.42 3.15 -0.17 3.66 0.00 -1.23 -4.63 121.76 123.96 3kfk s ALA 340 Ca 0.01 -1.79 -0.22 0.00 0.00 0.00 0.00 51.96 49.97 3kfk s ALA 340 Cb -0.15 -0.59 -0.19 0.00 0.00 0.00 0.00 23.12 22.19 3kfk s ALA 340 CO -0.09 0.19 0.37 0.78 0.00 0.00 0.00 175.76 177.00 3kfk h GLY 341 N 1.88 0.00 -7.07 0.00 0.00 0.11 -3.34 103.07 94.66 3kfk h GLY 341 Ca -0.43 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.53 3kfk h GLY 341 CO 0.62 0.00 -0.75 -2.27 0.00 0.00 0.00 176.54 174.15 3kfk s LEU 342 N -8.07 0.44 -0.23 3.11 0.20 0.29 -3.90 118.68 110.52 3kfk s LEU 342 Ca -0.22 0.03 -0.02 0.00 0.69 0.00 0.00 54.13 54.61 3kfk s LEU 342 Cb 0.02 -0.20 0.02 0.00 -0.43 0.00 0.00 46.19 45.60 3kfk s LEU 342 CO 0.56 -0.21 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.64 3kfk s VAL 343 N 1.89 2.88 -0.09 1.68 1.01 -1.25 -1.06 120.40 125.47 3kfk s VAL 343 Ca 0.02 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 3kfk s VAL 343 Cb -0.12 -2.40 0.04 0.00 0.00 0.00 0.00 36.38 33.89 3kfk s VAL 343 CO -0.03 0.29 0.21 -0.70 0.00 0.00 0.00 175.10 174.86 3kfk s GLU 344 N 1.35 0.18 -1.18 2.72 2.12 -0.81 -3.17 118.70 119.91 3kfk s GLU 344 Ca 0.02 0.43 -0.16 0.00 0.36 0.00 0.00 54.97 55.62 3kfk s GLU 344 Cb -0.16 -0.08 0.14 0.00 0.26 0.00 0.00 34.13 34.29 3kfk s GLU 344 CO -0.05 -0.13 1.46 -2.00 -0.54 0.00 0.00 175.26 173.99 3kfk s GLU 345 N 0.96 3.99 0.24 4.30 2.12 -1.15 0.01 118.70 129.17 3kfk s GLU 345 Ca -0.07 -2.30 -0.22 0.00 0.36 0.00 0.00 54.97 52.74 3kfk s GLU 345 Cb -0.08 -5.15 -0.09 0.00 0.26 0.00 0.00 34.13 29.07 3kfk s GLU 345 CO -0.06 -1.89 0.80 1.03 -0.54 0.00 0.00 175.26 174.61 3kfk s ARG 346 N 2.40 4.40 -1.01 4.30 0.52 -1.09 -4.84 118.95 123.65 3kfk s ARG 346 Ca 0.44 1.05 -0.04 0.00 -0.52 0.00 0.00 55.73 56.66 3kfk s ARG 346 Cb -0.02 -2.92 0.14 0.00 0.52 0.00 0.00 34.95 32.67 3kfk s ARG 346 CO -0.00 0.39 2.42 1.63 0.02 0.00 0.00 175.30 179.76 3kfk n LYS 347 N 0.81 3.96 -2.53 3.54 5.02 -1.26 -1.93 118.16 125.76 3kfk n LYS 347 Ca -0.02 -3.27 -0.41 0.00 -2.02 0.00 0.00 58.31 52.60 3kfk n LYS 347 Cb 0.50 -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 -2.02 4.04 -1.33 -0.18 1.10 -1.09 -3.18 121.20 118.54 3kfk s ILE 348 Ca 0.54 1.66 -0.04 0.00 -0.51 0.00 0.00 60.65 62.30 3kfk s ILE 348 Cb 0.26 -4.06 0.02 0.00 0.15 0.00 0.00 42.46 38.83 3kfk s ILE 348 CO -0.15 0.24 0.29 -0.24 -2.11 0.00 0.00 174.94 172.97 3kfk n SER 349 N 2.83 -4.60 0.00 4.50 2.88 -1.26 -2.58 113.62 115.39 3kfk n SER 349 Ca 0.04 -0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 3kfk n SER 349 Cb 0.47 -3.82 0.00 0.00 -0.75 0.00 0.00 64.21 60.11 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 -1.11 2.21 3.70 0.46 0.00 -1.19 -4.89 105.19 104.36 3kfk n GLY 350 Ca -0.11 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 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 7.00 -0.58 1.61 1.01 -1.06 -4.88 116.67 119.76 3kfk s ASP 351 Ca 0.00 2.03 -0.24 0.00 0.71 0.00 0.00 52.55 55.05 3kfk s ASP 351 Cb 0.00 -2.57 0.04 0.00 1.01 0.00 0.00 42.92 41.40 3kfk s ASP 351 CO 0.00 -0.56 0.99 -0.94 0.21 0.00 0.00 175.17 174.87 3kfk s SER 352 N 1.31 6.31 0.26 0.27 1.04 -1.26 -2.67 113.70 118.96 3kfk s SER 352 Ca 0.60 -0.42 0.11 0.00 0.48 0.00 0.00 55.95 56.72 3kfk s SER 352 Cb -0.30 -2.45 -0.05 0.00 0.10 0.00 0.00 66.02 63.32 3kfk s SER 352 CO 0.27 -1.32 -0.20 -0.04 0.98 0.00 0.00 173.24 172.93 3kfk s MET 353 N 4.17 1.61 -0.40 4.02 -1.94 -0.81 -4.44 119.30 121.50 3kfk s MET 353 Ca 0.30 -1.72 -0.27 0.00 -1.71 0.00 0.00 55.69 52.30 3kfk s MET 353 Cb -0.12 -1.69 0.02 0.00 2.01 0.00 0.00 34.83 35.05 3kfk s MET 353 CO 0.18 0.32 0.97 0.42 -0.01 0.00 0.00 175.02 176.90 3kfk s ILE 354 N -2.48 4.49 -0.88 2.53 1.01 -0.89 -2.66 121.20 122.33 3kfk s ILE 354 Ca 0.28 1.16 -0.21 0.00 0.00 0.00 0.00 60.65 61.88 3kfk s ILE 354 Cb -0.05 -4.41 0.10 0.00 0.01 0.00 0.00 42.46 38.11 3kfk s ILE 354 CO 0.13 -0.67 1.17 -0.36 0.00 0.00 0.00 174.94 175.21 3kfk s PHE 355 N 3.71 2.86 -0.67 3.97 0.40 0.10 -2.55 117.98 125.80 3kfk s PHE 355 Ca 0.40 -1.03 -0.19 0.00 -0.60 0.00 0.00 56.93 55.50 3kfk s PHE 355 Cb -0.11 -4.39 0.11 0.00 0.51 0.00 0.00 43.02 39.14 3kfk s PHE 355 CO 0.22 -1.65 0.83 0.08 0.70 0.00 0.00 175.22 175.41 3kfk s VAL 356 N 3.61 4.74 0.32 -0.44 1.01 -0.81 -1.92 120.40 126.91 3kfk s VAL 356 Ca 0.33 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 61.32 3kfk s VAL 356 Cb -0.06 -4.58 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 3kfk s VAL 356 CO -0.04 -1.26 0.15 -1.83 0.00 0.00 0.00 175.10 172.12 3kfk s GLU 357 N 2.85 1.64 -0.35 2.72 -1.05 -0.22 -0.80 118.70 123.48 3kfk s GLU 357 Ca 0.18 -1.94 -0.02 0.00 -0.15 0.00 0.00 54.97 53.03 3kfk s GLU 357 Cb -0.19 -0.20 -0.02 0.00 -0.44 0.00 0.00 34.13 33.29 3kfk s GLU 357 CO 0.04 -0.44 0.31 0.39 0.95 0.00 0.00 175.26 176.50 3kfk n GLU 358 N -0.63 -0.92 -1.87 -4.83 1.02 -1.26 -0.55 120.64 111.61 3kfk n GLU 358 Ca 0.00 0.29 -0.31 0.00 -0.02 0.00 0.00 57.16 57.12 3kfk n GLU 358 Cb 0.65 -3.01 0.02 0.00 -0.02 0.00 0.00 31.44 29.08 3kfk n GLU 358 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kfk n LYS 360 N -2.83 0.20 -3.90 0.00 4.76 -1.26 -4.81 118.16 110.32 3kfk n LYS 360 Ca 0.06 0.32 -0.29 0.00 -2.87 0.00 0.00 58.31 55.53 3kfk n LYS 360 Cb 0.55 -1.11 -0.13 0.00 -1.84 0.00 0.00 35.03 32.50 3kfk n LYS 360 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 3kfk s HIS 361 N -1.59 3.14 -0.11 2.13 2.46 -1.26 -5.10 115.29 114.96 3kfk s HIS 361 Ca -0.08 -3.14 -0.21 0.00 0.47 0.00 0.00 55.06 52.10 3kfk s HIS 361 Cb 0.01 -2.65 -0.04 0.00 -0.13 0.00 0.00 32.58 29.77 3kfk s HIS 361 CO 0.11 -0.68 0.61 -1.25 -2.47 0.00 0.00 174.74 171.06 3kfk s PRO 362 N -0.60 4.36 0.02 2.88 0.05 -1.26 -4.92 135.00 135.52 3kfk s PRO 362 Ca 0.20 0.68 0.24 0.00 0.05 0.00 0.00 61.00 62.17 3kfk s PRO 362 Cb -0.18 -3.47 0.29 0.00 0.05 0.00 0.00 34.50 31.19 3kfk s PRO 362 CO -0.06 0.04 1.25 1.63 0.05 0.00 0.00 177.00 179.91 3kfk n LYS 363 N 3.99 0.07 -4.61 4.56 4.76 -1.26 -4.35 118.16 121.32 3kfk n LYS 363 Ca -0.03 0.01 -0.24 0.00 -2.87 0.00 0.00 58.31 55.17 3kfk n LYS 363 Cb 0.51 -1.53 -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 1.25 -0.03 7.82 0.00 -1.26 -4.62 121.76 121.87 3kfk s ALA 364 Ca 0.09 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.63 3kfk s ALA 364 Cb 0.16 -0.51 -0.00 0.00 0.00 0.00 0.00 23.12 22.77 3kfk s ALA 364 CO 0.75 0.16 -0.15 0.08 0.00 0.00 0.00 175.76 176.59 3kfk s VAL 365 N 0.43 1.28 -0.14 0.00 1.01 -0.96 -4.78 120.40 117.23 3kfk s VAL 365 Ca -0.10 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 3kfk s VAL 365 Cb -0.13 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 3kfk s VAL 365 CO 0.03 0.37 0.04 -0.89 0.00 0.00 0.00 175.10 174.65 3kfk s THR 366 N -0.00 4.66 -0.33 3.92 2.01 -0.10 0.26 115.64 126.05 3kfk s THR 366 Ca -0.02 -0.10 -0.05 0.00 0.31 0.00 0.00 61.69 61.83 3kfk s THR 366 Cb -0.10 -3.04 0.04 0.00 0.01 0.00 0.00 72.50 69.41 3kfk s THR 366 CO 0.01 0.53 0.09 -0.04 -0.69 0.00 0.00 174.62 174.52 3kfk s MET 367 N -0.22 2.57 -1.28 4.92 -1.94 0.15 -2.03 119.30 121.48 3kfk s MET 367 Ca 0.07 -1.21 -0.17 0.00 -1.71 0.00 0.00 55.69 52.67 3kfk s MET 367 Cb -0.12 -3.41 0.09 0.00 2.01 0.00 0.00 34.83 33.40 3kfk s MET 367 CO 0.02 -0.66 1.67 -1.17 -0.01 0.00 0.00 175.02 174.86 3kfk s LEU 368 N 1.37 4.10 -0.27 -0.03 2.96 -1.22 -1.49 118.68 124.10 3kfk s LEU 368 Ca -0.02 -2.56 -0.29 0.00 -0.22 0.00 0.00 54.13 51.03 3kfk s LEU 368 Cb -0.20 -2.54 0.00 0.00 0.50 0.00 0.00 46.19 43.95 3kfk s LEU 368 CO 0.02 -1.08 1.26 -0.63 -1.32 0.00 0.00 176.35 174.60 3kfk s ILE 369 N 3.65 4.23 0.13 6.68 1.01 -0.49 -3.87 121.20 132.55 3kfk s ILE 369 Ca 0.51 1.42 0.07 0.00 0.00 0.00 0.00 60.65 62.66 3kfk s ILE 369 Cb 0.02 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 3kfk s ILE 369 CO 0.06 -0.39 -0.16 -0.13 0.00 0.00 0.00 174.94 174.32 3kfk s ARG 370 N 3.93 1.12 0.23 2.79 0.52 -1.26 -2.69 118.95 123.59 3kfk s ARG 370 Ca 0.54 -1.29 -0.21 0.00 -0.52 0.00 0.00 55.73 54.25 3kfk s ARG 370 Cb -0.17 -1.11 0.07 0.00 0.52 0.00 0.00 34.95 34.26 3kfk s ARG 370 CO 0.20 0.22 0.95 0.20 0.02 0.00 0.00 175.30 176.90 3kfk s GLY 371 N -2.46 0.09 0.01 -3.53 0.00 -1.20 -2.43 107.32 97.81 3kfk s GLY 371 Ca 0.11 -0.34 -0.21 0.00 0.00 0.00 0.00 44.72 44.28 3kfk s GLY 371 CO 0.04 1.22 1.04 -0.91 0.00 0.00 0.00 173.10 174.49 3kfk h THR 372 N 2.00 0.00 -2.78 0.90 1.35 -1.91 -3.05 112.91 109.42 3kfk h THR 372 Ca -0.28 -0.22 -0.59 0.00 -0.55 0.00 0.00 66.41 64.77 3kfk h THR 372 Cb 1.23 0.00 -0.08 0.00 -1.73 0.00 0.00 68.15 67.56 3kfk h THR 372 CO 0.34 0.00 -0.60 0.42 -0.25 0.00 0.00 175.52 175.44 3kfk s THR 373 N -4.24 4.22 0.48 6.82 -4.23 -1.26 -4.46 115.64 112.97 3kfk s THR 373 Ca -0.11 -1.19 0.14 0.00 -1.18 0.00 0.00 61.69 59.34 3kfk s THR 373 Cb 0.01 -3.14 0.24 0.00 1.34 0.00 0.00 72.50 70.95 3kfk s THR 373 CO 0.34 -0.10 2.08 -0.08 -0.54 0.00 0.00 174.62 176.32 3kfk h GLU 374 N 2.54 0.11 0.00 3.99 4.57 -1.97 -0.90 114.58 122.91 3kfk h GLU 374 Ca -0.47 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 57.59 3kfk h GLU 374 Cb 1.20 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 3kfk h GLU 374 CO 0.61 0.13 -0.49 0.45 -1.18 0.00 0.00 179.01 178.53 3kfk h HIS 375 N 0.11 0.00 -0.06 0.92 3.86 -1.99 -1.96 115.15 116.03 3kfk h HIS 375 Ca 0.03 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.12 3kfk h HIS 375 Cb 0.09 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.56 3kfk h HIS 375 CO 0.00 0.49 -0.43 0.28 0.86 0.00 0.00 177.93 179.13 3kfk h VAL 376 N 0.00 1.42 -0.55 2.45 2.07 -1.63 -3.21 116.25 116.80 3kfk h VAL 376 Ca -0.00 -1.84 0.07 0.00 0.82 0.00 0.00 66.70 65.74 3kfk h VAL 376 Cb 0.94 2.37 -0.06 0.00 -1.52 0.00 0.00 31.29 33.02 3kfk h VAL 376 CO 0.06 0.54 0.24 0.40 0.02 0.00 0.00 177.57 178.83 3kfk h ILE 377 N -0.09 0.88 -0.34 4.57 2.04 -1.10 -0.70 117.51 122.77 3kfk h ILE 377 Ca -0.04 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 3kfk h ILE 377 Cb 1.09 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 3kfk h ILE 377 CO 0.09 0.08 0.08 -0.08 0.00 0.00 0.00 178.15 178.32 3kfk h GLU 378 N 0.46 0.50 -0.12 2.37 4.81 -1.47 0.26 114.58 121.40 3kfk h GLU 378 Ca 0.26 -0.08 -0.21 0.00 -0.13 0.00 0.00 59.36 59.20 3kfk h GLU 378 Cb 0.24 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3kfk h GLU 378 CO -0.22 0.46 -0.77 1.49 -0.73 0.00 0.00 179.01 179.24 3kfk h GLU 379 N 0.49 0.63 0.00 1.92 4.57 -1.38 -1.83 114.58 118.97 3kfk h GLU 379 Ca 0.12 -0.52 -0.04 0.00 -1.18 0.00 0.00 59.36 57.74 3kfk h GLU 379 Cb 0.19 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 3kfk h GLU 379 CO -0.00 1.14 -0.17 0.28 -1.18 0.00 0.00 179.01 179.07 3kfk h VAL 380 N 0.42 0.40 -0.07 0.32 2.07 -0.61 -1.73 116.25 117.05 3kfk h VAL 380 Ca -0.05 -1.06 -0.23 0.00 0.82 0.00 0.00 66.70 66.19 3kfk h VAL 380 Cb 1.38 1.78 0.02 0.00 -1.52 0.00 0.00 31.29 32.95 3kfk h VAL 380 CO 0.15 0.17 -0.86 0.00 0.02 0.00 0.00 177.57 177.05 3kfk h ALA 381 N 1.83 0.20 0.00 1.67 0.00 -0.35 -3.14 119.26 119.47 3kfk h ALA 381 Ca -0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 3kfk h ALA 381 Cb 0.77 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3kfk h ALA 381 CO 0.02 0.64 -0.26 0.00 0.00 0.00 0.00 179.25 179.65 3kfk h ARG 382 N 0.40 0.00 -0.09 0.00 3.08 -1.21 -2.93 114.38 113.62 3kfk h ARG 382 Ca -0.09 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.81 3kfk h ARG 382 Cb 1.51 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.55 3kfk h ARG 382 CO 0.17 0.26 -0.60 0.00 -1.07 0.00 0.00 179.97 178.73 3kfk h ALA 383 N 1.74 0.79 -0.07 0.04 0.00 -1.38 -3.06 119.26 117.33 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 1.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3kfk h ALA 383 CO 0.03 0.72 -0.73 0.28 0.00 0.00 0.00 179.25 179.56 3kfk h VAL 384 N 0.24 1.39 -0.94 0.00 2.07 -1.51 -3.06 116.25 114.44 3kfk h VAL 384 Ca -0.01 -2.17 0.12 0.00 0.82 0.00 0.00 66.70 65.46 3kfk h VAL 384 Cb 1.12 2.14 -0.08 0.00 -1.52 0.00 0.00 31.29 32.94 3kfk h VAL 384 CO 0.10 0.65 0.57 0.44 0.02 0.00 0.00 177.57 179.35 3kfk h ASP 385 N 0.24 0.83 0.54 0.57 3.32 -1.41 0.23 116.42 120.73 3kfk h ASP 385 Ca -0.03 0.05 -0.18 0.00 0.02 0.00 0.00 57.03 56.89 3kfk h ASP 385 Cb 1.29 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 3kfk h ASP 385 CO 0.12 0.44 -0.80 0.44 -1.72 0.00 0.00 179.24 177.71 3kfk h ASP 386 N 0.91 0.24 0.51 6.45 5.19 -1.59 -3.06 116.42 125.07 3kfk h ASP 386 Ca 0.47 -0.18 -0.15 0.00 -0.62 0.00 0.00 57.03 56.55 3kfk h ASP 386 Cb 0.48 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.90 3kfk h ASP 386 CO -0.27 0.95 -0.65 0.00 -3.12 0.00 0.00 179.24 176.14 3kfk h ALA 387 N 1.04 0.85 -0.27 3.45 0.00 -1.09 -2.98 119.26 120.26 3kfk h ALA 387 Ca -0.03 -0.58 -0.18 0.00 0.00 0.00 0.00 54.91 54.11 3kfk h ALA 387 Cb 1.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3kfk h ALA 387 CO 0.12 0.78 -0.54 0.28 0.00 0.00 0.00 179.25 179.89 3kfk h VAL 388 N 0.09 1.28 0.01 0.00 2.07 -0.67 -3.24 116.25 115.79 3kfk h VAL 388 Ca -0.01 -1.73 -0.00 0.00 0.82 0.00 0.00 66.70 65.78 3kfk h VAL 388 Cb 1.17 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 3kfk h VAL 388 CO 0.09 0.56 -0.00 1.23 0.02 0.00 0.00 177.57 179.47 3kfk h GLY 389 N 0.62 -0.01 1.05 2.17 0.00 -1.49 -1.59 103.07 103.83 3kfk h GLY 389 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 3kfk h GLY 389 CO 0.12 -0.00 0.14 -0.39 0.00 0.00 0.00 176.54 176.41 3kfk h VAL 390 N -0.07 1.26 -0.29 4.60 -1.51 -1.64 0.14 116.25 118.73 3kfk h VAL 390 Ca -0.00 -0.99 -0.15 0.00 -1.23 0.00 0.00 66.70 64.33 3kfk h VAL 390 Cb 0.07 0.63 -0.01 0.00 -2.13 0.00 0.00 31.29 29.85 3kfk h VAL 390 CO 0.00 0.37 -0.43 0.58 -1.23 0.00 0.00 177.57 176.86 3kfk h VAL 391 N 1.00 1.29 -0.22 7.19 2.07 -1.58 -1.24 116.25 124.76 3kfk h VAL 391 Ca 0.20 -1.61 -0.08 0.00 0.82 0.00 0.00 66.70 66.03 3kfk h VAL 391 Cb 0.40 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3kfk h VAL 391 CO 0.01 0.52 -0.23 1.23 0.02 0.00 0.00 177.57 179.12 3kfk h GLY 392 N 0.93 0.43 1.84 2.17 0.00 -1.00 -2.51 103.07 104.92 3kfk h GLY 392 Ca 0.04 -0.33 -0.18 0.00 0.00 0.00 0.00 47.33 46.86 3kfk h GLY 392 CO 0.09 0.30 -0.81 0.00 0.00 0.00 0.00 176.54 176.13 3kfk h THR 394 N 0.09 1.29 -0.38 0.00 2.02 -1.05 -0.30 112.91 114.57 3kfk h THR 394 Ca -0.03 -1.54 -0.14 0.00 0.77 0.00 0.00 66.41 65.47 3kfk h THR 394 Cb 1.41 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 69.27 3kfk h THR 394 CO 0.12 0.50 -0.30 0.40 0.37 0.00 0.00 175.52 176.60 3kfk h ILE 395 N 0.57 1.28 -0.14 3.11 2.04 -1.50 0.09 117.51 122.96 3kfk h ILE 395 Ca 0.05 -1.46 -0.19 0.00 1.00 0.00 0.00 64.86 64.25 3kfk h ILE 395 Cb 0.90 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3kfk h ILE 395 CO 0.08 0.49 -0.69 -0.33 0.00 0.00 0.00 178.15 177.70 3kfk h GLU 396 N 0.69 0.60 0.00 2.37 5.08 -1.43 -3.40 114.58 118.49 3kfk h GLU 396 Ca 0.07 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3kfk h GLU 396 Cb 0.88 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3kfk h GLU 396 CO 0.08 1.08 -0.64 -0.25 -1.00 0.00 0.00 179.01 178.28 3kfk n ASP 397 N -3.91 1.45 -1.54 1.42 10.43 -0.13 -5.07 116.55 119.20 3kfk n ASP 397 Ca -0.05 0.35 -0.00 0.00 2.57 0.00 0.00 54.79 57.65 3kfk n ASP 397 Cb 0.69 -0.72 -0.00 0.00 1.84 0.00 0.00 41.12 42.94 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 1.53 -2.93 0.00 0.44 0.00 0.02 -5.06 105.19 99.18 3kfk n GLY 398 Ca -0.09 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3kfk n GLY 398 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kfk n ARG 399 N 0.04 0.00 -4.08 1.61 1.74 -1.26 -4.95 116.66 109.76 3kfk n ARG 399 Ca -0.01 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.97 3kfk n ARG 399 Cb 0.01 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.34 3kfk n ARG 399 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3kfk s ILE 400 N -2.00 0.40 0.13 0.55 -4.36 -0.03 -3.09 121.20 112.80 3kfk s ILE 400 Ca 0.00 -1.43 0.06 0.00 -0.26 0.00 0.00 60.65 59.03 3kfk s ILE 400 Cb 0.00 -1.01 -0.04 0.00 1.25 0.00 0.00 42.46 42.66 3kfk s ILE 400 CO 0.00 -0.68 -0.14 0.68 0.24 0.00 0.00 174.94 175.04 3kfk s VAL 401 N -2.56 1.40 0.13 8.37 -7.23 0.21 -0.27 120.40 120.45 3kfk s VAL 401 Ca -0.02 -1.80 -0.31 0.00 -1.81 0.00 0.00 61.98 58.05 3kfk s VAL 401 Cb -0.02 -1.62 -0.08 0.00 0.56 0.00 0.00 36.38 35.22 3kfk s VAL 401 CO -0.04 -0.44 1.30 -0.94 -0.31 0.00 0.00 175.10 174.67 3kfk s SER 402 N -2.59 6.94 0.30 4.85 1.04 -1.26 -0.42 113.70 122.56 3kfk s SER 402 Ca 0.11 2.26 0.00 0.00 0.48 0.00 0.00 55.95 58.80 3kfk s SER 402 Cb -0.04 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.49 3kfk s SER 402 CO 0.03 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.33 3kfk n GLY 403 N 2.96 1.01 2.17 7.32 0.00 -0.97 -3.29 105.19 114.38 3kfk n GLY 403 Ca 0.08 -1.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.02 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 4.98 0.01 2.54 -0.02 0.00 -1.26 -3.38 105.19 108.06 3kfk n GLY 404 Ca 0.00 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.01 0.17 0.12 -0.02 0.00 -1.26 -3.03 105.19 100.16 3kfk n GLY 405 Ca -0.10 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.74 1.91 0.10 1.61 2.88 -1.22 -4.27 113.62 113.90 3kfk n SER 406 Ca -0.01 0.39 0.12 0.00 -1.33 0.00 0.00 58.87 58.04 3kfk n SER 406 Cb 0.54 -0.88 0.45 0.00 -0.75 0.00 0.00 64.21 63.57 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 -4.35 0.69 0.16 2.46 -2.24 -1.21 -2.93 114.28 106.86 3kfk n THR 407 Ca -0.41 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.39 3kfk n THR 407 Cb 0.76 -0.87 0.25 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 0.00 0.22 -0.78 3.07 -1.88 -2.25 114.58 112.96 3kfk h GLU 408 Ca 0.00 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.51 3kfk h GLU 408 Cb 0.52 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.45 3kfk h GLU 408 CO 0.00 0.51 -1.65 0.28 -1.40 0.00 0.00 179.01 176.75 3kfk h VAL 409 N 0.00 1.07 -0.71 3.13 2.07 -1.71 -3.03 116.25 117.07 3kfk h VAL 409 Ca -0.01 -2.59 -0.02 0.00 0.82 0.00 0.00 66.70 64.90 3kfk h VAL 409 Cb 1.00 2.88 -0.03 0.00 -1.52 0.00 0.00 31.29 33.61 3kfk h VAL 409 CO 0.07 0.84 0.35 -0.08 0.02 0.00 0.00 177.57 178.77 3kfk h GLU 410 N 0.12 1.02 0.00 1.57 4.57 -1.55 -2.20 114.58 118.11 3kfk h GLU 410 Ca -0.31 -0.14 -0.12 0.00 -1.18 0.00 0.00 59.36 57.61 3kfk h GLU 410 Cb 2.13 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 30.52 3kfk h GLU 410 CO 0.22 0.79 -0.55 1.25 -1.18 0.00 0.00 179.01 179.54 3kfk h LEU 411 N 0.99 0.00 -0.24 1.64 5.85 -1.54 -2.93 115.31 119.07 3kfk h LEU 411 Ca 0.25 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.81 3kfk h LEU 411 Cb 0.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3kfk h LEU 411 CO -0.03 0.55 -0.47 -1.28 -0.34 0.00 0.00 178.44 176.87 3kfk h SER 412 N 0.00 0.83 0.95 1.25 0.87 -1.34 -2.73 113.55 113.38 3kfk h SER 412 Ca -0.01 -0.54 -0.13 0.00 -1.23 0.00 0.00 61.79 59.88 3kfk h SER 412 Cb 1.09 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.80 3kfk h SER 412 CO 0.07 1.22 -0.63 0.00 -0.53 0.00 0.00 176.83 176.96 3kfk h MET 413 N 0.48 0.00 0.00 2.24 -0.00 -1.46 -2.96 114.93 113.23 3kfk h MET 413 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.71 3kfk h MET 413 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.67 3kfk h MET 413 CO 0.10 0.63 0.00 0.87 -0.00 0.00 0.00 176.91 178.51 3kfk h LYS 414 N 0.00 0.00 0.00 -0.10 1.79 -1.53 -3.14 116.57 113.59 3kfk h LYS 414 Ca -0.01 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.43 3kfk h LYS 414 Cb 1.27 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.92 3kfk h LYS 414 CO 0.08 0.00 -1.40 1.28 -1.08 0.00 0.00 179.45 178.33 3kfk n LEU 415 N -3.02 0.56 0.04 2.94 4.77 -1.03 -3.01 117.00 118.24 3kfk n LEU 415 Ca 0.04 0.22 -0.13 0.00 -0.03 0.00 0.00 56.01 56.11 3kfk n LEU 415 Cb 0.51 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 3kfk n LEU 415 CO 0.33 -0.07 0.28 0.03 -1.33 0.00 0.00 177.39 176.63 3kfk h ARG 416 N 0.00 0.50 0.00 3.23 3.08 -1.55 -0.54 114.38 119.11 3kfk h ARG 416 Ca -0.04 -0.45 -0.07 0.00 0.07 0.00 0.00 59.98 59.50 3kfk h ARG 416 Cb 1.10 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 3kfk h ARG 416 CO 0.01 1.08 -0.32 1.05 -1.07 0.00 0.00 179.97 180.71 3kfk h GLU 417 N 0.33 0.00 -0.05 0.04 4.11 -1.70 -2.82 114.58 114.49 3kfk h GLU 417 Ca -0.05 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.22 3kfk h GLU 417 Cb 1.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 3kfk h GLU 417 CO 0.15 0.32 -0.67 -0.92 0.07 0.00 0.00 179.01 177.96 3kfk h TYR 418 N 0.00 0.31 -0.03 2.06 3.20 -1.44 -3.14 116.97 117.93 3kfk h TYR 418 Ca -0.00 -0.13 -0.09 0.00 3.14 0.00 0.00 58.73 61.65 3kfk h TYR 418 Cb 1.07 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 3kfk h TYR 418 CO 0.00 0.83 -0.40 0.00 -1.64 0.00 0.00 178.16 176.95 3kfk h ALA 419 N 1.14 1.29 -0.07 1.82 0.00 -0.92 -3.05 119.26 119.46 3kfk h ALA 419 Ca -0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 3kfk h ALA 419 Cb 1.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3kfk h ALA 419 CO 0.10 0.52 -0.04 0.93 0.00 0.00 0.00 179.25 180.76 3kfk h GLU 420 N 0.05 0.10 -0.58 0.00 5.08 -1.45 -2.19 114.58 115.60 3kfk h GLU 420 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3kfk h GLU 420 Cb 0.73 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3kfk h GLU 420 CO 0.05 0.16 0.00 0.41 -1.00 0.00 0.00 179.01 178.63 3kfk n GLY 421 N -1.26 1.45 3.26 -3.84 0.00 -1.15 -4.81 105.19 98.84 3kfk n GLY 421 Ca -0.02 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.69 2.81 -0.10 -0.61 1.01 -0.82 -5.11 121.20 116.69 3kfk s ILE 422 Ca 0.25 -0.70 -0.10 0.00 0.00 0.00 0.00 60.65 60.10 3kfk s ILE 422 Cb 0.16 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 3kfk s ILE 422 CO 0.12 0.49 0.23 -0.94 0.00 0.00 0.00 174.94 174.84 3kfk s SER 423 N 1.04 6.48 0.00 3.58 1.04 -1.26 -4.67 113.70 119.91 3kfk s SER 423 Ca -0.01 0.58 0.00 0.00 0.48 0.00 0.00 55.95 57.00 3kfk s SER 423 Cb -0.15 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 63.84 3kfk s SER 423 CO -0.03 0.32 0.00 0.61 0.98 0.00 0.00 173.24 175.12 3kfk n GLY 424 N 2.29 0.33 0.04 7.32 0.00 -1.26 -4.76 105.19 109.15 3kfk n GLY 424 Ca -0.17 -2.28 0.12 0.00 0.00 0.00 0.00 46.02 43.69 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 0.00 0.15 0.14 1.61 0.63 -1.26 -3.61 116.66 114.32 3kfk n ARG 425 Ca 0.00 0.05 0.12 0.00 -0.92 0.00 0.00 57.85 57.10 3kfk n ARG 425 Cb 0.00 -1.60 0.50 0.00 0.45 0.00 0.00 32.46 31.80 3kfk n ARG 425 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 3kfk h GLU 426 N 0.00 0.00 -0.51 -0.14 4.11 -1.86 -3.07 114.58 113.11 3kfk h GLU 426 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 3kfk h GLU 426 Cb 0.63 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3kfk h GLU 426 CO 0.00 0.00 0.28 0.37 0.07 0.00 0.00 179.01 179.73 3kfk h GLN 427 N 0.00 0.71 0.00 1.06 4.15 -1.83 -2.80 115.11 116.40 3kfk h GLN 427 Ca 0.00 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 3kfk h GLN 427 Cb 0.43 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 3kfk h GLN 427 CO 0.00 0.56 -0.19 -0.07 -1.93 0.00 0.00 178.83 177.20 3kfk h LEU 428 N 0.68 0.00 -0.54 -2.39 3.38 -1.79 0.33 115.31 114.98 3kfk h LEU 428 Ca 0.18 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.99 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 0.19 -0.61 0.00 0.09 0.00 0.00 178.44 178.08 3kfk h ALA 429 N 1.81 0.73 -0.09 1.53 0.00 -1.64 -0.90 119.26 120.70 3kfk h ALA 429 Ca -0.00 -0.54 -0.20 0.00 0.00 0.00 0.00 54.91 54.16 3kfk h ALA 429 Cb 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3kfk h ALA 429 CO 0.02 0.71 -0.78 0.28 0.00 0.00 0.00 179.25 179.49 3kfk h VAL 430 N 0.31 1.35 -0.63 0.00 2.07 -1.08 -1.59 116.25 116.68 3kfk h VAL 430 Ca -0.01 -2.13 -0.08 0.00 0.82 0.00 0.00 66.70 65.30 3kfk h VAL 430 Cb 1.14 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 33.01 3kfk h VAL 430 CO 0.11 0.65 0.09 0.03 0.02 0.00 0.00 177.57 178.46 3kfk h ARG 431 N 0.35 1.05 0.00 1.57 3.08 -0.91 -0.64 114.38 118.89 3kfk h ARG 431 Ca -0.05 -0.29 -0.10 0.00 0.07 0.00 0.00 59.98 59.62 3kfk h ARG 431 Cb 1.38 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 3kfk h ARG 431 CO 0.14 0.98 -0.46 0.00 -1.07 0.00 0.00 179.97 179.56 3kfk h ALA 432 N 1.03 1.05 -0.25 0.04 0.00 -1.16 -0.69 119.26 119.28 3kfk h ALA 432 Ca 0.19 -0.42 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 3kfk h ALA 432 Cb 0.45 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3kfk h ALA 432 CO 0.01 0.58 -0.54 0.35 0.00 0.00 0.00 179.25 179.65 3kfk h PHE 433 N 0.00 0.94 0.04 0.00 3.57 -0.96 -2.55 116.94 117.98 3kfk h PHE 433 Ca -0.00 -0.33 -0.24 0.00 3.53 0.00 0.00 57.97 60.93 3kfk h PHE 433 Cb 0.92 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 3kfk h PHE 433 CO 0.00 1.12 -1.03 0.00 -2.23 0.00 0.00 178.31 176.17 3kfk h ALA 434 N 0.81 0.31 0.00 2.41 0.00 -0.97 -3.18 119.26 118.65 3kfk h ALA 434 Ca 0.01 -0.77 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 3kfk h ALA 434 Cb 1.12 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3kfk h ALA 434 CO 0.11 0.89 -0.12 -0.44 0.00 0.00 0.00 179.25 179.70 3kfk h ASP 435 N 0.15 0.00 1.72 0.00 5.19 -1.17 -2.88 116.42 119.43 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 1.69 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.20 3kfk h ASP 435 CO 0.17 0.12 0.00 0.00 -3.12 0.00 0.00 179.24 176.41 3kfk h ALA 436 N 1.88 1.00 0.00 3.45 0.00 -1.43 -3.26 119.26 120.90 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 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3kfk h ALA 436 CO 0.02 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.20 3kfk h LEU 437 N 0.00 0.00 -1.60 0.00 3.38 -1.51 -3.13 115.31 112.45 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 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 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 -2.57 2.16 0.11 1.13 1.02 -1.23 -4.11 120.64 117.15 3kfk n GLU 438 Ca 0.03 -1.32 -0.17 0.00 -0.02 0.00 0.00 57.16 55.67 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 1.96 1.44 -0.11 2.62 3.04 -1.78 -3.07 116.25 120.34 3kfk h VAL 439 Ca 0.00 -2.87 -0.01 0.00 -1.01 0.00 0.00 66.70 62.81 3kfk h VAL 439 Cb 0.72 2.86 -0.00 0.00 -2.01 0.00 0.00 31.29 32.86 3kfk h VAL 439 CO 0.08 0.84 0.01 0.40 -1.01 0.00 0.00 177.57 177.90 3kfk h ILE 440 N 0.12 1.23 0.00 3.17 1.08 -1.84 0.11 117.51 121.39 3kfk h ILE 440 Ca -0.15 -0.74 -0.04 0.00 -0.39 0.00 0.00 64.86 63.55 3kfk h ILE 440 Cb 1.93 1.52 -0.01 0.00 -3.07 0.00 0.00 36.82 37.20 3kfk h ILE 440 CO 0.21 0.21 -0.17 -0.65 -0.69 0.00 0.00 178.15 177.06 3kfk h PRO 441 N -0.06 0.00 -0.07 2.37 0.11 -1.83 -1.64 132.00 130.88 3kfk h PRO 441 Ca 0.03 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.93 3kfk h PRO 441 Cb 0.32 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.44 3kfk h PRO 441 CO 0.00 0.17 -0.77 -0.09 -0.21 0.00 0.00 178.00 177.10 3kfk h ARG 442 N 0.00 0.65 0.00 1.05 2.43 -1.38 -3.20 114.38 113.92 3kfk h ARG 442 Ca -0.00 -0.60 -0.09 0.00 -0.81 0.00 0.00 59.98 58.48 3kfk h ARG 442 Cb 0.47 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 3kfk h ARG 442 CO 0.02 1.21 -0.41 1.79 -1.51 0.00 0.00 179.97 181.08 3kfk h THR 443 N 0.30 0.90 0.00 0.20 1.35 -0.63 -2.43 112.91 112.60 3kfk h THR 443 Ca -0.08 -1.66 -0.05 0.00 -0.55 0.00 0.00 66.41 64.08 3kfk h THR 443 Cb 1.43 2.01 -0.01 0.00 -1.73 0.00 0.00 68.15 69.85 3kfk h THR 443 CO 0.16 0.40 -0.24 -0.07 -0.25 0.00 0.00 175.52 175.52 3kfk h LEU 444 N 0.00 0.00 0.02 3.87 3.38 -1.34 -2.60 115.31 118.64 3kfk h LEU 444 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.69 3kfk h LEU 444 Cb 0.98 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 3kfk h LEU 444 CO 0.05 0.24 -1.50 0.00 0.09 0.00 0.00 178.44 177.32 3kfk h ALA 445 N 1.76 0.59 -0.62 1.53 0.00 -1.51 -3.19 119.26 117.83 3kfk h ALA 445 Ca -0.00 -1.27 0.01 0.00 0.00 0.00 0.00 54.91 53.64 3kfk h ALA 445 Cb 0.52 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3kfk h ALA 445 CO 0.03 1.44 0.41 0.93 0.00 0.00 0.00 179.25 182.06 3kfk h GLU 446 N 0.01 0.80 -0.00 0.00 5.08 -1.13 -2.42 114.58 116.92 3kfk h GLU 446 Ca -0.21 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3kfk h GLU 446 Cb 1.95 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 31.01 3kfk h GLU 446 CO 0.10 0.53 -0.29 0.09 -1.00 0.00 0.00 179.01 178.45 3kfk n ASN 447 N -4.66 0.35 0.05 1.42 3.02 -1.01 -3.89 115.26 110.55 3kfk n ASN 447 Ca 0.05 -0.06 -0.11 0.00 -0.03 0.00 0.00 54.58 54.42 3kfk n ASN 447 Cb 0.03 -0.03 -0.13 0.00 -0.61 0.00 0.00 39.78 39.03 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 3.09 0.36 0.00 5.41 0.00 -1.43 -3.43 119.26 123.26 3kfk h ALA 448 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.86 3kfk h ALA 448 Cb 0.49 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3kfk h ALA 448 CO 0.00 1.24 0.00 0.41 0.00 0.00 0.00 179.25 180.90 3kfk n GLY 449 N 1.49 2.03 3.81 0.00 0.00 -0.98 -5.08 105.19 106.47 3kfk n GLY 449 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 2.80 0.11 0.99 1.02 -1.20 -4.99 118.68 117.40 3kfk s LEU 450 Ca 0.00 1.40 -0.31 0.00 0.02 0.00 0.00 54.13 55.24 3kfk s LEU 450 Cb 0.00 -4.12 -0.07 0.00 0.02 0.00 0.00 46.19 42.02 3kfk s LEU 450 CO 0.00 -1.75 1.33 -0.62 0.02 0.00 0.00 176.35 175.33 3kfk s ASP 451 N -3.89 6.90 0.00 2.29 3.68 -1.26 -4.38 116.67 120.00 3kfk s ASP 451 Ca 0.60 2.26 0.30 0.00 2.13 0.00 0.00 52.55 57.83 3kfk s ASP 451 Cb -0.14 -2.59 1.39 0.00 -1.45 0.00 0.00 42.92 40.13 3kfk s ASP 451 CO 0.54 -0.59 1.94 0.00 0.13 0.00 0.00 175.17 177.19 3kfk n ALA 452 N 3.79 2.65 -0.09 3.66 0.00 -1.26 -3.50 120.51 125.76 3kfk n ALA 452 Ca 0.10 -0.33 -0.09 0.00 0.00 0.00 0.00 53.44 53.12 3kfk n ALA 452 Cb 0.43 -1.32 -0.13 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.40 1.17 0.01 0.00 5.41 -1.26 -4.16 119.36 120.13 3kfk n ILE 453 Ca 0.20 -0.69 -0.18 0.00 1.00 0.00 0.00 62.75 63.09 3kfk n ILE 453 Cb 0.25 -0.64 -0.14 0.00 -0.71 0.00 0.00 39.64 38.40 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 0.20 -0.11 0.38 4.57 -1.98 -3.33 114.58 114.30 3kfk h GLU 454 Ca -0.46 -0.33 -0.12 0.00 -1.18 0.00 0.00 59.36 57.26 3kfk h GLU 454 Cb 2.01 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 30.71 3kfk h GLU 454 CO 0.01 1.16 -0.48 0.82 -1.18 0.00 0.00 179.01 179.34 3kfk h ILE 455 N -0.59 1.33 0.00 2.32 2.04 -1.82 -2.75 117.51 118.04 3kfk h ILE 455 Ca -0.09 -1.69 -0.00 0.00 1.00 0.00 0.00 64.86 64.08 3kfk h ILE 455 Cb 1.42 1.78 -0.00 0.00 -0.74 0.00 0.00 36.82 39.27 3kfk h ILE 455 CO 0.10 0.50 -0.00 0.25 0.00 0.00 0.00 178.15 179.00 3kfk h LEU 456 N 0.23 0.00 0.11 1.44 5.85 -1.72 -1.55 115.31 119.66 3kfk h LEU 456 Ca 0.01 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.37 3kfk h LEU 456 Cb 0.93 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 3kfk h LEU 456 CO 0.08 0.00 -2.01 0.52 -0.34 0.00 0.00 178.44 176.69 3kfk n VAL 457 N -3.22 1.76 -0.22 1.05 0.31 -1.07 -3.78 118.33 113.17 3kfk n VAL 457 Ca -0.03 -0.63 -0.06 0.00 -0.01 0.00 0.00 64.34 63.61 3kfk n VAL 457 Cb 0.08 -1.72 0.04 0.00 -0.91 0.00 0.00 33.84 31.32 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 0.03 0.84 -0.01 5.55 1.57 -1.04 -1.83 116.57 121.68 3kfk h LYS 458 Ca -0.43 -0.09 -0.24 0.00 -1.87 0.00 0.00 60.65 58.02 3kfk h LYS 458 Cb 2.00 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 34.15 3kfk h LYS 458 CO 0.07 0.63 -0.96 0.28 -0.57 0.00 0.00 179.45 178.89 3kfk h VAL 459 N 0.83 1.36 -0.82 0.50 2.07 -1.56 -2.92 116.25 115.71 3kfk h VAL 459 Ca 0.22 -2.35 -0.03 0.00 0.82 0.00 0.00 66.70 65.36 3kfk h VAL 459 Cb 0.02 2.37 -0.04 0.00 -1.52 0.00 0.00 31.29 32.12 3kfk h VAL 459 CO -0.04 0.71 0.40 -0.09 0.02 0.00 0.00 177.57 178.58 3kfk h ARG 460 N 0.30 1.17 0.00 1.57 2.43 -1.61 -2.13 114.38 116.10 3kfk h ARG 460 Ca -0.09 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 58.86 3kfk h ARG 460 Cb 1.59 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 3kfk h ARG 460 CO 0.17 0.89 -0.25 0.00 -1.51 0.00 0.00 179.97 179.28 3kfk h ALA 461 N 1.28 0.89 -0.30 2.80 0.00 -1.40 -3.16 119.26 119.36 3kfk h ALA 461 Ca 0.28 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kfk h ALA 461 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kfk h ALA 461 CO -0.04 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.52 3kfk n ALA 462 N -2.18 2.46 0.09 0.00 0.00 -0.82 -3.63 120.51 116.42 3kfk n ALA 462 Ca 0.02 -0.55 0.04 0.00 0.00 0.00 0.00 53.44 52.95 3kfk n ALA 462 Cb 0.55 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 18.97 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 0.41 0.00 -0.68 0.00 -0.00 -1.08 -1.78 115.22 112.09 3kfk n HIS 463 Ca 0.11 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.52 3kfk n HIS 463 Cb 0.27 -0.12 0.17 0.00 -0.00 0.00 0.00 29.99 30.30 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 -1.07 -0.89 -1.41 0.00 -1.24 -4.39 120.51 109.92 3kfk n ALA 464 Ca -0.01 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.86 3kfk n ALA 464 Cb 0.17 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.47 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 -3.95 0.00 0.00 0.00 3.41 -1.26 -4.03 113.62 107.79 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 2.53 0.00 -4.78 4.04 4.13 -1.26 -5.10 115.26 114.82 3kfk n ASN 466 Ca 0.00 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 55.93 3kfk n ASN 466 Cb 0.00 -0.00 0.04 0.00 -1.54 0.00 0.00 39.78 38.28 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 -2.27 2.09 -0.19 7.41 0.00 -1.26 -4.36 107.32 108.74 3kfk s GLY 467 Ca 0.00 0.45 0.12 0.00 0.00 0.00 0.00 44.72 45.29 3kfk s GLY 467 CO 0.00 0.79 -0.02 0.70 0.00 0.00 0.00 173.10 174.57 3kfk n ASN 468 N -2.37 1.08 0.00 1.64 3.02 -0.73 -3.66 115.26 114.24 3kfk n ASN 468 Ca 0.10 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 3kfk n ASN 468 Cb 0.52 0.53 0.00 0.00 -0.61 0.00 0.00 39.78 40.23 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 -2.82 0.00 -0.58 3.52 4.81 -1.26 -4.67 118.16 117.15 3kfk n LYS 469 Ca -0.33 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.16 3kfk n LYS 469 Cb 1.04 -0.03 0.20 0.00 0.02 0.00 0.00 35.03 36.26 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 -3.20 3.49 0.35 0.00 0.00 -1.26 -0.17 121.76 120.98 3kfk s ALA 471 Ca 0.39 -0.25 -0.03 0.00 0.00 0.00 0.00 51.96 52.06 3kfk s ALA 471 Cb 0.37 -2.75 0.01 0.00 0.00 0.00 0.00 23.12 20.75 3kfk s ALA 471 CO -0.05 -0.21 0.51 0.20 0.00 0.00 0.00 175.76 176.22 3kfk s GLY 472 N 0.87 1.44 -0.21 0.00 0.00 -0.49 -4.44 107.32 104.49 3kfk s GLY 472 Ca 0.26 -1.48 -0.15 0.00 0.00 0.00 0.00 44.72 43.35 3kfk s GLY 472 CO 0.11 -0.95 0.38 -2.27 0.00 0.00 0.00 173.10 170.37 3kfk s LEU 473 N -3.23 4.14 -0.40 0.66 2.96 -1.17 -1.20 118.68 120.44 3kfk s LEU 473 Ca 0.29 0.47 -0.15 0.00 -0.22 0.00 0.00 54.13 54.52 3kfk s LEU 473 Cb -0.01 -2.48 0.01 0.00 0.50 0.00 0.00 46.19 44.21 3kfk s LEU 473 CO 0.20 -0.08 0.31 0.21 -1.32 0.00 0.00 176.35 175.67 3kfk s ASN 474 N 1.11 6.12 0.49 3.68 2.47 -1.25 -4.83 114.94 122.72 3kfk s ASN 474 Ca 0.18 -0.75 0.24 0.00 0.42 0.00 0.00 52.86 52.94 3kfk s ASN 474 Cb -0.15 -2.17 1.26 0.00 -1.45 0.00 0.00 41.25 38.74 3kfk s ASN 474 CO 0.08 -0.42 2.01 -0.37 -3.72 0.00 0.00 177.10 174.67 3kfk h VAL 475 N 5.61 0.71 0.24 -5.21 -1.51 -1.91 0.12 116.25 114.30 3kfk h VAL 475 Ca -0.28 -0.70 -0.33 0.00 -1.23 0.00 0.00 66.70 64.17 3kfk h VAL 475 Cb 1.13 1.43 0.03 0.00 -2.13 0.00 0.00 31.29 31.75 3kfk h VAL 475 CO 0.72 0.17 -1.47 -0.26 -1.23 0.00 0.00 177.57 175.49 3kfk h PHE 476 N 0.00 0.92 0.05 5.19 0.04 -1.97 -3.36 116.94 117.81 3kfk h PHE 476 Ca -0.00 -0.67 -0.14 0.00 2.80 0.00 0.00 57.97 59.96 3kfk h PHE 476 Cb 0.42 -0.04 0.01 0.00 2.20 0.00 0.00 35.95 38.54 3kfk h PHE 476 CO 0.00 1.56 -0.56 1.15 -0.60 0.00 0.00 178.31 179.86 3kfk h THR 477 N 0.10 1.51 0.00 -1.55 2.02 -1.95 -3.48 112.91 109.56 3kfk h THR 477 Ca -0.26 -2.23 0.00 0.00 0.77 0.00 0.00 66.41 64.69 3kfk h THR 477 Cb 2.12 2.90 0.00 0.00 -1.74 0.00 0.00 68.15 71.43 3kfk h THR 477 CO 0.25 0.63 0.00 0.61 0.37 0.00 0.00 175.52 177.38 3kfk n GLY 478 N 1.31 3.06 3.87 2.16 0.00 0.40 -5.05 105.19 110.94 3kfk n GLY 478 Ca -0.11 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.30 3.18 0.02 4.61 0.00 -1.26 -4.79 121.76 123.21 3kfk s ALA 479 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.58 3kfk s ALA 479 Cb 0.00 -2.95 -0.06 0.00 0.00 0.00 0.00 23.12 20.10 3kfk s ALA 479 CO 0.00 -0.35 1.49 0.54 0.00 0.00 0.00 175.76 177.44 3kfk s VAL 480 N -2.77 3.50 0.21 0.00 0.11 -1.26 -3.91 120.40 116.28 3kfk s VAL 480 Ca 0.55 0.89 0.07 0.00 -2.93 0.00 0.00 61.98 60.56 3kfk s VAL 480 Cb -0.10 -3.58 -0.05 0.00 -1.53 0.00 0.00 36.38 31.12 3kfk s VAL 480 CO 0.40 -0.01 -0.12 -1.61 -3.33 0.00 0.00 175.10 170.44 3kfk s GLU 481 N 2.56 1.31 -0.23 1.54 2.02 -0.34 -4.96 118.70 120.61 3kfk s GLU 481 Ca 0.67 -1.60 -0.29 0.00 0.02 0.00 0.00 54.97 53.77 3kfk s GLU 481 Cb -0.34 -1.01 -0.01 0.00 0.10 0.00 0.00 34.13 32.88 3kfk s GLU 481 CO 0.28 0.13 1.29 0.34 0.02 0.00 0.00 175.26 177.32 3kfk s ASP 482 N -3.31 6.81 0.44 -0.19 -1.08 -1.26 -1.39 116.67 116.68 3kfk s ASP 482 Ca 0.23 1.46 0.24 0.00 -0.52 0.00 0.00 52.55 53.96 3kfk s ASP 482 Cb 0.01 -2.54 0.76 0.00 -1.46 0.00 0.00 42.92 39.69 3kfk s ASP 482 CO 0.07 -0.92 1.76 0.24 0.52 0.00 0.00 175.17 176.83 3kfk h MET 483 N 8.76 0.00 -0.29 4.34 2.86 -0.88 -2.88 114.93 126.84 3kfk h MET 483 Ca -0.26 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.25 3kfk h MET 483 Cb 1.10 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 3kfk h MET 483 CO 1.00 0.18 -0.35 0.00 1.06 0.00 0.00 176.91 178.80 3kfk h GLU 485 N 0.54 0.00 -0.01 0.00 5.08 -1.91 -3.33 114.58 114.95 3kfk h GLU 485 Ca 0.06 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.25 3kfk h GLU 485 Cb 0.85 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 3kfk h GLU 485 CO 0.07 0.18 -0.76 -0.91 -1.00 0.00 0.00 179.01 176.59 3kfk h ASN 486 N 0.00 0.08 0.00 1.42 4.21 -1.46 -3.48 115.58 116.35 3kfk h ASN 486 Ca -0.04 -0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.41 3kfk h ASN 486 Cb 1.23 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 38.40 3kfk h ASN 486 CO 0.03 0.81 0.00 0.61 -1.29 0.00 0.00 177.43 177.58 3kfk n GLY 487 N 0.64 1.01 3.40 2.83 0.00 -1.10 -5.05 105.19 106.91 3kfk n GLY 487 Ca -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 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 4.89 -0.01 1.61 1.01 -1.05 -4.46 120.40 120.39 3kfk s VAL 488 Ca 0.00 -1.43 0.02 0.00 0.00 0.00 0.00 61.98 60.57 3kfk s VAL 488 Cb 0.00 -4.61 -0.00 0.00 0.00 0.00 0.00 36.38 31.76 3kfk s VAL 488 CO 0.00 -1.28 -0.07 0.68 0.00 0.00 0.00 175.10 174.43 3kfk s VAL 489 N 2.33 0.53 0.06 2.92 -7.23 -1.26 -2.30 120.40 115.45 3kfk s VAL 489 Ca 0.21 -0.28 0.05 0.00 -1.81 0.00 0.00 61.98 60.15 3kfk s VAL 489 Cb -0.14 -0.45 -0.03 0.00 0.56 0.00 0.00 36.38 36.33 3kfk s VAL 489 CO -0.02 0.15 -0.15 -1.83 -0.31 0.00 0.00 175.10 172.95 3kfk s GLU 490 N -0.13 0.89 0.74 4.82 -1.05 0.43 -4.50 118.70 119.90 3kfk s GLU 490 Ca 0.02 -0.89 -0.15 0.00 -0.15 0.00 0.00 54.97 53.80 3kfk s GLU 490 Cb -0.03 -0.92 0.04 0.00 -0.44 0.00 0.00 34.13 32.78 3kfk s GLU 490 CO -0.00 0.21 1.17 -2.30 0.95 0.00 0.00 175.26 175.29 3kfk n PRO 491 N 1.52 0.54 0.22 -4.83 -0.02 -1.26 0.65 135.00 131.82 3kfk n PRO 491 Ca -0.20 0.25 0.07 0.00 -2.02 0.00 0.00 63.50 61.60 3kfk n PRO 491 Cb 0.54 -2.41 0.52 0.00 -0.02 0.00 0.00 33.50 32.14 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 -0.32 0.00 -1.48 2.45 5.85 -1.84 -2.64 115.31 117.32 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 0.48 0.23 -0.21 -0.09 -0.34 0.00 0.00 178.44 178.51 3kfk h ARG 493 N 0.00 0.00 -0.25 1.25 2.43 -1.91 -0.28 114.38 115.63 3kfk h ARG 493 Ca -0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 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 0.21 -0.20 0.28 -1.51 0.00 0.00 179.97 178.78 3kfk h VAL 494 N 0.00 1.25 0.09 0.20 2.07 -1.78 -2.64 116.25 115.44 3kfk h VAL 494 Ca -0.00 -1.15 -0.36 0.00 0.82 0.00 0.00 66.70 66.00 3kfk h VAL 494 Cb 0.56 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 3kfk h VAL 494 CO 0.03 0.37 -2.05 0.29 0.02 0.00 0.00 177.57 176.22 3kfk n LYS 495 N -4.16 0.72 -0.10 1.57 4.76 -0.97 -3.77 118.16 116.22 3kfk n LYS 495 Ca -0.00 0.26 -0.12 0.00 -2.87 0.00 0.00 58.31 55.58 3kfk n LYS 495 Cb 0.37 -1.67 0.01 0.00 -1.84 0.00 0.00 35.03 31.89 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 1.28 -0.27 -0.18 1.35 -1.14 -2.64 112.91 111.27 3kfk h THR 496 Ca -0.45 -1.56 -0.12 0.00 -0.55 0.00 0.00 66.41 63.73 3kfk h THR 496 Cb 1.95 1.40 -0.00 0.00 -1.73 0.00 0.00 68.15 69.77 3kfk h THR 496 CO 0.02 0.52 -0.29 -0.61 -0.25 0.00 0.00 175.52 174.91 3kfk h GLN 497 N 0.71 0.67 -0.44 4.72 5.75 -1.69 -2.79 115.11 122.03 3kfk h GLN 497 Ca 0.06 -0.36 -0.03 0.00 -0.15 0.00 0.00 58.65 58.16 3kfk h GLN 497 Cb 0.96 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.50 3kfk h GLN 497 CO 0.09 0.97 0.13 0.00 -2.65 0.00 0.00 178.83 177.37 3kfk h ALA 498 N 0.69 1.41 -0.03 3.38 0.00 -1.64 0.27 119.26 123.33 3kfk h ALA 498 Ca 0.04 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 3kfk h ALA 498 Cb 0.86 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.47 3kfk h ALA 498 CO 0.07 0.44 -0.33 0.82 0.00 0.00 0.00 179.25 180.25 3kfk h ILE 499 N 0.63 1.48 -0.27 0.00 2.04 -1.52 -2.83 117.51 117.04 3kfk h ILE 499 Ca 0.15 -1.87 -0.10 0.00 1.00 0.00 0.00 64.86 64.04 3kfk h ILE 499 Cb 0.20 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 3kfk h ILE 499 CO -0.01 0.53 -0.25 -0.61 0.00 0.00 0.00 178.15 177.81 3kfk h GLN 500 N -0.31 0.52 -0.03 2.37 5.75 -1.32 0.81 115.11 122.89 3kfk h GLN 500 Ca -0.03 -0.20 -0.15 0.00 -0.15 0.00 0.00 58.65 58.12 3kfk h GLN 500 Cb 1.03 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.54 3kfk h GLN 500 CO 0.07 0.72 -0.67 0.66 -2.65 0.00 0.00 178.83 176.96 3kfk h SER 501 N 0.46 0.18 0.55 -0.69 4.64 -1.05 -2.62 113.55 115.01 3kfk h SER 501 Ca 0.07 -0.11 -0.29 0.00 -0.47 0.00 0.00 61.79 60.98 3kfk h SER 501 Cb 0.68 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3kfk h SER 501 CO 0.05 0.80 -1.37 0.00 -0.87 0.00 0.00 176.83 175.44 3kfk h ALA 502 N 1.20 0.16 -0.12 5.18 0.00 -1.26 -3.18 119.26 121.24 3kfk h ALA 502 Ca -0.01 -0.98 -0.04 0.00 0.00 0.00 0.00 54.91 53.88 3kfk h ALA 502 Cb 1.20 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 3kfk h ALA 502 CO 0.10 1.03 -0.07 0.00 0.00 0.00 0.00 179.25 180.31 3kfk h ALA 503 N 0.53 0.17 -0.08 0.00 0.00 -0.89 -2.21 119.26 116.79 3kfk h ALA 503 Ca -0.18 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 3kfk h ALA 503 Cb 2.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 3kfk h ALA 503 CO 0.19 -0.03 -0.21 0.93 0.00 0.00 0.00 179.25 180.13 3kfk h GLU 504 N -0.10 0.13 -0.05 0.00 5.08 -1.62 -1.20 114.58 116.83 3kfk h GLU 504 Ca 0.03 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 3kfk h GLU 504 Cb 0.55 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.79 3kfk h GLU 504 CO 0.02 0.35 -0.62 0.66 -1.00 0.00 0.00 179.01 178.42 3kfk h SER 505 N 0.12 0.62 0.49 1.42 4.64 -1.55 -3.04 113.55 116.26 3kfk h SER 505 Ca 0.02 -0.71 -0.12 0.00 -0.47 0.00 0.00 61.79 60.52 3kfk h SER 505 Cb 0.45 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 3kfk h SER 505 CO 0.03 1.24 -0.54 0.71 -0.87 0.00 0.00 176.83 177.40 3kfk h THR 506 N 0.06 1.39 -0.39 2.95 1.35 -1.26 -2.00 112.91 115.00 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 1.29 1.98 -0.02 0.00 -1.73 0.00 0.00 68.15 69.67 3kfk h THR 506 CO 0.12 0.54 -0.14 -0.33 -0.25 0.00 0.00 175.52 175.46 3kfk h GLU 507 N 0.05 0.71 -0.07 4.72 5.08 -1.30 -2.16 114.58 121.61 3kfk h GLU 507 Ca -0.00 -0.24 -0.22 0.00 -1.00 0.00 0.00 59.36 57.90 3kfk h GLU 507 Cb 0.98 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.17 3kfk h GLU 507 CO 0.07 0.82 -0.85 1.98 -1.00 0.00 0.00 179.01 180.03 3kfk h MET 508 N 0.64 0.57 0.00 2.33 4.05 -1.39 -3.27 114.93 117.85 3kfk h MET 508 Ca 0.11 -0.52 -0.09 0.00 -0.28 0.00 0.00 59.70 58.91 3kfk h MET 508 Cb 0.60 0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.51 3kfk h MET 508 CO 0.04 1.15 -0.44 -0.07 0.23 0.00 0.00 176.91 177.82 3kfk h LEU 509 N 0.36 0.00 -0.35 3.39 3.38 -1.29 -2.63 115.31 118.18 3kfk h LEU 509 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3kfk h LEU 509 Cb 1.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.22 3kfk h LEU 509 CO 0.16 0.44 0.00 0.18 0.09 0.00 0.00 178.44 179.31 3kfk n LEU 510 N -3.67 0.51 -0.87 1.67 4.77 -0.82 -3.45 117.00 115.14 3kfk n LEU 510 Ca -0.01 -0.23 0.07 0.00 -0.03 0.00 0.00 56.01 55.82 3kfk n LEU 510 Cb 0.52 -0.04 0.23 0.00 -2.33 0.00 0.00 43.42 41.80 3kfk n LEU 510 CO 0.38 0.11 0.69 0.54 -1.33 0.00 0.00 177.39 177.79 3kfk n ARG 511 N -0.38 3.02 -4.32 3.23 1.74 -0.99 -4.89 116.66 114.08 3kfk n ARG 511 Ca 0.11 -2.52 -0.34 0.00 -0.77 0.00 0.00 57.85 54.33 3kfk n ARG 511 Cb 0.13 -1.62 -0.13 0.00 -1.02 0.00 0.00 32.46 29.81 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 -1.98 3.53 0.00 0.55 1.01 -1.22 -4.96 121.20 118.13 3kfk s ILE 512 Ca 0.35 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.53 3kfk s ILE 512 Cb 0.25 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 40.16 3kfk s ILE 512 CO 0.13 0.47 0.00 -0.90 0.00 0.00 0.00 174.94 174.65 3kfk n ASP 513 N 3.98 0.55 -3.85 3.58 5.75 -1.26 -4.55 116.55 120.75 3kfk n ASP 513 Ca -0.18 -0.32 -0.16 0.00 -0.01 0.00 0.00 54.79 54.13 3kfk n ASP 513 Cb 0.52 0.75 -0.15 0.00 -1.03 0.00 0.00 41.12 41.20 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 -0.86 0.35 -0.15 -1.12 -1.08 -1.26 -2.89 116.67 109.66 3kfk s ASP 514 Ca 0.00 -0.03 0.02 0.00 -0.52 0.00 0.00 52.55 52.02 3kfk s ASP 514 Cb 0.00 -0.14 0.01 0.00 -1.46 0.00 0.00 42.92 41.33 3kfk s ASP 514 CO 0.00 -0.05 -0.21 -0.69 0.52 0.00 0.00 175.17 174.74 3kfk s VAL 515 N 0.60 2.11 -0.31 1.11 1.01 -1.26 -5.05 120.40 118.61 3kfk s VAL 515 Ca -0.06 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.93 3kfk s VAL 515 Cb -0.09 -1.86 0.04 0.00 0.00 0.00 0.00 36.38 34.47 3kfk s VAL 515 CO -0.01 0.54 0.05 -0.63 0.00 0.00 0.00 175.10 175.06 3kfk s ILE 516 N 0.96 3.46 -0.28 2.22 1.01 -1.26 -4.03 121.20 123.28 3kfk s ILE 516 Ca -0.03 -1.16 0.02 0.00 0.00 0.00 0.00 60.65 59.47 3kfk s ILE 516 Cb -0.15 -2.94 0.08 0.00 0.01 0.00 0.00 42.46 39.46 3kfk s ILE 516 CO -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 174.94 174.78 3kfk s ALA 517 N 1.36 2.25 0.78 9.38 0.00 -0.97 -5.03 121.76 129.52 3kfk s ALA 517 Ca -0.02 -1.79 -0.10 0.00 0.00 0.00 0.00 51.96 50.04 3kfk s ALA 517 Cb -0.19 -1.63 0.08 0.00 0.00 0.00 0.00 23.12 21.37 3kfk s ALA 517 CO 0.01 -1.40 1.13 0.00 0.00 0.00 0.00 175.76 175.50 3kfk s ALA 518 N 1.25 2.81 0.00 0.00 0.00 -1.26 -2.44 121.76 122.11 3kfk s ALA 518 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.21 3kfk s ALA 518 Cb -0.19 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.10 3kfk s ALA 518 CO -0.09 -1.57 0.00 -1.91 0.00 0.00 0.00 175.76 172.18