#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kpk s ALA 2 N 0.00 3.69 -0.41 3.04 0.00 -1.26 -4.71 121.76 122.11 3kpk s ALA 2 Ca 0.00 1.40 -0.16 0.00 0.00 0.00 0.00 51.96 53.20 3kpk s ALA 2 Cb 0.00 -3.59 0.02 0.00 0.00 0.00 0.00 23.12 19.55 3kpk s ALA 2 CO 0.00 -0.81 0.36 -1.58 0.00 0.00 0.00 175.76 173.73 3kpk s HIS 3 N 0.19 3.21 -0.25 0.00 2.46 -1.26 -2.65 115.29 116.99 3kpk s HIS 3 Ca 0.62 -0.45 -0.10 0.00 0.47 0.00 0.00 55.06 55.60 3kpk s HIS 3 Cb -0.44 -2.72 -0.05 0.00 -0.13 0.00 0.00 32.58 29.24 3kpk s HIS 3 CO 0.42 -0.62 0.16 0.08 -2.47 0.00 0.00 174.74 172.31 3kpk s VAL 4 N 1.90 5.26 -0.16 0.89 1.01 -0.21 -0.23 120.40 128.86 3kpk s VAL 4 Ca 0.08 0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.16 3kpk s VAL 4 Cb -0.18 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 3kpk s VAL 4 CO 0.12 0.33 0.00 -0.69 0.00 0.00 0.00 175.10 174.86 3kpk s VAL 5 N 1.22 4.25 -0.24 2.92 1.01 -0.06 -1.36 120.40 128.13 3kpk s VAL 5 Ca 0.07 -0.23 -0.09 0.00 0.00 0.00 0.00 61.98 61.73 3kpk s VAL 5 Cb -0.14 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 3kpk s VAL 5 CO 0.06 0.49 0.11 -0.63 0.00 0.00 0.00 175.10 175.13 3kpk s ILE 6 N 0.26 4.81 -0.42 2.22 1.09 0.29 -0.17 121.20 129.28 3kpk s ILE 6 Ca -0.00 -0.01 -0.15 0.00 -1.10 0.00 0.00 60.65 59.39 3kpk s ILE 6 Cb -0.13 -3.25 0.03 0.00 -1.06 0.00 0.00 42.46 38.05 3kpk s ILE 6 CO 0.02 0.34 0.32 -0.22 -0.10 0.00 0.00 174.94 175.30 3kpk s LEU 7 N 1.34 5.23 0.00 2.97 0.20 -0.20 -0.95 118.68 127.27 3kpk s LEU 7 Ca 0.06 -1.00 0.00 0.00 0.69 0.00 0.00 54.13 53.87 3kpk s LEU 7 Cb -0.15 -2.16 0.00 0.00 -0.43 0.00 0.00 46.19 43.45 3kpk s LEU 7 CO 0.05 -0.50 0.00 0.61 -0.29 0.00 0.00 176.35 176.23 3kpk n GLY 8 N 5.17 2.31 2.72 7.98 0.00 0.19 -0.51 105.19 123.05 3kpk n GLY 8 Ca -0.11 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.33 3kpk n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kpk n ALA 9 N 1.86 4.82 -2.88 4.61 0.00 -1.26 -4.01 120.51 123.66 3kpk n ALA 9 Ca 0.00 -4.76 0.00 0.00 0.00 0.00 0.00 53.44 48.68 3kpk n ALA 9 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 17.91 3kpk n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kpk n GLY 10 N 0.71 4.66 0.24 0.00 0.00 -1.26 -4.59 105.19 104.95 3kpk n GLY 10 Ca 0.31 -1.81 -0.03 0.00 0.00 0.00 0.00 46.02 44.49 3kpk n GLY 10 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kpk h THR 11 N 0.00 1.00 0.16 2.61 2.02 -1.93 -1.76 112.91 115.01 3kpk h THR 11 Ca 0.00 -0.23 -0.31 0.00 0.77 0.00 0.00 66.41 66.64 3kpk h THR 11 Cb 0.00 0.28 0.01 0.00 -1.74 0.00 0.00 68.15 66.70 3kpk h THR 11 CO 0.00 0.12 -1.54 1.23 0.37 0.00 0.00 175.52 175.70 3kpk h GLY 12 N 0.66 0.40 1.05 2.16 0.00 -1.92 -3.39 103.07 102.03 3kpk h GLY 12 Ca 0.26 -1.01 -0.09 0.00 0.00 0.00 0.00 47.33 46.49 3kpk h GLY 12 CO -0.15 0.89 -0.01 -1.33 0.00 0.00 0.00 176.54 175.93 3kpk h GLY 13 N 0.33 1.04 0.89 4.60 0.00 -1.67 -1.15 103.07 107.11 3kpk h GLY 13 Ca -0.31 -0.78 -0.02 0.00 0.00 0.00 0.00 47.33 46.22 3kpk h GLY 13 CO 0.14 0.72 -0.18 -0.33 0.00 0.00 0.00 176.54 176.89 3kpk h MET 14 N 0.84 -0.48 -0.46 4.80 2.86 -1.49 -0.99 114.93 120.01 3kpk h MET 14 Ca 0.15 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 3kpk h MET 14 Cb 0.56 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 3kpk h MET 14 CO 0.03 -0.25 0.30 -1.35 1.06 0.00 0.00 176.91 176.70 3kpk h PRO 15 N -0.62 0.61 -0.82 -0.22 0.11 -1.75 -2.35 132.00 126.96 3kpk h PRO 15 Ca -0.05 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.04 3kpk h PRO 15 Cb 0.45 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 31.38 3kpk h PRO 15 CO 0.08 0.41 0.53 0.00 -0.21 0.00 0.00 178.00 178.82 3kpk h ALA 16 N 1.70 1.07 0.16 -0.75 0.00 -0.76 0.13 119.26 120.80 3kpk h ALA 16 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kpk h ALA 16 Cb -0.06 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.43 3kpk h ALA 16 CO -0.04 0.38 -0.08 0.00 0.00 0.00 0.00 179.25 179.52 3kpk h ALA 17 N 1.33 -0.22 -0.18 0.00 0.00 -0.64 0.31 119.26 119.86 3kpk h ALA 17 Ca 0.32 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.18 3kpk h ALA 17 Cb -0.04 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3kpk h ALA 17 CO -0.10 -0.61 0.07 1.88 0.00 0.00 0.00 179.25 180.49 3kpk h TYR 18 N -0.24 0.12 -0.67 0.00 0.05 -1.36 -0.56 116.97 114.32 3kpk h TYR 18 Ca -0.02 0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.70 3kpk h TYR 18 Cb 0.19 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 37.87 3kpk h TYR 18 CO -0.06 0.07 0.17 0.93 -1.05 0.00 0.00 178.16 178.22 3kpk h GLU 19 N 0.16 1.05 0.48 4.88 5.08 -0.57 -0.47 114.58 125.19 3kpk h GLU 19 Ca 0.07 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 3kpk h GLU 19 Cb 0.04 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3kpk h GLU 19 CO -0.07 0.92 -0.23 1.98 -1.00 0.00 0.00 179.01 180.62 3kpk h MET 20 N 1.00 -0.62 -0.58 2.33 4.05 -0.12 -1.55 114.93 119.45 3kpk h MET 20 Ca 0.21 0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.69 3kpk h MET 20 Cb 0.34 0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.25 3kpk h MET 20 CO -0.00 -0.41 0.37 -0.22 0.23 0.00 0.00 176.91 176.88 3kpk h LYS 21 N -0.64 0.73 -0.78 0.39 1.63 -0.84 -0.99 116.57 116.07 3kpk h LYS 21 Ca -0.07 -0.04 0.06 0.00 -0.85 0.00 0.00 60.65 59.75 3kpk h LYS 21 Cb 0.49 -0.16 -0.05 0.00 -0.60 0.00 0.00 32.23 31.91 3kpk h LYS 21 CO 0.11 0.48 0.51 1.49 -3.45 0.00 0.00 179.45 178.59 3kpk h GLU 22 N 0.75 0.84 0.08 1.90 4.57 -1.01 0.27 114.58 121.98 3kpk h GLU 22 Ca 0.22 -0.05 -0.27 0.00 -1.18 0.00 0.00 59.36 58.08 3kpk h GLU 22 Cb -0.05 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.34 3kpk h GLU 22 CO -0.06 0.55 -1.29 0.00 -1.18 0.00 0.00 179.01 177.03 3kpk h ALA 23 N 1.57 0.27 0.11 2.92 0.00 -0.58 -3.36 119.26 120.19 3kpk h ALA 23 Ca 0.33 -1.00 -0.34 0.00 0.00 0.00 0.00 54.91 53.91 3kpk h ALA 23 Cb 0.20 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3kpk h ALA 23 CO -0.11 1.14 -1.81 -0.07 0.00 0.00 0.00 179.25 178.41 3kpk h LEU 24 N 0.05 0.36 0.00 0.00 4.07 -0.96 -3.51 115.31 115.31 3kpk h LEU 24 Ca -0.14 -0.68 0.00 0.00 0.08 0.00 0.00 57.88 57.14 3kpk h LEU 24 Cb 1.93 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 43.56 3kpk h LEU 24 CO 0.16 1.59 0.00 0.61 -1.08 0.00 0.00 178.44 179.72 3kpk n GLY 25 N 1.82 -1.58 0.19 0.83 0.00 0.95 -4.40 105.19 103.00 3kpk n GLY 25 Ca -0.25 -1.32 0.14 0.00 0.00 0.00 0.00 46.02 44.59 3kpk n GLY 25 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kpk h SER 26 N 0.00 0.00 -0.00 1.61 4.64 -1.97 -3.18 113.55 114.65 3kpk h SER 26 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kpk h SER 26 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kpk h SER 26 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3kpk n GLY 27 N 0.67 -0.84 3.06 -0.77 0.00 -1.26 -4.80 105.19 101.25 3kpk n GLY 27 Ca 0.03 -0.24 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 3kpk n GLY 27 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kpk s HIS 28 N -2.00 0.90 -0.17 1.61 4.02 -1.20 -1.27 115.29 117.18 3kpk s HIS 28 Ca 0.46 -0.24 -0.21 0.00 1.02 0.00 0.00 55.06 56.09 3kpk s HIS 28 Cb 0.22 -0.56 -0.03 0.00 -1.02 0.00 0.00 32.58 31.19 3kpk s HIS 28 CO 0.36 -0.01 0.62 -2.00 1.02 0.00 0.00 174.74 174.73 3kpk s GLU 29 N -0.57 4.26 -0.18 1.40 2.12 -1.08 -4.83 118.70 119.82 3kpk s GLU 29 Ca 0.02 0.63 -0.02 0.00 0.36 0.00 0.00 54.97 55.96 3kpk s GLU 29 Cb -0.05 -3.54 -0.01 0.00 0.26 0.00 0.00 34.13 30.79 3kpk s GLU 29 CO 0.00 -0.14 -0.09 0.08 -0.54 0.00 0.00 175.26 174.57 3kpk s VAL 30 N 1.56 3.11 -0.11 3.70 1.01 -1.26 -1.05 120.40 127.37 3kpk s VAL 30 Ca 0.30 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.70 3kpk s VAL 30 Cb -0.16 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 33.86 3kpk s VAL 30 CO 0.11 0.47 -0.20 -0.89 0.00 0.00 0.00 175.10 174.59 3kpk s THR 31 N 1.07 1.85 -0.23 3.92 2.01 -0.46 -1.33 115.64 122.46 3kpk s THR 31 Ca 0.00 -0.88 -0.08 0.00 0.31 0.00 0.00 61.69 61.04 3kpk s THR 31 Cb -0.15 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 3kpk s THR 31 CO -0.02 0.51 0.09 -0.22 -0.69 0.00 0.00 174.62 174.30 3kpk s LEU 32 N 0.62 3.72 -0.13 4.42 2.96 0.20 -0.55 118.68 129.92 3kpk s LEU 32 Ca -0.13 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 3kpk s LEU 32 Cb -0.17 -1.98 -0.00 0.00 0.50 0.00 0.00 46.19 44.54 3kpk s LEU 32 CO 0.04 0.04 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.28 3kpk s ILE 33 N 1.18 2.36 0.01 6.68 1.01 -0.12 -0.97 121.20 131.34 3kpk s ILE 33 Ca 0.05 -0.89 -0.12 0.00 0.00 0.00 0.00 60.65 59.69 3kpk s ILE 33 Cb -0.14 -1.95 0.01 0.00 0.01 0.00 0.00 42.46 40.39 3kpk s ILE 33 CO 0.04 0.54 0.25 -0.55 0.00 0.00 0.00 174.94 175.23 3kpk s SER 34 N 0.58 -0.10 0.54 3.58 0.15 -0.72 0.57 113.70 118.30 3kpk s SER 34 Ca -0.11 -0.10 0.31 0.00 0.70 0.00 0.00 55.95 56.75 3kpk s SER 34 Cb -0.16 0.29 1.55 0.00 -1.71 0.00 0.00 66.02 65.98 3kpk s SER 34 CO 0.03 -0.48 2.08 0.00 1.20 0.00 0.00 173.24 176.08 3kpk h ALA 35 N 3.77 1.15 -2.98 5.45 0.00 -1.87 0.25 119.26 125.03 3kpk h ALA 35 Ca -0.31 -0.08 -0.61 0.00 0.00 0.00 0.00 54.91 53.91 3kpk h ALA 35 Cb 1.19 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.78 3kpk h ALA 35 CO 0.42 0.11 -0.80 -0.80 0.00 0.00 0.00 179.25 178.18 3kpk s ASN 36 N -5.90 3.24 0.00 0.00 0.02 -1.26 -4.55 114.94 106.49 3kpk s ASN 36 Ca -0.02 -0.89 0.22 0.00 -1.02 0.00 0.00 52.86 51.15 3kpk s ASN 36 Cb 0.12 -0.23 0.79 0.00 0.02 0.00 0.00 41.25 41.95 3kpk s ASN 36 CO 0.55 0.07 1.58 -0.90 0.02 0.00 0.00 177.10 178.41 3kpk n ASP 37 N 0.15 1.63 -4.19 -1.22 5.68 -1.26 -4.83 116.55 112.51 3kpk n ASP 37 Ca -0.12 -1.68 -0.18 0.00 -0.50 0.00 0.00 54.79 52.32 3kpk n ASP 37 Cb 0.57 -0.09 -0.12 0.00 -1.14 0.00 0.00 41.12 40.34 3kpk n ASP 37 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 3kpk s TYR 38 N -1.82 1.27 0.14 2.11 -0.85 -1.26 -1.07 117.35 115.87 3kpk s TYR 38 Ca 0.33 -0.50 -0.11 0.00 -0.52 0.00 0.00 57.07 56.26 3kpk s TYR 38 Cb 0.18 -0.70 -0.07 0.00 0.38 0.00 0.00 41.96 41.76 3kpk s TYR 38 CO 0.27 0.08 0.49 0.12 -1.52 0.00 0.00 175.55 175.00 3kpk s PHE 39 N -1.63 3.55 0.01 -3.49 5.36 0.06 -4.87 117.98 116.97 3kpk s PHE 39 Ca 0.02 0.90 0.03 0.00 -0.96 0.00 0.00 56.93 56.93 3kpk s PHE 39 Cb -0.08 -2.26 -0.01 0.00 -0.34 0.00 0.00 43.02 40.33 3kpk s PHE 39 CO 0.02 0.42 -0.10 1.14 -1.46 0.00 0.00 175.22 175.24 3kpk s GLN 40 N -2.18 0.72 -0.76 10.12 -2.07 -1.26 -1.57 119.66 122.66 3kpk s GLN 40 Ca 0.39 -0.50 -0.19 0.00 -1.82 0.00 0.00 55.36 53.23 3kpk s GLN 40 Cb -0.14 -0.67 0.12 0.00 -1.09 0.00 0.00 33.01 31.23 3kpk s GLN 40 CO 0.20 0.17 0.94 0.12 -1.32 0.00 0.00 175.29 175.40 3kpk s PHE 41 N -0.57 3.02 0.25 9.60 5.36 -0.07 -4.82 117.98 130.75 3kpk s PHE 41 Ca 0.01 -1.11 -0.03 0.00 -0.96 0.00 0.00 56.93 54.85 3kpk s PHE 41 Cb -0.06 -4.18 0.46 0.00 -0.34 0.00 0.00 43.02 38.91 3kpk s PHE 41 CO 0.00 -1.44 1.79 0.28 -1.46 0.00 0.00 175.22 174.40 3kpk h VAL 42 N 5.81 0.84 0.00 3.12 2.07 -1.93 -1.22 116.25 124.93 3kpk h VAL 42 Ca -0.09 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3kpk h VAL 42 Cb 1.05 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3kpk h VAL 42 CO 1.10 0.14 0.00 -2.65 0.02 0.00 0.00 177.57 176.17 3kpk n PRO 43 N -4.78 0.12 0.00 1.57 -0.02 -1.26 -0.61 135.00 130.02 3kpk n PRO 43 Ca 0.15 0.62 0.13 0.00 -2.02 0.00 0.00 63.50 62.39 3kpk n PRO 43 Cb 0.34 -1.91 0.46 0.00 -0.02 0.00 0.00 33.50 32.38 3kpk n PRO 43 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3kpk n SER 44 N -2.17 0.97 -0.25 2.55 7.64 -0.46 -4.37 113.62 117.53 3kpk n SER 44 Ca -0.01 -0.93 -0.06 0.00 1.01 0.00 0.00 58.87 58.88 3kpk n SER 44 Cb 0.03 0.07 0.05 0.00 -1.01 0.00 0.00 64.21 63.34 3kpk n SER 44 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 3kpk h ASN 45 N 1.24 0.89 -0.73 6.43 2.35 -0.99 -2.26 115.58 122.52 3kpk h ASN 45 Ca 0.00 -0.13 0.08 0.00 -0.55 0.00 0.00 56.30 55.70 3kpk h ASN 45 Cb 0.47 -0.23 -0.07 0.00 0.05 0.00 0.00 38.32 38.54 3kpk h ASN 45 CO 0.00 0.77 0.39 -0.65 -1.65 0.00 0.00 177.43 176.29 3kpk h PRO 46 N 0.95 0.66 -0.66 0.81 0.11 -1.76 0.05 132.00 132.15 3kpk h PRO 46 Ca 0.24 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.27 3kpk h PRO 46 Cb 0.11 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.05 3kpk h PRO 46 CO -0.03 0.43 0.25 -1.49 -0.21 0.00 0.00 178.00 176.95 3kpk h TRP 47 N 0.68 0.99 -0.94 0.65 4.06 -1.77 -0.69 115.95 118.92 3kpk h TRP 47 Ca 0.35 -0.07 0.04 0.00 2.06 0.00 0.00 58.89 61.27 3kpk h TRP 47 Cb 0.31 -0.30 -0.05 0.00 -1.00 0.00 0.00 29.16 28.12 3kpk h TRP 47 CO -0.09 0.76 0.62 0.28 -3.56 0.00 0.00 178.44 176.46 3kpk h VAL 48 N 0.95 1.16 0.00 1.49 2.07 -0.73 0.02 116.25 121.22 3kpk h VAL 48 Ca 0.22 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3kpk h VAL 48 Cb 0.21 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 3kpk h VAL 48 CO -0.02 0.22 0.00 1.23 0.02 0.00 0.00 177.57 179.02 3kpk h GLY 49 N 1.18 0.00 -0.48 2.17 0.00 0.54 -1.30 103.07 105.19 3kpk h GLY 49 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 3kpk h GLY 49 CO -0.12 0.00 0.00 1.55 0.00 0.00 0.00 176.54 177.97 3kpk n VAL 50 N -2.67 0.39 -1.00 4.60 3.14 -0.85 -3.17 118.33 118.76 3kpk n VAL 50 Ca -0.01 -0.70 -0.00 0.00 -2.96 0.00 0.00 64.34 60.68 3kpk n VAL 50 Cb 0.15 0.87 -0.00 0.00 -1.06 0.00 0.00 33.84 33.80 3kpk n VAL 50 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kpk n GLY 51 N 0.16 0.40 0.00 7.55 0.00 -0.49 -4.91 105.19 107.91 3kpk n GLY 51 Ca 0.04 -0.97 0.12 0.00 0.00 0.00 0.00 46.02 45.21 3kpk n GLY 51 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3kpk n TRP 52 N -2.99 0.00 -4.00 1.61 7.02 -0.11 -4.89 117.44 114.08 3kpk n TRP 52 Ca -0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 3kpk n TRP 52 Cb 0.01 -0.30 -0.10 0.00 -2.42 0.00 0.00 31.31 28.50 3kpk n TRP 52 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 3kpk s LYS 53 N -2.99 0.56 0.17 -0.99 -0.14 -1.16 -4.91 119.74 110.28 3kpk s LYS 53 Ca 0.12 -0.94 0.08 0.00 -1.36 0.00 0.00 55.97 53.87 3kpk s LYS 53 Cb 0.18 0.20 -0.04 0.00 -1.68 0.00 0.00 37.83 36.49 3kpk s LYS 53 CO 0.66 -0.12 -0.06 -1.21 -0.76 0.00 0.00 175.35 173.86 3kpk s GLU 54 N -3.02 2.18 0.26 1.68 0.41 -1.26 -4.33 118.70 114.62 3kpk s GLU 54 Ca -0.01 -1.20 -0.03 0.00 -0.41 0.00 0.00 54.97 53.32 3kpk s GLU 54 Cb 0.01 -2.24 0.54 0.00 -1.78 0.00 0.00 34.13 30.66 3kpk s GLU 54 CO -0.07 0.45 1.69 -0.09 -0.49 0.00 0.00 175.26 176.75 3kpk h ARG 55 N 2.87 0.30 -0.01 1.61 2.43 -1.96 0.47 114.38 120.08 3kpk h ARG 55 Ca -0.47 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3kpk h ARG 55 Cb 1.20 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3kpk h ARG 55 CO 0.55 0.20 0.02 -0.44 -1.51 0.00 0.00 179.97 178.79 3kpk h ASP 56 N 0.31 0.00 1.51 -3.80 3.32 -1.95 -0.53 116.42 115.27 3kpk h ASP 56 Ca 0.46 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.44 3kpk h ASP 56 Cb 0.80 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 3kpk h ASP 56 CO -0.52 0.00 -0.50 0.44 -1.72 0.00 0.00 179.24 176.93 3kpk h ASP 57 N 0.00 0.00 0.00 6.45 3.32 -1.30 -3.39 116.42 121.50 3kpk h ASP 57 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kpk h ASP 57 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3kpk h ASP 57 CO -0.00 0.29 0.00 2.30 -1.72 0.00 0.00 179.24 180.11 3kpk n ILE 58 N -3.08 0.36 -3.97 0.35 -5.35 -0.36 -5.03 119.36 102.27 3kpk n ILE 58 Ca 0.01 -0.49 -0.09 0.00 -0.27 0.00 0.00 62.75 61.91 3kpk n ILE 58 Cb 0.66 0.98 -0.10 0.00 -1.74 0.00 0.00 39.64 39.44 3kpk n ILE 58 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kpk s ALA 59 N -0.36 0.09 0.03 -1.28 0.00 -0.35 -0.90 121.76 118.99 3kpk s ALA 59 Ca 0.00 -0.62 -0.27 0.00 0.00 0.00 0.00 51.96 51.07 3kpk s ALA 59 Cb 0.00 0.18 0.08 0.00 0.00 0.00 0.00 23.12 23.38 3kpk s ALA 59 CO 0.00 -0.23 0.72 -0.59 0.00 0.00 0.00 175.76 175.66 3kpk s PHE 60 N -2.05 -0.53 0.30 0.00 -0.71 -0.61 -4.71 117.98 109.67 3kpk s PHE 60 Ca -0.10 0.61 -0.29 0.00 -1.04 0.00 0.00 56.93 56.11 3kpk s PHE 60 Cb -0.05 0.49 -0.10 0.00 -1.21 0.00 0.00 43.02 42.15 3kpk s PHE 60 CO -0.03 -0.66 1.43 -2.14 -1.34 0.00 0.00 175.22 172.48 3kpk s PRO 61 N -2.49 4.24 -0.05 1.99 0.02 -1.26 -0.76 135.00 136.70 3kpk s PRO 61 Ca -0.03 2.36 -0.15 0.00 0.02 0.00 0.00 61.00 63.21 3kpk s PRO 61 Cb -0.01 -3.06 -0.31 0.00 0.02 0.00 0.00 34.50 31.15 3kpk s PRO 61 CO -0.03 -0.40 0.72 0.82 -0.33 0.00 0.00 177.00 177.78 3kpk h ILE 62 N 3.25 1.09 -0.59 2.83 2.04 -1.44 -3.43 117.51 121.27 3kpk h ILE 62 Ca -0.48 -2.52 0.06 0.00 1.00 0.00 0.00 64.86 62.92 3kpk h ILE 62 Cb 1.22 2.85 -0.09 0.00 -0.74 0.00 0.00 36.82 40.07 3kpk h ILE 62 CO 0.71 0.79 -0.52 -0.09 0.00 0.00 0.00 178.15 179.04 3kpk h ARG 63 N -0.06 -0.21 -1.00 2.37 2.43 -1.93 -1.93 114.38 114.04 3kpk h ARG 63 Ca -0.29 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 58.96 3kpk h ARG 63 Cb 1.96 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 31.49 3kpk h ARG 63 CO 0.16 -0.14 0.65 1.25 -1.51 0.00 0.00 179.97 180.38 3kpk h HIS 64 N -0.22 1.20 -0.27 2.20 2.76 -1.98 -0.03 115.15 118.82 3kpk h HIS 64 Ca 0.10 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.16 3kpk h HIS 64 Cb 0.47 -0.39 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 3kpk h HIS 64 CO -0.84 0.62 -0.39 1.88 -1.30 0.00 0.00 177.93 177.90 3kpk h TYR 65 N 1.17 0.75 0.13 5.26 0.05 -1.62 -2.31 116.97 120.40 3kpk h TYR 65 Ca 0.43 -0.21 -0.32 0.00 0.05 0.00 0.00 58.73 58.68 3kpk h TYR 65 Cb 0.17 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 3kpk h TYR 65 CO -0.00 0.92 -1.64 -0.39 -1.05 0.00 0.00 178.16 176.00 3kpk h VAL 66 N 0.52 1.04 -0.41 -2.88 -1.51 -1.32 -3.35 116.25 108.33 3kpk h VAL 66 Ca 0.05 -2.67 -0.05 0.00 -1.23 0.00 0.00 66.70 62.79 3kpk h VAL 66 Cb 0.90 2.73 -0.02 0.00 -2.13 0.00 0.00 31.29 32.77 3kpk h VAL 66 CO 0.08 0.82 0.04 -0.33 -1.23 0.00 0.00 177.57 176.95 3kpk h GLU 67 N 0.08 0.64 0.00 5.19 5.08 -1.01 -0.10 114.58 124.46 3kpk h GLU 67 Ca -0.29 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3kpk h GLU 67 Cb 2.04 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.20 3kpk h GLU 67 CO 0.16 0.63 0.00 2.89 -1.00 0.00 0.00 179.01 181.69 3kpk n ARG 68 N -4.27 0.11 -0.21 2.33 1.85 -0.87 -1.00 116.66 114.59 3kpk n ARG 68 Ca 0.02 0.19 0.09 0.00 -1.00 0.00 0.00 57.85 57.16 3kpk n ARG 68 Cb 0.24 -1.50 0.20 0.00 -1.05 0.00 0.00 32.46 30.35 3kpk n ARG 68 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3kpk n LYS 69 N -1.40 2.43 -1.01 2.89 3.00 -0.15 -4.95 118.16 118.98 3kpk n LYS 69 Ca 0.05 -2.18 -0.00 0.00 -0.00 0.00 0.00 58.31 56.18 3kpk n LYS 69 Cb 0.15 -1.42 -0.00 0.00 0.00 0.00 0.00 35.03 33.76 3kpk n LYS 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kpk n GLY 70 N 1.16 0.47 3.76 3.14 0.00 -0.17 -4.96 105.19 108.59 3kpk n GLY 70 Ca 0.17 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 3kpk n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kpk s ILE 71 N -1.98 5.13 0.15 -0.61 1.01 -0.61 -4.68 121.20 119.62 3kpk s ILE 71 Ca 0.00 0.87 -0.26 0.00 0.00 0.00 0.00 60.65 61.27 3kpk s ILE 71 Cb 0.00 -3.76 -0.08 0.00 0.01 0.00 0.00 42.46 38.63 3kpk s ILE 71 CO 0.00 0.42 0.79 -1.00 0.00 0.00 0.00 174.94 175.15 3kpk s HIS 72 N -0.01 3.89 -0.13 3.97 3.76 -0.44 -3.36 115.29 122.96 3kpk s HIS 72 Ca 0.24 1.63 0.01 0.00 -0.15 0.00 0.00 55.06 56.79 3kpk s HIS 72 Cb -0.15 -2.79 0.02 0.00 1.11 0.00 0.00 32.58 30.76 3kpk s HIS 72 CO 0.11 0.47 -0.16 0.12 -0.85 0.00 0.00 174.74 174.43 3kpk s PHE 73 N -0.96 2.19 -0.32 1.40 5.36 -1.26 0.61 117.98 125.00 3kpk s PHE 73 Ca 0.37 -1.14 -0.03 0.00 -0.96 0.00 0.00 56.93 55.17 3kpk s PHE 73 Cb -0.23 -1.57 0.06 0.00 -0.34 0.00 0.00 43.02 40.93 3kpk s PHE 73 CO 0.26 -0.59 0.05 0.42 -1.46 0.00 0.00 175.22 173.90 3kpk s ILE 74 N 1.18 3.18 -1.35 3.12 1.01 -0.14 -4.99 121.20 123.20 3kpk s ILE 74 Ca -0.01 -1.43 -0.13 0.00 0.00 0.00 0.00 60.65 59.08 3kpk s ILE 74 Cb -0.14 -2.87 0.10 0.00 0.01 0.00 0.00 42.46 39.56 3kpk s ILE 74 CO -0.06 -0.20 1.95 0.00 0.00 0.00 0.00 174.94 176.63 3kpk n ALA 75 N 4.65 4.96 -3.15 9.38 0.00 -1.26 -1.76 120.51 133.33 3kpk n ALA 75 Ca -0.12 -4.05 -0.13 0.00 0.00 0.00 0.00 53.44 49.15 3kpk n ALA 75 Cb 0.43 -3.33 -0.11 0.00 0.00 0.00 0.00 19.45 16.44 3kpk n ALA 75 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3kpk s GLN 76 N 2.36 0.30 0.16 0.00 2.00 0.87 -4.84 119.66 120.51 3kpk s GLN 76 Ca 0.46 0.36 -0.30 0.00 -2.00 0.00 0.00 55.36 53.88 3kpk s GLN 76 Cb 0.09 0.14 -0.07 0.00 0.80 0.00 0.00 33.01 33.97 3kpk s GLN 76 CO -0.02 -0.04 1.12 0.45 -0.50 0.00 0.00 175.29 176.30 3kpk s SER 77 N 0.15 7.23 0.12 6.67 0.15 -1.26 -3.66 113.70 123.10 3kpk s SER 77 Ca -0.00 2.08 -0.30 0.00 0.70 0.00 0.00 55.95 58.43 3kpk s SER 77 Cb -0.02 -2.60 -0.06 0.00 -1.71 0.00 0.00 66.02 61.63 3kpk s SER 77 CO 0.00 -0.26 1.04 0.00 1.20 0.00 0.00 173.24 175.22 3kpk s ALA 78 N -0.05 3.30 -0.11 5.45 0.00 -1.26 -0.25 121.76 128.83 3kpk s ALA 78 Ca 0.51 0.69 0.07 0.00 0.00 0.00 0.00 51.96 53.22 3kpk s ALA 78 Cb -0.29 -3.33 -0.12 0.00 0.00 0.00 0.00 23.12 19.38 3kpk s ALA 78 CO 0.34 -0.15 -0.01 0.39 0.00 0.00 0.00 175.76 176.34 3kpk n GLU 79 N 2.84 1.74 -3.82 0.00 -0.58 0.70 -4.67 120.64 116.85 3kpk n GLU 79 Ca 0.03 0.02 -0.13 0.00 -0.42 0.00 0.00 57.16 56.67 3kpk n GLU 79 Cb 0.48 -1.27 -0.13 0.00 -0.57 0.00 0.00 31.44 29.95 3kpk n GLU 79 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3kpk s GLN 80 N -2.26 0.12 -0.18 3.49 0.74 -1.04 -4.39 119.66 116.15 3kpk s GLN 80 Ca -0.09 0.19 0.01 0.00 0.05 0.00 0.00 55.36 55.52 3kpk s GLN 80 Cb 0.04 0.02 0.02 0.00 1.10 0.00 0.00 33.01 34.19 3kpk s GLN 80 CO 0.40 -0.04 -0.17 0.42 -0.55 0.00 0.00 175.29 175.34 3kpk s ILE 81 N 0.25 1.91 -0.51 -2.34 1.01 -1.26 -0.27 121.20 120.00 3kpk s ILE 81 Ca -0.02 -0.91 -0.16 0.00 0.00 0.00 0.00 60.65 59.56 3kpk s ILE 81 Cb -0.03 -1.78 0.10 0.00 0.01 0.00 0.00 42.46 40.76 3kpk s ILE 81 CO -0.01 0.46 0.48 -0.62 0.00 0.00 0.00 174.94 175.25 3kpk s ASP 82 N 1.34 6.17 0.48 3.58 -1.08 0.43 -4.75 116.67 122.84 3kpk s ASP 82 Ca 0.04 -1.47 0.27 0.00 -0.52 0.00 0.00 52.55 50.87 3kpk s ASP 82 Cb -0.14 -2.21 0.89 0.00 -1.46 0.00 0.00 42.92 40.00 3kpk s ASP 82 CO -0.12 -0.79 1.81 0.00 0.52 0.00 0.00 175.17 176.59 3kpk h ALA 83 N 8.87 0.98 0.13 3.66 0.00 -1.96 0.49 119.26 131.43 3kpk h ALA 83 Ca -0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3kpk h ALA 83 Cb 1.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3kpk h ALA 83 CO 0.97 0.11 -0.06 0.93 0.00 0.00 0.00 179.25 181.19 3kpk h GLU 84 N 0.00 -0.17 0.00 0.00 4.39 -1.96 -3.30 114.58 113.54 3kpk h GLU 84 Ca -0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3kpk h GLU 84 Cb 0.76 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 3kpk h GLU 84 CO 0.01 0.16 0.00 0.00 -1.16 0.00 0.00 179.01 178.02 3kpk h ALA 85 N -0.63 1.00 -4.38 3.43 0.00 -1.99 -3.47 119.26 113.22 3kpk h ALA 85 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.62 3kpk h ALA 85 Cb 0.42 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.31 3kpk h ALA 85 CO 0.03 0.00 -0.48 1.04 0.00 0.00 0.00 179.25 179.84 3kpk n GLN 86 N -2.89 -5.36 -5.15 0.00 6.02 0.16 -4.89 117.38 105.27 3kpk n GLN 86 Ca 0.02 0.58 -0.32 0.00 -0.01 0.00 0.00 57.00 57.27 3kpk n GLN 86 Cb 0.36 -4.84 -0.15 0.00 1.02 0.00 0.00 30.24 26.63 3kpk n GLN 86 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3kpk s ASN 87 N -3.35 3.37 -0.18 1.08 0.01 -0.77 -1.53 114.94 113.57 3kpk s ASN 87 Ca 0.34 -0.40 -0.05 0.00 -0.71 0.00 0.00 52.86 52.03 3kpk s ASN 87 Cb -0.15 -0.71 -0.03 0.00 0.41 0.00 0.00 41.25 40.77 3kpk s ASN 87 CO 0.50 0.29 0.00 -0.63 -1.51 0.00 0.00 177.10 175.76 3kpk s ILE 88 N -0.44 4.12 -0.22 0.60 1.01 0.57 -0.43 121.20 126.42 3kpk s ILE 88 Ca 0.05 -0.26 -0.15 0.00 0.00 0.00 0.00 60.65 60.28 3kpk s ILE 88 Cb -0.12 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 3kpk s ILE 88 CO 0.01 0.45 0.36 -0.89 0.00 0.00 0.00 174.94 174.88 3kpk s THR 89 N 0.69 5.22 0.60 2.92 2.01 0.63 0.15 115.64 127.86 3kpk s THR 89 Ca 0.00 0.62 -0.04 0.00 0.31 0.00 0.00 61.69 62.58 3kpk s THR 89 Cb -0.14 -3.69 0.03 0.00 0.01 0.00 0.00 72.50 68.70 3kpk s THR 89 CO 0.02 0.25 0.88 -0.76 -0.69 0.00 0.00 174.62 174.33 3kpk s LEU 90 N 1.39 3.17 0.28 4.42 1.43 0.29 -0.22 118.68 129.44 3kpk s LEU 90 Ca 0.17 0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.76 3kpk s LEU 90 Cb -0.15 -3.27 0.62 0.00 0.03 0.00 0.00 46.19 43.43 3kpk s LEU 90 CO 0.08 -1.18 1.78 0.00 0.23 0.00 0.00 176.35 177.25 3kpk h ALA 91 N -0.19 1.47 -0.12 4.21 0.00 -0.94 -0.46 119.26 123.23 3kpk h ALA 91 Ca -0.45 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3kpk h ALA 91 Cb 1.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3kpk h ALA 91 CO 0.59 -0.03 0.00 -0.40 0.00 0.00 0.00 179.25 179.41 3kpk n ASP 92 N -4.80 0.70 0.00 0.00 5.68 -1.26 -4.89 116.55 111.99 3kpk n ASP 92 Ca 0.20 -1.92 0.00 0.00 -0.50 0.00 0.00 54.79 52.57 3kpk n ASP 92 Cb 0.48 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 3kpk n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kpk n GLY 93 N 0.75 2.74 3.73 6.12 0.00 -0.18 -5.03 105.19 113.31 3kpk n GLY 93 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3kpk n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kpk s ASN 94 N -1.68 4.23 0.06 1.61 -0.87 -1.26 -4.69 114.94 112.34 3kpk s ASN 94 Ca 0.00 2.24 0.08 0.00 -1.57 0.00 0.00 52.86 53.61 3kpk s ASN 94 Cb 0.00 -2.58 -0.03 0.00 -0.02 0.00 0.00 41.25 38.63 3kpk s ASN 94 CO 0.00 -2.24 -0.22 0.28 -2.57 0.00 0.00 177.10 172.35 3kpk s THR 95 N -2.18 1.81 -0.17 1.60 -1.32 -1.26 -0.55 115.64 113.57 3kpk s THR 95 Ca 0.71 -1.36 0.01 0.00 -1.21 0.00 0.00 61.69 59.84 3kpk s THR 95 Cb -0.26 -1.59 0.03 0.00 -1.51 0.00 0.00 72.50 69.17 3kpk s THR 95 CO 0.47 0.16 -0.15 -0.69 -2.21 0.00 0.00 174.62 172.20 3kpk s VAL 96 N -0.90 1.69 0.31 5.08 1.01 0.12 -4.92 120.40 122.79 3kpk s VAL 96 Ca 0.09 -0.77 -0.17 0.00 0.00 0.00 0.00 61.98 61.12 3kpk s VAL 96 Cb -0.09 -1.61 -0.09 0.00 0.00 0.00 0.00 36.38 34.59 3kpk s VAL 96 CO 0.03 0.42 0.76 -2.28 0.00 0.00 0.00 175.10 174.03 3kpk s HIS 97 N 1.43 3.44 0.06 5.22 5.04 -1.26 -0.31 115.29 128.90 3kpk s HIS 97 Ca 0.04 1.31 0.01 0.00 -1.54 0.00 0.00 55.06 54.88 3kpk s HIS 97 Cb -0.14 -2.60 -0.03 0.00 0.04 0.00 0.00 32.58 29.85 3kpk s HIS 97 CO -0.11 0.14 -0.05 1.52 -2.34 0.00 0.00 174.74 173.89 3kpk s TYR 98 N -1.88 0.65 -0.21 3.88 -0.85 -0.59 -4.96 117.35 113.39 3kpk s TYR 98 Ca 0.52 -0.79 0.04 0.00 -0.52 0.00 0.00 57.07 56.33 3kpk s TYR 98 Cb -0.12 -0.41 -0.21 0.00 0.38 0.00 0.00 41.96 41.61 3kpk s TYR 98 CO 0.18 -0.20 -0.01 -0.25 -1.52 0.00 0.00 175.55 173.76 3kpk n ASP 99 N 0.63 1.56 -4.11 -0.18 8.00 0.68 -4.85 116.55 118.28 3kpk n ASP 99 Ca -0.17 -0.01 -0.21 0.00 0.71 0.00 0.00 54.79 55.10 3kpk n ASP 99 Cb 0.58 -0.20 -0.15 0.00 -0.02 0.00 0.00 41.12 41.34 3kpk n ASP 99 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kpk s TYR 100 N -2.53 1.22 -0.13 1.24 2.02 -0.88 -4.82 117.35 113.48 3kpk s TYR 100 Ca -0.26 -0.26 0.02 0.00 -0.37 0.00 0.00 57.07 56.20 3kpk s TYR 100 Cb 0.08 -0.77 0.02 0.00 -0.40 0.00 0.00 41.96 40.88 3kpk s TYR 100 CO 0.69 -0.01 -0.17 -1.17 -1.57 0.00 0.00 175.55 173.32 3kpk s LEU 101 N -0.52 1.86 -0.34 -1.29 2.96 -0.32 -0.88 118.68 120.16 3kpk s LEU 101 Ca 0.04 -0.51 -0.08 0.00 -0.22 0.00 0.00 54.13 53.36 3kpk s LEU 101 Cb -0.06 -1.25 0.03 0.00 0.50 0.00 0.00 46.19 45.41 3kpk s LEU 101 CO -0.00 0.02 0.13 -0.32 -1.32 0.00 0.00 176.35 174.85 3kpk s MET 102 N 1.08 2.83 -0.29 1.98 -2.45 0.75 -0.62 119.30 122.59 3kpk s MET 102 Ca -0.03 -1.05 -0.26 0.00 -1.25 0.00 0.00 55.69 53.10 3kpk s MET 102 Cb -0.14 -3.51 0.01 0.00 1.25 0.00 0.00 34.83 32.43 3kpk s MET 102 CO -0.05 -0.60 0.92 0.42 1.05 0.00 0.00 175.02 176.76 3kpk s ILE 103 N 1.48 4.70 -0.39 10.11 1.01 0.53 -1.03 121.20 137.61 3kpk s ILE 103 Ca 0.01 1.55 0.12 0.00 0.00 0.00 0.00 60.65 62.33 3kpk s ILE 103 Cb -0.19 -4.25 0.42 0.00 0.01 0.00 0.00 42.46 38.46 3kpk s ILE 103 CO 0.04 -0.27 0.97 0.00 0.00 0.00 0.00 174.94 175.68 3kpk n ALA 104 N 6.38 3.88 1.51 9.38 0.00 0.33 -1.56 120.51 140.43 3kpk n ALA 104 Ca 0.08 -3.68 0.14 0.00 0.00 0.00 0.00 53.44 49.98 3kpk n ALA 104 Cb 0.47 -0.79 0.61 0.00 0.00 0.00 0.00 19.45 19.74 3kpk n ALA 104 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kpk n THR 105 N -0.17 0.00 -4.81 0.00 -2.24 -1.18 -4.34 114.28 101.54 3kpk n THR 105 Ca 0.22 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 3kpk n THR 105 Cb 0.71 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 3kpk n THR 105 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kpk n GLY 106 N 1.21 0.60 3.86 3.38 0.00 -1.26 -4.79 105.19 108.18 3kpk n GLY 106 Ca 0.17 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 3kpk n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kpk s PRO 107 N 0.00 3.72 -0.07 1.61 0.04 -1.26 -4.14 135.00 134.91 3kpk s PRO 107 Ca 0.00 0.16 -0.30 0.00 0.04 0.00 0.00 61.00 60.91 3kpk s PRO 107 Cb 0.00 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.37 3kpk s PRO 107 CO 0.00 0.68 1.08 0.21 0.04 0.00 0.00 177.00 179.01 3kpk s LYS 108 N -1.34 4.41 -0.51 4.56 2.20 0.14 -4.84 119.74 124.37 3kpk s LYS 108 Ca 0.24 1.51 -0.29 0.00 -0.36 0.00 0.00 55.97 57.07 3kpk s LYS 108 Cb -0.15 -3.53 0.03 0.00 -1.51 0.00 0.00 37.83 32.68 3kpk s LYS 108 CO 0.13 -0.33 1.14 -0.51 -0.36 0.00 0.00 175.35 175.42 3kpk s LEU 109 N 1.92 3.60 -1.34 5.43 1.43 -1.26 -1.12 118.68 127.33 3kpk s LEU 109 Ca 0.52 0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 53.87 3kpk s LEU 109 Cb -0.21 -3.41 0.11 0.00 0.03 0.00 0.00 46.19 42.71 3kpk s LEU 109 CO 0.21 -1.32 2.24 0.00 0.23 0.00 0.00 176.35 177.71 3kpk n ALA 110 N 8.00 6.28 0.29 4.21 0.00 -0.41 -4.66 120.51 134.22 3kpk n ALA 110 Ca 0.11 -4.11 0.17 0.00 0.00 0.00 0.00 53.44 49.61 3kpk n ALA 110 Cb 0.49 -2.95 0.89 0.00 0.00 0.00 0.00 19.45 17.88 3kpk n ALA 110 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3kpk h PHE 111 N 5.14 0.00 0.00 0.00 0.04 -1.92 -2.45 116.94 117.76 3kpk h PHE 111 Ca 0.60 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.36 3kpk h PHE 111 Cb 0.44 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 3kpk h PHE 111 CO 1.49 0.05 -0.04 1.05 -0.60 0.00 0.00 178.31 180.26 3kpk h GLU 112 N 0.00 0.00 -0.09 1.51 9.09 -1.98 -1.30 114.58 121.82 3kpk h GLU 112 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 3kpk h GLU 112 Cb 0.22 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.32 3kpk h GLU 112 CO 0.01 0.04 0.01 -0.91 0.05 0.00 0.00 179.01 178.21 3kpk h ASN 113 N 0.00 0.10 -3.73 3.06 2.35 -1.84 -3.35 115.58 112.17 3kpk h ASN 113 Ca -0.00 -0.01 -0.64 0.00 -0.55 0.00 0.00 56.30 55.10 3kpk h ASN 113 Cb 0.19 -0.03 -0.40 0.00 0.05 0.00 0.00 38.32 38.13 3kpk h ASN 113 CO 0.01 0.12 -0.71 -0.69 -1.65 0.00 0.00 177.43 174.51 3kpk s VAL 114 N -5.04 2.04 0.21 2.81 1.01 -0.49 -5.00 120.40 115.94 3kpk s VAL 114 Ca -0.05 -2.42 -0.32 0.00 0.00 0.00 0.00 61.98 59.19 3kpk s VAL 114 Cb 0.17 -2.49 -0.15 0.00 0.00 0.00 0.00 36.38 33.91 3kpk s VAL 114 CO 0.69 -0.68 1.19 -2.65 0.00 0.00 0.00 175.10 173.66 3kpk n PRO 115 N 4.05 1.40 -0.41 2.72 -0.02 -1.26 -1.03 135.00 140.44 3kpk n PRO 115 Ca 0.04 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3kpk n PRO 115 Cb 0.39 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 3kpk n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kpk n GLY 116 N 1.92 1.55 0.06 -1.23 0.00 -1.25 -0.39 105.19 105.84 3kpk n GLY 116 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 3kpk n GLY 116 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kpk n SER 117 N 0.00 0.66 -4.74 1.61 3.41 -0.20 -4.06 113.62 110.31 3kpk n SER 117 Ca 0.00 0.17 -0.42 0.00 -0.26 0.00 0.00 58.87 58.36 3kpk n SER 117 Cb 0.00 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 3kpk n SER 117 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3kpk n ASP 118 N -2.04 3.34 0.09 4.04 -0.08 -1.26 -4.74 116.55 115.90 3kpk n ASP 118 Ca 0.04 1.21 0.17 0.00 -1.51 0.00 0.00 54.79 54.70 3kpk n ASP 118 Cb 0.42 -1.56 0.70 0.00 2.34 0.00 0.00 41.12 43.03 3kpk n ASP 118 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3kpk h PRO 119 N 3.01 0.00 -0.00 -0.67 0.11 -1.88 -0.76 132.00 131.81 3kpk h PRO 119 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kpk h PRO 119 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3kpk h PRO 119 CO 0.65 0.00 -0.22 0.72 -0.21 0.00 0.00 178.00 178.95 3kpk n HIS 120 N -4.31 0.00 0.23 0.65 8.25 -1.26 -4.03 115.22 114.75 3kpk n HIS 120 Ca 0.06 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.55 3kpk n HIS 120 Cb 0.46 -0.26 0.03 0.00 1.12 0.00 0.00 29.99 31.34 3kpk n HIS 120 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 3kpk n GLU 121 N -1.18 0.25 -1.29 -0.41 0.28 -0.30 -5.08 120.64 112.92 3kpk n GLU 121 Ca 0.10 -1.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.10 3kpk n GLU 121 Cb 0.32 -1.13 0.00 0.00 1.43 0.00 0.00 31.44 32.06 3kpk n GLU 121 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kpk n GLY 122 N 0.34 1.34 0.09 -1.84 0.00 -1.18 -4.93 105.19 99.01 3kpk n GLY 122 Ca 0.04 -0.89 0.13 0.00 0.00 0.00 0.00 46.02 45.31 3kpk n GLY 122 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kpk n PRO 123 N 0.00 0.23 -2.55 1.61 -0.05 -1.26 -4.74 135.00 128.24 3kpk n PRO 123 Ca 0.00 0.18 -0.42 0.00 -0.05 0.00 0.00 63.50 63.21 3kpk n PRO 123 Cb 0.00 -1.76 -0.02 0.00 -0.05 0.00 0.00 33.50 31.66 3kpk n PRO 123 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 3kpk s VAL 124 N -3.09 3.95 0.33 0.52 1.01 -1.26 -2.49 120.40 119.36 3kpk s VAL 124 Ca 0.11 0.83 -0.01 0.00 0.00 0.00 0.00 61.98 62.90 3kpk s VAL 124 Cb 0.13 -4.71 0.07 0.00 0.00 0.00 0.00 36.38 31.87 3kpk s VAL 124 CO 0.60 -1.37 0.45 0.00 0.00 0.00 0.00 175.10 174.77 3kpk n GLN 125 N 8.57 0.18 -3.87 2.72 1.13 0.27 -3.86 117.38 122.52 3kpk n GLN 125 Ca 0.09 -1.11 -0.11 0.00 -1.94 0.00 0.00 57.00 53.92 3kpk n GLN 125 Cb 0.49 -0.33 -0.11 0.00 0.11 0.00 0.00 30.24 30.41 3kpk n GLN 125 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3kpk s SER 126 N -2.78 0.01 -0.14 1.08 0.15 -1.26 -2.68 113.70 108.08 3kpk s SER 126 Ca 0.29 -0.12 0.15 0.00 0.70 0.00 0.00 55.95 56.97 3kpk s SER 126 Cb -0.01 0.21 0.32 0.00 -1.71 0.00 0.00 66.02 64.83 3kpk s SER 126 CO 0.19 -0.28 1.16 2.30 1.20 0.00 0.00 173.24 177.82 3kpk n ILE 127 N 1.87 1.79 0.08 6.45 -6.64 -1.26 -3.19 119.36 118.47 3kpk n ILE 127 Ca -0.20 -2.40 -0.05 0.00 -1.77 0.00 0.00 62.75 58.33 3kpk n ILE 127 Cb 0.56 -0.14 -0.05 0.00 -1.44 0.00 0.00 39.64 38.57 3kpk n ILE 127 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3kpk s THR 129 N -2.88 2.00 0.25 0.00 -4.23 -1.26 -4.97 115.64 104.56 3kpk s THR 129 Ca 0.01 -2.04 -0.05 0.00 -1.18 0.00 0.00 61.69 58.43 3kpk s THR 129 Cb 0.10 -1.98 0.20 0.00 1.34 0.00 0.00 72.50 72.15 3kpk s THR 129 CO 0.80 -0.32 1.85 1.62 -0.54 0.00 0.00 174.62 178.03 3kpk h VAL 130 N 3.02 1.24 -0.16 2.29 3.04 -1.95 0.25 116.25 123.99 3kpk h VAL 130 Ca -0.42 -0.68 0.05 0.00 -1.01 0.00 0.00 66.70 64.64 3kpk h VAL 130 Cb 1.22 0.24 -0.06 0.00 -2.01 0.00 0.00 31.29 30.67 3kpk h VAL 130 CO 0.53 0.29 -0.27 0.44 -1.01 0.00 0.00 177.57 177.55 3kpk h ASP 131 N 1.11 -0.85 -0.48 3.17 3.32 -1.98 -0.85 116.42 119.85 3kpk h ASP 131 Ca 0.27 0.14 -0.08 0.00 0.02 0.00 0.00 57.03 57.37 3kpk h ASP 131 Cb 0.10 0.38 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 3kpk h ASP 131 CO -0.04 -0.32 0.01 0.45 -1.72 0.00 0.00 179.24 177.63 3kpk h HIS 132 N -0.33 0.96 -0.50 4.55 3.86 -1.63 -2.40 115.15 119.67 3kpk h HIS 132 Ca 0.11 -0.14 -0.07 0.00 -1.16 0.00 0.00 60.37 59.10 3kpk h HIS 132 Cb 0.49 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 3kpk h HIS 132 CO -0.38 0.87 0.03 0.00 0.86 0.00 0.00 177.93 179.30 3kpk h ALA 133 N 1.17 1.11 -0.33 2.45 0.00 -0.21 0.38 119.26 123.83 3kpk h ALA 133 Ca 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3kpk h ALA 133 Cb 0.48 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3kpk h ALA 133 CO 0.02 0.57 0.12 0.93 0.00 0.00 0.00 179.25 180.89 3kpk h GLU 134 N 0.77 0.50 -0.69 0.00 5.08 -0.98 -0.38 114.58 118.87 3kpk h GLU 134 Ca 0.15 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3kpk h GLU 134 Cb 0.43 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 3kpk h GLU 134 CO 0.02 0.51 0.41 -0.09 -1.00 0.00 0.00 179.01 178.86 3kpk h ARG 135 N 0.37 0.76 -0.17 2.33 2.43 -0.89 -1.12 114.38 118.10 3kpk h ARG 135 Ca 0.11 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3kpk h ARG 135 Cb 0.21 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3kpk h ARG 135 CO -0.01 0.50 0.11 0.00 -1.51 0.00 0.00 179.97 179.07 3kpk h ALA 136 N 1.32 0.22 -0.18 2.80 0.00 0.12 -1.66 119.26 121.88 3kpk h ALA 136 Ca 0.29 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.20 3kpk h ALA 136 Cb 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3kpk h ALA 136 CO -0.14 -0.30 0.06 0.35 0.00 0.00 0.00 179.25 179.22 3kpk h PHE 137 N 0.23 0.12 -0.73 0.00 3.57 -0.62 0.88 116.94 120.39 3kpk h PHE 137 Ca 0.06 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.72 3kpk h PHE 137 Cb -0.03 -0.03 -0.10 0.00 2.79 0.00 0.00 35.95 38.59 3kpk h PHE 137 CO -0.07 0.06 0.23 0.00 -2.23 0.00 0.00 178.31 176.31 3kpk h ALA 138 N 1.11 0.98 -0.16 2.41 0.00 -0.95 0.21 119.26 122.87 3kpk h ALA 138 Ca 0.08 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 3kpk h ALA 138 Cb 0.04 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3kpk h ALA 138 CO -0.08 -0.28 -0.37 1.49 0.00 0.00 0.00 179.25 180.02 3kpk h GLU 139 N 0.35 0.33 -0.97 0.00 4.81 -0.50 -2.47 114.58 116.13 3kpk h GLU 139 Ca 0.40 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 3kpk h GLU 139 Cb 0.65 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.97 3kpk h GLU 139 CO -0.45 0.66 0.61 -0.92 -0.73 0.00 0.00 179.01 178.18 3kpk h TYR 140 N 0.28 1.26 -0.30 0.92 3.20 0.18 -0.68 116.97 121.83 3kpk h TYR 140 Ca 0.03 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 3kpk h TYR 140 Cb 0.79 -0.42 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 3kpk h TYR 140 CO 0.02 0.82 -0.09 1.96 -1.64 0.00 0.00 178.16 179.23 3kpk h GLN 141 N 1.33 0.49 -0.54 1.82 4.20 -0.52 -0.62 115.11 121.27 3kpk h GLN 141 Ca 0.35 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.87 3kpk h GLN 141 Cb -0.09 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 3kpk h GLN 141 CO -0.07 0.59 0.09 0.00 -0.67 0.00 0.00 178.83 178.77 3kpk h ALA 142 N 1.45 1.14 -0.54 3.87 0.00 -0.93 -1.37 119.26 122.87 3kpk h ALA 142 Ca 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3kpk h ALA 142 Cb 0.44 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3kpk h ALA 142 CO 0.02 0.57 0.27 1.25 0.00 0.00 0.00 179.25 181.37 3kpk h LEU 143 N 0.82 0.70 -1.60 0.00 5.85 -0.12 -0.72 115.31 120.24 3kpk h LEU 143 Ca 0.17 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3kpk h LEU 143 Cb 0.36 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3kpk h LEU 143 CO 0.01 0.62 0.16 -0.07 -0.34 0.00 0.00 178.44 178.82 3kpk h LEU 144 N 0.73 0.38 -0.03 2.25 4.07 -0.64 0.28 115.31 122.34 3kpk h LEU 144 Ca 0.19 -0.02 -0.25 0.00 0.08 0.00 0.00 57.88 57.88 3kpk h LEU 144 Cb 0.10 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3kpk h LEU 144 CO -0.03 0.31 -1.09 0.03 -1.08 0.00 0.00 178.44 176.59 3kpk h ARG 145 N 0.43 0.30 -2.04 1.13 3.08 -0.85 -3.39 114.38 113.04 3kpk h ARG 145 Ca 0.11 -0.41 -0.55 0.00 0.07 0.00 0.00 59.98 59.20 3kpk h ARG 145 Cb 0.03 0.14 -0.40 0.00 0.08 0.00 0.00 29.97 29.82 3kpk h ARG 145 CO -0.02 1.14 -1.02 0.39 -1.07 0.00 0.00 179.97 179.39 3kpk n GLU 146 N -3.62 1.17 -1.24 0.04 1.02 -0.31 -5.11 120.64 112.59 3kpk n GLU 146 Ca -0.07 -3.56 -0.43 0.00 -0.02 0.00 0.00 57.16 53.08 3kpk n GLU 146 Cb 0.93 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 30.80 3kpk n GLU 146 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3kpk n PRO 147 N 1.03 0.00 -2.86 3.49 -0.02 0.93 -4.72 135.00 132.86 3kpk n PRO 147 Ca 0.24 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.66 3kpk n PRO 147 Cb 0.53 -0.89 0.02 0.00 -0.02 0.00 0.00 33.50 33.14 3kpk n PRO 147 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kpk n GLY 148 N 1.79 1.26 3.73 -1.23 0.00 -1.26 -4.92 105.19 104.55 3kpk n GLY 148 Ca 0.16 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 3kpk n GLY 148 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kpk s PRO 149 N -2.06 4.37 -0.13 1.61 0.02 -1.26 -4.32 135.00 133.24 3kpk s PRO 149 Ca 0.11 2.03 -0.06 0.00 0.02 0.00 0.00 61.00 63.11 3kpk s PRO 149 Cb -0.03 -3.22 -0.04 0.00 0.02 0.00 0.00 34.50 31.23 3kpk s PRO 149 CO 0.07 -0.31 0.08 0.42 -0.33 0.00 0.00 177.00 176.93 3kpk s ILE 150 N 0.50 4.95 -0.12 2.83 1.01 0.46 -0.98 121.20 129.85 3kpk s ILE 150 Ca 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 60.65 61.23 3kpk s ILE 150 Cb -0.36 -3.16 0.04 0.00 0.01 0.00 0.00 42.46 38.99 3kpk s ILE 150 CO 0.35 0.56 0.03 -0.69 0.00 0.00 0.00 174.94 175.19 3kpk s VAL 151 N -0.53 0.34 0.06 2.92 1.01 -0.44 -1.42 120.40 122.33 3kpk s VAL 151 Ca 0.11 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.07 3kpk s VAL 151 Cb -0.12 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 3kpk s VAL 151 CO 0.02 0.06 -0.17 -0.63 0.00 0.00 0.00 175.10 174.38 3kpk s ILE 152 N 1.97 1.40 -3.40 2.22 1.01 -0.63 -1.16 121.20 122.60 3kpk s ILE 152 Ca 0.03 -1.23 0.00 0.00 0.00 0.00 0.00 60.65 59.44 3kpk s ILE 152 Cb -0.14 -1.26 0.00 0.00 0.01 0.00 0.00 42.46 41.07 3kpk s ILE 152 CO -0.06 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.49 3kpk n GLY 153 N 1.58 -0.58 2.80 6.18 0.00 -0.23 -1.71 105.19 113.23 3kpk n GLY 153 Ca -0.19 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.01 3kpk n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kpk s ALA 154 N -1.00 0.19 1.01 4.61 0.00 -0.20 -0.99 121.76 125.38 3kpk s ALA 154 Ca 0.00 0.23 -0.12 0.00 0.00 0.00 0.00 51.96 52.06 3kpk s ALA 154 Cb 0.00 -0.27 0.19 0.00 0.00 0.00 0.00 23.12 23.05 3kpk s ALA 154 CO 0.00 -0.08 1.08 -1.64 0.00 0.00 0.00 175.76 175.12 3kpk s MET 155 N 0.99 0.34 0.39 0.00 -1.94 0.21 -2.63 119.30 116.66 3kpk s MET 155 Ca -0.09 0.66 -0.27 0.00 -1.71 0.00 0.00 55.69 54.29 3kpk s MET 155 Cb -0.13 -1.71 -0.11 0.00 2.01 0.00 0.00 34.83 34.89 3kpk s MET 155 CO -0.02 -2.83 1.32 0.00 -0.01 0.00 0.00 175.02 173.47 3kpk n ALA 156 N -4.27 1.50 -0.49 3.03 0.00 -1.26 -2.14 120.51 116.89 3kpk n ALA 156 Ca 0.05 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3kpk n ALA 156 Cb 0.56 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.72 3kpk n ALA 156 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kpk n GLY 157 N 0.73 1.93 3.72 0.00 0.00 0.34 -4.21 105.19 107.70 3kpk n GLY 157 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3kpk n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kpk s ALA 158 N -3.41 2.04 0.00 4.61 0.00 -0.91 -4.17 121.76 119.93 3kpk s ALA 158 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.80 3kpk s ALA 158 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.65 3kpk s ALA 158 CO 0.00 -1.99 0.00 -1.13 0.00 0.00 0.00 175.76 172.64 3kpk n SER 159 N -2.92 2.37 -4.12 0.00 3.41 -1.26 -0.87 113.62 110.22 3kpk n SER 159 Ca 0.13 -0.07 -0.44 0.00 -0.26 0.00 0.00 58.87 58.24 3kpk n SER 159 Cb 0.50 0.61 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 3kpk n SER 159 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kpk n ALA 160 N -0.85 4.82 0.10 7.33 0.00 -1.26 -3.31 120.51 127.34 3kpk n ALA 160 Ca 0.00 -4.76 -0.17 0.00 0.00 0.00 0.00 53.44 48.52 3kpk n ALA 160 Cb 0.00 -2.37 -0.12 0.00 0.00 0.00 0.00 19.45 16.96 3kpk n ALA 160 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3kpk h PHE 161 N 5.87 0.59 -0.41 0.00 0.04 -1.91 -3.35 116.94 117.77 3kpk h PHE 161 Ca 0.19 -0.40 0.08 0.00 2.80 0.00 0.00 57.97 60.64 3kpk h PHE 161 Cb 0.71 -0.04 -0.09 0.00 2.20 0.00 0.00 35.95 38.73 3kpk h PHE 161 CO 0.91 1.29 -0.31 0.78 -0.60 0.00 0.00 178.31 180.39 3kpk h GLY 162 N 1.31 -0.18 0.35 -1.45 0.00 -1.88 -0.25 103.07 100.97 3kpk h GLY 162 Ca -0.14 0.39 0.20 0.00 0.00 0.00 0.00 47.33 47.79 3kpk h GLY 162 CO 0.20 -0.21 0.59 -2.55 0.00 0.00 0.00 176.54 174.57 3kpk h PRO 163 N -0.23 0.32 -0.04 4.80 0.11 -1.99 0.06 132.00 135.04 3kpk h PRO 163 Ca 0.18 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 3kpk h PRO 163 Cb 0.53 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 3kpk h PRO 163 CO -0.54 0.21 0.01 0.00 -0.21 0.00 0.00 178.00 177.48 3kpk h ALA 164 N 1.61 0.05 -0.42 -0.75 0.00 -1.20 -0.62 119.26 117.94 3kpk h ALA 164 Ca 0.45 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 3kpk h ALA 164 Cb 1.21 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3kpk h ALA 164 CO -0.14 -0.37 0.22 1.88 0.00 0.00 0.00 179.25 180.84 3kpk h TYR 165 N -0.10 0.58 -0.19 0.00 0.05 -1.14 -0.90 116.97 115.28 3kpk h TYR 165 Ca 0.01 -0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.81 3kpk h TYR 165 Cb 0.17 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.69 3kpk h TYR 165 CO -0.02 0.45 -0.01 1.49 -1.05 0.00 0.00 178.16 179.03 3kpk h GLU 166 N 0.54 0.05 -0.58 4.88 4.81 -0.93 -0.20 114.58 123.15 3kpk h GLU 166 Ca 0.15 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3kpk h GLU 166 Cb 0.07 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3kpk h GLU 166 CO -0.02 0.03 0.19 -0.92 -0.73 0.00 0.00 179.01 177.56 3kpk h TYR 167 N 0.05 0.93 -0.45 0.92 3.20 -0.96 -0.52 116.97 120.14 3kpk h TYR 167 Ca 0.09 -0.09 0.01 0.00 3.14 0.00 0.00 58.73 61.88 3kpk h TYR 167 Cb 0.11 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.08 3kpk h TYR 167 CO -0.17 0.77 0.28 0.00 -1.64 0.00 0.00 178.16 177.39 3kpk h ALA 168 N 1.06 0.57 -0.48 1.82 0.00 -0.79 -1.15 119.26 120.28 3kpk h ALA 168 Ca 0.19 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 3kpk h ALA 168 Cb 0.27 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3kpk h ALA 168 CO -0.01 -0.02 -0.10 0.52 0.00 0.00 0.00 179.25 179.64 3kpk h MET 169 N 0.56 0.91 0.00 0.00 2.86 -0.69 -2.27 114.93 116.30 3kpk h MET 169 Ca 0.17 -0.34 -0.10 0.00 -2.06 0.00 0.00 59.70 57.37 3kpk h MET 169 Cb -0.02 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 3kpk h MET 169 CO -0.06 0.99 -0.47 -0.84 1.06 0.00 0.00 176.91 177.58 3kpk h ILE 170 N 0.76 0.93 0.04 -1.22 3.07 -0.97 -1.06 117.51 119.06 3kpk h ILE 170 Ca 0.12 -1.95 -0.00 0.00 1.55 0.00 0.00 64.86 64.59 3kpk h ILE 170 Cb 0.64 2.20 0.00 0.00 -0.27 0.00 0.00 36.82 39.39 3kpk h ILE 170 CO 0.04 0.46 -0.02 0.58 -1.05 0.00 0.00 178.15 178.17 3kpk h VAL 171 N 0.00 1.11 -0.52 0.16 2.07 -1.13 0.10 116.25 118.04 3kpk h VAL 171 Ca -0.00 -0.48 0.06 0.00 0.82 0.00 0.00 66.70 67.09 3kpk h VAL 171 Cb 1.16 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 32.31 3kpk h VAL 171 CO 0.06 0.12 0.22 0.00 0.02 0.00 0.00 177.57 178.00 3kpk h ALA 172 N 0.69 0.66 -0.26 1.67 0.00 -1.25 0.11 119.26 120.89 3kpk h ALA 172 Ca -0.01 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3kpk h ALA 172 Cb 0.24 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3kpk h ALA 172 CO 0.01 -0.15 0.14 1.03 0.00 0.00 0.00 179.25 180.27 3kpk h SER 173 N 0.43 0.22 -0.43 0.00 0.87 -1.07 -1.91 113.55 111.66 3kpk h SER 173 Ca 0.24 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.78 3kpk h SER 173 Cb 0.22 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 3kpk h SER 173 CO -0.21 0.16 0.15 -0.78 -0.53 0.00 0.00 176.83 175.62 3kpk h ASP 174 N 0.29 0.62 -0.39 6.23 3.58 -0.27 -1.31 116.42 125.17 3kpk h ASP 174 Ca 0.10 -0.19 0.08 0.00 0.42 0.00 0.00 57.03 57.45 3kpk h ASP 174 Cb 0.01 -0.16 -0.09 0.00 1.72 0.00 0.00 39.33 40.81 3kpk h ASP 174 CO -0.06 0.64 -0.23 -0.07 -2.88 0.00 0.00 179.24 176.64 3kpk h LEU 175 N 0.56 -0.79 0.00 2.28 4.07 -0.59 -1.39 115.31 119.45 3kpk h LEU 175 Ca 0.14 0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.27 3kpk h LEU 175 Cb 0.23 0.40 -0.01 0.00 1.08 0.00 0.00 40.66 42.37 3kpk h LEU 175 CO -0.01 -0.26 -0.03 0.11 -1.08 0.00 0.00 178.44 177.18 3kpk h LYS 176 N -0.17 -0.05 -0.07 1.13 1.57 -1.08 0.34 116.57 118.24 3kpk h LYS 176 Ca 0.19 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.99 3kpk h LYS 176 Cb 0.46 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 3kpk h LYS 176 CO -0.49 -0.03 0.26 -0.22 -0.57 0.00 0.00 179.45 178.39 3kpk h LYS 177 N -0.05 0.00 -0.21 3.15 3.64 -0.81 0.62 116.57 122.91 3kpk h LYS 177 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3kpk h LYS 177 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3kpk h LYS 177 CO -0.03 0.00 0.00 0.54 -2.27 0.00 0.00 179.45 177.69 3kpk n ARG 178 N -3.15 2.28 -3.30 1.90 1.74 -0.53 -4.93 116.66 110.66 3kpk n ARG 178 Ca -0.01 -1.90 -0.24 0.00 -0.77 0.00 0.00 57.85 54.93 3kpk n ARG 178 Cb 0.34 -1.48 0.02 0.00 -1.02 0.00 0.00 32.46 30.32 3kpk n ARG 178 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kpk n GLY 179 N 1.38 -0.51 0.03 -0.13 0.00 0.22 -4.85 105.19 101.33 3kpk n GLY 179 Ca 0.17 0.14 0.02 0.00 0.00 0.00 0.00 46.02 46.35 3kpk n GLY 179 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3kpk n MET 180 N -4.09 4.54 0.27 1.61 0.00 -0.00 -4.78 117.12 114.66 3kpk n MET 180 Ca -0.05 -0.13 -0.16 0.00 0.00 0.00 0.00 57.70 57.36 3kpk n MET 180 Cb 0.58 -0.79 -0.08 0.00 0.00 0.00 0.00 33.22 32.93 3kpk n MET 180 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 3kpk h ARG 181 N 0.16 -0.78 0.00 2.12 9.65 -1.83 -2.23 114.38 121.46 3kpk h ARG 181 Ca 0.00 0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 3kpk h ARG 181 Cb 0.13 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.89 3kpk h ARG 181 CO 0.00 -0.52 0.00 -0.40 2.80 0.00 0.00 179.97 181.85 3kpk n ASP 182 N -5.48 0.00 -0.19 -3.80 5.75 -1.26 -1.28 116.55 110.29 3kpk n ASP 182 Ca -0.11 0.17 0.15 0.00 -0.01 0.00 0.00 54.79 54.99 3kpk n ASP 182 Cb 0.38 -0.27 0.71 0.00 -1.03 0.00 0.00 41.12 40.90 3kpk n ASP 182 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kpk n LYS 183 N -1.27 1.10 -3.20 0.11 4.01 -0.84 -4.83 118.16 113.24 3kpk n LYS 183 Ca 0.03 -0.37 -0.40 0.00 -0.51 0.00 0.00 58.31 57.05 3kpk n LYS 183 Cb 0.05 -1.49 -0.07 0.00 -0.51 0.00 0.00 35.03 33.00 3kpk n LYS 183 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3kpk s ILE 184 N -2.16 5.02 0.18 -0.18 -1.09 -0.40 -4.61 121.20 117.96 3kpk s ILE 184 Ca 0.39 0.78 -0.16 0.00 -2.23 0.00 0.00 60.65 59.42 3kpk s ILE 184 Cb 0.21 -3.90 0.15 0.00 -1.58 0.00 0.00 42.46 37.34 3kpk s ILE 184 CO 0.39 -0.03 1.65 -0.65 -1.23 0.00 0.00 174.94 175.07 3kpk h PRO 185 N 8.15 -0.00 -2.00 2.79 0.11 -1.88 -3.44 132.00 135.72 3kpk h PRO 185 Ca -0.28 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.77 3kpk h PRO 185 Cb 1.13 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.05 3kpk h PRO 185 CO 0.75 -0.00 0.18 -1.54 -0.21 0.00 0.00 178.00 177.18 3kpk s SER 186 N -5.22 -0.67 -0.13 -2.05 1.04 -1.26 -5.02 113.70 100.38 3kpk s SER 186 Ca -0.14 0.78 -0.02 0.00 0.48 0.00 0.00 55.95 57.04 3kpk s SER 186 Cb 0.16 0.61 0.04 0.00 0.10 0.00 0.00 66.02 66.94 3kpk s SER 186 CO 0.72 -0.58 0.03 0.12 0.98 0.00 0.00 173.24 174.51 3kpk s PHE 187 N -1.06 0.71 0.01 5.02 5.99 -1.26 -0.40 117.98 126.98 3kpk s PHE 187 Ca -0.10 -0.44 0.02 0.00 0.00 0.00 0.00 56.93 56.42 3kpk s PHE 187 Cb -0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 43.02 42.15 3kpk s PHE 187 CO 0.09 -0.46 -0.08 -0.08 -0.00 0.00 0.00 175.22 174.70 3kpk s THR 188 N 1.96 0.60 -0.22 0.12 -1.32 -0.51 -1.86 115.64 114.41 3kpk s THR 188 Ca 0.02 -0.51 -0.04 0.00 -1.21 0.00 0.00 61.69 59.95 3kpk s THR 188 Cb -0.15 -0.54 -0.01 0.00 -1.51 0.00 0.00 72.50 70.30 3kpk s THR 188 CO -0.07 0.04 -0.04 0.12 -2.21 0.00 0.00 174.62 172.46 3kpk s PHE 189 N -0.46 2.96 -0.16 9.09 2.19 0.12 -1.61 117.98 130.13 3kpk s PHE 189 Ca 0.00 -0.87 0.01 0.00 0.33 0.00 0.00 56.93 56.40 3kpk s PHE 189 Cb -0.05 -2.10 0.00 0.00 -1.31 0.00 0.00 43.02 39.57 3kpk s PHE 189 CO 0.00 -0.50 -0.17 0.42 1.83 0.00 0.00 175.22 176.80 3kpk s ILE 190 N 1.41 2.52 0.03 3.12 -1.09 -0.69 -0.81 121.20 125.68 3kpk s ILE 190 Ca 0.05 -0.82 0.00 0.00 -2.23 0.00 0.00 60.65 57.66 3kpk s ILE 190 Cb -0.14 -2.06 -0.02 0.00 -1.58 0.00 0.00 42.46 38.66 3kpk s ILE 190 CO -0.02 0.52 -0.04 0.28 -1.23 0.00 0.00 174.94 174.45 3kpk s THR 191 N 0.87 0.21 -0.94 2.92 -1.32 -0.55 -1.03 115.64 115.80 3kpk s THR 191 Ca -0.05 -1.03 0.28 0.00 -1.21 0.00 0.00 61.69 59.68 3kpk s THR 191 Cb -0.15 -0.45 0.20 0.00 -1.51 0.00 0.00 72.50 70.59 3kpk s THR 191 CO -0.01 -0.52 1.79 -1.54 -2.21 0.00 0.00 174.62 172.13 3kpk n SER 192 N 1.43 0.24 -4.64 8.08 3.41 -1.08 -1.31 113.62 119.75 3kpk n SER 192 Ca -0.23 0.37 -0.41 0.00 -0.26 0.00 0.00 58.87 58.35 3kpk n SER 192 Cb 0.55 -0.39 0.01 0.00 -0.26 0.00 0.00 64.21 64.13 3kpk n SER 192 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kpk n GLU 193 N -1.65 1.51 0.24 4.33 1.02 -1.26 -4.25 120.64 120.59 3kpk n GLU 193 Ca 0.06 0.54 0.11 0.00 -0.02 0.00 0.00 57.16 57.86 3kpk n GLU 193 Cb 0.36 -2.17 0.61 0.00 -0.02 0.00 0.00 31.44 30.22 3kpk n GLU 193 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3kpk h PRO 194 N 1.65 0.00 -3.34 3.49 0.13 -1.90 0.81 132.00 132.84 3kpk h PRO 194 Ca -0.46 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 3kpk h PRO 194 Cb 1.32 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.34 3kpk h PRO 194 CO 0.57 0.17 -0.01 1.52 -0.23 0.00 0.00 178.00 180.03 3kpk s TYR 195 N -3.98 -0.17 0.19 1.56 -0.85 -1.26 -4.52 117.35 108.32 3kpk s TYR 195 Ca -0.02 -0.15 -0.32 0.00 -0.52 0.00 0.00 57.07 56.07 3kpk s TYR 195 Cb 0.12 0.33 -0.11 0.00 0.38 0.00 0.00 41.96 42.68 3kpk s TYR 195 CO 0.61 -0.81 1.66 0.42 -1.52 0.00 0.00 175.55 175.91 3kpk s ILE 196 N -3.84 2.24 0.00 -3.49 -1.09 -1.26 -2.22 121.20 111.54 3kpk s ILE 196 Ca 0.06 0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.66 3kpk s ILE 196 Cb 0.00 -3.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.77 3kpk s ILE 196 CO -0.07 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.26 3kpk n GLY 197 N 3.85 0.52 0.26 6.18 0.00 -1.26 -4.05 105.19 110.69 3kpk n GLY 197 Ca 0.15 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 3kpk n GLY 197 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3kpk h HIS 198 N 0.00 0.83 -0.67 1.61 6.17 -1.80 -3.35 115.15 117.95 3kpk h HIS 198 Ca 0.00 0.00 -0.29 0.00 0.71 0.00 0.00 60.37 60.80 3kpk h HIS 198 Cb 0.00 -0.28 -0.11 0.00 2.52 0.00 0.00 27.41 29.54 3kpk h HIS 198 CO 0.00 0.56 -0.26 1.28 0.71 0.00 0.00 177.93 180.22 3kpk n LEU 199 N -4.60 -0.81 0.00 0.26 4.77 -1.26 -1.15 117.00 114.22 3kpk n LEU 199 Ca 0.05 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 3kpk n LEU 199 Cb 0.05 -2.52 0.00 0.00 -2.33 0.00 0.00 43.42 38.61 3kpk n LEU 199 CO 0.36 -0.95 0.00 0.61 -1.33 0.00 0.00 177.39 176.08 3kpk n GLY 200 N -0.39 0.45 0.63 -0.72 0.00 -1.26 -4.65 105.19 99.25 3kpk n GLY 200 Ca -0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.92 3kpk n GLY 200 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kpk n ILE 201 N -2.64 0.67 -2.20 -0.61 -5.35 -0.30 -4.09 119.36 104.84 3kpk n ILE 201 Ca 0.00 -1.09 -0.18 0.00 -0.27 0.00 0.00 62.75 61.22 3kpk n ILE 201 Cb 0.10 0.36 -0.02 0.00 -1.74 0.00 0.00 39.64 38.33 3kpk n ILE 201 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kpk n GLN 202 N -0.34 -1.38 0.00 6.28 3.00 -1.04 -4.72 117.38 119.17 3kpk n GLN 202 Ca 0.07 0.90 0.00 0.00 -0.01 0.00 0.00 57.00 57.96 3kpk n GLN 202 Cb 0.78 -5.35 0.00 0.00 0.00 0.00 0.00 30.24 25.68 3kpk n GLN 202 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kpk n GLY 203 N -0.98 -2.56 3.11 1.08 0.00 -0.34 -4.97 105.19 100.53 3kpk n GLY 203 Ca -0.20 -1.39 -0.12 0.00 0.00 0.00 0.00 46.02 44.30 3kpk n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kpk s VAL 204 N -3.45 -0.15 0.00 1.61 0.11 -1.26 -5.03 120.40 112.24 3kpk s VAL 204 Ca 0.00 0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 3kpk s VAL 204 Cb 0.00 -0.46 0.00 0.00 -1.53 0.00 0.00 36.38 34.39 3kpk s VAL 204 CO 0.00 0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.45 3kpk n GLY 205 N 4.54 2.65 2.30 6.54 0.00 -1.21 -0.81 105.19 119.20 3kpk n GLY 205 Ca -0.20 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 3kpk n GLY 205 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kpk n ASP 206 N 1.36 7.12 -0.32 1.61 2.03 -1.26 -4.63 116.55 122.46 3kpk n ASP 206 Ca 0.00 -3.77 0.08 0.00 0.52 0.00 0.00 54.79 51.62 3kpk n ASP 206 Cb 0.00 -0.94 0.24 0.00 -0.72 0.00 0.00 41.12 39.70 3kpk n ASP 206 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3kpk h SER 207 N 1.88 0.64 0.51 1.67 4.64 -1.28 -0.27 113.55 121.35 3kpk h SER 207 Ca 0.60 0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.99 3kpk h SER 207 Cb 1.09 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 3kpk h SER 207 CO 1.51 0.28 -0.34 0.50 -0.87 0.00 0.00 176.83 177.91 3kpk h LYS 208 N 0.71 -0.79 -0.43 4.77 3.64 -1.74 -1.32 116.57 121.41 3kpk h LYS 208 Ca 0.49 0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.83 3kpk h LYS 208 Cb 0.67 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 3kpk h LYS 208 CO -0.35 -0.53 -0.10 0.78 -2.27 0.00 0.00 179.45 176.98 3kpk h GLY 209 N -0.82 0.89 1.07 5.01 0.00 -1.76 -1.73 103.07 105.73 3kpk h GLY 209 Ca -0.06 -0.73 -0.14 0.00 0.00 0.00 0.00 47.33 46.40 3kpk h GLY 209 CO 0.04 0.67 -0.32 -2.22 0.00 0.00 0.00 176.54 174.71 3kpk h ILE 210 N 0.65 1.28 -0.11 2.60 2.04 -1.04 -1.31 117.51 121.63 3kpk h ILE 210 Ca 0.11 -1.49 -0.20 0.00 1.00 0.00 0.00 64.86 64.28 3kpk h ILE 210 Cb 0.63 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 3kpk h ILE 210 CO 0.04 0.49 -0.74 -0.07 0.00 0.00 0.00 178.15 177.87 3kpk h LEU 211 N 0.66 0.63 0.38 1.44 4.07 -1.28 -0.62 115.31 120.59 3kpk h LEU 211 Ca 0.06 -0.41 -0.01 0.00 0.08 0.00 0.00 57.88 57.60 3kpk h LEU 211 Cb 0.91 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 3kpk h LEU 211 CO 0.08 1.17 -0.28 0.74 -1.08 0.00 0.00 178.44 179.07 3kpk h THR 212 N 0.37 0.41 -0.60 0.22 2.02 -1.26 -0.67 112.91 113.40 3kpk h THR 212 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3kpk h THR 212 Cb 1.33 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 3kpk h THR 212 CO 0.14 0.00 0.38 0.50 0.37 0.00 0.00 175.52 176.90 3kpk h LYS 213 N -0.65 0.80 -0.03 6.66 3.64 -1.25 -1.77 116.57 123.97 3kpk h LYS 213 Ca -0.03 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3kpk h LYS 213 Cb 0.56 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3kpk h LYS 213 CO 0.00 0.55 0.01 0.78 -2.27 0.00 0.00 179.45 178.52 3kpk h GLY 214 N 0.84 0.04 0.90 5.01 0.00 -0.78 0.31 103.07 109.40 3kpk h GLY 214 Ca 0.22 -0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.54 3kpk h GLY 214 CO -0.04 0.02 0.05 1.41 0.00 0.00 0.00 176.54 177.97 3kpk h LEU 215 N -0.05 0.05 -0.39 3.11 3.38 -0.95 -2.58 115.31 117.88 3kpk h LEU 215 Ca 0.01 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.05 3kpk h LEU 215 Cb 0.09 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 3kpk h LEU 215 CO -0.00 0.05 0.08 0.50 0.09 0.00 0.00 178.44 179.16 3kpk h LYS 216 N 0.11 0.21 -0.92 1.13 3.64 -1.23 -1.30 116.57 118.20 3kpk h LYS 216 Ca 0.06 -0.01 0.21 0.00 -1.27 0.00 0.00 60.65 59.63 3kpk h LYS 216 Cb 0.03 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.73 3kpk h LYS 216 CO -0.06 0.14 0.61 1.49 -2.27 0.00 0.00 179.45 179.35 3kpk h GLU 217 N 0.21 0.42 -0.36 1.90 4.81 -0.75 -1.14 114.58 119.68 3kpk h GLU 217 Ca 0.19 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3kpk h GLU 217 Cb 0.22 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3kpk h GLU 217 CO -0.24 0.28 0.00 0.39 -0.73 0.00 0.00 179.01 178.71 3kpk n GLU 218 N -4.54 2.17 -3.34 1.92 -0.58 -0.66 -4.93 120.64 110.69 3kpk n GLU 218 Ca 0.20 -1.78 -0.18 0.00 -0.42 0.00 0.00 57.16 54.98 3kpk n GLU 218 Cb 0.70 -1.44 0.07 0.00 -0.57 0.00 0.00 31.44 30.20 3kpk n GLU 218 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kpk n GLY 219 N 1.33 -0.27 3.40 0.62 0.00 -0.43 -5.01 105.19 104.83 3kpk n GLY 219 Ca 0.18 0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 3kpk n GLY 219 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kpk s ILE 220 N -3.28 4.01 0.01 -0.61 1.01 -0.58 -4.56 121.20 117.20 3kpk s ILE 220 Ca 0.31 -0.33 -0.27 0.00 0.00 0.00 0.00 60.65 60.36 3kpk s ILE 220 Cb -0.14 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 3kpk s ILE 220 CO 0.61 0.33 0.87 -0.70 0.00 0.00 0.00 174.94 176.05 3kpk s GLU 221 N 1.56 4.54 -0.05 2.79 2.12 -0.78 -4.21 118.70 124.68 3kpk s GLU 221 Ca 0.06 1.23 0.06 0.00 0.36 0.00 0.00 54.97 56.67 3kpk s GLU 221 Cb -0.15 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.81 3kpk s GLU 221 CO 0.02 0.09 -0.22 0.00 -0.54 0.00 0.00 175.26 174.60 3kpk s ALA 222 N 0.57 1.93 -0.04 6.30 0.00 -1.26 0.16 121.76 129.41 3kpk s ALA 222 Ca 0.45 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.51 3kpk s ALA 222 Cb -0.21 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.33 3kpk s ALA 222 CO 0.25 0.39 -0.12 0.71 0.00 0.00 0.00 175.76 176.98 3kpk s TYR 223 N -0.17 1.32 0.46 0.00 2.02 0.01 -4.97 117.35 116.01 3kpk s TYR 223 Ca -0.01 -0.39 0.06 0.00 -0.37 0.00 0.00 57.07 56.36 3kpk s TYR 223 Cb -0.12 -0.93 -0.02 0.00 -0.40 0.00 0.00 41.96 40.49 3kpk s TYR 223 CO 0.02 -0.17 0.23 0.95 -1.57 0.00 0.00 175.55 175.02 3kpk s THR 224 N 0.27 2.03 -1.45 -0.71 -4.23 -1.26 -1.49 115.64 108.80 3kpk s THR 224 Ca -0.06 -1.65 -0.10 0.00 -1.18 0.00 0.00 61.69 58.70 3kpk s THR 224 Cb -0.11 -2.68 0.04 0.00 1.34 0.00 0.00 72.50 71.08 3kpk s THR 224 CO 0.02 0.00 0.97 0.59 -0.54 0.00 0.00 174.62 175.65 3kpk n ASN 225 N -1.40 -5.63 -4.62 3.99 3.02 0.28 -4.76 115.26 106.14 3kpk n ASN 225 Ca -0.03 -0.57 -0.33 0.00 -0.03 0.00 0.00 54.58 53.63 3kpk n ASN 225 Cb 0.65 -4.48 -0.10 0.00 -0.61 0.00 0.00 39.78 35.24 3kpk n ASN 225 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kpk s LYS 227 N -1.34 1.10 -0.27 0.00 -2.85 -0.05 -3.34 119.74 112.99 3kpk s LYS 227 Ca 0.17 -1.07 -0.13 0.00 -1.00 0.00 0.00 55.97 53.94 3kpk s LYS 227 Cb -0.11 -1.29 -0.04 0.00 -2.06 0.00 0.00 37.83 34.32 3kpk s LYS 227 CO 0.07 0.30 0.27 0.08 0.10 0.00 0.00 175.35 176.17 3kpk s VAL 228 N -1.10 5.26 0.03 1.79 1.01 -1.26 -0.48 120.40 125.65 3kpk s VAL 228 Ca 0.05 0.35 -0.05 0.00 0.00 0.00 0.00 61.98 62.32 3kpk s VAL 228 Cb -0.10 -3.60 -0.29 0.00 0.00 0.00 0.00 36.38 32.39 3kpk s VAL 228 CO 0.03 0.22 0.99 0.71 0.00 0.00 0.00 175.10 177.05 3kpk h THR 229 N 5.34 1.31 -2.60 3.92 1.35 -1.25 -3.45 112.91 117.53 3kpk h THR 229 Ca -0.34 -2.89 -0.02 0.00 -0.55 0.00 0.00 66.41 62.61 3kpk h THR 229 Cb 1.18 2.87 -0.15 0.00 -1.73 0.00 0.00 68.15 70.32 3kpk h THR 229 CO 0.60 0.85 0.23 -1.59 -0.25 0.00 0.00 175.52 175.36 3kpk s LYS 230 N -2.63 1.16 -0.19 4.72 -2.85 -1.24 -4.21 119.74 114.50 3kpk s LYS 230 Ca -0.07 -0.22 -0.02 0.00 -1.00 0.00 0.00 55.97 54.66 3kpk s LYS 230 Cb 0.07 0.54 -0.01 0.00 -2.06 0.00 0.00 37.83 36.37 3kpk s LYS 230 CO 0.88 -0.46 -0.09 0.08 0.10 0.00 0.00 175.35 175.85 3kpk s VAL 231 N -2.85 3.09 -0.23 1.79 1.01 0.47 -1.22 120.40 122.46 3kpk s VAL 231 Ca -0.02 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 3kpk s VAL 231 Cb -0.01 -2.37 0.06 0.00 0.00 0.00 0.00 36.38 34.07 3kpk s VAL 231 CO -0.05 0.47 0.60 -0.70 0.00 0.00 0.00 175.10 175.41 3kpk s GLU 232 N 1.16 0.69 -1.61 2.72 2.12 -0.28 -3.94 118.70 119.55 3kpk s GLU 232 Ca 0.02 0.87 -0.12 0.00 0.36 0.00 0.00 54.97 56.10 3kpk s GLU 232 Cb -0.14 0.30 0.10 0.00 0.26 0.00 0.00 34.13 34.65 3kpk s GLU 232 CO -0.03 -0.09 0.62 -0.25 -0.54 0.00 0.00 175.26 174.97 3kpk n ASP 233 N 2.98 -2.09 -2.01 -1.70 8.00 -1.26 -0.45 116.55 120.02 3kpk n ASP 233 Ca -0.15 -1.03 -0.18 0.00 0.71 0.00 0.00 54.79 54.14 3kpk n ASP 233 Cb 0.56 -2.74 -0.04 0.00 -0.02 0.00 0.00 41.12 38.88 3kpk n ASP 233 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3kpk n ASN 234 N -2.77 -5.05 -4.34 -2.24 3.02 -1.26 -4.96 115.26 97.66 3kpk n ASN 234 Ca -0.07 0.23 -0.30 0.00 -0.03 0.00 0.00 54.58 54.42 3kpk n ASN 234 Cb 0.56 -4.35 -0.14 0.00 -0.61 0.00 0.00 39.78 35.24 3kpk n ASN 234 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3kpk s LYS 235 N -4.36 1.71 -0.22 3.52 1.02 0.41 -1.20 119.74 120.61 3kpk s LYS 235 Ca 0.00 -1.13 -0.07 0.00 0.02 0.00 0.00 55.97 54.79 3kpk s LYS 235 Cb 0.00 -1.92 -0.03 0.00 -0.52 0.00 0.00 37.83 35.36 3kpk s LYS 235 CO 0.00 0.49 0.06 1.41 -0.92 0.00 0.00 175.35 176.39 3kpk s MET 236 N -1.35 3.75 -0.35 1.68 -2.45 0.12 -1.13 119.30 119.57 3kpk s MET 236 Ca 0.12 -0.44 -0.14 0.00 -1.25 0.00 0.00 55.69 53.98 3kpk s MET 236 Cb -0.10 -3.27 -0.01 0.00 1.25 0.00 0.00 34.83 32.70 3kpk s MET 236 CO 0.03 -0.03 0.29 0.71 1.05 0.00 0.00 175.02 177.07 3kpk s TYR 237 N 1.18 3.22 -0.09 4.11 2.02 -0.36 -1.47 117.35 125.96 3kpk s TYR 237 Ca 0.04 -0.21 0.03 0.00 -0.37 0.00 0.00 57.07 56.57 3kpk s TYR 237 Cb -0.14 -2.56 -0.01 0.00 -0.40 0.00 0.00 41.96 38.84 3kpk s TYR 237 CO 0.03 -0.42 -0.18 0.08 -1.57 0.00 0.00 175.55 173.49 3kpk s VAL 238 N 1.82 2.61 -0.15 0.71 1.01 -0.48 -0.64 120.40 125.29 3kpk s VAL 238 Ca 0.08 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3kpk s VAL 238 Cb -0.17 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 3kpk s VAL 238 CO 0.11 0.55 -0.15 -0.89 0.00 0.00 0.00 175.10 174.72 3kpk s THR 239 N 0.05 2.76 -0.13 3.92 2.01 0.37 -0.43 115.64 124.19 3kpk s THR 239 Ca -0.07 -0.75 -0.03 0.00 0.31 0.00 0.00 61.69 61.15 3kpk s THR 239 Cb -0.15 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.17 3kpk s THR 239 CO 0.05 0.52 -0.02 -1.58 -0.69 0.00 0.00 174.62 172.90 3kpk s GLN 240 N 0.66 3.42 0.42 4.92 0.74 0.04 -0.87 119.66 128.99 3kpk s GLN 240 Ca -0.08 -0.48 0.07 0.00 0.05 0.00 0.00 55.36 54.93 3kpk s GLN 240 Cb -0.16 -2.88 -0.03 0.00 1.10 0.00 0.00 33.01 31.04 3kpk s GLN 240 CO 0.02 0.41 0.27 0.14 -0.55 0.00 0.00 175.29 175.59 3kpk s VAL 241 N -0.09 2.39 0.51 1.34 -7.23 -0.22 -0.47 120.40 116.62 3kpk s VAL 241 Ca 0.03 -1.55 0.08 0.00 -1.81 0.00 0.00 61.98 58.73 3kpk s VAL 241 Cb -0.13 -2.94 0.05 0.00 0.56 0.00 0.00 36.38 33.93 3kpk s VAL 241 CO 0.02 0.00 0.70 1.51 -0.31 0.00 0.00 175.10 177.02 3kpk s ASP 242 N -4.02 5.34 0.66 4.85 -4.77 0.11 -4.73 116.67 114.11 3kpk s ASP 242 Ca 0.43 -0.59 0.27 0.00 -3.30 0.00 0.00 52.55 49.35 3kpk s ASP 242 Cb 0.01 -0.21 1.43 0.00 -1.09 0.00 0.00 42.92 43.06 3kpk s ASP 242 CO 0.24 -1.08 1.81 -0.33 0.70 0.00 0.00 175.17 176.51 3kpk h GLU 243 N 0.36 0.00 -0.02 2.11 5.08 -1.98 0.20 114.58 120.32 3kpk h GLU 243 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3kpk h GLU 243 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3kpk h GLU 243 CO 0.43 0.00 -0.08 1.63 -1.00 0.00 0.00 179.01 179.99 3kpk n LYS 244 N -2.94 1.87 0.00 2.33 4.76 -1.26 -4.69 118.16 118.24 3kpk n LYS 244 Ca -0.00 -1.62 0.00 0.00 -2.87 0.00 0.00 58.31 53.81 3kpk n LYS 244 Cb 0.49 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 3kpk n LYS 244 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kpk n GLY 245 N 1.23 2.25 3.77 0.72 0.00 0.69 -5.05 105.19 108.80 3kpk n GLY 245 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3kpk n GLY 245 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kpk s GLU 246 N -0.94 4.13 0.29 1.61 8.01 -1.26 -4.60 118.70 125.93 3kpk s GLU 246 Ca 0.00 2.44 -0.29 0.00 0.01 0.00 0.00 54.97 57.13 3kpk s GLU 246 Cb 0.00 -2.96 -0.10 0.00 -4.31 0.00 0.00 34.13 26.76 3kpk s GLU 246 CO 0.00 -0.47 1.43 0.99 0.01 0.00 0.00 175.26 177.23 3kpk s THR 247 N -1.14 2.54 0.00 3.63 2.01 -1.26 0.06 115.64 121.47 3kpk s THR 247 Ca 0.53 0.48 0.00 0.00 0.31 0.00 0.00 61.69 63.01 3kpk s THR 247 Cb -0.44 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 68.76 3kpk s THR 247 CO 0.59 0.09 0.00 2.30 -0.69 0.00 0.00 174.62 176.91 3kpk n ILE 248 N 1.75 0.00 -3.63 1.82 -5.35 0.38 -4.81 119.36 109.52 3kpk n ILE 248 Ca 0.05 -0.11 -0.06 0.00 -0.27 0.00 0.00 62.75 62.35 3kpk n ILE 248 Cb 0.40 0.61 -0.02 0.00 -1.74 0.00 0.00 39.64 38.90 3kpk n ILE 248 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 3kpk s LYS 249 N -1.77 1.10 -0.02 6.28 -2.85 -1.05 -5.00 119.74 116.43 3kpk s LYS 249 Ca 0.00 -0.52 0.05 0.00 -1.00 0.00 0.00 55.97 54.49 3kpk s LYS 249 Cb 0.00 0.43 -0.01 0.00 -2.06 0.00 0.00 37.83 36.19 3kpk s LYS 249 CO 0.00 -0.49 -0.16 -1.21 0.10 0.00 0.00 175.35 173.59 3kpk s GLU 250 N -3.31 1.33 0.11 1.78 2.02 -1.26 -0.78 118.70 118.59 3kpk s GLU 250 Ca 0.08 -0.56 0.06 0.00 0.02 0.00 0.00 54.97 54.57 3kpk s GLU 250 Cb -0.01 -1.27 -0.04 0.00 0.10 0.00 0.00 34.13 32.91 3kpk s GLU 250 CO -0.03 0.32 -0.15 -1.64 0.02 0.00 0.00 175.26 173.78 3kpk s MET 251 N -0.31 1.01 -0.22 1.61 -1.94 0.43 -4.99 119.30 114.89 3kpk s MET 251 Ca 0.05 -1.19 0.01 0.00 -1.71 0.00 0.00 55.69 52.84 3kpk s MET 251 Cb -0.07 -0.95 0.05 0.00 2.01 0.00 0.00 34.83 35.87 3kpk s MET 251 CO -0.00 0.19 -0.07 0.08 -0.01 0.00 0.00 175.02 175.21 3kpk s VAL 252 N -1.90 1.53 -0.17 -6.03 1.01 -1.26 -1.38 120.40 112.20 3kpk s VAL 252 Ca 0.07 -1.10 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 3kpk s VAL 252 Cb -0.06 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 3kpk s VAL 252 CO 0.03 0.00 -0.09 -0.76 0.00 0.00 0.00 175.10 174.29 3kpk s LEU 253 N 1.42 2.81 0.44 3.92 1.43 -0.54 -4.93 118.68 123.23 3kpk s LEU 253 Ca -0.04 -0.35 -0.21 0.00 -1.03 0.00 0.00 54.13 52.50 3kpk s LEU 253 Cb -0.18 -1.68 -0.10 0.00 0.03 0.00 0.00 46.19 44.27 3kpk s LEU 253 CO -0.07 0.08 0.98 -2.16 0.23 0.00 0.00 176.35 175.41 3kpk s PRO 254 N 0.88 4.13 -0.08 1.29 0.04 -1.26 0.11 135.00 140.10 3kpk s PRO 254 Ca -0.02 1.23 -0.01 0.00 0.04 0.00 0.00 61.00 62.24 3kpk s PRO 254 Cb -0.15 -2.22 0.03 0.00 0.04 0.00 0.00 34.50 32.20 3kpk s PRO 254 CO 0.00 -0.13 -0.02 0.08 0.04 0.00 0.00 177.00 176.97 3kpk s VAL 255 N -2.05 0.58 -0.11 -0.36 1.01 -0.34 -4.73 120.40 114.40 3kpk s VAL 255 Ca 0.62 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.62 3kpk s VAL 255 Cb -0.13 -0.69 -0.24 0.00 0.00 0.00 0.00 36.38 35.32 3kpk s VAL 255 CO 0.17 0.29 0.41 1.17 0.00 0.00 0.00 175.10 177.14 3kpk n LYS 256 N 5.04 0.70 -3.70 2.72 3.00 -0.15 -4.86 118.16 120.90 3kpk n LYS 256 Ca -0.09 0.25 -0.17 0.00 -0.00 0.00 0.00 58.31 58.29 3kpk n LYS 256 Cb 0.50 -1.71 -0.17 0.00 0.00 0.00 0.00 35.03 33.65 3kpk n LYS 256 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 3kpk s PHE 257 N -2.57 -0.02 0.03 5.64 2.19 -1.12 -4.84 117.98 117.29 3kpk s PHE 257 Ca -0.16 0.32 0.01 0.00 0.33 0.00 0.00 56.93 57.43 3kpk s PHE 257 Cb 0.07 -0.33 -0.02 0.00 -1.31 0.00 0.00 43.02 41.43 3kpk s PHE 257 CO 0.78 -0.18 -0.05 0.20 1.83 0.00 0.00 175.22 177.81 3kpk s GLY 258 N 1.79 0.37 -0.17 13.12 0.00 -1.04 -1.33 107.32 120.06 3kpk s GLY 258 Ca -0.01 -0.71 -0.04 0.00 0.00 0.00 0.00 44.72 43.97 3kpk s GLY 258 CO -0.04 -0.77 0.24 -0.29 0.00 0.00 0.00 173.10 172.24 3kpk s MET 259 N -1.68 0.17 -0.11 2.90 0.00 -0.31 0.96 119.30 121.23 3kpk s MET 259 Ca -0.12 0.44 0.02 0.00 0.00 0.00 0.00 55.69 56.04 3kpk s MET 259 Cb -0.09 -0.67 0.01 0.00 0.00 0.00 0.00 34.83 34.08 3kpk s MET 259 CO -0.01 -0.49 -0.17 -1.64 0.00 0.00 0.00 175.02 172.71 3kpk s MET 260 N 2.37 2.40 -0.00 4.11 -1.94 -1.09 -1.07 119.30 124.07 3kpk s MET 260 Ca 0.05 -0.63 -0.30 0.00 -1.71 0.00 0.00 55.69 53.10 3kpk s MET 260 Cb -0.14 -1.97 -0.06 0.00 2.01 0.00 0.00 34.83 34.67 3kpk s MET 260 CO -0.10 -0.01 1.50 0.42 -0.01 0.00 0.00 175.02 176.82 3kpk s ILE 261 N 0.84 3.55 0.70 2.53 -1.09 -0.16 -4.78 121.20 122.78 3kpk s ILE 261 Ca -0.09 0.90 -0.09 0.00 -2.23 0.00 0.00 60.65 59.13 3kpk s ILE 261 Cb -0.16 -3.58 0.04 0.00 -1.58 0.00 0.00 42.46 37.19 3kpk s ILE 261 CO 0.00 -0.02 1.04 -2.16 -1.23 0.00 0.00 174.94 172.58 3kpk s PRO 262 N 2.84 2.55 0.58 2.79 0.04 -1.26 -0.61 135.00 141.92 3kpk s PRO 262 Ca 0.68 0.11 -0.20 0.00 0.04 0.00 0.00 61.00 61.63 3kpk s PRO 262 Cb -0.33 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 3kpk s PRO 262 CO 0.28 -1.11 1.25 0.00 0.04 0.00 0.00 177.00 177.46 3kpk s ALA 263 N -3.28 2.60 -0.06 8.56 0.00 -1.26 -4.50 121.76 123.83 3kpk s ALA 263 Ca 0.58 1.11 -0.04 0.00 0.00 0.00 0.00 51.96 53.61 3kpk s ALA 263 Cb -0.11 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 3kpk s ALA 263 CO 0.48 -1.24 0.13 -0.06 0.00 0.00 0.00 175.76 175.07 3kpk s PHE 264 N -1.49 3.49 0.40 0.00 0.08 -1.26 -1.28 117.98 117.91 3kpk s PHE 264 Ca 0.76 0.38 0.04 0.00 0.12 0.00 0.00 56.93 58.23 3kpk s PHE 264 Cb -0.34 -1.85 -0.03 0.00 -0.57 0.00 0.00 43.02 40.23 3kpk s PHE 264 CO 0.37 0.65 0.12 0.15 -0.10 0.00 0.00 175.22 176.41 3kpk s LYS 265 N -1.46 1.89 0.55 0.44 1.02 -0.28 -4.93 119.74 116.98 3kpk s LYS 265 Ca 0.21 -2.14 -0.17 0.00 0.02 0.00 0.00 55.97 53.88 3kpk s LYS 265 Cb -0.12 -0.64 -0.06 0.00 -0.52 0.00 0.00 37.83 36.49 3kpk s LYS 265 CO 0.11 -0.44 1.05 0.20 -0.92 0.00 0.00 175.35 175.34 3kpk s GLY 266 N -3.59 2.25 0.55 -3.33 0.00 -0.26 0.26 107.32 103.20 3kpk s GLY 266 Ca 0.25 0.45 -0.20 0.00 0.00 0.00 0.00 44.72 45.23 3kpk s GLY 266 CO 0.14 0.76 1.16 -1.34 0.00 0.00 0.00 173.10 173.82 3kpk s VAL 267 N -2.31 3.00 0.27 1.40 -7.23 -1.26 -4.40 120.40 109.86 3kpk s VAL 267 Ca 0.64 0.63 -0.02 0.00 -1.81 0.00 0.00 61.98 61.43 3kpk s VAL 267 Cb -0.16 -3.26 0.27 0.00 0.56 0.00 0.00 36.38 33.79 3kpk s VAL 267 CO 0.31 -0.12 1.87 -0.65 -0.31 0.00 0.00 175.10 176.20 3kpk h PRO 268 N 1.18 1.09 0.00 4.82 0.11 -1.96 0.39 132.00 137.63 3kpk h PRO 268 Ca -0.50 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.53 3kpk h PRO 268 Cb 1.27 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3kpk h PRO 268 CO 0.57 0.72 -0.08 0.00 -0.21 0.00 0.00 178.00 179.00 3kpk h ALA 269 N 1.47 1.71 0.03 -0.75 0.00 -1.83 0.14 119.26 120.03 3kpk h ALA 269 Ca 0.44 -0.07 -0.27 0.00 0.00 0.00 0.00 54.91 55.01 3kpk h ALA 269 Cb 0.24 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3kpk h ALA 269 CO -0.19 0.10 -1.44 0.28 0.00 0.00 0.00 179.25 177.99 3kpk h VAL 270 N 0.00 0.84 -0.08 0.00 2.07 -1.64 -3.34 116.25 114.10 3kpk h VAL 270 Ca -0.00 -2.22 0.02 0.00 0.82 0.00 0.00 66.70 65.33 3kpk h VAL 270 Cb 0.16 2.28 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3kpk h VAL 270 CO 0.01 0.45 0.07 0.00 0.02 0.00 0.00 177.57 178.12 3kpk h ALA 271 N -0.36 1.83 0.00 1.67 0.00 -0.81 -1.35 119.26 120.24 3kpk h ALA 271 Ca -0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3kpk h ALA 271 Cb 1.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3kpk h ALA 271 CO -0.14 -0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.41 3kpk n GLY 272 N -1.44 -1.20 3.62 0.00 0.00 0.49 -4.70 105.19 101.96 3kpk n GLY 272 Ca -0.01 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 3kpk n GLY 272 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kpk s VAL 273 N -2.86 4.28 -0.05 1.61 1.01 -0.51 -4.94 120.40 118.95 3kpk s VAL 273 Ca 0.15 1.40 -0.34 0.00 0.00 0.00 0.00 61.98 63.18 3kpk s VAL 273 Cb 0.15 -4.43 -0.12 0.00 0.00 0.00 0.00 36.38 31.98 3kpk s VAL 273 CO 0.39 -0.71 1.81 1.21 0.00 0.00 0.00 175.10 177.80 3kpk n GLU 274 N 7.42 2.11 -1.00 2.72 2.13 -1.26 -1.60 120.64 131.15 3kpk n GLU 274 Ca 0.13 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.72 3kpk n GLU 274 Cb 0.48 -2.59 0.00 0.00 0.27 0.00 0.00 31.44 29.60 3kpk n GLU 274 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kpk n GLY 275 N 4.17 0.91 0.08 8.31 0.00 -1.26 -4.89 105.19 112.51 3kpk n GLY 275 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 3kpk n GLY 275 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kpk h LEU 276 N 0.00 0.16 -9.19 0.99 5.85 -1.65 -3.44 115.31 108.03 3kpk h LEU 276 Ca 0.00 -0.18 -0.53 0.00 0.84 0.00 0.00 57.88 58.00 3kpk h LEU 276 Cb 0.00 -0.05 -0.14 0.00 0.37 0.00 0.00 40.66 40.84 3kpk h LEU 276 CO 0.00 1.14 -0.69 0.00 -0.34 0.00 0.00 178.44 178.55 3kpk s ASN 278 N -3.48 1.98 0.57 0.00 2.20 0.05 -4.87 114.94 111.39 3kpk s ASN 278 Ca 0.29 0.36 0.36 0.00 -0.94 0.00 0.00 52.86 52.93 3kpk s ASN 278 Cb 0.02 -0.43 1.61 0.00 -2.00 0.00 0.00 41.25 40.44 3kpk s ASN 278 CO 0.13 -3.44 2.06 -0.65 -2.94 0.00 0.00 177.10 172.26 3kpk h PRO 279 N -2.12 0.00 0.00 3.55 0.11 -2.01 -0.91 132.00 130.62 3kpk h PRO 279 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3kpk h PRO 279 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kpk h PRO 279 CO 0.33 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.53 3kpk n GLY 280 N -0.24 -1.10 1.01 -0.55 0.00 -1.26 -4.89 105.19 98.15 3kpk n GLY 280 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3kpk n GLY 280 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kpk n GLY 281 N 0.88 0.72 3.78 -0.02 0.00 -0.35 -1.10 105.19 109.10 3kpk n GLY 281 Ca 0.13 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 3kpk n GLY 281 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kpk s PHE 282 N -2.00 3.62 0.03 1.61 0.08 -1.26 -3.72 117.98 116.34 3kpk s PHE 282 Ca 0.00 0.90 -0.30 0.00 0.12 0.00 0.00 56.93 57.64 3kpk s PHE 282 Cb 0.00 -2.38 -0.06 0.00 -0.57 0.00 0.00 43.02 40.01 3kpk s PHE 282 CO 0.00 0.43 1.42 0.08 -0.10 0.00 0.00 175.22 177.05 3kpk s VAL 283 N -0.30 3.58 -0.44 -0.44 1.01 -0.08 -0.77 120.40 122.96 3kpk s VAL 283 Ca 0.23 1.02 -0.27 0.00 0.00 0.00 0.00 61.98 62.96 3kpk s VAL 283 Cb -0.16 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.60 3kpk s VAL 283 CO 0.11 0.01 1.02 -0.76 0.00 0.00 0.00 175.10 175.48 3kpk s LEU 284 N 2.15 3.85 0.21 3.92 1.43 -0.92 -0.53 118.68 128.80 3kpk s LEU 284 Ca 0.65 0.39 0.11 0.00 -1.03 0.00 0.00 54.13 54.25 3kpk s LEU 284 Cb -0.33 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 3kpk s LEU 284 CO 0.28 -1.09 -0.20 0.68 0.23 0.00 0.00 176.35 176.25 3kpk s VAL 285 N 3.98 2.53 0.60 -1.59 -7.23 -1.26 -0.85 120.40 116.58 3kpk s VAL 285 Ca 0.42 -2.05 -0.09 0.00 -1.81 0.00 0.00 61.98 58.46 3kpk s VAL 285 Cb -0.09 -2.25 0.14 0.00 0.56 0.00 0.00 36.38 34.73 3kpk s VAL 285 CO 0.27 -0.18 0.82 -0.90 -0.31 0.00 0.00 175.10 174.79 3kpk n ASP 286 N 0.02 0.23 0.00 4.85 3.85 0.01 -4.85 116.55 120.66 3kpk n ASP 286 Ca -0.11 -1.39 0.06 0.00 -0.71 0.00 0.00 54.79 52.64 3kpk n ASP 286 Cb 0.57 -0.61 0.28 0.00 -1.35 0.00 0.00 41.12 40.01 3kpk n ASP 286 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 3kpk n GLU 287 N -2.70 0.03 -0.41 0.11 0.28 -1.26 -1.25 120.64 115.43 3kpk n GLU 287 Ca 0.11 0.27 0.11 0.00 -0.16 0.00 0.00 57.16 57.49 3kpk n GLU 287 Cb 0.37 -1.50 0.33 0.00 1.43 0.00 0.00 31.44 32.07 3kpk n GLU 287 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3kpk n HIS 288 N -1.47 1.06 -1.00 -1.84 8.25 -1.26 -3.63 115.22 115.33 3kpk n HIS 288 Ca 0.03 -0.50 0.00 0.00 -0.26 0.00 0.00 57.72 56.99 3kpk n HIS 288 Cb 0.14 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.21 3kpk n HIS 288 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3kpk n GLN 289 N 1.54 -0.73 -3.09 -0.41 1.13 -0.38 -4.39 117.38 111.05 3kpk n GLN 289 Ca 0.25 0.18 -0.39 0.00 -1.94 0.00 0.00 57.00 55.09 3kpk n GLN 289 Cb 0.66 -3.73 -0.05 0.00 0.11 0.00 0.00 30.24 27.23 3kpk n GLN 289 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 3kpk s ARG 290 N -0.73 4.41 0.30 -1.09 3.52 -1.26 -1.25 118.95 122.85 3kpk s ARG 290 Ca 0.00 0.88 -0.29 0.00 -0.13 0.00 0.00 55.73 56.20 3kpk s ARG 290 Cb 0.00 -3.37 -0.13 0.00 -1.56 0.00 0.00 34.95 29.88 3kpk s ARG 290 CO 0.00 0.27 1.19 0.45 -0.81 0.00 0.00 175.30 176.41 3kpk n SER 291 N 2.98 2.12 0.27 -2.12 2.88 0.11 -0.81 113.62 119.05 3kpk n SER 291 Ca -0.04 1.18 0.16 0.00 -1.33 0.00 0.00 58.87 58.85 3kpk n SER 291 Cb 0.51 -1.39 0.60 0.00 -0.75 0.00 0.00 64.21 63.18 3kpk n SER 291 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3kpk h LYS 292 N 2.64 0.00 0.01 -1.46 1.57 -1.32 -3.31 116.57 114.69 3kpk h LYS 292 Ca -0.43 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 57.96 3kpk h LYS 292 Cb 1.31 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.55 3kpk h LYS 292 CO 0.64 0.00 -2.45 1.17 -0.57 0.00 0.00 179.45 178.24 3kpk n LYS 293 N -3.07 0.66 -3.98 3.15 4.81 -1.26 -4.93 118.16 113.53 3kpk n LYS 293 Ca 0.01 0.15 -0.34 0.00 -0.87 0.00 0.00 58.31 57.26 3kpk n LYS 293 Cb 0.34 -1.53 -0.15 0.00 0.02 0.00 0.00 35.03 33.72 3kpk n LYS 293 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3kpk s TYR 294 N -2.52 3.05 0.53 5.64 1.51 -1.25 -4.98 117.35 119.34 3kpk s TYR 294 Ca -0.33 -1.60 0.26 0.00 -1.01 0.00 0.00 57.07 54.39 3kpk s TYR 294 Cb 0.09 -2.04 1.62 0.00 -0.11 0.00 0.00 41.96 41.52 3kpk s TYR 294 CO 0.62 -0.74 2.19 0.00 -1.11 0.00 0.00 175.55 176.51 3kpk h ALA 295 N 7.99 1.55 -0.68 3.71 0.00 -1.92 -1.61 119.26 128.30 3kpk h ALA 295 Ca -0.33 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3kpk h ALA 295 Cb 1.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3kpk h ALA 295 CO 0.57 0.05 0.00 0.27 0.00 0.00 0.00 179.25 180.14 3kpk n ASN 296 N -3.93 4.44 -4.36 0.00 2.04 -1.26 -4.84 115.26 107.36 3kpk n ASN 296 Ca -0.03 -2.28 -0.34 0.00 -0.44 0.00 0.00 54.58 51.50 3kpk n ASN 296 Cb 0.13 -0.54 -0.14 0.00 -2.53 0.00 0.00 39.78 36.70 3kpk n ASN 296 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 3kpk s ILE 297 N -1.52 3.30 0.42 1.53 1.01 -0.61 -1.17 121.20 124.16 3kpk s ILE 297 Ca 0.50 -0.55 0.07 0.00 0.00 0.00 0.00 60.65 60.68 3kpk s ILE 297 Cb 0.30 -2.45 -0.06 0.00 0.01 0.00 0.00 42.46 40.27 3kpk s ILE 297 CO 0.28 0.48 0.14 -0.36 0.00 0.00 0.00 174.94 175.48 3kpk s PHE 298 N 0.83 2.56 0.03 3.97 0.08 0.21 0.10 117.98 125.76 3kpk s PHE 298 Ca -0.02 -0.62 -0.24 0.00 0.12 0.00 0.00 56.93 56.17 3kpk s PHE 298 Cb -0.15 -1.92 0.06 0.00 -0.57 0.00 0.00 43.02 40.44 3kpk s PHE 298 CO 0.01 0.23 0.55 0.00 -0.10 0.00 0.00 175.22 175.92 3kpk s ALA 299 N -2.63 -1.43 -0.00 5.36 0.00 -0.38 -0.35 121.76 122.33 3kpk s ALA 299 Ca 0.39 0.75 -0.21 0.00 0.00 0.00 0.00 51.96 52.88 3kpk s ALA 299 Cb 0.05 0.32 0.04 0.00 0.00 0.00 0.00 23.12 23.53 3kpk s ALA 299 CO 0.21 -0.48 0.47 0.00 0.00 0.00 0.00 175.76 175.96 3kpk s ALA 300 N -2.19 -1.20 0.00 0.00 0.00 -0.60 -4.79 121.76 112.98 3kpk s ALA 300 Ca -0.07 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.54 3kpk s ALA 300 Cb -0.01 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.27 3kpk s ALA 300 CO 0.00 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.80 3kpk n GLY 301 N 0.87 -1.85 0.32 0.00 0.00 -1.26 -4.20 105.19 99.07 3kpk n GLY 301 Ca -0.20 -1.91 0.14 0.00 0.00 0.00 0.00 46.02 44.05 3kpk n GLY 301 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kpk h ILE 302 N 0.00 0.76 -0.08 -0.61 2.04 -1.90 -2.77 117.51 114.94 3kpk h ILE 302 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 3kpk h ILE 302 Cb 0.00 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3kpk h ILE 302 CO 0.00 0.00 0.11 0.00 0.00 0.00 0.00 178.15 178.26 3kpk h ALA 303 N 1.87 1.59 -2.26 1.87 0.00 -1.73 -3.43 119.26 117.16 3kpk h ALA 303 Ca 0.09 -0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.52 3kpk h ALA 303 Cb 0.41 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3kpk h ALA 303 CO -0.00 -0.15 0.24 0.96 0.00 0.00 0.00 179.25 180.30 3kpk s ILE 304 N -4.56 4.66 -0.04 0.00 -4.36 -1.05 -0.90 121.20 114.96 3kpk s ILE 304 Ca -0.05 0.91 -0.28 0.00 -0.26 0.00 0.00 60.65 60.97 3kpk s ILE 304 Cb 0.15 -3.72 -0.03 0.00 1.25 0.00 0.00 42.46 40.10 3kpk s ILE 304 CO 0.52 -0.59 0.89 0.00 0.24 0.00 0.00 174.94 176.00 3kpk s ALA 305 N -2.48 3.25 -0.17 2.27 0.00 0.32 -4.65 121.76 120.29 3kpk s ALA 305 Ca 0.55 0.38 -0.00 0.00 0.00 0.00 0.00 51.96 52.89 3kpk s ALA 305 Cb -0.10 -3.23 0.04 0.00 0.00 0.00 0.00 23.12 19.83 3kpk s ALA 305 CO 0.31 -0.24 -0.07 0.42 0.00 0.00 0.00 175.76 176.18 3kpk s ILE 306 N 1.09 1.26 0.55 0.00 1.01 -1.26 -4.74 121.20 119.10 3kpk s ILE 306 Ca 0.47 -0.73 -0.21 0.00 0.00 0.00 0.00 60.65 60.18 3kpk s ILE 306 Cb -0.20 -1.40 -0.05 0.00 0.01 0.00 0.00 42.46 40.82 3kpk s ILE 306 CO 0.24 0.15 1.23 -2.65 0.00 0.00 0.00 174.94 173.90 3kpk n PRO 307 N 4.82 1.45 -2.03 2.79 -0.02 -1.26 -4.96 135.00 135.80 3kpk n PRO 307 Ca -0.13 0.54 -0.33 0.00 -2.02 0.00 0.00 63.50 61.56 3kpk n PRO 307 Cb 0.47 -2.42 0.02 0.00 -0.02 0.00 0.00 33.50 31.55 3kpk n PRO 307 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3kpk s PRO 308 N -2.77 3.22 0.00 0.52 0.02 -1.26 -4.96 135.00 129.77 3kpk s PRO 308 Ca 0.72 1.31 0.10 0.00 0.02 0.00 0.00 61.00 63.15 3kpk s PRO 308 Cb -0.43 -2.01 -0.06 0.00 0.02 0.00 0.00 34.50 32.02 3kpk s PRO 308 CO 0.49 -0.90 0.51 1.33 -0.33 0.00 0.00 177.00 178.10 3kpk n VAL 309 N -1.98 0.00 -3.94 3.83 0.24 -1.26 -5.01 118.33 110.21 3kpk n VAL 309 Ca 0.09 -0.33 -0.09 0.00 -2.04 0.00 0.00 64.34 61.98 3kpk n VAL 309 Cb 0.52 1.05 -0.10 0.00 -1.47 0.00 0.00 33.84 33.85 3kpk n VAL 309 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3kpk s GLU 310 N -1.67 0.56 -0.32 7.34 2.12 -1.26 -5.12 118.70 120.35 3kpk s GLU 310 Ca 0.06 -0.76 0.01 0.00 0.36 0.00 0.00 54.97 54.64 3kpk s GLU 310 Cb 0.08 0.22 0.10 0.00 0.26 0.00 0.00 34.13 34.78 3kpk s GLU 310 CO 0.33 -0.13 0.08 -0.08 -0.54 0.00 0.00 175.26 174.92 3kpk s THR 311 N -2.54 1.38 0.48 -1.70 -1.32 -1.26 -5.00 115.64 105.68 3kpk s THR 311 Ca -0.06 -1.72 -0.12 0.00 -1.21 0.00 0.00 61.69 58.58 3kpk s THR 311 Cb -0.02 -2.02 -0.06 0.00 -1.51 0.00 0.00 72.50 68.89 3kpk s THR 311 CO -0.04 -0.64 0.88 0.42 -2.21 0.00 0.00 174.62 173.03 3kpk s THR 312 N 1.36 4.71 0.21 5.08 -4.23 -1.26 -4.98 115.64 116.53 3kpk s THR 312 Ca 0.10 0.80 -0.12 0.00 -1.18 0.00 0.00 61.69 61.29 3kpk s THR 312 Cb -0.18 -3.76 0.20 0.00 1.34 0.00 0.00 72.50 70.09 3kpk s THR 312 CO -0.19 -0.70 1.65 -0.65 -0.54 0.00 0.00 174.62 174.19 3kpk h PRO 313 N 0.80 0.06 -5.43 3.99 0.11 -1.89 -3.33 132.00 126.32 3kpk h PRO 313 Ca -0.47 -0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.01 3kpk h PRO 313 Cb 1.19 -0.01 -0.13 0.00 0.11 0.00 0.00 31.00 32.16 3kpk h PRO 313 CO 0.63 0.04 -0.53 0.08 -0.21 0.00 0.00 178.00 178.01 3kpk s VAL 314 N -6.18 5.10 -0.03 3.15 1.01 -1.26 -4.75 120.40 117.44 3kpk s VAL 314 Ca -0.14 0.07 -0.39 0.00 0.00 0.00 0.00 61.98 61.53 3kpk s VAL 314 Cb 0.18 -3.27 -0.17 0.00 0.00 0.00 0.00 36.38 33.12 3kpk s VAL 314 CO 0.73 0.51 1.38 -2.65 0.00 0.00 0.00 175.10 175.07 3kpk n PRO 315 N 3.03 0.87 -4.15 2.72 -0.02 -1.25 -4.82 135.00 131.38 3kpk n PRO 315 Ca -0.17 0.32 -0.10 0.00 -2.02 0.00 0.00 63.50 61.53 3kpk n PRO 315 Cb 0.53 -1.93 -0.10 0.00 -0.02 0.00 0.00 33.50 31.98 3kpk n PRO 315 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3kpk s THR 316 N 1.11 0.56 0.26 3.45 -4.23 -1.26 0.13 115.64 115.66 3kpk s THR 316 Ca 0.89 -1.90 0.09 0.00 -1.18 0.00 0.00 61.69 59.59 3kpk s THR 316 Cb -1.06 -1.63 -0.05 0.00 1.34 0.00 0.00 72.50 71.09 3kpk s THR 316 CO 0.54 -0.91 -0.13 -0.83 -0.54 0.00 0.00 174.62 172.76 3kpk s GLY 317 N -3.00 1.75 0.03 3.99 0.00 -0.05 -4.88 107.32 105.16 3kpk s GLY 317 Ca 0.10 -1.84 -0.19 0.00 0.00 0.00 0.00 44.72 42.80 3kpk s GLY 317 CO -0.06 -1.87 0.54 0.00 0.00 0.00 0.00 173.10 171.71 3kpk s ALA 318 N -2.83 3.58 0.50 3.20 0.00 -1.26 -4.25 121.76 120.70 3kpk s ALA 318 Ca 0.28 -0.03 -0.20 0.00 0.00 0.00 0.00 51.96 52.00 3kpk s ALA 318 Cb -0.00 -2.61 -0.08 0.00 0.00 0.00 0.00 23.12 20.44 3kpk s ALA 318 CO 0.11 0.35 1.07 -1.25 0.00 0.00 0.00 175.76 176.05 3kpk s PRO 319 N -0.83 3.67 -0.22 0.00 0.04 -1.21 -4.90 135.00 131.56 3kpk s PRO 319 Ca 0.28 1.47 -0.05 0.00 0.04 0.00 0.00 61.00 62.74 3kpk s PRO 319 Cb -0.18 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 3kpk s PRO 319 CO 0.17 -0.56 -0.01 0.15 0.04 0.00 0.00 177.00 176.79 3kpk s LYS 320 N -3.19 3.50 0.42 4.56 1.02 -1.26 -4.92 119.74 119.87 3kpk s LYS 320 Ca 0.68 -0.57 0.05 0.00 0.02 0.00 0.00 55.97 56.16 3kpk s LYS 320 Cb -0.20 -3.08 -0.06 0.00 -0.52 0.00 0.00 37.83 33.97 3kpk s LYS 320 CO 0.23 -0.13 0.02 0.95 -0.92 0.00 0.00 175.35 175.50 3kpk s THR 321 N 1.35 1.66 0.15 2.17 -4.23 -1.26 -4.89 115.64 110.58 3kpk s THR 321 Ca 0.04 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.40 3kpk s THR 321 Cb -0.15 -2.77 0.02 0.00 1.34 0.00 0.00 72.50 70.94 3kpk s THR 321 CO -0.00 0.00 1.75 1.23 -0.54 0.00 0.00 174.62 177.06 3kpk h GLY 322 N 1.73 0.67 0.93 3.99 0.00 -1.96 -0.38 103.07 108.05 3kpk h GLY 322 Ca -0.43 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 46.53 3kpk h GLY 322 CO 0.77 0.30 0.01 -1.82 0.00 0.00 0.00 176.54 175.80 3kpk h TYR 323 N 0.58 0.72 -0.67 5.60 3.20 -1.95 -1.55 116.97 122.90 3kpk h TYR 323 Ca 0.16 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 3kpk h TYR 323 Cb 0.07 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 3kpk h TYR 323 CO -0.02 0.75 0.21 1.98 -1.64 0.00 0.00 178.16 179.44 3kpk h MET 324 N 0.49 1.02 -0.27 1.82 4.05 -1.77 -2.19 114.93 118.09 3kpk h MET 324 Ca 0.11 -0.20 0.01 0.00 -0.28 0.00 0.00 59.70 59.34 3kpk h MET 324 Cb 0.45 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.08 3kpk h MET 324 CO 0.02 0.87 0.15 0.82 0.23 0.00 0.00 176.91 179.00 3kpk h ILE 325 N 0.99 1.02 -0.69 1.77 2.04 -0.83 -0.85 117.51 120.96 3kpk h ILE 325 Ca 0.22 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 3kpk h ILE 325 Cb 0.28 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 3kpk h ILE 325 CO -0.01 0.06 0.33 -0.08 0.00 0.00 0.00 178.15 178.45 3kpk h GLU 326 N 0.31 0.99 -0.72 2.37 4.57 -1.10 -0.16 114.58 120.84 3kpk h GLU 326 Ca 0.11 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 3kpk h GLU 326 Cb 0.01 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.38 3kpk h GLU 326 CO -0.06 0.76 0.39 1.03 -1.18 0.00 0.00 179.01 179.95 3kpk h SER 327 N 0.98 0.89 -0.38 1.04 0.87 -1.00 0.14 113.55 116.09 3kpk h SER 327 Ca 0.24 -0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 3kpk h SER 327 Cb 0.10 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 3kpk h SER 327 CO -0.03 0.72 0.06 0.24 -0.53 0.00 0.00 176.83 177.30 3kpk h MET 328 N 1.00 0.63 -0.29 2.24 2.86 0.06 -2.34 114.93 119.09 3kpk h MET 328 Ca 0.25 -0.17 0.02 0.00 -2.06 0.00 0.00 59.70 57.74 3kpk h MET 328 Cb 0.04 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 3kpk h MET 328 CO -0.04 0.69 0.16 0.28 1.06 0.00 0.00 176.91 179.05 3kpk h VAL 329 N 0.48 1.01 -0.73 -2.22 2.07 -0.43 -1.49 116.25 114.94 3kpk h VAL 329 Ca 0.12 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.53 3kpk h VAL 329 Cb 0.36 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3kpk h VAL 329 CO 0.01 0.06 0.48 -1.28 0.02 0.00 0.00 177.57 176.85 3kpk h SER 330 N 0.33 0.84 -0.40 0.57 0.87 -0.67 -1.71 113.55 113.37 3kpk h SER 330 Ca 0.12 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 3kpk h SER 330 Cb 0.02 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 3kpk h SER 330 CO -0.07 0.62 0.10 0.00 -0.53 0.00 0.00 176.83 176.95 3kpk h ALA 331 N 1.26 0.53 -0.44 6.23 0.00 -1.21 -2.40 119.26 123.24 3kpk h ALA 331 Ca 0.27 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3kpk h ALA 331 Cb -0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3kpk h ALA 331 CO -0.06 0.20 0.25 0.00 0.00 0.00 0.00 179.25 179.65 3kpk h ALA 332 N 0.95 0.55 -0.14 0.00 0.00 -0.80 -0.51 119.26 119.31 3kpk h ALA 332 Ca 0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3kpk h ALA 332 Cb 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3kpk h ALA 332 CO 0.00 -0.08 0.05 0.28 0.00 0.00 0.00 179.25 179.50 3kpk h VAL 333 N 0.50 1.17 -0.58 0.00 2.07 -1.28 -0.95 116.25 117.18 3kpk h VAL 333 Ca 0.18 -0.53 0.06 0.00 0.82 0.00 0.00 66.70 67.23 3kpk h VAL 333 Cb 0.03 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 3kpk h VAL 333 CO -0.09 0.16 0.28 -0.74 0.02 0.00 0.00 177.57 177.20 3kpk h HIS 334 N 0.05 0.51 -0.03 1.57 6.17 -1.23 -1.46 115.15 120.73 3kpk h HIS 334 Ca 0.05 0.02 -0.16 0.00 0.71 0.00 0.00 60.37 60.99 3kpk h HIS 334 Cb 0.21 -0.14 -0.01 0.00 2.52 0.00 0.00 27.41 29.98 3kpk h HIS 334 CO -0.00 0.22 -0.71 -0.91 0.71 0.00 0.00 177.93 177.24 3kpk h ASN 335 N 0.53 0.19 -0.26 3.26 -0.26 -0.88 -0.69 115.58 117.47 3kpk h ASN 335 Ca 0.27 -0.13 -0.07 0.00 -0.56 0.00 0.00 56.30 55.81 3kpk h ASN 335 Cb 0.22 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.41 3kpk h ASN 335 CO -0.20 0.84 -0.12 0.40 -1.06 0.00 0.00 177.43 177.28 3kpk h ILE 336 N 0.11 1.30 -0.95 2.81 2.04 -1.07 -1.53 117.51 120.22 3kpk h ILE 336 Ca -0.02 -1.20 0.07 0.00 1.00 0.00 0.00 64.86 64.71 3kpk h ILE 336 Cb 1.26 1.53 -0.07 0.00 -0.74 0.00 0.00 36.82 38.80 3kpk h ILE 336 CO 0.10 0.38 0.60 0.50 0.00 0.00 0.00 178.15 179.73 3kpk h LYS 337 N 0.28 1.03 -0.71 2.37 3.64 -1.05 0.00 116.57 122.13 3kpk h LYS 337 Ca 0.06 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 3kpk h LYS 337 Cb 0.63 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 3kpk h LYS 337 CO 0.04 0.68 0.22 0.00 -2.27 0.00 0.00 179.45 178.12 3kpk h ALA 338 N 1.45 1.05 -0.29 5.00 0.00 -0.96 -2.47 119.26 123.05 3kpk h ALA 338 Ca 0.42 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3kpk h ALA 338 Cb 0.22 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3kpk h ALA 338 CO -0.19 0.64 0.19 -0.44 0.00 0.00 0.00 179.25 179.45 3kpk h ASP 339 N 1.05 0.34 0.00 0.00 5.19 -0.16 -1.45 116.42 121.39 3kpk h ASP 339 Ca 0.23 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 3kpk h ASP 339 Cb 0.30 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.72 3kpk h ASP 339 CO -0.01 0.27 0.00 0.18 -3.12 0.00 0.00 179.24 176.56 3kpk n LEU 340 N -4.87 0.00 -0.21 1.55 4.77 -0.14 -2.59 117.00 115.51 3kpk n LEU 340 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3kpk n LEU 340 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3kpk n LEU 340 CO 0.34 0.00 0.26 -0.62 -1.33 0.00 0.00 177.39 176.04 3kpk n GLU 341 N -0.79 0.05 0.00 3.23 1.02 -0.64 -5.06 120.64 118.45 3kpk n GLU 341 Ca 0.04 -0.74 0.00 0.00 -0.02 0.00 0.00 57.16 56.44 3kpk n GLU 341 Cb 0.02 -0.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.92 3kpk n GLU 341 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kpk n GLY 342 N -0.02 3.04 3.73 0.62 0.00 -0.66 -5.02 105.19 106.88 3kpk n GLY 342 Ca 0.00 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 3kpk n GLY 342 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kpk s ARG 343 N 0.00 1.66 -0.33 1.61 3.00 -0.76 -4.86 118.95 119.28 3kpk s ARG 343 Ca 0.00 1.07 -0.16 0.00 0.00 0.00 0.00 55.73 56.64 3kpk s ARG 343 Cb 0.00 -1.84 -0.01 0.00 0.00 0.00 0.00 34.95 33.10 3kpk s ARG 343 CO 0.00 -2.03 0.43 0.21 0.00 0.00 0.00 175.30 173.91 3kpk s LYS 344 N -4.88 3.67 0.42 3.54 2.20 -1.26 -2.99 119.74 120.44 3kpk s LYS 344 Ca 0.63 -0.22 -0.25 0.00 -0.36 0.00 0.00 55.97 55.76 3kpk s LYS 344 Cb -0.18 -3.78 -0.10 0.00 -1.51 0.00 0.00 37.83 32.26 3kpk s LYS 344 CO 0.57 -0.53 1.15 0.41 -0.36 0.00 0.00 175.35 176.59 3kpk n GLY 345 N 4.83 0.18 0.47 5.54 0.00 -1.26 -4.91 105.19 110.04 3kpk n GLY 345 Ca -0.07 0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.19 3kpk n GLY 345 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kpk n GLU 346 N 0.08 1.47 -2.30 1.61 -0.58 -1.26 -4.94 120.64 114.72 3kpk n GLU 346 Ca 0.08 -1.08 -0.41 0.00 -0.42 0.00 0.00 57.16 55.33 3kpk n GLU 346 Cb 0.39 -1.26 -0.03 0.00 -0.57 0.00 0.00 31.44 29.97 3kpk n GLU 346 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3kpk s GLN 347 N -1.53 4.50 0.43 3.49 0.74 -1.26 -4.98 119.66 121.05 3kpk s GLN 347 Ca 0.15 2.00 0.04 0.00 0.05 0.00 0.00 55.36 57.61 3kpk s GLN 347 Cb 0.12 -3.14 -0.05 0.00 1.10 0.00 0.00 33.01 31.05 3kpk s GLN 347 CO 0.28 0.00 0.03 0.95 -0.55 0.00 0.00 175.29 176.00 3kpk s THR 348 N -1.07 1.46 -0.88 -0.34 -4.23 -1.26 -4.40 115.64 104.91 3kpk s THR 348 Ca 0.47 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.24 3kpk s THR 348 Cb -0.36 -2.63 0.23 0.00 1.34 0.00 0.00 72.50 71.09 3kpk s THR 348 CO 0.46 0.00 1.79 1.15 -0.54 0.00 0.00 174.62 177.49 3kpk n MET 349 N -1.02 0.08 0.00 3.99 0.00 -1.24 -4.70 117.12 114.24 3kpk n MET 349 Ca -0.09 0.13 0.00 0.00 0.00 0.00 0.00 57.70 57.74 3kpk n MET 349 Cb 0.67 -1.61 0.00 0.00 0.00 0.00 0.00 33.22 32.28 3kpk n MET 349 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3kpk n GLY 350 N 1.06 -1.33 3.75 3.17 0.00 -1.26 -4.72 105.19 105.87 3kpk n GLY 350 Ca 0.06 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 3kpk n GLY 350 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kpk s THR 351 N 0.00 2.95 0.35 2.61 2.01 -1.26 -4.95 115.64 117.35 3kpk s THR 351 Ca 0.00 0.84 -0.28 0.00 0.31 0.00 0.00 61.69 62.55 3kpk s THR 351 Cb 0.00 -3.53 -0.11 0.00 0.01 0.00 0.00 72.50 68.86 3kpk s THR 351 CO 0.00 0.15 1.48 1.87 -0.69 0.00 0.00 174.62 177.44 3kpk n TRP 352 N 1.93 2.86 -3.67 4.92 -0.00 -1.26 -5.01 117.44 117.20 3kpk n TRP 352 Ca 0.04 0.42 -0.11 0.00 -0.00 0.00 0.00 57.50 57.85 3kpk n TRP 352 Cb 0.42 -2.53 -0.05 0.00 -0.00 0.00 0.00 31.31 29.15 3kpk n TRP 352 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 3kpk s ASN 353 N -0.02 -0.20 -0.09 5.87 4.22 -1.26 -4.18 114.94 119.27 3kpk s ASN 353 Ca 0.56 -0.28 0.02 0.00 -2.14 0.00 0.00 52.86 51.02 3kpk s ASN 353 Cb -0.50 0.44 0.01 0.00 1.28 0.00 0.00 41.25 42.49 3kpk s ASN 353 CO 0.60 -0.79 -0.14 0.00 -2.04 0.00 0.00 177.10 174.74 3kpk s ALA 354 N -3.47 1.49 -0.04 3.54 0.00 -0.32 -4.69 121.76 118.27 3kpk s ALA 354 Ca 0.01 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.41 3kpk s ALA 354 Cb 0.01 -0.70 0.02 0.00 0.00 0.00 0.00 23.12 22.45 3kpk s ALA 354 CO -0.09 0.04 -0.07 0.08 0.00 0.00 0.00 175.76 175.71 3kpk s VAL 355 N 0.81 0.73 -0.13 0.00 1.01 -1.26 -1.25 120.40 120.30 3kpk s VAL 355 Ca -0.11 -0.26 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 3kpk s VAL 355 Cb -0.16 -0.70 0.04 0.00 0.00 0.00 0.00 36.38 35.56 3kpk s VAL 355 CO 0.02 0.26 0.33 0.00 0.00 0.00 0.00 175.10 175.71 3kpk s PHE 357 N 0.35 1.68 -0.12 0.00 0.08 -1.26 -1.06 117.98 117.65 3kpk s PHE 357 Ca -0.01 -0.65 -0.00 0.00 0.12 0.00 0.00 56.93 56.39 3kpk s PHE 357 Cb -0.03 -1.20 0.02 0.00 -0.57 0.00 0.00 43.02 41.24 3kpk s PHE 357 CO -0.01 -0.31 -0.10 0.00 -0.10 0.00 0.00 175.22 174.70 3kpk s ALA 358 N 0.62 1.49 -0.14 5.36 0.00 0.83 -5.00 121.76 124.91 3kpk s ALA 358 Ca -0.15 -0.65 -0.20 0.00 0.00 0.00 0.00 51.96 50.96 3kpk s ALA 358 Cb -0.16 -0.94 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 3kpk s ALA 358 CO 0.05 -0.38 0.58 0.34 0.00 0.00 0.00 175.76 176.34 3kpk s ASP 359 N 1.60 6.74 0.09 0.00 -1.08 -1.26 -1.15 116.67 121.61 3kpk s ASP 359 Ca 0.04 0.89 0.22 0.00 -0.52 0.00 0.00 52.55 53.19 3kpk s ASP 359 Cb -0.13 -2.33 -0.12 0.00 -1.46 0.00 0.00 42.92 38.88 3kpk s ASP 359 CO -0.08 -0.13 0.83 0.23 0.52 0.00 0.00 175.17 176.54 3kpk n MET 360 N 4.24 0.56 0.00 4.34 2.81 0.58 -4.97 117.12 124.68 3kpk n MET 360 Ca -0.04 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 3kpk n MET 360 Cb 0.51 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 3kpk n MET 360 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kpk n GLY 361 N 1.25 -0.14 0.00 3.03 0.00 -1.26 -4.88 105.19 103.18 3kpk n GLY 361 Ca -0.01 0.20 0.02 0.00 0.00 0.00 0.00 46.02 46.23 3kpk n GLY 361 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kpk n ASP 362 N 0.00 0.78 -4.10 1.61 10.43 -1.26 -5.03 116.55 118.98 3kpk n ASP 362 Ca 0.00 -0.51 -0.10 0.00 2.57 0.00 0.00 54.79 56.75 3kpk n ASP 362 Cb 0.00 1.03 -0.08 0.00 1.84 0.00 0.00 41.12 43.91 3kpk n ASP 362 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3kpk s ARG 363 N -1.54 1.38 0.33 -1.24 1.70 -1.26 -4.39 118.95 113.93 3kpk s ARG 363 Ca 0.01 -1.43 -0.09 0.00 -0.47 0.00 0.00 55.73 53.75 3kpk s ARG 363 Cb 0.03 0.37 0.02 0.00 -0.57 0.00 0.00 34.95 34.80 3kpk s ARG 363 CO 0.17 -0.52 0.57 0.20 -1.08 0.00 0.00 175.30 174.64 3kpk s GLY 364 N -3.09 0.94 -0.00 3.88 0.00 0.03 -0.31 107.32 108.78 3kpk s GLY 364 Ca 0.30 -1.14 0.05 0.00 0.00 0.00 0.00 44.72 43.93 3kpk s GLY 364 CO 0.10 -0.71 -0.14 0.00 0.00 0.00 0.00 173.10 172.35 3kpk s ALA 365 N -3.08 2.71 0.02 3.20 0.00 -0.30 -0.98 121.76 123.33 3kpk s ALA 365 Ca 0.24 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.13 3kpk s ALA 365 Cb -0.02 -0.90 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 3kpk s ALA 365 CO 0.15 0.58 -0.03 0.00 0.00 0.00 0.00 175.76 176.45 3kpk s ALA 366 N -0.87 0.17 0.09 0.00 0.00 0.60 -0.12 121.76 121.63 3kpk s ALA 366 Ca 0.14 -0.57 0.05 0.00 0.00 0.00 0.00 51.96 51.57 3kpk s ALA 366 Cb -0.11 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 3kpk s ALA 366 CO 0.04 -0.13 -0.12 -0.59 0.00 0.00 0.00 175.76 174.95 3kpk s PHE 367 N -1.36 1.18 -0.05 0.00 -0.71 -0.23 -0.36 117.98 116.46 3kpk s PHE 367 Ca -0.14 -0.55 -0.01 0.00 -1.04 0.00 0.00 56.93 55.19 3kpk s PHE 367 Cb -0.09 -0.64 0.03 0.00 -1.21 0.00 0.00 43.02 41.10 3kpk s PHE 367 CO -0.01 0.05 0.01 0.42 -1.34 0.00 0.00 175.22 174.35 3kpk s ILE 368 N -1.88 0.24 -0.05 -4.49 1.01 0.13 -2.16 121.20 114.01 3kpk s ILE 368 Ca 0.03 0.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.80 3kpk s ILE 368 Cb -0.06 -0.38 0.03 0.00 0.01 0.00 0.00 42.46 42.06 3kpk s ILE 368 CO 0.02 0.20 0.01 0.00 0.00 0.00 0.00 174.94 175.16 3kpk s ALA 369 N 1.52 0.49 -0.12 9.38 0.00 -0.38 -0.82 121.76 131.83 3kpk s ALA 369 Ca -0.02 0.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.67 3kpk s ALA 369 Cb -0.13 -0.56 0.08 0.00 0.00 0.00 0.00 23.12 22.52 3kpk s ALA 369 CO -0.03 -0.30 0.77 -0.48 0.00 0.00 0.00 175.76 175.72 3kpk s LEU 370 N 1.61 -0.60 0.00 0.00 -0.00 -0.27 -1.17 118.68 118.25 3kpk s LEU 370 Ca -0.01 0.78 0.00 0.00 -0.00 0.00 0.00 54.13 54.90 3kpk s LEU 370 Cb -0.13 2.35 0.00 0.00 -0.00 0.00 0.00 46.19 48.41 3kpk s LEU 370 CO -0.03 -0.47 0.00 -2.65 -0.00 0.00 0.00 176.35 173.20 3kpk n PRO 371 N 1.23 1.62 -0.06 1.48 -0.02 -1.26 -0.54 135.00 137.45 3kpk n PRO 371 Ca -0.16 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.19 3kpk n PRO 371 Cb 0.57 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.98 3kpk n PRO 371 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3kpk h GLN 372 N 0.00 0.39 -6.21 -0.52 4.15 -1.88 -3.45 115.11 107.59 3kpk h GLN 372 Ca 0.00 -0.19 -0.57 0.00 0.77 0.00 0.00 58.65 58.65 3kpk h GLN 372 Cb 0.00 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.65 3kpk h GLN 372 CO 0.00 0.74 -0.19 -0.51 -1.93 0.00 0.00 178.83 176.93 3kpk s LEU 373 N -9.14 4.31 0.34 -2.39 1.43 -1.26 -4.98 118.68 106.99 3kpk s LEU 373 Ca -0.14 0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 53.70 3kpk s LEU 373 Cb 0.06 -3.18 -0.08 0.00 0.03 0.00 0.00 46.19 43.02 3kpk s LEU 373 CO 0.76 0.11 0.71 -0.54 0.23 0.00 0.00 176.35 177.62 3kpk s LYS 374 N -2.12 3.87 0.19 1.70 1.02 -1.26 -4.06 119.74 119.09 3kpk s LYS 374 Ca 0.37 0.51 -0.30 0.00 0.02 0.00 0.00 55.97 56.57 3kpk s LYS 374 Cb -0.14 -2.45 -0.08 0.00 -0.52 0.00 0.00 37.83 34.64 3kpk s LYS 374 CO 0.19 0.11 1.14 -1.25 -0.92 0.00 0.00 175.35 174.62 3kpk s PRO 375 N -3.31 4.56 0.54 -1.68 0.05 -1.26 -5.17 135.00 128.73 3kpk s PRO 375 Ca 0.52 1.79 -0.03 0.00 0.05 0.00 0.00 61.00 63.33 3kpk s PRO 375 Cb -0.10 -3.25 0.01 0.00 0.05 0.00 0.00 34.50 31.21 3kpk s PRO 375 CO 0.24 0.03 0.81 1.03 0.05 0.00 0.00 177.00 179.16 3kpk s ARG 376 N -0.47 2.88 -0.04 4.56 0.52 -1.26 -4.86 118.95 120.29 3kpk s ARG 376 Ca 0.50 -0.28 -0.01 0.00 -0.52 0.00 0.00 55.73 55.42 3kpk s ARG 376 Cb -0.31 -2.39 -0.27 0.00 0.52 0.00 0.00 34.95 32.51 3kpk s ARG 376 CO 0.36 -0.59 0.69 0.87 0.02 0.00 0.00 175.30 176.65 3kpk h LYS 377 N 0.02 0.21 -3.91 3.54 1.57 -1.16 -3.46 116.57 113.39 3kpk h LYS 377 Ca -0.45 -0.36 -0.42 0.00 -1.87 0.00 0.00 60.65 57.55 3kpk h LYS 377 Cb 1.26 0.13 -0.35 0.00 0.08 0.00 0.00 32.23 33.36 3kpk h LYS 377 CO 0.58 1.03 -0.77 0.08 -0.57 0.00 0.00 179.45 179.80 3kpk s VAL 378 N -2.60 0.48 -0.42 0.50 1.01 -0.61 -5.01 120.40 113.75 3kpk s VAL 378 Ca -0.12 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 61.87 3kpk s VAL 378 Cb 0.07 -0.55 0.18 0.00 0.00 0.00 0.00 36.38 36.08 3kpk s VAL 378 CO 0.83 0.23 0.40 -0.67 0.00 0.00 0.00 175.10 175.89 3kpk n ASP 379 N 4.40 -0.63 -4.31 3.32 2.03 -1.25 -1.11 116.55 119.00 3kpk n ASP 379 Ca -0.19 -2.46 -0.32 0.00 0.52 0.00 0.00 54.79 52.33 3kpk n ASP 379 Cb 0.51 -0.38 -0.16 0.00 -0.72 0.00 0.00 41.12 40.37 3kpk n ASP 379 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3kpk s VAL 380 N -0.05 2.49 -0.13 5.18 1.01 0.00 -3.35 120.40 125.54 3kpk s VAL 380 Ca 0.33 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3kpk s VAL 380 Cb 0.06 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.48 3kpk s VAL 380 CO -0.18 0.55 -0.14 0.12 0.00 0.00 0.00 175.10 175.45 3kpk s PHE 381 N 0.10 2.07 0.08 5.22 2.19 -1.26 -0.69 117.98 125.68 3kpk s PHE 381 Ca -0.09 -1.10 0.06 0.00 0.33 0.00 0.00 56.93 56.13 3kpk s PHE 381 Cb -0.15 -1.52 -0.03 0.00 -1.31 0.00 0.00 43.02 40.00 3kpk s PHE 381 CO 0.06 -0.60 -0.17 0.00 1.83 0.00 0.00 175.22 176.34 3kpk s ALA 382 N 1.34 1.46 -0.03 11.12 0.00 0.51 -4.66 121.76 131.50 3kpk s ALA 382 Ca 0.01 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 50.91 3kpk s ALA 382 Cb -0.13 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.81 3kpk s ALA 382 CO -0.08 0.26 -0.09 -0.47 0.00 0.00 0.00 175.76 175.38 3kpk s TYR 383 N -1.16 1.01 0.00 0.00 6.14 -1.26 -0.29 117.35 121.80 3kpk s TYR 383 Ca 0.02 -0.27 0.00 0.00 0.64 0.00 0.00 57.07 57.46 3kpk s TYR 383 Cb -0.10 -0.73 0.00 0.00 0.42 0.00 0.00 41.96 41.55 3kpk s TYR 383 CO 0.03 -0.13 0.00 0.41 0.64 0.00 0.00 175.55 176.50 3kpk n GLY 384 N 3.39 -0.18 0.32 8.97 0.00 -0.15 -4.96 105.19 112.59 3kpk n GLY 384 Ca -0.19 -1.06 -0.05 0.00 0.00 0.00 0.00 46.02 44.71 3kpk n GLY 384 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kpk h ARG 385 N 0.00 1.12 -0.93 1.61 3.08 -1.86 0.18 114.38 117.57 3kpk h ARG 385 Ca 0.00 -0.16 0.26 0.00 0.07 0.00 0.00 59.98 60.15 3kpk h ARG 385 Cb 0.00 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 29.80 3kpk h ARG 385 CO 0.00 0.87 0.66 0.11 -1.07 0.00 0.00 179.97 180.53 3kpk h TRP 386 N 1.09 0.11 -0.39 3.04 5.08 -1.94 0.12 115.95 123.06 3kpk h TRP 386 Ca 0.27 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 60.11 3kpk h TRP 386 Cb 0.12 -0.03 -0.01 0.00 -3.00 0.00 0.00 29.16 26.24 3kpk h TRP 386 CO 0.01 0.02 -0.25 0.28 -1.28 0.00 0.00 178.44 177.22 3kpk h VAL 387 N 0.08 1.28 -0.27 0.12 2.07 -1.79 -0.26 116.25 117.48 3kpk h VAL 387 Ca 0.45 -1.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 3kpk h VAL 387 Cb 1.68 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 3kpk h VAL 387 CO -0.05 0.47 0.08 -0.74 0.02 0.00 0.00 177.57 177.36 3kpk h HIS 388 N 0.66 0.44 -0.94 1.57 -0.00 -0.88 -0.80 115.15 115.20 3kpk h HIS 388 Ca 0.08 -0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 3kpk h HIS 388 Cb 0.83 -0.13 -0.05 0.00 -0.00 0.00 0.00 27.41 28.06 3kpk h HIS 388 CO 0.06 0.48 0.55 -0.07 -0.00 0.00 0.00 177.93 178.95 3kpk h LEU 389 N 0.28 1.14 0.08 0.26 3.38 -1.30 -1.28 115.31 117.86 3kpk h LEU 389 Ca 0.09 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kpk h LEU 389 Cb 0.24 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3kpk h LEU 389 CO -0.00 0.88 -0.04 0.00 0.09 0.00 0.00 178.44 179.36 3kpk h ALA 390 N 1.30 -0.11 -0.48 1.53 0.00 -0.80 -0.96 119.26 119.74 3kpk h ALA 390 Ca 0.34 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3kpk h ALA 390 Cb -0.04 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3kpk h ALA 390 CO -0.06 -0.56 0.22 -0.22 0.00 0.00 0.00 179.25 178.62 3kpk h LYS 391 N -0.12 0.71 -0.27 0.00 1.63 -0.84 0.15 116.57 117.83 3kpk h LYS 391 Ca -0.01 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 59.67 3kpk h LYS 391 Cb 0.10 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 3kpk h LYS 391 CO 0.01 0.61 0.15 0.28 -3.45 0.00 0.00 179.45 177.05 3kpk h VAL 392 N 0.64 1.12 -0.71 2.00 2.07 -1.24 -1.61 116.25 118.51 3kpk h VAL 392 Ca 0.16 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 3kpk h VAL 392 Cb 0.15 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3kpk h VAL 392 CO -0.02 0.12 0.34 0.00 0.02 0.00 0.00 177.57 178.03 3kpk h ALA 393 N 1.03 0.92 -0.34 1.67 0.00 -0.81 -2.61 119.26 119.12 3kpk h ALA 393 Ca 0.10 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 3kpk h ALA 393 Cb 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3kpk h ALA 393 CO -0.02 0.49 -0.29 0.35 0.00 0.00 0.00 179.25 179.78 3kpk h PHE 394 N 1.00 0.94 -0.23 0.00 3.57 -0.53 -0.31 116.94 121.38 3kpk h PHE 394 Ca 0.24 -0.27 0.03 0.00 3.53 0.00 0.00 57.97 61.50 3kpk h PHE 394 Cb 0.12 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 3kpk h PHE 394 CO 0.01 1.04 0.04 1.49 -2.23 0.00 0.00 178.31 178.66 3kpk h GLU 395 N 0.57 0.12 -0.37 1.11 4.81 -1.21 0.86 114.58 120.47 3kpk h GLU 395 Ca 0.06 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3kpk h GLU 395 Cb 0.87 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 3kpk h GLU 395 CO 0.07 0.08 0.23 -0.22 -0.73 0.00 0.00 179.01 178.45 3kpk h LYS 396 N 0.13 0.50 0.42 1.92 3.64 -1.34 -1.76 116.57 120.07 3kpk h LYS 396 Ca 0.10 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3kpk h LYS 396 Cb 0.10 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3kpk h LYS 396 CO -0.14 0.35 -0.20 -0.92 -2.27 0.00 0.00 179.45 176.27 3kpk h TYR 397 N 0.49 -0.52 -0.38 1.91 3.20 -0.73 -2.04 116.97 118.90 3kpk h TYR 397 Ca 0.13 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.00 3kpk h TYR 397 Cb -0.02 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 3kpk h TYR 397 CO -0.04 -0.32 0.23 0.35 -1.64 0.00 0.00 178.16 176.74 3kpk h PHE 398 N -0.57 0.44 -0.35 -3.82 3.04 -0.76 -0.44 116.94 114.48 3kpk h PHE 398 Ca -0.06 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.90 3kpk h PHE 398 Cb 0.44 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 38.79 3kpk h PHE 398 CO -0.04 0.26 0.21 0.82 -2.02 0.00 0.00 178.31 177.54 3kpk h ILE 399 N 0.48 1.11 -0.62 1.41 2.04 -1.34 -0.01 117.51 120.58 3kpk h ILE 399 Ca 0.15 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.77 3kpk h ILE 399 Cb -0.02 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 3kpk h ILE 399 CO -0.06 0.11 0.40 -0.09 0.00 0.00 0.00 178.15 178.51 3kpk h ARG 400 N 0.46 0.78 -0.31 2.37 2.43 -1.08 -2.30 114.38 116.72 3kpk h ARG 400 Ca 0.13 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3kpk h ARG 400 Cb -0.01 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 3kpk h ARG 400 CO -0.02 0.52 -0.02 -0.22 -1.51 0.00 0.00 179.97 178.71 3kpk h LYS 401 N 0.80 0.49 0.00 0.20 3.64 -0.51 0.50 116.57 121.69 3kpk h LYS 401 Ca 0.24 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3kpk h LYS 401 Cb -0.05 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3kpk h LYS 401 CO -0.07 0.54 0.00 0.52 -2.27 0.00 0.00 179.45 178.17 3kpk h MET 402 N 0.47 0.00 0.07 1.90 2.86 -0.47 0.92 114.93 120.69 3kpk h MET 402 Ca 0.10 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.39 3kpk h MET 402 Cb 0.35 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 3kpk h MET 402 CO 0.01 0.00 -2.00 1.63 1.06 0.00 0.00 176.91 177.61 3kpk n LYS 403 N -2.87 0.71 0.03 1.72 5.02 -0.56 -4.52 118.16 117.68 3kpk n LYS 403 Ca 0.01 0.24 -0.02 0.00 -2.02 0.00 0.00 58.31 56.52 3kpk n LYS 403 Cb 0.30 -1.70 -0.09 0.00 -0.02 0.00 0.00 35.03 33.53 3kpk n LYS 403 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 3kpk h MET 404 N 0.04 0.00 0.00 1.97 2.86 -0.78 -3.45 114.93 115.57 3kpk h MET 404 Ca -0.41 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 3kpk h MET 404 Cb 2.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.69 3kpk h MET 404 CO 0.06 0.39 0.00 0.41 1.06 0.00 0.00 176.91 178.84 3kpk n GLY 405 N 1.41 2.91 3.14 8.32 0.00 0.30 -5.07 105.19 116.21 3kpk n GLY 405 Ca -0.10 -1.72 -0.32 0.00 0.00 0.00 0.00 46.02 43.88 3kpk n GLY 405 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kpk s VAL 406 N -1.88 1.95 -0.03 1.61 1.01 -1.26 -4.84 120.40 116.96 3kpk s VAL 406 Ca 0.00 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.13 3kpk s VAL 406 Cb 0.00 -1.74 -0.09 0.00 0.00 0.00 0.00 36.38 34.55 3kpk s VAL 406 CO 0.00 0.53 0.09 -1.54 0.00 0.00 0.00 175.10 174.18 3kpk n SER 407 N 4.16 3.53 -4.31 3.32 3.41 -1.26 -3.68 113.62 118.79 3kpk n SER 407 Ca -0.20 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.16 3kpk n SER 407 Cb 0.51 1.01 -0.09 0.00 -0.26 0.00 0.00 64.21 65.38 3kpk n SER 407 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3kpk s GLU 408 N -2.31 1.89 -0.38 4.33 1.03 -1.26 -4.96 118.70 117.04 3kpk s GLU 408 Ca -0.03 -2.13 -0.42 0.00 0.03 0.00 0.00 54.97 52.42 3kpk s GLU 408 Cb 0.03 -0.83 -0.17 0.00 -0.80 0.00 0.00 34.13 32.37 3kpk s GLU 408 CO 0.26 -0.37 1.83 -2.30 -1.33 0.00 0.00 175.26 173.35 3kpk n PRO 409 N -0.90 0.70 0.23 -4.83 -0.02 -1.26 -4.81 135.00 124.12 3kpk n PRO 409 Ca -0.07 0.24 0.09 0.00 -2.02 0.00 0.00 63.50 61.75 3kpk n PRO 409 Cb 0.66 -1.92 0.65 0.00 -0.02 0.00 0.00 33.50 32.86 3kpk n PRO 409 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3kpk h PHE 410 N 7.69 0.00 -2.53 6.00 3.57 -1.97 -3.29 116.94 126.41 3kpk h PHE 410 Ca -0.38 0.00 -0.78 0.00 3.53 0.00 0.00 57.97 60.34 3kpk h PHE 410 Cb 1.35 0.00 -0.30 0.00 2.79 0.00 0.00 35.95 39.79 3kpk h PHE 410 CO 0.80 0.00 0.68 0.66 -2.23 0.00 0.00 178.31 178.22 3kpk n TYR 411 N -4.52 2.69 1.26 0.41 4.02 -1.26 -4.52 117.16 115.24 3kpk n TYR 411 Ca -0.02 -2.79 0.02 0.00 -0.01 0.00 0.00 57.90 55.10 3kpk n TYR 411 Cb 0.14 -1.12 0.13 0.00 -0.02 0.00 0.00 39.34 38.47 3kpk n TYR 411 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 3kpk n GLU 412 N 0.59 0.63 0.27 -0.72 -0.00 -1.24 -2.82 120.64 117.34 3kpk n GLU 412 Ca 0.35 0.00 0.13 0.00 -0.00 0.00 0.00 57.16 57.65 3kpk n GLU 412 Cb 0.31 -1.11 0.78 0.00 -0.00 0.00 0.00 31.44 31.42 3kpk n GLU 412 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 3kpk h LYS 413 N 0.00 0.00 -0.31 3.44 1.57 -1.93 -1.71 116.57 117.63 3kpk h LYS 413 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kpk h LYS 413 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3kpk h LYS 413 CO 0.00 0.09 0.00 0.28 -0.57 0.00 0.00 179.45 179.25 3kpk n VAL 414 N -3.71 0.00 0.89 0.50 0.31 -1.13 -2.61 118.33 112.59 3kpk n VAL 414 Ca -0.02 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.43 3kpk n VAL 414 Cb 0.19 -0.19 0.25 0.00 -0.91 0.00 0.00 33.84 33.18 3kpk n VAL 414 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3kpk n LEU 415 N -0.31 0.51 0.00 7.52 -0.00 -0.64 -3.84 117.00 120.24 3kpk n LEU 415 Ca 0.00 0.08 0.01 0.00 -0.00 0.00 0.00 56.01 56.10 3kpk n LEU 415 Cb 0.08 -0.25 0.04 0.00 -0.00 0.00 0.00 43.42 43.30 3kpk n LEU 415 CO 0.00 0.07 0.21 2.22 -0.00 0.00 0.00 177.39 179.90 3kpk n PHE 416 N -1.65 0.00 -0.09 1.96 -1.74 -1.07 -1.39 117.46 113.47 3kpk n PHE 416 Ca 0.05 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.79 3kpk n PHE 416 Cb 0.36 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.28 3kpk n PHE 416 CO 0.00 0.00 0.00 1.17 -0.56 0.00 0.00 176.76 177.37 3kpk n LYS 417 N -0.57 0.45 0.00 3.97 3.00 -1.25 -5.23 118.16 118.53 3kpk n LYS 417 Ca 0.01 0.13 0.16 0.00 -0.00 0.00 0.00 58.31 58.60 3kpk n LYS 417 Cb 0.01 -1.32 0.88 0.00 0.00 0.00 0.00 35.03 34.59 3kpk n LYS 417 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07