#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgk s ILE 2 N 0.00 1.20 -0.21 2.02 1.01 -0.96 -5.04 121.20 119.22 2kgk s ILE 2 Ca 0.00 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.11 2kgk s ILE 2 Cb 0.00 -1.07 0.05 0.00 0.01 0.00 0.00 42.46 41.45 2kgk s ILE 2 CO 0.00 0.36 -0.10 0.68 0.00 0.00 0.00 174.94 175.88 2kgk s VAL 3 N 0.40 1.70 -0.09 2.92 -7.23 -1.26 -2.30 120.40 114.54 2kgk s VAL 3 Ca -0.10 -1.10 -0.02 0.00 -1.81 0.00 0.00 61.98 58.95 2kgk s VAL 3 Cb -0.14 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 2kgk s VAL 3 CO 0.03 0.13 -0.01 -0.55 -0.31 0.00 0.00 175.10 174.38 2kgk s SER 4 N 1.36 5.08 -0.19 4.85 0.15 -0.80 -1.27 113.70 122.89 2kgk s SER 4 Ca -0.02 0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.71 2kgk s SER 4 Cb -0.17 -1.47 0.03 0.00 -1.71 0.00 0.00 66.02 62.70 2kgk s SER 4 CO -0.08 0.34 -0.18 -0.36 1.20 0.00 0.00 173.24 174.16 2kgk s PHE 5 N -0.67 2.80 -0.24 3.44 0.40 -0.85 -0.88 117.98 121.99 2kgk s PHE 5 Ca 0.11 -1.71 -0.14 0.00 -0.60 0.00 0.00 56.93 54.58 2kgk s PHE 5 Cb -0.12 -1.90 -0.04 0.00 0.51 0.00 0.00 43.02 41.47 2kgk s PHE 5 CO 0.02 -0.81 0.34 1.41 0.70 0.00 0.00 175.22 176.88 2kgk s MET 6 N 1.28 4.08 -0.00 0.44 -2.45 -0.72 -0.15 119.30 121.78 2kgk s MET 6 Ca 0.03 0.04 -0.03 0.00 -1.25 0.00 0.00 55.69 54.48 2kgk s MET 6 Cb -0.14 -3.59 -0.00 0.00 1.25 0.00 0.00 34.83 32.34 2kgk s MET 6 CO -0.12 -0.13 0.05 0.08 1.05 0.00 0.00 175.02 175.95 2kgk s VAL 7 N 1.61 0.06 0.18 10.11 1.01 0.88 -4.45 120.40 129.80 2kgk s VAL 7 Ca 0.15 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.65 2kgk s VAL 7 Cb -0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 2kgk s VAL 7 CO 0.08 -0.28 0.29 0.00 0.00 0.00 0.00 175.10 175.19 2kgk s ALA 8 N -0.88 3.92 -0.17 5.51 0.00 -1.26 -2.08 121.76 126.79 2kgk s ALA 8 Ca -0.10 -1.11 -0.04 0.00 0.00 0.00 0.00 51.96 50.71 2kgk s ALA 8 Cb -0.06 -1.72 0.06 0.00 0.00 0.00 0.00 23.12 21.40 2kgk s ALA 8 CO 0.00 0.44 0.06 1.41 0.00 0.00 0.00 175.76 177.67 2kgk s MET 9 N -3.46 0.36 -0.06 0.00 0.00 -0.01 -4.41 119.30 111.71 2kgk s MET 9 Ca 0.34 -0.22 -0.22 0.00 0.00 0.00 0.00 55.69 55.59 2kgk s MET 9 Cb -0.10 -1.89 -0.04 0.00 0.00 0.00 0.00 34.83 32.80 2kgk s MET 9 CO 0.28 -0.63 0.64 -0.51 0.00 0.00 0.00 175.02 174.80 2kgk s ASP 10 N 2.00 6.93 0.59 1.11 1.01 -0.91 -0.82 116.67 126.58 2kgk s ASP 10 Ca 0.01 1.11 0.29 0.00 0.71 0.00 0.00 52.55 54.67 2kgk s ASP 10 Cb -0.16 -2.38 1.64 0.00 1.01 0.00 0.00 42.92 43.03 2kgk s ASP 10 CO -0.08 -0.05 2.06 1.05 0.21 0.00 0.00 175.17 178.36 2kgk h GLU 11 N 6.55 0.00 0.00 8.23 4.11 -1.80 -1.65 114.58 130.02 2kgk h GLU 11 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 2kgk h GLU 11 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2kgk h GLU 11 CO 0.74 0.00 -0.89 0.09 0.07 0.00 0.00 179.01 179.03 2kgk n ASN 12 N -3.74 1.29 0.00 3.06 3.02 -1.26 -5.03 115.26 112.60 2kgk n ASN 12 Ca 0.03 -0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.12 2kgk n ASN 12 Cb 0.38 1.19 0.00 0.00 -0.61 0.00 0.00 39.78 40.74 2kgk n ASN 12 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kgk n ARG 13 N -1.49 0.00 0.02 3.52 5.12 -0.62 -4.78 116.66 118.43 2kgk n ARG 13 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2kgk n ARG 13 Cb 0.21 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.51 2kgk n ARG 13 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 2kgk n VAL 14 N 0.00 0.00 -1.89 1.55 3.14 -0.74 -2.41 118.33 117.98 2kgk n VAL 14 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2kgk n VAL 14 Cb 0.00 -0.08 0.00 0.00 -1.06 0.00 0.00 33.84 32.70 2kgk n VAL 14 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2kgk n ILE 15 N -2.60 0.00 -3.20 1.55 -5.35 -1.13 -2.14 119.36 106.49 2kgk n ILE 15 Ca 0.00 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.26 2kgk n ILE 15 Cb 0.00 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 37.83 2kgk n ILE 15 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kgk n GLY 16 N 0.00 2.03 0.11 3.28 0.00 -1.06 -4.11 105.19 105.44 2kgk n GLY 16 Ca 0.00 -1.15 -0.17 0.00 0.00 0.00 0.00 46.02 44.71 2kgk n GLY 16 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2kgk h LYS 17 N 4.76 0.22 -1.86 1.61 2.10 -1.64 0.75 116.57 122.52 2kgk h LYS 17 Ca 0.13 -0.38 -0.48 0.00 -2.00 0.00 0.00 60.65 57.92 2kgk h LYS 17 Cb 0.92 0.14 -0.38 0.00 -0.90 0.00 0.00 32.23 32.02 2kgk h LYS 17 CO 0.37 1.06 -1.13 -3.47 -2.00 0.00 0.00 179.45 174.28 2kgk n ASP 18 N -3.41 0.49 0.00 7.07 2.03 -1.26 -2.39 116.55 119.07 2kgk n ASP 18 Ca -0.19 -3.00 0.00 0.00 0.52 0.00 0.00 54.79 52.12 2kgk n ASP 18 Cb 1.04 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 2kgk n ASP 18 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2kgk n ASN 19 N 0.49 0.00 -0.62 1.67 5.03 -1.26 -4.79 115.26 115.79 2kgk n ASN 19 Ca 0.23 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.68 2kgk n ASN 19 Cb 0.64 -1.60 0.00 0.00 -1.02 0.00 0.00 39.78 37.80 2kgk n ASN 19 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 2kgk n ASN 20 N 0.00 0.00 -4.83 6.41 0.23 -1.26 -4.38 115.26 111.43 2kgk n ASN 20 Ca 0.00 -0.62 -0.33 0.00 -0.53 0.00 0.00 54.58 53.10 2kgk n ASN 20 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 2kgk n ASN 20 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2kgk s LEU 21 N 0.00 4.07 0.00 -4.53 2.01 -1.26 -2.12 118.68 116.85 2kgk s LEU 21 Ca 0.00 1.48 0.00 0.00 0.01 0.00 0.00 54.13 55.62 2kgk s LEU 21 Cb 0.00 -4.19 0.00 0.00 0.01 0.00 0.00 46.19 42.01 2kgk s LEU 21 CO 0.00 -0.23 0.00 -0.81 1.01 0.00 0.00 176.35 176.32 2kgk n PRO 22 N -0.28 2.19 -3.96 1.29 -0.04 -1.26 -4.92 135.00 128.03 2kgk n PRO 22 Ca 0.04 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.37 2kgk n PRO 22 Cb 0.53 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.85 2kgk n PRO 22 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2kgk s TRP 23 N 0.00 0.16 0.28 0.54 0.52 -1.26 -5.14 118.94 114.04 2kgk s TRP 23 Ca 0.00 -0.07 -0.01 0.00 0.02 0.00 0.00 56.10 56.03 2kgk s TRP 23 Cb 0.00 -0.10 -0.02 0.00 -1.15 0.00 0.00 33.47 32.20 2kgk s TRP 23 CO 0.00 -0.02 0.33 -0.98 0.02 0.00 0.00 176.95 176.30 2kgk s ARG 24 N -0.17 1.61 -0.61 4.98 1.70 -1.26 -5.02 118.95 120.17 2kgk s ARG 24 Ca -0.01 -1.70 -0.24 0.00 -0.47 0.00 0.00 55.73 53.32 2kgk s ARG 24 Cb -0.01 0.37 -0.15 0.00 -0.57 0.00 0.00 34.95 34.59 2kgk s ARG 24 CO -0.00 -0.62 1.79 -0.11 -1.08 0.00 0.00 175.30 175.28 2kgk n LEU 25 N -0.46 0.28 0.17 -1.89 7.94 -1.26 -4.69 117.00 117.08 2kgk n LEU 25 Ca 0.02 0.21 0.12 0.00 -1.11 0.00 0.00 56.01 55.26 2kgk n LEU 25 Cb 0.63 -0.64 0.59 0.00 0.53 0.00 0.00 43.42 44.53 2kgk n LEU 25 CO 0.30 -0.51 0.87 1.55 -1.11 0.00 0.00 177.39 178.49 2kgk h PRO 26 N 7.85 0.00 0.20 1.96 0.13 -1.98 -1.60 132.00 138.56 2kgk h PRO 26 Ca -0.04 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.76 2kgk h PRO 26 Cb 0.93 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.08 2kgk h PRO 26 CO 0.92 0.00 -1.49 1.03 -0.23 0.00 0.00 178.00 178.23 2kgk h SER 27 N 0.00 0.67 -0.49 1.44 0.87 -2.00 -3.19 113.55 110.84 2kgk h SER 27 Ca 0.00 -0.77 -0.02 0.00 -1.23 0.00 0.00 61.79 59.77 2kgk h SER 27 Cb 0.18 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 2kgk h SER 27 CO 0.00 1.62 0.24 -0.08 -0.53 0.00 0.00 176.83 178.08 2kgk h GLU 28 N 0.12 0.70 -0.03 2.24 4.22 -1.65 -0.50 114.58 119.68 2kgk h GLU 28 Ca -0.25 -0.10 0.01 0.00 0.08 0.00 0.00 59.36 59.10 2kgk h GLU 28 Cb 2.10 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 31.22 2kgk h GLU 28 CO 0.23 0.58 0.03 1.37 -2.18 0.00 0.00 179.01 179.04 2kgk h LEU 29 N 0.65 0.00 0.05 1.64 8.10 -1.60 -1.55 115.31 122.60 2kgk h LEU 29 Ca 0.17 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 58.01 2kgk h LEU 29 Cb 0.11 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.34 2kgk h LEU 29 CO -0.02 0.00 -0.61 1.56 -4.11 0.00 0.00 178.44 175.26 2kgk h GLN 30 N 0.00 0.32 0.29 0.17 4.20 -1.30 -2.45 115.11 116.34 2kgk h GLN 30 Ca 0.02 -0.42 -0.01 0.00 0.06 0.00 0.00 58.65 58.30 2kgk h GLN 30 Cb 0.07 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2kgk h GLN 30 CO -0.00 1.13 -0.21 -0.92 -0.67 0.00 0.00 178.83 178.16 2kgk h TYR 31 N -0.29 -0.54 -0.87 2.96 3.20 -0.58 -1.33 116.97 119.53 2kgk h TYR 31 Ca -0.09 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.79 2kgk h TYR 31 Cb 1.38 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 39.81 2kgk h TYR 31 CO 0.17 -0.32 0.58 -0.24 -1.64 0.00 0.00 178.16 176.71 2kgk h VAL 32 N -0.49 1.22 0.31 1.81 3.04 -1.43 -1.71 116.25 118.99 2kgk h VAL 32 Ca -0.02 -0.40 -0.01 0.00 -1.01 0.00 0.00 66.70 65.26 2kgk h VAL 32 Cb 0.43 -0.06 -0.02 0.00 -2.01 0.00 0.00 31.29 29.63 2kgk h VAL 32 CO 0.00 0.21 -0.36 0.50 -1.01 0.00 0.00 177.57 176.92 2kgk h LYS 33 N 1.17 -0.65 0.00 4.17 3.64 -1.07 0.84 116.57 124.66 2kgk h LYS 33 Ca 0.32 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 2kgk h LYS 33 Cb -0.13 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2kgk h LYS 33 CO -0.07 -0.44 0.00 1.57 -2.27 0.00 0.00 179.45 178.24 2kgk h LYS 34 N -0.68 0.00 0.00 1.90 2.10 -1.17 1.01 116.57 119.72 2kgk h LYS 34 Ca -0.04 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.35 2kgk h LYS 34 Cb 0.60 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.89 2kgk h LYS 34 CO -0.07 0.00 -1.61 1.15 -2.00 0.00 0.00 179.45 176.92 2kgk h THR 35 N 0.00 0.80 -0.02 0.07 2.02 -0.33 -3.35 112.91 112.10 2kgk h THR 35 Ca 0.00 -2.57 0.00 0.00 0.77 0.00 0.00 66.41 64.61 2kgk h THR 35 Cb 0.06 2.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 2kgk h THR 35 CO 0.00 0.45 -0.14 0.35 0.37 0.00 0.00 175.52 176.55 2kgk n THR 36 N -3.02 0.00 -1.62 3.16 -2.24 0.28 -5.00 114.28 105.84 2kgk n THR 36 Ca -0.15 -0.43 -0.45 0.00 -2.27 0.00 0.00 64.05 60.76 2kgk n THR 36 Cb 1.00 1.33 -0.02 0.00 -2.10 0.00 0.00 70.33 70.54 2kgk n THR 36 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 2kgk n MET 37 N 0.63 1.57 0.00 -0.78 3.85 0.33 -0.89 117.12 121.84 2kgk n MET 37 Ca 0.10 0.55 0.00 0.00 -1.00 0.00 0.00 57.70 57.35 2kgk n MET 37 Cb 0.44 -2.03 0.00 0.00 -1.05 0.00 0.00 33.22 30.58 2kgk n MET 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2kgk n GLY 38 N 1.45 1.57 3.81 3.17 0.00 -0.87 -5.03 105.19 109.29 2kgk n GLY 38 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2kgk n GLY 38 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kgk s HIS 39 N -2.44 3.54 -0.51 1.61 3.76 -0.07 -4.96 115.29 116.24 2kgk s HIS 39 Ca 0.00 1.52 -0.27 0.00 -0.15 0.00 0.00 55.06 56.16 2kgk s HIS 39 Cb 0.00 -2.74 -0.02 0.00 1.11 0.00 0.00 32.58 30.93 2kgk s HIS 39 CO 0.00 0.17 1.80 -1.25 -0.85 0.00 0.00 174.74 174.61 2kgk s PRO 40 N -2.42 2.93 -0.43 8.40 0.04 -1.26 -4.71 135.00 137.55 2kgk s PRO 40 Ca 0.51 0.89 -0.15 0.00 0.04 0.00 0.00 61.00 62.29 2kgk s PRO 40 Cb -0.15 -4.30 0.04 0.00 0.04 0.00 0.00 34.50 30.13 2kgk s PRO 40 CO 0.20 -2.36 0.32 -1.17 0.04 0.00 0.00 177.00 174.03 2kgk s LEU 41 N 8.09 5.24 -0.35 -3.56 2.96 -0.97 -2.17 118.68 127.92 2kgk s LEU 41 Ca 0.71 -1.03 -0.17 0.00 -0.22 0.00 0.00 54.13 53.42 2kgk s LEU 41 Cb -0.16 -2.16 -0.00 0.00 0.50 0.00 0.00 46.19 44.37 2kgk s LEU 41 CO 0.26 -0.50 0.45 -0.63 -1.32 0.00 0.00 176.35 174.60 2kgk s ILE 42 N 1.66 5.08 0.26 6.68 1.09 -0.55 -0.32 121.20 135.10 2kgk s ILE 42 Ca 0.05 0.16 0.12 0.00 -1.10 0.00 0.00 60.65 59.88 2kgk s ILE 42 Cb -0.21 -3.91 -0.05 0.00 -1.06 0.00 0.00 42.46 37.23 2kgk s ILE 42 CO 0.09 -0.19 -0.21 -0.04 -0.10 0.00 0.00 174.94 174.49 2kgk s MET 43 N 2.22 1.64 0.19 2.79 -1.94 -0.01 0.97 119.30 125.17 2kgk s MET 43 Ca 0.15 -1.72 -0.30 0.00 -1.71 0.00 0.00 55.69 52.12 2kgk s MET 43 Cb -0.16 -1.78 -0.08 0.00 2.01 0.00 0.00 34.83 34.82 2kgk s MET 43 CO 0.13 0.34 1.10 0.20 -0.01 0.00 0.00 175.02 176.78 2kgk s GLY 44 N -3.33 2.87 0.59 -0.03 0.00 -1.01 -2.18 107.32 104.22 2kgk s GLY 44 Ca 0.28 0.83 0.29 0.00 0.00 0.00 0.00 44.72 46.12 2kgk s GLY 44 CO 0.14 1.64 1.94 0.07 0.00 0.00 0.00 173.10 176.89 2kgk h ARG 45 N 4.94 0.00 -0.08 2.90 -0.00 -1.88 0.66 114.38 120.92 2kgk h ARG 45 Ca -0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.51 2kgk h ARG 45 Cb 1.21 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.18 2kgk h ARG 45 CO 0.72 0.00 -0.03 0.87 -0.00 0.00 0.00 179.97 181.52 2kgk h LYS 46 N 0.00 0.17 0.74 0.08 1.57 -1.90 -2.19 116.57 115.03 2kgk h LYS 46 Ca 0.20 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2kgk h LYS 46 Cb 1.06 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 2kgk h LYS 46 CO -0.00 0.52 -0.48 -0.91 -0.57 0.00 0.00 179.45 178.01 2kgk h ASN 47 N -0.19 -1.24 -1.04 0.86 2.35 -1.21 0.25 115.58 115.36 2kgk h ASN 47 Ca 0.02 0.07 0.31 0.00 -0.55 0.00 0.00 56.30 56.16 2kgk h ASN 47 Cb 0.47 0.37 -0.13 0.00 0.05 0.00 0.00 38.32 39.07 2kgk h ASN 47 CO 0.01 -0.73 0.62 0.22 -1.65 0.00 0.00 177.43 175.90 2kgk h TYR 48 N -1.15 0.87 -0.01 1.19 5.03 -1.49 1.25 116.97 122.66 2kgk h TYR 48 Ca -0.10 0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.12 2kgk h TYR 48 Cb 0.93 -0.23 -0.02 0.00 1.55 0.00 0.00 36.73 38.96 2kgk h TYR 48 CO -0.12 -0.10 -0.59 0.93 -1.32 0.00 0.00 178.16 176.96 2kgk h GLU 49 N 0.35 0.04 0.04 1.82 4.39 -0.76 0.28 114.58 120.74 2kgk h GLU 49 Ca 0.71 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 60.29 2kgk h GLU 49 Cb 1.67 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.34 2kgk h GLU 49 CO -0.52 0.61 -0.39 0.00 -1.16 0.00 0.00 179.01 177.55 2kgk h ALA 50 N 1.38 -0.01 0.30 3.43 0.00 0.35 -3.37 119.26 121.33 2kgk h ALA 50 Ca -0.01 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 2kgk h ALA 50 Cb 1.05 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2kgk h ALA 50 CO 0.08 0.18 -0.14 0.82 0.00 0.00 0.00 179.25 180.18 2kgk h ILE 51 N -0.54 0.52 0.00 0.00 5.03 -0.46 -3.46 117.51 118.59 2kgk h ILE 51 Ca -0.06 -0.81 0.00 0.00 -0.12 0.00 0.00 64.86 63.87 2kgk h ILE 51 Cb 1.22 0.84 0.00 0.00 -3.03 0.00 0.00 36.82 35.85 2kgk h ILE 51 CO 0.08 0.12 0.00 0.61 -0.68 0.00 0.00 178.15 178.28 2kgk n GLY 52 N 0.27 0.98 2.24 5.37 0.00 0.09 -4.93 105.19 109.21 2kgk n GLY 52 Ca -0.08 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 2kgk n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kgk n ARG 53 N 0.00 1.06 -2.91 1.61 1.74 -1.26 -4.62 116.66 112.28 2kgk n ARG 53 Ca 0.00 -3.49 -0.41 0.00 -0.77 0.00 0.00 57.85 53.19 2kgk n ARG 53 Cb 0.00 -1.45 -0.04 0.00 -1.02 0.00 0.00 32.46 29.95 2kgk n ARG 53 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2kgk s PRO 54 N -1.58 4.50 -0.34 5.56 0.04 -1.26 -4.96 135.00 136.95 2kgk s PRO 54 Ca 0.37 1.11 0.16 0.00 0.04 0.00 0.00 61.00 62.67 2kgk s PRO 54 Cb 0.19 -3.44 0.44 0.00 0.04 0.00 0.00 34.50 31.73 2kgk s PRO 54 CO -0.09 0.05 1.09 1.47 0.04 0.00 0.00 177.00 179.56 2kgk n LEU 55 N 3.68 0.42 -2.95 -3.56 -0.00 -1.26 -4.82 117.00 108.51 2kgk n LEU 55 Ca 0.01 -3.60 -0.06 0.00 -0.00 0.00 0.00 56.01 52.37 2kgk n LEU 55 Cb 0.51 0.31 -0.01 0.00 -0.00 0.00 0.00 43.42 44.23 2kgk n LEU 55 CO 0.49 1.64 1.29 -0.81 -0.00 0.00 0.00 177.39 180.00 2kgk n PRO 56 N -0.27 0.57 0.00 1.47 -0.04 -1.26 -1.74 135.00 133.74 2kgk n PRO 56 Ca 0.05 -0.68 0.00 0.00 -0.04 0.00 0.00 63.50 62.83 2kgk n PRO 56 Cb 0.83 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 2kgk n PRO 56 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kgk n GLY 57 N 3.77 0.00 3.25 0.55 0.00 -1.26 -4.62 105.19 106.88 2kgk n GLY 57 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 2kgk n GLY 57 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kgk n ARG 58 N 0.00 -0.94 -2.66 1.61 3.00 -0.71 -2.05 116.66 114.92 2kgk n ARG 58 Ca 0.00 -0.07 -0.04 0.00 -0.00 0.00 0.00 57.85 57.75 2kgk n ARG 58 Cb 0.00 -0.84 0.10 0.00 0.00 0.00 0.00 32.46 31.71 2kgk n ARG 58 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2kgk n ARG 59 N -2.13 0.08 -3.72 -0.14 0.63 -1.26 -4.73 116.66 105.39 2kgk n ARG 59 Ca -0.08 -0.62 -0.37 0.00 -0.92 0.00 0.00 57.85 55.86 2kgk n ARG 59 Cb 0.20 -0.11 -0.12 0.00 0.45 0.00 0.00 32.46 32.88 2kgk n ARG 59 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 2kgk s ASN 60 N -0.14 5.27 -0.20 6.15 0.02 -1.26 -2.30 114.94 122.49 2kgk s ASN 60 Ca 0.23 -0.35 -0.05 0.00 -1.02 0.00 0.00 52.86 51.67 2kgk s ASN 60 Cb 0.25 -1.95 -0.03 0.00 0.02 0.00 0.00 41.25 39.55 2kgk s ASN 60 CO -0.14 -0.10 0.00 -0.63 0.02 0.00 0.00 177.10 176.26 2kgk s ILE 61 N 1.61 3.98 -0.11 0.60 -1.09 0.56 -2.50 121.20 124.26 2kgk s ILE 61 Ca 0.05 -0.30 -0.03 0.00 -2.23 0.00 0.00 60.65 58.14 2kgk s ILE 61 Cb -0.16 -2.80 -0.03 0.00 -1.58 0.00 0.00 42.46 37.89 2kgk s ILE 61 CO 0.04 0.43 0.02 0.27 -1.23 0.00 0.00 174.94 174.48 2kgk s ILE 62 N 0.95 4.48 -0.19 2.92 -4.36 -0.83 -0.83 121.20 123.34 2kgk s ILE 62 Ca 0.01 -0.18 -0.18 0.00 -0.26 0.00 0.00 60.65 60.05 2kgk s ILE 62 Cb -0.14 -2.91 -0.03 0.00 1.25 0.00 0.00 42.46 40.62 2kgk s ILE 62 CO 0.02 0.58 0.49 -0.69 0.24 0.00 0.00 174.94 175.58 2kgk s VAL 63 N -0.67 5.13 -0.27 8.37 1.01 -0.92 -0.08 120.40 132.97 2kgk s VAL 63 Ca 0.11 0.90 -0.24 0.00 0.00 0.00 0.00 61.98 62.74 2kgk s VAL 63 Cb -0.12 -3.81 0.07 0.00 0.00 0.00 0.00 36.38 32.52 2kgk s VAL 63 CO 0.02 0.21 0.71 0.28 0.00 0.00 0.00 175.10 176.32 2kgk s THR 64 N 1.49 -0.00 -0.41 3.92 -1.32 -0.18 -3.10 115.64 116.04 2kgk s THR 64 Ca 0.23 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.56 2kgk s THR 64 Cb -0.15 -0.99 0.02 0.00 -1.51 0.00 0.00 72.50 69.87 2kgk s THR 64 CO 0.09 0.00 0.33 0.00 -2.21 0.00 0.00 174.62 172.83 2kgk s ARG 65 N 0.44 3.01 -0.30 7.08 1.70 -1.26 -4.34 118.95 125.28 2kgk s ARG 65 Ca -0.01 -0.95 -0.19 0.00 -0.47 0.00 0.00 55.73 54.12 2kgk s ARG 65 Cb -0.05 -3.97 0.19 0.00 -0.57 0.00 0.00 34.95 30.55 2kgk s ARG 65 CO -0.00 -0.76 1.24 -0.80 -1.08 0.00 0.00 175.30 173.90 2kgk s ASN 66 N 1.71 -0.13 -0.42 -2.89 0.01 -1.26 -5.08 114.94 106.88 2kgk s ASN 66 Ca 0.07 0.16 -0.29 0.00 -0.71 0.00 0.00 52.86 52.09 2kgk s ASN 66 Cb -0.19 1.14 0.00 0.00 0.41 0.00 0.00 41.25 42.62 2kgk s ASN 66 CO 0.11 -0.03 1.51 -1.61 -1.51 0.00 0.00 177.10 175.57 2kgk s GLU 67 N 2.26 3.47 0.00 -0.60 2.02 -1.26 -2.29 118.70 122.31 2kgk s GLU 67 Ca -0.01 0.98 0.00 0.00 0.02 0.00 0.00 54.97 55.96 2kgk s GLU 67 Cb -0.03 -4.08 0.00 0.00 0.10 0.00 0.00 34.13 30.12 2kgk s GLU 67 CO -0.15 -1.70 0.00 0.41 0.02 0.00 0.00 175.26 173.85 2kgk n GLY 68 N 5.19 0.95 3.77 -1.39 0.00 -1.26 -5.09 105.19 107.36 2kgk n GLY 68 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2kgk n GLY 68 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2kgk s TYR 69 N -2.00 3.24 -0.14 1.61 5.04 -0.97 -5.04 117.35 119.09 2kgk s TYR 69 Ca 0.00 1.58 -0.16 0.00 -2.44 0.00 0.00 57.07 56.05 2kgk s TYR 69 Cb 0.00 -3.39 0.04 0.00 0.35 0.00 0.00 41.96 38.96 2kgk s TYR 69 CO 0.00 -1.12 0.45 -3.38 -1.34 0.00 0.00 175.55 170.16 2kgk s HIS 70 N -1.31 -0.46 -0.15 4.97 -3.43 -1.26 -4.90 115.29 108.74 2kgk s HIS 70 Ca 0.52 1.08 -0.04 0.00 -0.80 0.00 0.00 55.06 55.82 2kgk s HIS 70 Cb -0.32 0.17 0.05 0.00 -1.43 0.00 0.00 32.58 31.06 2kgk s HIS 70 CO 0.41 -0.28 0.07 0.08 -2.00 0.00 0.00 174.74 173.02 2kgk s VAL 71 N -0.05 0.03 -0.00 -5.38 1.01 -1.26 -5.10 120.40 109.65 2kgk s VAL 71 Ca -0.02 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 2kgk s VAL 71 Cb -0.03 -0.59 -0.07 0.00 0.00 0.00 0.00 36.38 35.70 2kgk s VAL 71 CO 0.02 -0.18 1.66 -1.61 0.00 0.00 0.00 175.10 174.99 2kgk s GLU 72 N 2.09 4.19 0.00 2.72 2.02 -1.26 -1.65 118.70 126.81 2kgk s GLU 72 Ca 0.02 2.26 0.00 0.00 0.02 0.00 0.00 54.97 57.27 2kgk s GLU 72 Cb -0.15 -3.84 0.00 0.00 0.10 0.00 0.00 34.13 30.24 2kgk s GLU 72 CO -0.08 -0.80 0.00 0.41 0.02 0.00 0.00 175.26 174.82 2kgk n GLY 73 N 4.08 1.98 3.05 -1.39 0.00 -1.26 -5.05 105.19 106.61 2kgk n GLY 73 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 2kgk n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kgk s GLU 75 N -1.09 3.69 -0.17 0.00 2.56 -1.04 -4.12 118.70 118.53 2kgk s GLU 75 Ca -0.12 0.27 -0.09 0.00 0.00 0.00 0.00 54.97 55.02 2kgk s GLU 75 Cb -0.07 -2.48 -0.05 0.00 2.00 0.00 0.00 34.13 33.54 2kgk s GLU 75 CO 0.01 0.02 0.15 0.08 -0.56 0.00 0.00 175.26 174.96 2kgk s VAL 76 N -2.33 5.42 0.24 3.70 1.01 -1.26 -1.96 120.40 125.23 2kgk s VAL 76 Ca 0.48 0.24 0.10 0.00 0.00 0.00 0.00 61.98 62.80 2kgk s VAL 76 Cb -0.10 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 2kgk s VAL 76 CO 0.33 0.49 -0.18 0.00 0.00 0.00 0.00 175.10 175.74 2kgk s ALA 77 N -0.08 2.43 0.82 5.51 0.00 0.88 -4.91 121.76 126.41 2kgk s ALA 77 Ca 0.11 -1.76 -0.05 0.00 0.00 0.00 0.00 51.96 50.26 2kgk s ALA 77 Cb -0.12 -0.20 0.10 0.00 0.00 0.00 0.00 23.12 22.90 2kgk s ALA 77 CO 0.01 0.21 0.61 0.72 0.00 0.00 0.00 175.76 177.30 2kgk n HIS 78 N -0.43 -3.64 -0.13 0.00 8.25 -1.26 -1.01 115.22 117.00 2kgk n HIS 78 Ca -0.07 -0.72 -0.14 0.00 -0.26 0.00 0.00 57.72 56.52 2kgk n HIS 78 Cb 0.60 -0.46 0.14 0.00 1.12 0.00 0.00 29.99 31.39 2kgk n HIS 78 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2kgk n SER 79 N -3.23 -2.95 0.32 0.41 3.41 -1.26 -4.24 113.62 106.07 2kgk n SER 79 Ca 0.08 -0.41 0.20 0.00 -0.26 0.00 0.00 58.87 58.48 2kgk n SER 79 Cb 0.30 -0.48 1.06 0.00 -0.26 0.00 0.00 64.21 64.83 2kgk n SER 79 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 2kgk h VAL 80 N -2.73 0.12 -0.16 -3.33 3.04 -1.98 -1.86 116.25 109.35 2kgk h VAL 80 Ca -0.18 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.52 2kgk h VAL 80 Cb 0.62 0.91 -0.02 0.00 -2.01 0.00 0.00 31.29 30.80 2kgk h VAL 80 CO 0.11 0.00 0.05 -0.33 -1.01 0.00 0.00 177.57 176.39 2kgk h GLU 81 N 0.00 0.12 -0.06 4.17 5.08 -2.00 0.16 114.58 122.04 2kgk h GLU 81 Ca 0.01 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 2kgk h GLU 81 Cb 0.19 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2kgk h GLU 81 CO -0.00 0.08 -0.30 1.49 -1.00 0.00 0.00 179.01 179.27 2kgk h GLU 82 N 0.12 0.32 -1.00 2.33 4.57 -1.62 -3.22 114.58 116.09 2kgk h GLU 82 Ca 0.07 -0.26 0.12 0.00 -1.18 0.00 0.00 59.36 58.11 2kgk h GLU 82 Cb 0.04 0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 28.60 2kgk h GLU 82 CO -0.07 0.90 0.63 0.28 -1.18 0.00 0.00 179.01 179.57 2kgk h VAL 83 N -0.19 0.91 -0.12 0.32 2.07 -1.38 0.18 116.25 118.03 2kgk h VAL 83 Ca -0.02 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.21 2kgk h VAL 83 Cb 0.96 -0.14 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 2kgk h VAL 83 CO 0.06 0.18 -0.31 0.15 0.02 0.00 0.00 177.57 177.67 2kgk h PHE 84 N 0.97 -0.84 -0.20 1.57 3.57 -0.69 -2.01 116.94 119.30 2kgk h PHE 84 Ca 0.50 0.04 -0.18 0.00 3.53 0.00 0.00 57.97 61.85 2kgk h PHE 84 Cb 0.52 0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.66 2kgk h PHE 84 CO -0.00 -0.39 -0.59 1.05 -2.23 0.00 0.00 178.31 176.15 2kgk h GLU 85 N -0.39 0.75 -1.09 1.11 4.11 -1.46 -3.08 114.58 114.53 2kgk h GLU 85 Ca 0.09 -0.54 0.32 0.00 0.07 0.00 0.00 59.36 59.30 2kgk h GLU 85 Cb 0.53 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 2kgk h GLU 85 CO -0.34 1.16 0.82 1.25 0.07 0.00 0.00 179.01 181.97 2kgk h LEU 86 N 0.47 0.00 -1.08 3.06 7.12 -0.31 0.46 115.31 125.03 2kgk h LEU 86 Ca -0.02 0.00 0.01 0.00 0.13 0.00 0.00 57.88 58.00 2kgk h LEU 86 Cb 1.21 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.29 2kgk h LEU 86 CO 0.13 0.00 0.61 0.00 -0.13 0.00 0.00 178.44 179.05 2kgk n LYS 88 N -4.39 0.25 0.17 0.00 2.85 0.16 -2.25 118.16 114.95 2kgk n LYS 88 Ca 0.11 0.12 0.05 0.00 -1.05 0.00 0.00 58.31 57.54 2kgk n LYS 88 Cb 0.02 -1.50 0.22 0.00 -0.65 0.00 0.00 35.03 33.12 2kgk n LYS 88 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 2kgk h ASN 89 N 0.00 0.00 -3.96 -5.58 -0.73 -0.91 -3.45 115.58 100.95 2kgk h ASN 89 Ca 0.00 0.00 -0.27 0.00 1.87 0.00 0.00 56.30 57.90 2kgk h ASN 89 Cb 0.14 0.00 -0.27 0.00 0.27 0.00 0.00 38.32 38.46 2kgk h ASN 89 CO 0.00 0.42 -0.74 -1.61 -0.37 0.00 0.00 177.43 175.13 2kgk s GLU 90 N -3.33 0.25 0.00 6.67 0.41 -0.96 -5.09 118.70 116.65 2kgk s GLU 90 Ca 0.02 -0.18 0.00 0.00 -0.41 0.00 0.00 54.97 54.40 2kgk s GLU 90 Cb 0.09 -0.20 0.00 0.00 -1.78 0.00 0.00 34.13 32.24 2kgk s GLU 90 CO 0.70 0.05 0.45 -0.85 -0.49 0.00 0.00 175.26 175.13 2kgk n GLU 91 N 2.81 0.00 -3.60 1.61 0.00 -1.26 -4.42 120.64 115.78 2kgk n GLU 91 Ca -0.14 0.31 -0.37 0.00 0.00 0.00 0.00 57.16 56.96 2kgk n GLU 91 Cb 0.58 -0.95 -0.10 0.00 0.00 0.00 0.00 31.44 30.97 2kgk n GLU 91 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2kgk s GLU 92 N -0.91 4.02 0.15 3.44 -1.05 -1.26 -2.27 118.70 120.82 2kgk s GLU 92 Ca 0.00 -0.25 0.10 0.00 -0.15 0.00 0.00 54.97 54.67 2kgk s GLU 92 Cb 0.00 -3.60 -0.04 0.00 -0.44 0.00 0.00 34.13 30.05 2kgk s GLU 92 CO 0.00 -0.07 -0.20 0.96 0.95 0.00 0.00 175.26 176.90 2kgk s ILE 93 N 1.43 2.64 -0.16 1.83 -0.00 -0.97 -4.82 121.20 121.15 2kgk s ILE 93 Ca 0.08 -1.72 -0.01 0.00 -0.00 0.00 0.00 60.65 58.99 2kgk s ILE 93 Cb -0.15 -2.23 -0.01 0.00 -0.00 0.00 0.00 42.46 40.07 2kgk s ILE 93 CO 0.08 0.01 -0.11 -0.36 -0.00 0.00 0.00 174.94 174.56 2kgk s PHE 94 N -1.35 2.86 -0.21 1.37 0.40 -0.92 -1.90 117.98 118.23 2kgk s PHE 94 Ca 0.19 -0.79 -0.00 0.00 -0.60 0.00 0.00 56.93 55.73 2kgk s PHE 94 Cb -0.09 -1.93 0.02 0.00 0.51 0.00 0.00 43.02 41.53 2kgk s PHE 94 CO 0.10 -0.34 -0.13 0.42 0.70 0.00 0.00 175.22 175.97 2kgk s ILE 95 N 0.75 2.49 -0.04 0.64 -1.09 -0.06 -1.48 121.20 122.41 2kgk s ILE 95 Ca -0.05 -0.99 0.22 0.00 -2.23 0.00 0.00 60.65 57.61 2kgk s ILE 95 Cb -0.15 -2.18 -0.34 0.00 -1.58 0.00 0.00 42.46 38.21 2kgk s ILE 95 CO 0.02 0.36 0.46 0.49 -1.23 0.00 0.00 174.94 175.04 2kgk n PHE 96 N 4.64 0.00 0.00 3.97 3.01 0.27 -1.75 117.46 127.60 2kgk n PHE 96 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.28 2kgk n PHE 96 Cb 0.48 -0.52 0.00 0.00 -0.01 0.00 0.00 39.48 39.43 2kgk n PHE 96 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2kgk n GLY 97 N 1.28 0.00 0.00 1.37 0.00 0.20 -4.72 105.19 103.32 2kgk n GLY 97 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2kgk n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgk n GLY 98 N 0.00 1.36 0.23 -0.02 0.00 -1.26 -2.41 105.19 103.09 2kgk n GLY 98 Ca 0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.46 2kgk n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kgk h ALA 99 N 2.00 -0.62 -0.44 4.61 0.00 -1.97 -1.11 119.26 121.72 2kgk h ALA 99 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2kgk h ALA 99 Cb 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2kgk h ALA 99 CO 0.00 -0.58 0.29 -0.56 0.00 0.00 0.00 179.25 178.40 2kgk h GLN 100 N -0.96 0.56 -0.04 0.00 3.07 -1.99 -1.32 115.11 114.42 2kgk h GLN 100 Ca -0.05 -0.03 -0.13 0.00 0.09 0.00 0.00 58.65 58.52 2kgk h GLN 100 Cb 0.41 -0.13 -0.01 0.00 0.08 0.00 0.00 27.48 27.83 2kgk h GLN 100 CO 0.09 0.37 -0.56 0.82 0.09 0.00 0.00 178.83 179.64 2kgk h ILE 101 N 0.58 1.39 -0.17 1.86 1.08 -1.94 -1.09 117.51 119.22 2kgk h ILE 101 Ca 0.17 -1.91 -0.06 0.00 -0.39 0.00 0.00 64.86 62.67 2kgk h ILE 101 Cb -0.04 1.99 -0.00 0.00 -3.07 0.00 0.00 36.82 35.69 2kgk h ILE 101 CO -0.04 0.56 -0.13 0.22 -0.69 0.00 0.00 178.15 178.07 2kgk h TYR 102 N 0.10 0.46 -0.57 1.37 3.20 -0.08 0.76 116.97 122.21 2kgk h TYR 102 Ca -0.00 -0.13 -0.10 0.00 3.14 0.00 0.00 58.73 61.64 2kgk h TYR 102 Cb 1.02 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.17 2kgk h TYR 102 CO 0.01 0.74 -0.04 0.22 -1.64 0.00 0.00 178.16 177.45 2kgk h ASP 103 N 0.06 1.02 0.57 -2.11 3.58 -1.35 0.17 116.42 118.36 2kgk h ASP 103 Ca 0.03 -0.30 -0.09 0.00 0.42 0.00 0.00 57.03 57.09 2kgk h ASP 103 Cb 0.64 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 2kgk h ASP 103 CO 0.03 1.09 -0.44 -0.07 -2.88 0.00 0.00 179.24 176.97 2kgk h LEU 104 N 0.93 0.00 -3.20 2.28 -0.00 -1.15 -2.64 115.31 111.53 2kgk h LEU 104 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.04 2kgk h LEU 104 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.25 2kgk h LEU 104 CO 0.04 0.44 0.00 0.49 -0.00 0.00 0.00 178.44 179.40 2kgk n PHE 105 N -3.83 1.42 -0.17 1.13 3.01 0.26 -4.48 117.46 114.79 2kgk n PHE 105 Ca -0.01 -0.66 -0.06 0.00 1.01 0.00 0.00 57.45 57.73 2kgk n PHE 105 Cb 0.49 -0.28 0.11 0.00 -0.01 0.00 0.00 39.48 39.79 2kgk n PHE 105 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 2kgk h LEU 106 N 3.57 0.91 -0.81 4.37 5.85 -0.28 -1.30 115.31 127.63 2kgk h LEU 106 Ca 0.00 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2kgk h LEU 106 Cb 1.47 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.26 2kgk h LEU 106 CO 0.25 0.93 0.00 -0.81 -0.34 0.00 0.00 178.44 178.47 2kgk n PRO 107 N -4.22 1.52 -0.00 5.25 -0.04 -1.26 -3.61 135.00 132.64 2kgk n PRO 107 Ca 0.04 -0.80 0.01 0.00 -0.04 0.00 0.00 63.50 62.71 2kgk n PRO 107 Cb 0.29 -1.28 -0.02 0.00 -0.04 0.00 0.00 33.50 32.44 2kgk n PRO 107 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2kgk n TYR 108 N 0.07 0.00 -2.78 0.54 4.01 -0.88 -5.04 117.16 113.08 2kgk n TYR 108 Ca 0.12 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.61 2kgk n TYR 108 Cb 0.23 -0.05 0.01 0.00 -0.31 0.00 0.00 39.34 39.21 2kgk n TYR 108 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2kgk s VAL 109 N -2.02 4.33 0.00 -0.72 0.11 -0.54 -4.90 120.40 116.66 2kgk s VAL 109 Ca -0.01 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 2kgk s VAL 109 Cb 0.02 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 31.23 2kgk s VAL 109 CO 0.12 -0.55 0.00 0.47 -3.33 0.00 0.00 175.10 171.81 2kgk n ASP 110 N -2.23 4.12 -4.29 3.54 9.92 -1.02 -4.94 116.55 121.66 2kgk n ASP 110 Ca 0.01 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 53.95 2kgk n ASP 110 Cb 0.57 0.15 -0.16 0.00 -0.64 0.00 0.00 41.12 41.04 2kgk n ASP 110 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2kgk s LYS 111 N -1.95 3.02 -0.23 -1.24 3.01 -0.40 -0.53 119.74 121.41 2kgk s LYS 111 Ca 0.00 -0.82 -0.05 0.00 -1.01 0.00 0.00 55.97 54.09 2kgk s LYS 111 Cb 0.00 -2.37 -0.02 0.00 -1.01 0.00 0.00 37.83 34.43 2kgk s LYS 111 CO 0.00 0.26 0.00 -0.51 0.51 0.00 0.00 175.35 175.61 2kgk s LEU 112 N 0.18 3.11 -0.42 3.17 1.43 -0.17 -2.00 118.68 123.98 2kgk s LEU 112 Ca -0.12 -0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 52.65 2kgk s LEU 112 Cb -0.16 -1.81 0.11 0.00 0.03 0.00 0.00 46.19 44.36 2kgk s LEU 112 CO 0.06 -0.02 0.20 -0.31 0.23 0.00 0.00 176.35 176.51 2kgk s TYR 113 N 1.52 3.59 0.00 0.29 1.51 0.78 -0.90 117.35 124.14 2kgk s TYR 113 Ca 0.06 -2.58 0.06 0.00 -1.01 0.00 0.00 57.07 53.60 2kgk s TYR 113 Cb -0.15 -3.16 -0.02 0.00 -0.11 0.00 0.00 41.96 38.53 2kgk s TYR 113 CO -0.01 -0.95 -0.20 0.42 -1.11 0.00 0.00 175.55 173.71 2kgk s ILE 114 N 0.93 1.55 -0.11 2.71 1.09 -1.17 -0.09 121.20 126.12 2kgk s ILE 114 Ca 0.10 -0.94 0.02 0.00 -1.10 0.00 0.00 60.65 58.72 2kgk s ILE 114 Cb -0.22 -1.31 0.01 0.00 -1.06 0.00 0.00 42.46 39.88 2kgk s ILE 114 CO -0.05 0.35 -0.15 0.28 -0.10 0.00 0.00 174.94 175.27 2kgk s THR 115 N -0.57 1.49 -0.17 2.92 -1.32 -0.88 -1.28 115.64 115.83 2kgk s THR 115 Ca 0.07 -0.64 -0.19 0.00 -1.21 0.00 0.00 61.69 59.73 2kgk s THR 115 Cb -0.08 -1.36 -0.03 0.00 -1.51 0.00 0.00 72.50 69.51 2kgk s THR 115 CO 0.00 0.44 0.52 -0.54 -2.21 0.00 0.00 174.62 172.83 2kgk s LYS 116 N 0.98 4.24 -0.14 7.08 1.02 -0.37 -0.83 119.74 131.73 2kgk s LYS 116 Ca -0.07 0.45 -0.05 0.00 0.02 0.00 0.00 55.97 56.32 2kgk s LYS 116 Cb -0.15 -3.52 -0.04 0.00 -0.52 0.00 0.00 37.83 33.60 2kgk s LYS 116 CO -0.01 -0.06 0.04 0.42 -0.92 0.00 0.00 175.35 174.81 2kgk s ILE 117 N 1.34 4.60 -0.29 2.17 1.01 0.00 -1.30 121.20 128.73 2kgk s ILE 117 Ca 0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.76 2kgk s ILE 117 Cb -0.15 -3.01 0.05 0.00 0.01 0.00 0.00 42.46 39.35 2kgk s ILE 117 CO 0.10 0.53 2.61 1.57 0.00 0.00 0.00 174.94 179.76 2kgk n HIS 118 N 2.87 1.17 -3.39 3.97 -0.00 -0.80 -2.73 115.22 116.31 2kgk n HIS 118 Ca -0.18 -1.79 0.02 0.00 0.46 0.00 0.00 57.72 56.22 2kgk n HIS 118 Cb 0.53 -1.21 -0.04 0.00 -0.12 0.00 0.00 29.99 29.15 2kgk n HIS 118 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kgk s HIS 119 N -1.14 -0.55 -0.12 1.57 5.65 -1.26 -4.77 115.29 114.67 2kgk s HIS 119 Ca 0.46 0.96 -0.30 0.00 0.25 0.00 0.00 55.06 56.44 2kgk s HIS 119 Cb 0.29 0.33 0.12 0.00 -1.18 0.00 0.00 32.58 32.14 2kgk s HIS 119 CO -0.10 -0.27 0.97 0.00 -0.65 0.00 0.00 174.74 174.70 2kgk s ALA 120 N 2.26 -1.91 0.08 1.58 0.00 -1.26 -4.71 121.76 117.80 2kgk s ALA 120 Ca -0.03 1.45 0.04 0.00 0.00 0.00 0.00 51.96 53.42 2kgk s ALA 120 Cb -0.05 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 2kgk s ALA 120 CO -0.17 -0.41 -0.11 0.12 0.00 0.00 0.00 175.76 175.19 2kgk s PHE 121 N -1.63 1.05 0.10 0.00 5.36 -1.26 -4.67 117.98 116.93 2kgk s PHE 121 Ca 0.00 -0.57 -0.11 0.00 -0.96 0.00 0.00 56.93 55.29 2kgk s PHE 121 Cb -0.01 -0.58 -0.07 0.00 -0.34 0.00 0.00 43.02 42.02 2kgk s PHE 121 CO -0.01 0.01 0.18 0.39 -1.46 0.00 0.00 175.22 174.33 2kgk n GLU 122 N 0.92 0.00 0.00 10.12 1.02 -1.26 -4.43 120.64 127.00 2kgk n GLU 122 Ca -0.19 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 2kgk n GLU 122 Cb 0.56 -0.41 0.00 0.00 -0.02 0.00 0.00 31.44 31.57 2kgk n GLU 122 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kgk n GLY 123 N 0.85 3.20 0.71 0.62 0.00 -1.01 -4.36 105.19 105.19 2kgk n GLY 123 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2kgk n GLY 123 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kgk n ASP 124 N 0.00 1.13 -4.41 1.61 2.03 0.26 -4.96 116.55 112.21 2kgk n ASP 124 Ca 0.00 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.87 2kgk n ASP 124 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 2kgk n ASP 124 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2kgk s THR 125 N -1.77 4.81 0.08 5.18 2.01 -0.85 -4.97 115.64 120.13 2kgk s THR 125 Ca 0.00 -0.72 0.10 0.00 0.31 0.00 0.00 61.69 61.38 2kgk s THR 125 Cb 0.00 -4.41 -0.03 0.00 0.01 0.00 0.00 72.50 68.06 2kgk s THR 125 CO 0.00 -1.00 -0.26 0.72 -0.69 0.00 0.00 174.62 173.39 2kgk s PHE 126 N 2.75 2.24 -0.22 4.92 -0.71 -1.26 -1.79 117.98 123.91 2kgk s PHE 126 Ca 0.14 -0.40 -0.08 0.00 -1.04 0.00 0.00 56.93 55.56 2kgk s PHE 126 Cb -0.21 -1.29 -0.04 0.00 -1.21 0.00 0.00 43.02 40.27 2kgk s PHE 126 CO 0.09 0.20 0.08 0.12 -1.34 0.00 0.00 175.22 174.37 2kgk s PHE 127 N -0.92 3.16 0.19 3.49 5.36 -1.01 -4.77 117.98 123.48 2kgk s PHE 127 Ca 0.12 -0.16 -0.03 0.00 -0.96 0.00 0.00 56.93 55.90 2kgk s PHE 127 Cb -0.10 -2.18 0.05 0.00 -0.34 0.00 0.00 43.02 40.45 2kgk s PHE 127 CO 0.04 -0.12 0.17 -0.35 -1.46 0.00 0.00 175.22 173.50 2kgk n PRO 128 N 4.32 -1.23 -1.96 10.12 -0.04 -1.26 -4.85 135.00 140.10 2kgk n PRO 128 Ca -0.16 -0.27 -0.41 0.00 -0.04 0.00 0.00 63.50 62.62 2kgk n PRO 128 Cb 0.52 -0.25 -0.00 0.00 -0.04 0.00 0.00 33.50 33.73 2kgk n PRO 128 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2kgk n GLU 129 N -1.96 3.85 -3.07 0.54 0.28 -1.26 -4.63 120.64 114.38 2kgk n GLU 129 Ca 0.02 -3.15 -0.21 0.00 -0.16 0.00 0.00 57.16 53.67 2kgk n GLU 129 Cb 0.09 -2.86 -0.03 0.00 1.43 0.00 0.00 31.44 30.07 2kgk n GLU 129 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 2kgk n MET 130 N 3.42 1.80 -2.96 3.44 2.81 -1.26 -5.03 117.12 119.33 2kgk n MET 130 Ca 0.56 -3.90 -0.44 0.00 -1.81 0.00 0.00 57.70 52.10 2kgk n MET 130 Cb 0.30 -1.88 -0.02 0.00 -0.71 0.00 0.00 33.22 30.91 2kgk n MET 130 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 2kgk s ASP 131 N -2.83 6.67 -0.14 7.83 1.47 -1.26 -4.73 116.67 123.68 2kgk s ASP 131 Ca 0.43 -2.16 0.20 0.00 1.18 0.00 0.00 52.55 52.20 2kgk s ASP 131 Cb 0.33 -2.39 0.45 0.00 -0.34 0.00 0.00 42.92 40.97 2kgk s ASP 131 CO -0.10 -1.01 1.17 0.23 0.68 0.00 0.00 175.17 176.15 2kgk n MET 132 N 6.30 1.15 -0.15 2.11 2.81 -1.26 -4.91 117.12 123.17 2kgk n MET 132 Ca 0.24 -2.88 -0.14 0.00 -1.81 0.00 0.00 57.70 53.12 2kgk n MET 132 Cb 0.49 -0.98 -0.10 0.00 -0.71 0.00 0.00 33.22 31.92 2kgk n MET 132 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kgk h THR 133 N 4.76 0.01 0.00 2.03 1.03 -2.06 -3.44 112.91 115.23 2kgk h THR 133 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.31 2kgk h THR 133 Cb 1.51 0.01 0.00 0.00 -1.07 0.00 0.00 68.15 68.60 2kgk h THR 133 CO 0.17 0.00 0.00 -3.20 -0.01 0.00 0.00 175.52 172.48 2kgk n ASN 134 N -5.38 0.00 -4.72 0.00 5.15 -1.26 -4.98 115.26 104.07 2kgk n ASN 134 Ca -0.03 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.61 2kgk n ASN 134 Cb 0.34 -0.56 0.10 0.00 -0.53 0.00 0.00 39.78 39.13 2kgk n ASN 134 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 2kgk s TRP 135 N -3.30 1.99 -0.09 1.20 0.52 -1.26 -4.99 118.94 113.01 2kgk s TRP 135 Ca 0.00 1.62 -0.15 0.00 0.02 0.00 0.00 56.10 57.58 2kgk s TRP 135 Cb 0.00 -3.48 -0.05 0.00 -1.15 0.00 0.00 33.47 28.79 2kgk s TRP 135 CO 0.00 -2.68 0.39 0.15 0.02 0.00 0.00 176.95 174.83 2kgk s LYS 136 N -3.97 4.14 0.50 4.98 -0.14 -1.26 -4.97 119.74 119.04 2kgk s LYS 136 Ca 0.74 0.32 0.01 0.00 -1.36 0.00 0.00 55.97 55.69 2kgk s LYS 136 Cb -0.29 -3.35 0.02 0.00 -1.68 0.00 0.00 37.83 32.53 2kgk s LYS 136 CO 0.47 0.38 0.72 -1.83 -0.76 0.00 0.00 175.35 174.33 2kgk s GLU 137 N -0.06 2.75 0.05 1.68 -1.05 -1.26 -1.25 118.70 119.56 2kgk s GLU 137 Ca 0.22 -0.71 0.00 0.00 -0.15 0.00 0.00 54.97 54.33 2kgk s GLU 137 Cb -0.15 -2.53 0.00 0.00 -0.44 0.00 0.00 34.13 31.01 2kgk s GLU 137 CO 0.09 -0.52 0.00 1.33 0.95 0.00 0.00 175.26 177.11 2kgk n VAL 138 N -2.21 0.02 -4.22 1.83 0.24 -0.70 -4.89 118.33 108.39 2kgk n VAL 138 Ca 0.06 0.01 -0.18 0.00 -2.04 0.00 0.00 64.34 62.18 2kgk n VAL 138 Cb 0.59 -0.58 -0.11 0.00 -1.47 0.00 0.00 33.84 32.27 2kgk n VAL 138 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 2kgk s PHE 139 N -2.00 1.33 -0.01 6.34 5.36 -1.26 -5.05 117.98 122.69 2kgk s PHE 139 Ca 0.00 -0.54 0.00 0.00 -0.96 0.00 0.00 56.93 55.43 2kgk s PHE 139 Cb 0.00 -0.71 0.01 0.00 -0.34 0.00 0.00 43.02 41.98 2kgk s PHE 139 CO 0.00 0.11 0.00 0.08 -1.46 0.00 0.00 175.22 173.95 2kgk s VAL 140 N -1.96 0.06 0.06 3.12 1.01 -1.26 -1.68 120.40 119.75 2kgk s VAL 140 Ca 0.06 0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.16 2kgk s VAL 140 Cb -0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 2kgk s VAL 140 CO 0.02 0.05 -0.23 -0.70 0.00 0.00 0.00 175.10 174.25 2kgk s GLU 141 N 0.37 1.46 0.14 2.72 2.56 -0.84 -5.02 118.70 120.08 2kgk s GLU 141 Ca -0.03 -1.06 0.07 0.00 0.00 0.00 0.00 54.97 53.94 2kgk s GLU 141 Cb -0.05 -1.65 -0.04 0.00 2.00 0.00 0.00 34.13 34.39 2kgk s GLU 141 CO -0.01 0.41 -0.05 -1.59 -0.56 0.00 0.00 175.26 173.47 2kgk s LYS 142 N -1.40 2.28 0.00 4.30 0.00 -1.26 -0.09 119.74 123.56 2kgk s LYS 142 Ca 0.09 -1.06 0.00 0.00 0.00 0.00 0.00 55.97 55.01 2kgk s LYS 142 Cb -0.09 -2.34 0.00 0.00 0.00 0.00 0.00 37.83 35.40 2kgk s LYS 142 CO 0.03 0.48 0.00 0.41 0.00 0.00 0.00 175.35 176.27 2kgk n GLY 143 N 0.31 2.77 3.61 0.59 0.00 0.09 -4.91 105.19 107.66 2kgk n GLY 143 Ca -0.11 -1.98 -0.03 0.00 0.00 0.00 0.00 46.02 43.89 2kgk n GLY 143 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kgk s LEU 144 N 0.00 -0.15 0.75 0.99 2.96 -1.26 -4.81 118.68 117.15 2kgk s LEU 144 Ca 0.00 -0.10 -0.11 0.00 -0.22 0.00 0.00 54.13 53.70 2kgk s LEU 144 Cb 0.00 1.58 0.04 0.00 0.50 0.00 0.00 46.19 48.31 2kgk s LEU 144 CO 0.00 -0.40 1.10 0.28 -1.32 0.00 0.00 176.35 176.01 2kgk s THR 145 N -2.64 3.28 0.15 3.68 -1.32 -0.86 -4.65 115.64 113.28 2kgk s THR 145 Ca 0.11 0.42 -0.09 0.00 -1.21 0.00 0.00 61.69 60.91 2kgk s THR 145 Cb 0.01 -3.31 -0.01 0.00 -1.51 0.00 0.00 72.50 67.69 2kgk s THR 145 CO -0.04 -0.54 0.26 -0.62 -2.21 0.00 0.00 174.62 171.46 2kgk s ASP 146 N -4.17 0.06 0.22 8.08 -1.08 0.81 -4.89 116.67 115.70 2kgk s ASP 146 Ca 0.59 -0.82 -0.07 0.00 -0.52 0.00 0.00 52.55 51.72 2kgk s ASP 146 Cb -0.12 0.41 0.19 0.00 -1.46 0.00 0.00 42.92 41.94 2kgk s ASP 146 CO 0.53 -0.85 1.83 -0.08 0.52 0.00 0.00 175.17 177.11 2kgk h GLU 147 N 2.59 1.22 0.00 4.34 4.57 -2.00 -1.36 114.58 123.95 2kgk h GLU 147 Ca -0.32 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 2kgk h GLU 147 Cb 1.22 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 2kgk h GLU 147 CO 0.50 0.92 -0.85 1.57 -1.18 0.00 0.00 179.01 179.97 2kgk h LYS 148 N 1.21 0.00 -2.47 1.92 -0.00 -2.02 -3.40 116.57 111.81 2kgk h LYS 148 Ca 0.30 0.00 -0.59 0.00 -0.00 0.00 0.00 60.65 60.36 2kgk h LYS 148 Cb 0.08 0.00 -0.39 0.00 -0.00 0.00 0.00 32.23 31.92 2kgk h LYS 148 CO -0.04 0.00 -0.89 0.09 -0.00 0.00 0.00 179.45 178.61 2kgk n ASN 149 N -2.71 0.57 -4.41 7.07 3.02 -0.96 -5.05 115.26 112.79 2kgk n ASN 149 Ca 0.01 -2.65 -0.37 0.00 -0.03 0.00 0.00 54.58 51.54 2kgk n ASN 149 Cb 0.54 -0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 39.07 2kgk n ASN 149 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2kgk n PRO 150 N 2.37 2.35 -0.53 3.52 -0.04 -0.55 -0.13 135.00 141.98 2kgk n PRO 150 Ca 0.27 -2.75 0.00 0.00 -0.04 0.00 0.00 63.50 60.98 2kgk n PRO 150 Cb 0.45 -3.52 0.00 0.00 -0.04 0.00 0.00 33.50 30.39 2kgk n PRO 150 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2kgk n TYR 151 N 10.57 -0.21 -3.68 0.54 4.01 -1.26 -4.90 117.16 122.22 2kgk n TYR 151 Ca 0.48 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 58.12 2kgk n TYR 151 Cb 0.45 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.38 2kgk n TYR 151 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2kgk s THR 152 N -2.31 -0.02 0.19 -0.72 2.01 -1.26 -2.03 115.64 111.50 2kgk s THR 152 Ca 0.00 0.06 -0.05 0.00 0.31 0.00 0.00 61.69 62.01 2kgk s THR 152 Cb 0.00 -0.73 -0.03 0.00 0.01 0.00 0.00 72.50 71.75 2kgk s THR 152 CO 0.00 0.02 0.21 -0.72 -0.69 0.00 0.00 174.62 173.45 2kgk s TYR 153 N 1.39 0.78 0.05 4.92 -0.85 -1.26 -1.90 117.35 120.49 2kgk s TYR 153 Ca -0.09 -1.09 0.00 0.00 -0.52 0.00 0.00 57.07 55.37 2kgk s TYR 153 Cb -0.07 -0.30 -0.03 0.00 0.38 0.00 0.00 41.96 41.94 2kgk s TYR 153 CO -0.14 -0.70 -0.04 0.71 -1.52 0.00 0.00 175.55 173.86 2kgk s TYR 154 N -4.07 0.56 -0.00 -3.49 1.51 -0.42 -0.73 117.35 110.71 2kgk s TYR 154 Ca 0.28 -0.85 0.07 0.00 -1.01 0.00 0.00 57.07 55.57 2kgk s TYR 154 Cb 0.05 -0.38 -0.03 0.00 -0.11 0.00 0.00 41.96 41.50 2kgk s TYR 154 CO 0.07 -0.25 -0.23 -0.47 -1.11 0.00 0.00 175.55 173.56 2kgk s TYR 155 N -3.00 2.44 -0.05 2.71 6.14 0.87 -1.24 117.35 125.22 2kgk s TYR 155 Ca 0.01 -0.35 0.03 0.00 0.64 0.00 0.00 57.07 57.40 2kgk s TYR 155 Cb 0.01 -1.49 0.01 0.00 0.42 0.00 0.00 41.96 40.91 2kgk s TYR 155 CO -0.06 0.09 -0.13 -3.38 0.64 0.00 0.00 175.55 172.72 2kgk s HIS 156 N -0.73 1.38 -0.31 4.97 -3.43 -0.40 -1.98 115.29 114.79 2kgk s HIS 156 Ca 0.11 -0.43 -0.08 0.00 -0.80 0.00 0.00 55.06 53.86 2kgk s HIS 156 Cb -0.10 -0.98 0.01 0.00 -1.43 0.00 0.00 32.58 30.08 2kgk s HIS 156 CO 0.01 -0.19 0.12 0.08 -2.00 0.00 0.00 174.74 172.76 2kgk s VAL 157 N 0.35 4.27 0.15 -5.38 1.01 -0.68 -3.03 120.40 117.11 2kgk s VAL 157 Ca -0.08 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.35 2kgk s VAL 157 Cb -0.12 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 2kgk s VAL 157 CO 0.02 0.04 0.01 -0.31 0.00 0.00 0.00 175.10 174.86 2kgk s TYR 158 N 1.55 2.89 -0.10 5.22 1.51 -0.08 -1.72 117.35 126.61 2kgk s TYR 158 Ca 0.03 -0.11 -0.22 0.00 -1.01 0.00 0.00 57.07 55.77 2kgk s TYR 158 Cb -0.17 -1.42 0.05 0.00 -0.11 0.00 0.00 41.96 40.31 2kgk s TYR 158 CO 0.04 0.51 0.52 -1.83 -1.11 0.00 0.00 175.55 173.68 2kgk s GLU 159 N -2.81 0.78 0.59 -0.62 4.04 -0.38 -1.00 118.70 119.31 2kgk s GLU 159 Ca 0.27 0.35 -0.13 0.00 0.04 0.00 0.00 54.97 55.49 2kgk s GLU 159 Cb -0.10 0.37 -0.05 0.00 0.02 0.00 0.00 34.13 34.37 2kgk s GLU 159 CO 0.19 -0.18 1.02 0.21 -1.84 0.00 0.00 175.26 174.65 2kgk s LYS 160 N -0.61 3.59 0.00 -4.83 2.20 0.31 -3.98 119.74 116.42 2kgk s LYS 160 Ca -0.07 0.91 0.00 0.00 -0.36 0.00 0.00 55.97 56.45 2kgk s LYS 160 Cb -0.03 -2.08 0.00 0.00 -1.51 0.00 0.00 37.83 34.21 2kgk s LYS 160 CO 0.05 -0.57 0.45 1.04 -0.36 0.00 0.00 175.35 175.95 2kgk n GLN 161 N -2.31 0.54 0.00 4.03 3.00 -1.26 -5.03 117.38 116.35 2kgk n GLN 161 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2kgk n GLN 161 Cb 0.54 -1.09 0.00 0.00 0.00 0.00 0.00 30.24 29.69 2kgk n GLN 161 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10