#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 0.29 -0.20 3.17 1.01 0.74 -5.01 121.20 121.21 2kgk s ILE 2 Ca 0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 60.65 60.23 2kgk s ILE 2 Cb 0.00 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.62 2kgk s ILE 2 CO 0.00 -0.20 0.00 0.54 0.00 0.00 0.00 174.94 175.28 2kgk s VAL 3 N 1.97 3.96 0.13 2.92 0.11 -1.26 -1.95 120.40 126.28 2kgk s VAL 3 Ca 0.00 -0.31 0.10 0.00 -2.93 0.00 0.00 61.98 58.84 2kgk s VAL 3 Cb -0.16 -2.79 -0.04 0.00 -1.53 0.00 0.00 36.38 31.85 2kgk s VAL 3 CO -0.08 0.43 -0.20 -0.94 -3.33 0.00 0.00 175.10 170.98 2kgk s SER 4 N 0.99 3.75 -0.09 3.54 1.04 -0.94 -0.99 113.70 121.00 2kgk s SER 4 Ca 0.02 -0.63 0.02 0.00 0.48 0.00 0.00 55.95 55.83 2kgk s SER 4 Cb -0.14 -0.46 -0.02 0.00 0.10 0.00 0.00 66.02 65.50 2kgk s SER 4 CO 0.02 0.17 -0.15 -0.36 0.98 0.00 0.00 173.24 173.89 2kgk s PHE 5 N -1.23 2.72 -0.29 5.02 0.40 0.55 -1.01 117.98 124.14 2kgk s PHE 5 Ca 0.18 -0.46 0.00 0.00 -0.60 0.00 0.00 56.93 56.05 2kgk s PHE 5 Cb -0.10 -1.73 0.09 0.00 0.51 0.00 0.00 43.02 41.79 2kgk s PHE 5 CO 0.10 -0.05 0.05 1.41 0.70 0.00 0.00 175.22 177.43 2kgk s MET 6 N -0.15 1.04 0.02 0.44 1.75 -0.15 -0.34 119.30 121.90 2kgk s MET 6 Ca -0.01 -1.15 0.01 0.00 -1.25 0.00 0.00 55.69 53.28 2kgk s MET 6 Cb -0.14 -2.36 -0.02 0.00 2.84 0.00 0.00 34.83 35.16 2kgk s MET 6 CO 0.03 -0.87 -0.04 0.14 -0.65 0.00 0.00 175.02 173.64 2kgk s VAL 7 N 1.45 0.25 0.92 10.11 -7.23 -0.99 -4.55 120.40 120.37 2kgk s VAL 7 Ca 0.06 -0.75 -0.13 0.00 -1.81 0.00 0.00 61.98 59.34 2kgk s VAL 7 Cb -0.18 -0.33 0.15 0.00 0.56 0.00 0.00 36.38 36.57 2kgk s VAL 7 CO -0.16 -0.33 1.18 0.00 -0.31 0.00 0.00 175.10 175.48 2kgk s ALA 8 N -1.08 1.99 -0.27 1.32 0.00 -1.26 -2.68 121.76 119.77 2kgk s ALA 8 Ca -0.10 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.13 2kgk s ALA 8 Cb -0.08 -2.96 0.12 0.00 0.00 0.00 0.00 23.12 20.21 2kgk s ALA 8 CO -0.00 -2.26 0.26 1.41 0.00 0.00 0.00 175.76 175.17 2kgk s MET 9 N -5.47 0.28 0.18 0.00 0.00 0.38 -4.60 119.30 110.07 2kgk s MET 9 Ca 0.66 -0.11 -0.30 0.00 0.00 0.00 0.00 55.69 55.94 2kgk s MET 9 Cb -0.11 -0.82 -0.08 0.00 0.00 0.00 0.00 34.83 33.82 2kgk s MET 9 CO 0.52 -0.95 1.13 -0.51 0.00 0.00 0.00 175.02 175.22 2kgk s ASP 10 N 2.33 7.21 0.56 1.11 1.01 -0.98 -2.36 116.67 125.55 2kgk s ASP 10 Ca 0.09 2.13 0.24 0.00 0.71 0.00 0.00 52.55 55.73 2kgk s ASP 10 Cb -0.15 -2.60 1.60 0.00 1.01 0.00 0.00 42.92 42.78 2kgk s ASP 10 CO -0.29 -0.27 2.21 1.05 0.21 0.00 0.00 175.17 178.08 2kgk h GLU 11 N 5.16 0.00 -0.05 8.23 4.11 -1.85 -2.56 114.58 127.62 2kgk h GLU 11 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 2kgk h GLU 11 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2kgk h GLU 11 CO 0.73 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.90 2kgk n ASN 12 N -4.12 1.71 0.00 3.06 3.02 -1.26 -5.05 115.26 112.63 2kgk n ASN 12 Ca -0.03 -1.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.01 2kgk n ASN 12 Cb 0.09 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 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 0.04 0.00 0.00 3.52 5.12 -0.96 -4.76 116.66 119.61 2kgk n ARG 13 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 2kgk n ARG 13 Cb 0.18 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.48 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 0.23 1.55 3.14 -0.51 -2.50 118.33 120.23 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 -0.53 0.00 0.00 -1.06 0.00 0.00 33.84 32.25 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 -2.29 0.00 -1.91 1.55 -5.35 -1.13 -2.33 119.36 107.90 2kgk n ILE 15 Ca 0.00 0.00 -0.27 0.00 -0.27 0.00 0.00 62.75 62.21 2kgk n ILE 15 Cb 0.27 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.12 2kgk n ILE 15 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2kgk s GLY 16 N -2.00 -0.07 0.09 3.28 0.00 -1.24 -3.97 107.32 103.42 2kgk s GLY 16 Ca 0.00 -1.11 0.05 0.00 0.00 0.00 0.00 44.72 43.66 2kgk s GLY 16 CO 0.00 3.68 1.18 0.07 0.00 0.00 0.00 173.10 178.02 2kgk h LYS 17 N 12.76 0.06 0.00 2.90 2.10 -1.35 0.89 116.57 133.93 2kgk h LYS 17 Ca -0.01 -0.11 -0.19 0.00 -2.00 0.00 0.00 60.65 58.34 2kgk h LYS 17 Cb 1.05 0.04 -0.14 0.00 -0.90 0.00 0.00 32.23 32.28 2kgk h LYS 17 CO 1.17 1.00 -0.28 -3.47 -2.00 0.00 0.00 179.45 175.87 2kgk n ASP 18 N -3.36 -2.02 0.00 7.07 -0.08 -1.26 -2.45 116.55 114.45 2kgk n ASP 18 Ca -0.04 -3.06 0.00 0.00 -1.51 0.00 0.00 54.79 50.18 2kgk n ASP 18 Cb 0.97 1.65 0.00 0.00 2.34 0.00 0.00 41.12 46.08 2kgk n ASP 18 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2kgk n ASN 19 N 0.54 0.00 -3.64 1.67 5.15 -1.26 -4.94 115.26 112.77 2kgk n ASN 19 Ca 0.03 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 53.97 2kgk n ASN 19 Cb 0.71 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.96 2kgk n ASN 19 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2kgk s ASN 20 N -3.24 -0.13 0.37 1.20 0.02 -1.26 -4.42 114.94 107.47 2kgk s ASN 20 Ca 0.00 -0.48 -0.16 0.00 -1.02 0.00 0.00 52.86 51.20 2kgk s ASN 20 Cb 0.00 0.49 -0.09 0.00 0.02 0.00 0.00 41.25 41.67 2kgk s ASN 20 CO 0.00 -0.93 0.80 -1.48 0.02 0.00 0.00 177.10 175.51 2kgk s LEU 21 N -3.05 3.98 -0.88 0.60 2.34 -1.25 -1.01 118.68 119.41 2kgk s LEU 21 Ca 0.14 1.35 -0.24 0.00 0.06 0.00 0.00 54.13 55.45 2kgk s LEU 21 Cb -0.02 -4.19 -0.17 0.00 -0.56 0.00 0.00 46.19 41.26 2kgk s LEU 21 CO 0.03 -0.29 1.91 -0.81 -1.06 0.00 0.00 176.35 176.13 2kgk n PRO 22 N -0.64 1.16 -0.57 1.48 -0.04 -1.26 -4.93 135.00 130.20 2kgk n PRO 22 Ca 0.04 -1.97 -0.30 0.00 -0.04 0.00 0.00 63.50 61.23 2kgk n PRO 22 Cb 0.53 -3.33 0.22 0.00 -0.04 0.00 0.00 33.50 30.88 2kgk n PRO 22 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2kgk n TRP 23 N 12.12 -1.25 0.00 0.54 2.14 -1.26 -5.02 117.44 124.71 2kgk n TRP 23 Ca 0.46 -0.00 0.00 0.00 2.07 0.00 0.00 57.50 60.03 2kgk n TRP 23 Cb 0.44 -1.67 0.00 0.00 -0.81 0.00 0.00 31.31 29.27 2kgk n TRP 23 CO 0.00 0.00 0.00 -2.13 2.07 0.00 0.00 177.69 177.63 2kgk n ARG 24 N -3.68 0.00 -2.90 -2.67 3.00 -1.26 -5.09 116.66 104.07 2kgk n ARG 24 Ca 0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.83 2kgk n ARG 24 Cb 0.57 0.00 0.01 0.00 0.00 0.00 0.00 32.46 33.04 2kgk n ARG 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2kgk n LEU 25 N 0.00 -7.39 0.15 6.15 7.99 -1.26 -4.68 117.00 117.96 2kgk n LEU 25 Ca 0.00 0.30 0.18 0.00 -0.01 0.00 0.00 56.01 56.48 2kgk n LEU 25 Cb 0.00 -3.32 0.78 0.00 -0.11 0.00 0.00 43.42 40.78 2kgk n LEU 25 CO 0.00 -1.85 1.16 1.55 -1.51 0.00 0.00 177.39 176.74 2kgk h PRO 26 N 1.38 0.00 -0.56 3.23 0.13 -1.98 -0.71 132.00 133.48 2kgk h PRO 26 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 2kgk h PRO 26 Cb 0.99 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 2kgk h PRO 26 CO 0.23 0.00 -0.04 1.03 -0.23 0.00 0.00 178.00 178.99 2kgk h SER 27 N 0.00 1.00 -0.32 1.44 0.87 -2.00 -2.57 113.55 111.96 2kgk h SER 27 Ca 0.13 -0.30 -0.07 0.00 -1.23 0.00 0.00 61.79 60.33 2kgk h SER 27 Cb 0.71 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 2kgk h SER 27 CO -0.00 1.08 -0.07 -0.08 -0.53 0.00 0.00 176.83 177.23 2kgk h GLU 28 N 0.92 0.62 -0.35 2.24 4.81 -1.44 -1.43 114.58 119.95 2kgk h GLU 28 Ca 0.16 -0.23 0.10 0.00 -0.13 0.00 0.00 59.36 59.26 2kgk h GLU 28 Cb 0.59 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2kgk h GLU 28 CO 0.04 0.79 0.37 1.25 -0.73 0.00 0.00 179.01 180.72 2kgk h LEU 29 N 0.40 0.00 0.11 1.64 5.85 -1.32 0.98 115.31 122.97 2kgk h LEU 29 Ca 0.08 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.56 2kgk h LEU 29 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.59 2kgk h LEU 29 CO 0.03 0.00 -1.20 1.56 -0.34 0.00 0.00 178.44 178.49 2kgk h GLN 30 N 0.00 0.23 -0.52 1.25 4.20 -0.98 -2.51 115.11 116.77 2kgk h GLN 30 Ca 0.17 -0.39 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 2kgk h GLN 30 Cb 0.90 0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.80 2kgk h GLN 30 CO -0.00 1.19 0.31 -0.92 -0.67 0.00 0.00 178.83 178.73 2kgk h TYR 31 N -0.40 0.70 0.10 2.96 3.20 -0.14 -0.02 116.97 123.37 2kgk h TYR 31 Ca -0.26 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.60 2kgk h TYR 31 Cb 1.67 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.71 2kgk h TYR 31 CO 0.15 0.49 -0.05 -0.24 -1.64 0.00 0.00 178.16 176.87 2kgk h VAL 32 N 0.70 1.14 -0.79 1.81 3.04 -1.02 -1.58 116.25 119.54 2kgk h VAL 32 Ca 0.19 -1.12 0.19 0.00 -1.01 0.00 0.00 66.70 64.94 2kgk h VAL 32 Cb 0.00 1.83 -0.05 0.00 -2.01 0.00 0.00 31.29 31.06 2kgk h VAL 32 CO -0.03 0.26 0.54 0.50 -1.01 0.00 0.00 177.57 177.83 2kgk h LYS 33 N -0.67 0.28 0.00 4.17 3.11 -1.40 0.36 116.57 122.42 2kgk h LYS 33 Ca -0.01 -0.02 -0.14 0.00 -2.81 0.00 0.00 60.65 57.67 2kgk h LYS 33 Cb 0.53 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.68 2kgk h LYS 33 CO 0.02 0.18 -0.66 -0.22 -2.81 0.00 0.00 179.45 175.96 2kgk h LYS 34 N 0.28 0.00 0.00 1.90 1.63 -0.89 -1.02 116.57 118.47 2kgk h LYS 34 Ca 0.40 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.99 2kgk h LYS 34 Cb 1.12 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.72 2kgk h LYS 34 CO -0.10 0.66 -1.04 0.00 -3.45 0.00 0.00 179.45 175.52 2kgk h THR 35 N 0.00 1.37 0.00 1.00 1.03 0.65 -3.30 112.91 113.67 2kgk h THR 35 Ca -0.01 -3.03 0.00 0.00 -0.01 0.00 0.00 66.41 63.36 2kgk h THR 35 Cb 1.37 2.67 0.00 0.00 -1.07 0.00 0.00 68.15 71.12 2kgk h THR 35 CO 0.09 0.78 -1.25 1.07 -0.01 0.00 0.00 175.52 176.20 2kgk n THR 36 N -3.26 0.38 -1.63 0.00 5.66 0.01 -4.91 114.28 110.53 2kgk n THR 36 Ca -0.03 -0.48 -0.64 0.00 -3.05 0.00 0.00 64.05 59.86 2kgk n THR 36 Cb 0.91 -0.16 -0.09 0.00 -1.55 0.00 0.00 70.33 69.44 2kgk n THR 36 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 175.07 173.17 2kgk n MET 37 N -2.44 0.00 0.00 1.09 3.85 -0.39 0.10 117.12 119.33 2kgk n MET 37 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.70 56.69 2kgk n MET 37 Cb 0.53 -1.42 0.00 0.00 -1.05 0.00 0.00 33.22 31.28 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 3.55 2.85 3.78 3.17 0.00 -0.99 -5.04 105.19 112.51 2kgk n GLY 38 Ca 0.28 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.36 3.35 0.18 1.61 3.76 0.29 -4.96 115.29 118.15 2kgk s HIS 39 Ca 0.00 1.66 -0.30 0.00 -0.15 0.00 0.00 55.06 56.28 2kgk s HIS 39 Cb 0.00 -3.10 -0.08 0.00 1.11 0.00 0.00 32.58 30.52 2kgk s HIS 39 CO 0.00 -0.49 1.07 -1.25 -0.85 0.00 0.00 174.74 173.22 2kgk s PRO 40 N -2.40 4.63 -0.22 8.40 0.04 -1.26 -4.53 135.00 139.66 2kgk s PRO 40 Ca 0.56 1.67 -0.02 0.00 0.04 0.00 0.00 61.00 63.25 2kgk s PRO 40 Cb -0.22 -3.29 0.01 0.00 0.04 0.00 0.00 34.50 31.04 2kgk s PRO 40 CO 0.27 0.13 -0.08 -0.51 0.04 0.00 0.00 177.00 176.85 2kgk s LEU 41 N -0.42 2.81 -0.41 -3.56 1.43 -0.64 -1.67 118.68 116.22 2kgk s LEU 41 Ca 0.48 -0.59 -0.11 0.00 -1.03 0.00 0.00 54.13 52.87 2kgk s LEU 41 Cb -0.28 -1.66 0.05 0.00 0.03 0.00 0.00 46.19 44.33 2kgk s LEU 41 CO 0.34 -0.05 0.26 -0.63 0.23 0.00 0.00 176.35 176.50 2kgk s ILE 42 N 1.39 4.59 0.32 -0.59 1.09 -0.99 0.23 121.20 127.24 2kgk s ILE 42 Ca 0.04 -1.08 0.09 0.00 -1.10 0.00 0.00 60.65 58.60 2kgk s ILE 42 Cb -0.15 -3.68 -0.05 0.00 -1.06 0.00 0.00 42.46 37.53 2kgk s ILE 42 CO -0.06 -0.39 0.05 -0.04 -0.10 0.00 0.00 174.94 174.40 2kgk s MET 43 N 1.53 2.23 0.63 2.79 -1.94 0.90 0.43 119.30 125.87 2kgk s MET 43 Ca 0.03 -1.59 -0.15 0.00 -1.71 0.00 0.00 55.69 52.26 2kgk s MET 43 Cb -0.21 -2.08 -0.02 0.00 2.01 0.00 0.00 34.83 34.53 2kgk s MET 43 CO 0.05 0.19 1.09 0.20 -0.01 0.00 0.00 175.02 176.54 2kgk s GLY 44 N -3.75 2.16 0.10 -0.03 0.00 -1.00 -1.66 107.32 103.14 2kgk s GLY 44 Ca 0.35 0.49 -0.17 0.00 0.00 0.00 0.00 44.72 45.39 2kgk s GLY 44 CO 0.21 0.82 1.53 -0.09 0.00 0.00 0.00 173.10 175.57 2kgk h ARG 45 N 0.25 0.57 -0.26 2.90 2.43 -1.91 -2.33 114.38 116.02 2kgk h ARG 45 Ca -0.47 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 58.51 2kgk h ARG 45 Cb 1.24 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 2kgk h ARG 45 CO 0.56 0.71 0.16 0.87 -1.51 0.00 0.00 179.97 180.76 2kgk h LYS 46 N 0.36 0.35 0.40 0.20 1.79 -1.93 -1.83 116.57 115.91 2kgk h LYS 46 Ca 0.09 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 2kgk h LYS 46 Cb 0.47 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.01 2kgk h LYS 46 CO 0.02 0.27 -0.50 -0.97 -1.08 0.00 0.00 179.45 177.19 2kgk h ASN 47 N 0.33 -1.39 -0.85 0.86 -1.24 -1.88 -1.90 115.58 109.52 2kgk h ASN 47 Ca 0.09 0.12 0.19 0.00 0.71 0.00 0.00 56.30 57.42 2kgk h ASN 47 Cb 0.01 0.48 -0.12 0.00 0.73 0.00 0.00 38.32 39.42 2kgk h ASN 47 CO -0.02 -0.63 0.35 0.22 -1.29 0.00 0.00 177.43 176.07 2kgk h TYR 48 N -0.92 0.58 -0.44 0.67 5.03 -1.35 0.77 116.97 121.32 2kgk h TYR 48 Ca -0.04 0.04 0.08 0.00 2.58 0.00 0.00 58.73 61.38 2kgk h TYR 48 Cb 0.83 -0.13 -0.06 0.00 1.55 0.00 0.00 36.73 38.92 2kgk h TYR 48 CO -0.30 -0.01 0.05 0.93 -1.32 0.00 0.00 178.16 177.51 2kgk h GLU 49 N 0.41 0.17 0.07 1.82 5.08 -0.60 0.74 114.58 122.27 2kgk h GLU 49 Ca 0.51 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.85 2kgk h GLU 49 Cb 0.90 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2kgk h GLU 49 CO -0.49 0.11 -0.03 0.00 -1.00 0.00 0.00 179.01 177.60 2kgk h ALA 50 N 1.35 -0.09 -0.92 3.43 0.00 -0.20 -3.00 119.26 119.83 2kgk h ALA 50 Ca 0.22 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 55.14 2kgk h ALA 50 Cb 0.29 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 2kgk h ALA 50 CO -0.31 -0.38 0.59 0.82 0.00 0.00 0.00 179.25 179.97 2kgk h ILE 51 N -0.43 0.73 0.00 0.00 2.04 -0.67 -3.48 117.51 115.70 2kgk h ILE 51 Ca -0.01 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2kgk h ILE 51 Cb 0.37 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2kgk h ILE 51 CO 0.02 0.10 0.00 0.61 0.00 0.00 0.00 178.15 178.88 2kgk n GLY 52 N -1.46 1.11 2.35 5.37 0.00 0.22 -4.67 105.19 108.12 2kgk n GLY 52 Ca 0.20 -0.87 -0.26 0.00 0.00 0.00 0.00 46.02 45.09 2kgk n GLY 52 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kgk n ARG 53 N 0.00 1.86 -1.54 1.61 0.00 -1.26 -4.66 116.66 112.67 2kgk n ARG 53 Ca 0.00 -4.12 -0.30 0.00 -0.00 0.00 0.00 57.85 53.43 2kgk n ARG 53 Cb 0.00 -1.86 0.08 0.00 -0.00 0.00 0.00 32.46 30.68 2kgk n ARG 53 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2kgk s PRO 54 N -2.06 2.38 -0.35 2.89 0.04 -1.26 -5.02 135.00 131.62 2kgk s PRO 54 Ca 0.39 0.78 0.13 0.00 0.04 0.00 0.00 61.00 62.34 2kgk s PRO 54 Cb 0.17 -1.94 0.41 0.00 0.04 0.00 0.00 34.50 33.18 2kgk s PRO 54 CO -0.05 -1.45 1.46 -0.11 0.04 0.00 0.00 177.00 176.89 2kgk n LEU 55 N -3.34 -1.33 -4.74 -3.56 7.94 -1.26 -4.87 117.00 105.84 2kgk n LEU 55 Ca 0.07 -3.28 -0.41 0.00 -1.11 0.00 0.00 56.01 51.28 2kgk n LEU 55 Cb 0.55 0.10 -0.03 0.00 0.53 0.00 0.00 43.42 44.58 2kgk n LEU 55 CO 0.56 1.72 1.06 -2.16 -1.11 0.00 0.00 177.39 177.46 2kgk s PRO 56 N -0.18 4.32 0.00 1.96 0.04 -1.26 -1.95 135.00 137.93 2kgk s PRO 56 Ca 0.14 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.36 2kgk s PRO 56 Cb 0.43 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.81 2kgk s PRO 56 CO -0.11 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 176.98 2kgk n GLY 57 N 2.45 0.85 3.82 0.56 0.00 -1.26 -3.42 105.19 108.19 2kgk n GLY 57 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.01 0.00 -3.71 1.61 0.63 -0.82 -2.35 116.66 110.01 2kgk n ARG 58 Ca 0.00 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.65 2kgk n ARG 58 Cb 0.00 -3.04 -0.12 0.00 0.45 0.00 0.00 32.46 29.75 2kgk n ARG 58 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2kgk s ARG 59 N -0.19 1.72 -0.32 -0.14 1.81 -1.22 -4.99 118.95 115.62 2kgk s ARG 59 Ca 0.00 -2.65 -0.18 0.00 -1.72 0.00 0.00 55.73 51.18 2kgk s ARG 59 Cb 0.00 -2.58 -0.01 0.00 -0.45 0.00 0.00 34.95 31.91 2kgk s ARG 59 CO 0.00 -1.28 0.51 0.54 -0.68 0.00 0.00 175.30 174.39 2kgk s ASN 60 N -0.56 6.35 -0.10 0.23 4.22 -1.26 -1.63 114.94 122.19 2kgk s ASN 60 Ca 0.25 0.15 0.03 0.00 -2.14 0.00 0.00 52.86 51.15 2kgk s ASN 60 Cb -0.07 -2.27 0.01 0.00 1.28 0.00 0.00 41.25 40.19 2kgk s ASN 60 CO -0.13 -0.42 -0.21 -0.63 -2.04 0.00 0.00 177.10 173.67 2kgk s ILE 61 N 2.37 1.85 -0.06 0.54 1.09 0.14 -1.49 121.20 125.64 2kgk s ILE 61 Ca 0.19 -0.89 0.02 0.00 -1.10 0.00 0.00 60.65 58.88 2kgk s ILE 61 Cb -0.15 -1.62 -0.03 0.00 -1.06 0.00 0.00 42.46 39.59 2kgk s ILE 61 CO 0.12 0.51 -0.09 0.27 -0.10 0.00 0.00 174.94 175.65 2kgk s ILE 62 N 0.54 3.53 -0.22 2.92 -4.36 -0.11 -0.07 121.20 123.43 2kgk s ILE 62 Ca -0.15 -0.57 -0.14 0.00 -0.26 0.00 0.00 60.65 59.53 2kgk s ILE 62 Cb -0.17 -2.43 -0.04 0.00 1.25 0.00 0.00 42.46 41.07 2kgk s ILE 62 CO 0.05 0.58 0.32 -0.69 0.24 0.00 0.00 174.94 175.45 2kgk s VAL 63 N -0.80 5.25 -0.20 8.37 1.01 -0.67 -1.04 120.40 132.32 2kgk s VAL 63 Ca 0.12 0.53 -0.18 0.00 0.00 0.00 0.00 61.98 62.46 2kgk s VAL 63 Cb -0.11 -3.65 0.05 0.00 0.00 0.00 0.00 36.38 32.67 2kgk s VAL 63 CO 0.02 0.28 0.52 0.28 0.00 0.00 0.00 175.10 176.19 2kgk s THR 64 N 1.27 -0.00 -0.48 3.92 -1.32 -0.66 -3.34 115.64 115.03 2kgk s THR 64 Ca 0.15 0.01 -0.19 0.00 -1.21 0.00 0.00 61.69 60.45 2kgk s THR 64 Cb -0.14 -0.73 0.05 0.00 -1.51 0.00 0.00 72.50 70.16 2kgk s THR 64 CO 0.07 0.00 0.60 -0.13 -2.21 0.00 0.00 174.62 172.95 2kgk s ARG 65 N 0.40 3.14 -0.30 7.08 1.81 -1.26 -4.42 118.95 125.40 2kgk s ARG 65 Ca -0.01 -0.80 -0.18 0.00 -1.72 0.00 0.00 55.73 53.02 2kgk s ARG 65 Cb -0.04 -4.06 0.19 0.00 -0.45 0.00 0.00 34.95 30.59 2kgk s ARG 65 CO -0.01 -1.14 1.23 -0.80 -0.68 0.00 0.00 175.30 173.91 2kgk s ASN 66 N 2.46 -0.16 -0.41 0.23 0.01 -1.26 -5.08 114.94 110.73 2kgk s ASN 66 Ca 0.16 0.20 -0.29 0.00 -0.71 0.00 0.00 52.86 52.22 2kgk s ASN 66 Cb -0.18 1.18 0.01 0.00 0.41 0.00 0.00 41.25 42.66 2kgk s ASN 66 CO 0.13 -0.03 1.39 -1.61 -1.51 0.00 0.00 177.10 175.47 2kgk s GLU 67 N 2.22 3.60 0.00 -0.60 2.02 -1.26 -2.43 118.70 122.26 2kgk s GLU 67 Ca -0.01 0.93 0.00 0.00 0.02 0.00 0.00 54.97 55.92 2kgk s GLU 67 Cb -0.02 -4.01 0.00 0.00 0.10 0.00 0.00 34.13 30.19 2kgk s GLU 67 CO -0.15 -1.53 0.00 0.41 0.02 0.00 0.00 175.26 174.00 2kgk n GLY 68 N 5.02 0.86 3.77 -1.39 0.00 -1.26 -5.08 105.19 107.10 2kgk n GLY 68 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 3.14 -0.16 1.61 5.04 -1.02 -5.03 117.35 118.92 2kgk s TYR 69 Ca 0.00 1.51 -0.14 0.00 -2.44 0.00 0.00 57.07 56.00 2kgk s TYR 69 Cb 0.00 -3.53 0.05 0.00 0.35 0.00 0.00 41.96 38.82 2kgk s TYR 69 CO 0.00 -1.48 0.43 -3.38 -1.34 0.00 0.00 175.55 169.77 2kgk s HIS 70 N -1.22 -0.50 -0.18 4.97 -3.43 -1.26 -4.93 115.29 108.74 2kgk s HIS 70 Ca 0.51 1.18 -0.02 0.00 -0.80 0.00 0.00 55.06 55.93 2kgk s HIS 70 Cb -0.36 0.18 0.05 0.00 -1.43 0.00 0.00 32.58 31.03 2kgk s HIS 70 CO 0.47 -0.25 0.00 0.08 -2.00 0.00 0.00 174.74 173.04 2kgk s VAL 71 N 0.45 0.75 -0.33 -5.38 1.01 -1.26 -5.09 120.40 110.55 2kgk s VAL 71 Ca -0.02 -0.56 -0.28 0.00 0.00 0.00 0.00 61.98 61.12 2kgk s VAL 71 Cb -0.04 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 2kgk s VAL 71 CO -0.02 -0.05 1.81 -1.83 0.00 0.00 0.00 175.10 175.01 2kgk s GLU 72 N 1.77 3.32 0.00 2.72 -1.05 -1.26 -2.15 118.70 122.05 2kgk s GLU 72 Ca -0.00 1.43 0.00 0.00 -0.15 0.00 0.00 54.97 56.25 2kgk s GLU 72 Cb -0.16 -4.21 0.00 0.00 -0.44 0.00 0.00 34.13 29.32 2kgk s GLU 72 CO -0.07 -1.88 0.00 0.41 0.95 0.00 0.00 175.26 174.67 2kgk n GLY 73 N 5.43 0.79 3.34 -3.83 0.00 -1.26 -5.08 105.19 104.59 2kgk n GLY 73 Ca 0.23 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.58 3.97 0.06 0.00 0.41 -0.56 -4.40 118.70 114.60 2kgk s GLU 75 Ca 0.22 0.47 -0.19 0.00 -0.41 0.00 0.00 54.97 55.06 2kgk s GLU 75 Cb -0.01 -3.22 -0.06 0.00 -1.78 0.00 0.00 34.13 29.05 2kgk s GLU 75 CO 0.07 0.68 0.55 0.08 -0.49 0.00 0.00 175.26 176.15 2kgk s VAL 76 N -1.09 4.79 0.13 2.63 1.01 -1.26 -0.93 120.40 125.68 2kgk s VAL 76 Ca 0.25 1.16 0.03 0.00 0.00 0.00 0.00 61.98 63.42 2kgk s VAL 76 Cb -0.17 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 2kgk s VAL 76 CO 0.14 0.55 -0.07 0.00 0.00 0.00 0.00 175.10 175.73 2kgk s ALA 77 N -1.04 1.22 0.76 5.51 0.00 -0.21 -4.90 121.76 123.10 2kgk s ALA 77 Ca 0.28 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.80 2kgk s ALA 77 Cb -0.19 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.12 2kgk s ALA 77 CO 0.18 -0.20 0.00 0.72 0.00 0.00 0.00 175.76 176.46 2kgk n HIS 78 N -0.14 -3.43 -0.47 0.00 8.25 -1.26 -1.65 115.22 116.53 2kgk n HIS 78 Ca -0.10 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.24 2kgk n HIS 78 Cb 0.61 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.83 2kgk n HIS 78 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kgk n SER 79 N -2.74 -2.00 -0.01 0.41 2.88 -1.26 -4.19 113.62 106.71 2kgk n SER 79 Ca 0.00 -0.60 -0.10 0.00 -1.33 0.00 0.00 58.87 56.85 2kgk n SER 79 Cb 0.00 -0.40 -0.03 0.00 -0.75 0.00 0.00 64.21 63.03 2kgk n SER 79 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2kgk h VAL 80 N -2.25 0.36 -1.55 2.46 2.07 -1.99 -0.46 116.25 114.89 2kgk h VAL 80 Ca -0.16 0.00 0.49 0.00 0.82 0.00 0.00 66.70 67.85 2kgk h VAL 80 Cb 0.51 0.36 -0.11 0.00 -1.52 0.00 0.00 31.29 30.53 2kgk h VAL 80 CO 0.10 0.00 1.06 -0.62 0.02 0.00 0.00 177.57 178.13 2kgk n GLU 81 N -5.39 -0.02 -0.01 1.57 1.02 -1.26 0.17 120.64 116.73 2kgk n GLU 81 Ca -0.03 1.10 -0.17 0.00 -0.02 0.00 0.00 57.16 58.05 2kgk n GLU 81 Cb 0.30 -2.33 -0.14 0.00 -0.02 0.00 0.00 31.44 29.25 2kgk n GLU 81 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2kgk h GLU 82 N 0.00 0.17 -0.68 3.49 4.57 -1.39 -3.29 114.58 117.46 2kgk h GLU 82 Ca 0.85 -0.28 0.13 0.00 -1.18 0.00 0.00 59.36 58.89 2kgk h GLU 82 Cb 3.06 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 31.71 2kgk h GLU 82 CO -0.25 1.12 0.46 0.28 -1.18 0.00 0.00 179.01 179.44 2kgk h VAL 83 N -0.63 0.83 -0.09 0.32 2.07 0.21 -0.89 116.25 118.06 2kgk h VAL 83 Ca -0.07 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.36 2kgk h VAL 83 Cb 1.32 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 2kgk h VAL 83 CO 0.08 0.07 -0.29 0.15 0.02 0.00 0.00 177.57 177.60 2kgk h PHE 84 N 0.38 -0.78 -0.13 1.57 3.57 -0.91 -1.69 116.94 118.94 2kgk h PHE 84 Ca 0.32 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.72 2kgk h PHE 84 Cb 0.75 0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.85 2kgk h PHE 84 CO -0.00 -0.37 -0.44 1.05 -2.23 0.00 0.00 178.31 176.32 2kgk h GLU 85 N -0.38 0.52 -0.63 1.11 4.11 -1.51 -3.08 114.58 114.72 2kgk h GLU 85 Ca 0.09 -0.39 0.18 0.00 0.07 0.00 0.00 59.36 59.31 2kgk h GLU 85 Cb 0.51 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 2kgk h GLU 85 CO -0.31 1.01 0.67 1.25 0.07 0.00 0.00 179.01 181.71 2kgk h LEU 86 N 0.14 0.00 -0.98 3.06 5.85 -0.94 0.48 115.31 122.92 2kgk h LEU 86 Ca -0.02 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 2kgk h LEU 86 Cb 1.07 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 2kgk h LEU 86 CO 0.09 0.00 0.04 0.00 -0.34 0.00 0.00 178.44 178.23 2kgk n LYS 88 N -4.24 0.21 0.19 0.00 2.85 0.17 -2.19 118.16 115.14 2kgk n LYS 88 Ca 0.03 0.15 0.06 0.00 -1.05 0.00 0.00 58.31 57.49 2kgk n LYS 88 Cb 0.27 -1.50 0.33 0.00 -0.65 0.00 0.00 35.03 33.49 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 -4.88 -5.58 -0.00 -1.31 -3.44 115.58 100.37 2kgk h ASN 89 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 56.30 56.13 2kgk h ASN 89 Cb 0.13 0.00 -0.22 0.00 -0.00 0.00 0.00 38.32 38.23 2kgk h ASN 89 CO 0.00 0.37 -0.70 -1.61 -0.00 0.00 0.00 177.43 175.49 2kgk s GLU 90 N -3.61 0.29 0.51 6.67 0.41 -0.93 -5.02 118.70 117.01 2kgk s GLU 90 Ca 0.00 -0.56 0.29 0.00 -0.41 0.00 0.00 54.97 54.29 2kgk s GLU 90 Cb 0.11 0.10 1.29 0.00 -1.78 0.00 0.00 34.13 33.85 2kgk s GLU 90 CO 0.69 -0.05 1.97 1.05 -0.49 0.00 0.00 175.26 178.43 2kgk h GLU 91 N 4.77 0.00 -3.04 1.61 4.11 -1.87 -3.42 114.58 116.74 2kgk h GLU 91 Ca -0.31 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 58.85 2kgk h GLU 91 Cb 1.21 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.12 2kgk h GLU 91 CO 0.42 0.12 -0.60 -1.83 0.07 0.00 0.00 179.01 177.19 2kgk s GLU 92 N -3.82 0.07 0.08 1.06 -1.05 -1.26 -0.18 118.70 113.59 2kgk s GLU 92 Ca -0.00 0.59 0.06 0.00 -0.15 0.00 0.00 54.97 55.47 2kgk s GLU 92 Cb 0.11 -0.20 -0.03 0.00 -0.44 0.00 0.00 34.13 33.57 2kgk s GLU 92 CO 0.58 -0.28 -0.16 0.96 0.95 0.00 0.00 175.26 177.31 2kgk s ILE 93 N 2.19 1.24 -0.04 1.83 -0.00 -0.82 -4.71 121.20 120.88 2kgk s ILE 93 Ca 0.01 -1.34 -0.01 0.00 -0.00 0.00 0.00 60.65 59.32 2kgk s ILE 93 Cb -0.12 -1.17 -0.03 0.00 -0.00 0.00 0.00 42.46 41.14 2kgk s ILE 93 CO -0.07 -0.18 0.01 -0.36 -0.00 0.00 0.00 174.94 174.35 2kgk s PHE 94 N -1.23 3.15 -0.06 1.37 0.40 -0.67 -2.22 117.98 118.72 2kgk s PHE 94 Ca -0.00 0.16 0.04 0.00 -0.60 0.00 0.00 56.93 56.53 2kgk s PHE 94 Cb -0.10 -1.74 0.00 0.00 0.51 0.00 0.00 43.02 41.69 2kgk s PHE 94 CO 0.03 0.48 -0.18 0.42 0.70 0.00 0.00 175.22 176.66 2kgk s ILE 95 N -1.00 1.57 -0.01 0.64 -1.09 -0.18 -2.34 121.20 118.79 2kgk s ILE 95 Ca 0.17 -0.77 0.02 0.00 -2.23 0.00 0.00 60.65 57.84 2kgk s ILE 95 Cb -0.11 -1.36 -0.03 0.00 -1.58 0.00 0.00 42.46 39.37 2kgk s ILE 95 CO 0.07 0.45 0.05 0.33 -1.23 0.00 0.00 174.94 174.60 2kgk n PHE 96 N 3.35 0.00 0.00 3.97 7.35 0.83 -0.97 117.46 131.99 2kgk n PHE 96 Ca -0.19 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.50 2kgk n PHE 96 Cb 0.53 -0.04 0.00 0.00 0.35 0.00 0.00 39.48 40.31 2kgk n PHE 96 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2kgk n GLY 97 N 2.26 0.00 0.00 7.13 0.00 0.17 -4.67 105.19 110.08 2kgk n GLY 97 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.69 0.21 -0.02 0.00 -1.26 -2.37 105.19 101.07 2kgk n GLY 98 Ca 0.00 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 -0.46 -0.42 4.61 0.00 -1.96 0.17 119.26 121.20 2kgk h ALA 99 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2kgk h ALA 99 Cb 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2kgk h ALA 99 CO 0.00 -0.66 0.20 -0.56 0.00 0.00 0.00 179.25 178.23 2kgk h GLN 100 N -0.68 0.61 -0.35 0.00 3.07 -2.00 -2.39 115.11 113.37 2kgk h GLN 100 Ca -0.05 -0.09 0.03 0.00 0.09 0.00 0.00 58.65 58.63 2kgk h GLN 100 Cb 0.48 -0.11 -0.03 0.00 0.08 0.00 0.00 27.48 27.90 2kgk h GLN 100 CO 0.08 0.53 0.17 0.82 0.09 0.00 0.00 178.83 180.52 2kgk h ILE 101 N 0.54 0.98 -0.88 1.86 1.08 -1.91 -1.17 117.51 118.00 2kgk h ILE 101 Ca 0.14 -0.12 0.13 0.00 -0.39 0.00 0.00 64.86 64.62 2kgk h ILE 101 Cb 0.13 0.59 -0.07 0.00 -3.07 0.00 0.00 36.82 34.40 2kgk h ILE 101 CO -0.02 0.07 0.57 0.22 -0.69 0.00 0.00 178.15 178.30 2kgk h TYR 102 N 0.36 0.83 0.26 1.37 3.20 -0.74 0.22 116.97 122.48 2kgk h TYR 102 Ca 0.15 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 2kgk h TYR 102 Cb 0.06 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.07 2kgk h TYR 102 CO -0.10 0.33 -0.13 0.22 -1.64 0.00 0.00 178.16 176.84 2kgk h ASP 103 N 0.72 -0.30 0.59 -2.11 1.82 -0.75 -3.01 116.42 113.38 2kgk h ASP 103 Ca 0.43 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.86 2kgk h ASP 103 Cb 0.65 0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.73 2kgk h ASP 103 CO -0.20 0.09 0.00 -0.07 -1.61 0.00 0.00 179.24 177.46 2kgk h LEU 104 N -0.74 0.00 -3.27 2.28 4.07 -0.74 -2.11 115.31 114.80 2kgk h LEU 104 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.92 2kgk h LEU 104 Cb 0.50 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.24 2kgk h LEU 104 CO 0.06 0.00 0.00 0.49 -1.08 0.00 0.00 178.44 177.91 2kgk n PHE 105 N -2.92 1.83 0.06 1.13 3.01 0.71 -4.48 117.46 116.81 2kgk n PHE 105 Ca -0.00 -0.64 -0.13 0.00 1.01 0.00 0.00 57.45 57.68 2kgk n PHE 105 Cb 0.20 -0.44 -0.08 0.00 -0.01 0.00 0.00 39.48 39.15 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 3.67 -0.08 -1.11 4.37 5.85 -1.25 0.53 115.31 127.30 2kgk h LEU 106 Ca 0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2kgk h LEU 106 Cb 1.78 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.83 2kgk h LEU 106 CO 0.42 0.04 0.00 -0.81 -0.34 0.00 0.00 178.44 177.75 2kgk n PRO 107 N -5.08 1.21 0.00 5.25 -0.04 -1.26 -3.64 135.00 131.43 2kgk n PRO 107 Ca -0.08 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.21 2kgk n PRO 107 Cb 0.11 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 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 0.02 0.00 -2.47 0.54 4.01 -0.93 -5.07 117.16 113.25 2kgk n TYR 108 Ca 0.01 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.40 2kgk n TYR 108 Cb 0.29 0.03 -0.03 0.00 -0.31 0.00 0.00 39.34 39.33 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 -1.66 3.60 -0.07 -0.72 0.11 0.13 -4.88 120.40 116.91 2kgk s VAL 109 Ca 0.00 1.08 0.07 0.00 -2.93 0.00 0.00 61.98 60.20 2kgk s VAL 109 Cb 0.00 -3.48 -0.09 0.00 -1.53 0.00 0.00 36.38 31.27 2kgk s VAL 109 CO 0.00 -0.14 0.03 -0.67 -3.33 0.00 0.00 175.10 170.99 2kgk n ASP 110 N -0.73 3.11 -4.22 3.54 2.03 -0.72 -4.86 116.55 114.70 2kgk n ASP 110 Ca 0.08 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.07 2kgk n ASP 110 Cb 0.51 0.69 -0.17 0.00 -0.72 0.00 0.00 41.12 41.44 2kgk n ASP 110 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2kgk s LYS 111 N -2.19 3.06 -0.21 -0.67 3.01 -0.16 -1.63 119.74 120.95 2kgk s LYS 111 Ca -0.04 -0.87 0.00 0.00 -1.01 0.00 0.00 55.97 54.06 2kgk s LYS 111 Cb 0.02 -2.33 0.03 0.00 -1.01 0.00 0.00 37.83 34.54 2kgk s LYS 111 CO 0.31 0.16 -0.14 -1.17 0.51 0.00 0.00 175.35 175.02 2kgk s LEU 112 N 0.40 2.64 -0.18 3.17 1.98 0.22 -0.33 118.68 126.58 2kgk s LEU 112 Ca -0.17 -0.80 0.01 0.00 -2.89 0.00 0.00 54.13 50.28 2kgk s LEU 112 Cb -0.18 -1.55 0.02 0.00 0.66 0.00 0.00 46.19 45.14 2kgk s LEU 112 CO 0.08 -0.06 -0.20 -0.31 -1.89 0.00 0.00 176.35 173.97 2kgk s TYR 113 N 1.28 2.73 -0.06 5.38 2.02 0.53 -0.37 117.35 128.87 2kgk s TYR 113 Ca 0.02 -1.61 0.02 0.00 -0.37 0.00 0.00 57.07 55.12 2kgk s TYR 113 Cb -0.15 -1.89 0.02 0.00 -0.40 0.00 0.00 41.96 39.53 2kgk s TYR 113 CO -0.09 -0.80 -0.09 0.42 -1.57 0.00 0.00 175.55 173.42 2kgk s ILE 114 N 1.30 0.89 -0.22 2.71 1.09 -1.19 -2.33 121.20 123.45 2kgk s ILE 114 Ca 0.05 -0.34 -0.04 0.00 -1.10 0.00 0.00 60.65 59.22 2kgk s ILE 114 Cb -0.13 -0.84 -0.00 0.00 -1.06 0.00 0.00 42.46 40.42 2kgk s ILE 114 CO -0.13 0.30 -0.04 0.28 -0.10 0.00 0.00 174.94 175.25 2kgk s THR 115 N 0.73 3.31 -0.08 2.92 -1.32 -1.09 -1.94 115.64 118.17 2kgk s THR 115 Ca -0.13 -0.56 -0.19 0.00 -1.21 0.00 0.00 61.69 59.60 2kgk s THR 115 Cb -0.15 -2.52 -0.04 0.00 -1.51 0.00 0.00 72.50 68.27 2kgk s THR 115 CO 0.02 0.40 0.54 -0.75 -2.21 0.00 0.00 174.62 172.62 2kgk s LYS 116 N 1.46 4.33 -0.14 7.08 2.20 0.16 -0.47 119.74 134.36 2kgk s LYS 116 Ca 0.05 0.59 0.02 0.00 -0.36 0.00 0.00 55.97 56.27 2kgk s LYS 116 Cb -0.14 -3.41 0.01 0.00 -1.51 0.00 0.00 37.83 32.77 2kgk s LYS 116 CO -0.04 0.21 -0.21 0.42 -0.36 0.00 0.00 175.35 175.38 2kgk s ILE 117 N 0.41 2.20 -1.23 5.43 1.01 -0.99 0.10 121.20 128.12 2kgk s ILE 117 Ca 0.29 -0.94 -0.14 0.00 0.00 0.00 0.00 60.65 59.87 2kgk s ILE 117 Cb -0.16 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 2kgk s ILE 117 CO 0.13 0.54 2.30 1.57 0.00 0.00 0.00 174.94 179.49 2kgk n HIS 118 N 4.01 2.47 -3.18 3.97 -0.00 -1.02 -3.49 115.22 117.99 2kgk n HIS 118 Ca -0.20 -2.53 0.05 0.00 -0.00 0.00 0.00 57.72 55.04 2kgk n HIS 118 Cb 0.52 -2.17 -0.02 0.00 -0.00 0.00 0.00 29.99 28.31 2kgk n HIS 118 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kgk s HIS 119 N 3.44 -0.30 -0.26 1.57 5.04 -1.26 -4.84 115.29 118.68 2kgk s HIS 119 Ca 0.53 0.37 -0.26 0.00 -1.54 0.00 0.00 55.06 54.16 2kgk s HIS 119 Cb 0.14 0.12 0.13 0.00 0.04 0.00 0.00 32.58 33.02 2kgk s HIS 119 CO -0.02 -0.16 1.07 0.00 -2.34 0.00 0.00 174.74 173.29 2kgk s ALA 120 N 2.74 -1.99 -0.27 1.58 0.00 -1.26 -4.74 121.76 117.82 2kgk s ALA 120 Ca -0.04 1.80 -0.11 0.00 0.00 0.00 0.00 51.96 53.61 2kgk s ALA 120 Cb -0.07 -1.33 0.11 0.00 0.00 0.00 0.00 23.12 21.82 2kgk s ALA 120 CO -0.11 -0.24 0.61 -0.06 0.00 0.00 0.00 175.76 175.96 2kgk s PHE 121 N -0.08 -1.16 -0.00 0.00 0.08 -1.26 -4.77 117.98 110.79 2kgk s PHE 121 Ca 0.03 2.10 -0.00 0.00 0.12 0.00 0.00 56.93 59.18 2kgk s PHE 121 Cb -0.04 0.66 0.00 0.00 -0.57 0.00 0.00 43.02 43.07 2kgk s PHE 121 CO -0.06 -0.59 0.00 0.39 -0.10 0.00 0.00 175.22 174.86 2kgk n GLU 122 N 5.16 -0.25 0.00 0.44 1.02 -1.26 -4.69 120.64 121.05 2kgk n GLU 122 Ca -0.14 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2kgk n GLU 122 Cb 0.51 -0.62 0.00 0.00 -0.02 0.00 0.00 31.44 31.31 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 2.06 5.96 0.00 0.62 0.00 -1.03 -4.21 105.19 108.59 2kgk n GLY 123 Ca -0.00 -1.59 0.05 0.00 0.00 0.00 0.00 46.02 44.47 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 1.79 -3.66 1.61 2.03 0.28 -4.90 116.55 113.70 2kgk n ASP 124 Ca 0.00 -0.31 -0.23 0.00 0.52 0.00 0.00 54.79 54.77 2kgk n ASP 124 Cb 0.00 1.25 -0.18 0.00 -0.72 0.00 0.00 41.12 41.48 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 -2.33 -0.02 0.10 5.18 2.01 -1.07 -4.97 115.64 114.55 2kgk s THR 125 Ca -0.00 0.13 0.09 0.00 0.31 0.00 0.00 61.69 62.22 2kgk s THR 125 Cb 0.07 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 72.15 2kgk s THR 125 CO 0.39 -0.00 -0.23 0.72 -0.69 0.00 0.00 174.62 174.81 2kgk s PHE 126 N 2.12 1.94 -0.06 4.92 -0.71 -1.26 -1.43 117.98 123.50 2kgk s PHE 126 Ca 0.04 -0.40 -0.12 0.00 -1.04 0.00 0.00 56.93 55.40 2kgk s PHE 126 Cb -0.14 -1.07 -0.05 0.00 -1.21 0.00 0.00 43.02 40.55 2kgk s PHE 126 CO -0.06 0.22 0.30 0.12 -1.34 0.00 0.00 175.22 174.47 2kgk s PHE 127 N -1.08 3.65 0.00 3.49 5.36 -1.04 -4.56 117.98 123.79 2kgk s PHE 127 Ca 0.09 0.78 0.00 0.00 -0.96 0.00 0.00 56.93 56.84 2kgk s PHE 127 Cb -0.10 -2.17 0.00 0.00 -0.34 0.00 0.00 43.02 40.41 2kgk s PHE 127 CO 0.04 0.63 0.00 -0.35 -1.46 0.00 0.00 175.22 174.08 2kgk n PRO 128 N 2.09 -0.15 -0.10 10.12 -0.04 -1.26 -4.80 135.00 140.87 2kgk n PRO 128 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2kgk n PRO 128 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 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 -0.88 3.22 -3.43 0.54 0.28 -1.26 -4.65 120.64 114.46 2kgk n GLU 129 Ca 0.00 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 56.74 2kgk n GLU 129 Cb 0.00 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 32.82 2kgk n GLU 129 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kgk n MET 130 N -0.05 -1.08 -1.58 3.44 0.00 -1.26 -4.78 117.12 111.81 2kgk n MET 130 Ca 0.00 0.08 -0.37 0.00 0.00 0.00 0.00 57.70 57.42 2kgk n MET 130 Cb 0.00 -3.42 0.07 0.00 0.00 0.00 0.00 33.22 29.87 2kgk n MET 130 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2kgk n ASP 131 N -1.50 1.24 -3.13 3.17 5.68 -1.26 -4.97 116.55 115.78 2kgk n ASP 131 Ca 0.07 0.77 -0.23 0.00 -0.50 0.00 0.00 54.79 54.90 2kgk n ASP 131 Cb 0.34 -1.47 -0.05 0.00 -1.14 0.00 0.00 41.12 38.80 2kgk n ASP 131 CO 0.00 0.00 0.00 1.15 -1.33 0.00 0.00 177.20 177.02 2kgk n MET 132 N -1.70 1.97 0.10 0.11 0.00 -1.26 -4.92 117.12 111.42 2kgk n MET 132 Ca 0.15 -4.07 -0.13 0.00 0.00 0.00 0.00 57.70 53.64 2kgk n MET 132 Cb 0.48 -1.91 -0.08 0.00 0.00 0.00 0.00 33.22 31.72 2kgk n MET 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kgk h THR 133 N 2.15 0.90 -0.59 3.17 1.03 -2.01 -3.45 112.91 114.11 2kgk h THR 133 Ca 0.12 -0.21 -0.20 0.00 -0.01 0.00 0.00 66.41 66.11 2kgk h THR 133 Cb 0.75 1.03 -0.08 0.00 -1.07 0.00 0.00 68.15 68.78 2kgk h THR 133 CO 0.66 0.05 -0.18 -3.20 -0.01 0.00 0.00 175.52 172.83 2kgk n ASN 134 N -5.13 -5.12 -4.81 0.00 5.15 -1.26 -4.93 115.26 99.16 2kgk n ASN 134 Ca -0.09 0.24 -0.33 0.00 -0.60 0.00 0.00 54.58 53.81 2kgk n ASN 134 Cb 0.14 -3.82 -0.03 0.00 -0.53 0.00 0.00 39.78 35.54 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 -1.78 3.15 -0.15 1.20 0.52 -1.26 -5.03 118.94 115.59 2kgk s TRP 135 Ca 0.00 1.55 -0.17 0.00 0.02 0.00 0.00 56.10 57.50 2kgk s TRP 135 Cb 0.00 -2.95 -0.04 0.00 -1.15 0.00 0.00 33.47 29.32 2kgk s TRP 135 CO 0.00 -0.64 0.42 0.21 0.02 0.00 0.00 176.95 176.96 2kgk s LYS 136 N -3.55 4.28 0.12 4.98 2.36 -1.25 -4.99 119.74 121.69 2kgk s LYS 136 Ca 0.64 0.31 -0.03 0.00 -2.55 0.00 0.00 55.97 54.34 2kgk s LYS 136 Cb -0.13 -3.46 -0.05 0.00 -1.05 0.00 0.00 37.83 33.13 2kgk s LYS 136 CO 0.24 0.11 0.32 -2.00 1.55 0.00 0.00 175.35 175.57 2kgk s GLU 137 N 0.81 3.56 0.00 4.03 2.12 -1.26 -1.74 118.70 126.22 2kgk s GLU 137 Ca 0.22 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.34 2kgk s GLU 137 Cb -0.15 -2.91 0.00 0.00 0.26 0.00 0.00 34.13 31.33 2kgk s GLU 137 CO 0.08 0.51 0.00 1.33 -0.54 0.00 0.00 175.26 176.64 2kgk n VAL 138 N 0.13 0.00 -3.50 3.70 0.24 -1.02 -4.97 118.33 112.91 2kgk n VAL 138 Ca -0.03 -0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.14 2kgk n VAL 138 Cb 0.51 0.28 -0.04 0.00 -1.47 0.00 0.00 33.84 33.13 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 -1.08 -0.50 -0.21 6.34 5.36 -1.25 -5.06 117.98 121.59 2kgk s PHE 139 Ca 0.00 0.62 -0.04 0.00 -0.96 0.00 0.00 56.93 56.55 2kgk s PHE 139 Cb 0.00 0.48 0.10 0.00 -0.34 0.00 0.00 43.02 43.27 2kgk s PHE 139 CO 0.00 -0.60 0.32 0.54 -1.46 0.00 0.00 175.22 174.03 2kgk s VAL 140 N -2.25 -0.51 0.21 3.12 0.11 -1.26 -0.99 120.40 118.84 2kgk s VAL 140 Ca -0.02 0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.09 2kgk s VAL 140 Cb -0.01 -0.69 -0.03 0.00 -1.53 0.00 0.00 36.38 34.12 2kgk s VAL 140 CO -0.02 -0.07 0.32 -0.70 -3.33 0.00 0.00 175.10 171.30 2kgk s GLU 141 N 2.48 3.40 0.46 1.54 2.56 -0.49 -4.98 118.70 123.66 2kgk s GLU 141 Ca 0.07 -0.73 0.05 0.00 0.00 0.00 0.00 54.97 54.36 2kgk s GLU 141 Cb -0.14 -2.89 -0.03 0.00 2.00 0.00 0.00 34.13 33.07 2kgk s GLU 141 CO -0.13 0.46 0.15 -1.59 -0.56 0.00 0.00 175.26 173.58 2kgk s LYS 142 N -3.73 2.18 0.38 4.30 0.00 -1.26 -0.22 119.74 121.40 2kgk s LYS 142 Ca 0.34 -2.07 0.04 0.00 0.00 0.00 0.00 55.97 54.28 2kgk s LYS 142 Cb -0.10 -1.83 -0.05 0.00 0.00 0.00 0.00 37.83 35.86 2kgk s LYS 142 CO 0.28 -0.26 0.07 0.20 0.00 0.00 0.00 175.35 175.64 2kgk s GLY 143 N -3.94 2.41 0.00 0.59 0.00 0.17 -4.73 107.32 101.82 2kgk s GLY 143 Ca 0.29 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.40 2kgk s GLY 143 CO 0.16 -1.90 0.00 -0.10 0.00 0.00 0.00 173.10 171.26 2kgk n LEU 144 N -0.86 0.00 -4.93 0.66 7.94 -1.26 -4.49 117.00 114.06 2kgk n LEU 144 Ca -0.06 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.56 2kgk n LEU 144 Cb 0.66 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.58 2kgk n LEU 144 CO 0.40 0.00 -0.02 0.28 -1.11 0.00 0.00 177.39 176.95 2kgk s THR 145 N -1.37 5.25 0.40 1.96 -1.32 -1.01 -3.85 115.64 115.70 2kgk s THR 145 Ca 0.00 -0.41 0.01 0.00 -1.21 0.00 0.00 61.69 60.08 2kgk s THR 145 Cb 0.00 -3.72 0.01 0.00 -1.51 0.00 0.00 72.50 67.28 2kgk s THR 145 CO 0.00 -0.11 0.09 -0.67 -2.21 0.00 0.00 174.62 171.72 2kgk n ASP 146 N -0.50 2.87 0.09 8.08 2.03 -0.74 -4.88 116.55 123.51 2kgk n ASP 146 Ca -0.05 -2.64 -0.23 0.00 0.52 0.00 0.00 54.79 52.38 2kgk n ASP 146 Cb 0.53 0.18 -0.15 0.00 -0.72 0.00 0.00 41.12 40.97 2kgk n ASP 146 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2kgk h GLU 147 N 0.00 0.44 -0.04 -0.67 5.08 -2.01 -3.33 114.58 114.04 2kgk h GLU 147 Ca -0.31 -0.75 0.00 0.00 -1.00 0.00 0.00 59.36 57.30 2kgk h GLU 147 Cb 0.99 0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2kgk h GLU 147 CO 0.51 1.36 0.00 0.36 -1.00 0.00 0.00 179.01 180.23 2kgk n LYS 148 N -3.63 0.99 -3.20 2.33 0.00 -1.26 -4.74 118.16 108.66 2kgk n LYS 148 Ca -0.23 -1.36 -0.21 0.00 -0.00 0.00 0.00 58.31 56.52 2kgk n LYS 148 Cb 1.09 -1.26 -0.06 0.00 -0.00 0.00 0.00 35.03 34.79 2kgk n LYS 148 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2kgk n ASN 149 N 0.76 -1.03 -4.57 -5.58 3.02 -1.26 -5.01 115.26 101.58 2kgk n ASN 149 Ca 0.08 -2.59 -0.30 0.00 -0.03 0.00 0.00 54.58 51.74 2kgk n ASN 149 Cb 0.34 -0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.45 2kgk n ASN 149 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2kgk s PRO 150 N -0.02 2.74 0.34 3.52 0.04 -1.25 -1.79 135.00 138.58 2kgk s PRO 150 Ca 0.33 -1.08 0.04 0.00 0.04 0.00 0.00 61.00 60.33 2kgk s PRO 150 Cb 0.07 -5.25 -0.03 0.00 0.04 0.00 0.00 34.50 29.33 2kgk s PRO 150 CO -0.16 -3.57 0.18 0.71 0.04 0.00 0.00 177.00 174.20 2kgk s TYR 151 N 9.74 1.70 -0.20 0.56 1.51 -1.26 -4.87 117.35 124.53 2kgk s TYR 151 Ca 0.66 -1.42 -0.05 0.00 -1.01 0.00 0.00 57.07 55.24 2kgk s TYR 151 Cb -0.01 -0.92 0.10 0.00 -0.11 0.00 0.00 41.96 41.02 2kgk s TYR 151 CO 0.09 -0.54 0.38 0.99 -1.11 0.00 0.00 175.55 175.35 2kgk s THR 152 N -3.44 -0.59 0.24 -0.71 2.01 -1.25 -2.41 115.64 109.50 2kgk s THR 152 Ca 0.33 0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.49 2kgk s THR 152 Cb 0.03 -0.66 -0.01 0.00 0.01 0.00 0.00 72.50 71.88 2kgk s THR 152 CO 0.19 0.03 0.10 0.00 -0.69 0.00 0.00 174.62 174.25 2kgk n TYR 153 N 5.38 0.03 -3.75 4.92 0.18 -1.26 -2.43 117.16 120.22 2kgk n TYR 153 Ca -0.07 -1.59 -0.13 0.00 1.88 0.00 0.00 57.90 57.99 2kgk n TYR 153 Cb 0.50 0.01 -0.14 0.00 -0.38 0.00 0.00 39.34 39.33 2kgk n TYR 153 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 2kgk s TYR 154 N -2.50 -0.21 -0.08 -3.48 1.51 0.11 -0.65 117.35 112.04 2kgk s TYR 154 Ca 0.14 0.57 -0.13 0.00 -1.01 0.00 0.00 57.07 56.64 2kgk s TYR 154 Cb 0.01 -0.03 -0.05 0.00 -0.11 0.00 0.00 41.96 41.78 2kgk s TYR 154 CO 0.10 -0.18 0.31 -0.47 -1.11 0.00 0.00 175.55 174.20 2kgk s TYR 155 N 1.07 3.61 -0.07 2.71 5.04 0.70 -0.67 117.35 129.74 2kgk s TYR 155 Ca -0.08 0.75 0.04 0.00 -2.44 0.00 0.00 57.07 55.34 2kgk s TYR 155 Cb -0.10 -2.22 0.00 0.00 0.35 0.00 0.00 41.96 39.99 2kgk s TYR 155 CO -0.06 0.53 -0.19 -1.01 -1.34 0.00 0.00 175.55 173.48 2kgk s HIS 156 N -0.56 2.06 -0.36 4.97 3.76 -0.82 -1.40 115.29 122.95 2kgk s HIS 156 Ca 0.19 -0.74 -0.11 0.00 -0.15 0.00 0.00 55.06 54.26 2kgk s HIS 156 Cb -0.14 -1.40 0.02 0.00 1.11 0.00 0.00 32.58 32.16 2kgk s HIS 156 CO 0.08 -0.30 0.20 0.08 -0.85 0.00 0.00 174.74 173.95 2kgk s VAL 157 N 0.28 4.62 0.03 -0.90 1.01 -0.16 -3.13 120.40 122.15 2kgk s VAL 157 Ca -0.12 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.22 2kgk s VAL 157 Cb -0.15 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 2kgk s VAL 157 CO 0.05 -0.15 -0.22 -0.31 0.00 0.00 0.00 175.10 174.47 2kgk s TYR 158 N 1.58 1.97 0.08 5.22 2.02 0.50 -2.43 117.35 126.28 2kgk s TYR 158 Ca 0.03 -0.38 -0.19 0.00 -0.37 0.00 0.00 57.07 56.16 2kgk s TYR 158 Cb -0.18 -1.20 0.04 0.00 -0.40 0.00 0.00 41.96 40.22 2kgk s TYR 158 CO 0.07 0.07 0.45 -1.83 -1.57 0.00 0.00 175.55 172.74 2kgk s GLU 159 N -1.03 1.03 0.62 -0.62 4.04 -0.71 0.72 118.70 122.75 2kgk s GLU 159 Ca 0.09 -0.44 -0.00 0.00 0.04 0.00 0.00 54.97 54.65 2kgk s GLU 159 Cb -0.09 0.46 0.12 0.00 0.02 0.00 0.00 34.13 34.65 2kgk s GLU 159 CO 0.01 -0.38 0.86 1.63 -1.84 0.00 0.00 175.26 175.54 2kgk n LYS 160 N 0.17 -0.01 -0.02 -4.83 4.76 -0.65 -3.75 118.16 113.83 2kgk n LYS 160 Ca -0.18 -2.33 -0.16 0.00 -2.87 0.00 0.00 58.31 52.78 2kgk n LYS 160 Cb 0.62 -0.57 -0.13 0.00 -1.84 0.00 0.00 35.03 33.10 2kgk n LYS 160 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 2kgk h GLN 161 N 0.00 0.15 0.00 1.97 1.08 -1.98 -3.49 115.11 112.84 2kgk h GLN 161 Ca -0.28 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 56.69 2kgk h GLN 161 Cb 1.05 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 2kgk h GLN 161 CO 0.30 1.05 0.00 1.04 -0.95 0.00 0.00 178.83 180.28