#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 0.82 -0.22 2.02 1.01 -1.00 -5.07 121.20 118.76 2kgk s ILE 2 Ca 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 60.65 60.42 2kgk s ILE 2 Cb 0.00 -0.90 -0.02 0.00 0.01 0.00 0.00 42.46 41.55 2kgk s ILE 2 CO 0.00 0.31 -0.01 0.68 0.00 0.00 0.00 174.94 175.93 2kgk s VAL 3 N 1.79 3.74 0.06 2.92 -7.23 -1.26 -2.63 120.40 117.78 2kgk s VAL 3 Ca 0.05 -0.37 0.08 0.00 -1.81 0.00 0.00 61.98 59.93 2kgk s VAL 3 Cb -0.13 -2.71 -0.03 0.00 0.56 0.00 0.00 36.38 34.07 2kgk s VAL 3 CO -0.07 0.40 -0.21 -0.55 -0.31 0.00 0.00 175.10 174.36 2kgk s SER 4 N 1.37 3.61 0.06 4.85 0.15 -0.47 -0.69 113.70 122.59 2kgk s SER 4 Ca 0.05 -0.51 0.08 0.00 0.70 0.00 0.00 55.95 56.27 2kgk s SER 4 Cb -0.15 -0.49 -0.03 0.00 -1.71 0.00 0.00 66.02 63.64 2kgk s SER 4 CO -0.00 0.24 -0.22 0.12 1.20 0.00 0.00 173.24 174.58 2kgk s PHE 5 N -0.93 1.94 -0.20 3.44 2.19 -0.56 -0.12 117.98 123.74 2kgk s PHE 5 Ca 0.14 -0.39 -0.01 0.00 0.33 0.00 0.00 56.93 57.00 2kgk s PHE 5 Cb -0.10 -1.13 0.06 0.00 -1.31 0.00 0.00 43.02 40.53 2kgk s PHE 5 CO 0.05 0.14 -0.01 1.41 1.83 0.00 0.00 175.22 178.64 2kgk s MET 6 N -1.40 1.14 0.01 10.12 -2.45 -0.92 -1.80 119.30 123.99 2kgk s MET 6 Ca 0.09 -0.65 -0.01 0.00 -1.25 0.00 0.00 55.69 53.86 2kgk s MET 6 Cb -0.09 -2.27 -0.01 0.00 1.25 0.00 0.00 34.83 33.71 2kgk s MET 6 CO 0.03 -0.59 0.01 0.54 1.05 0.00 0.00 175.02 176.05 2kgk s VAL 7 N 1.65 0.07 0.59 10.11 0.11 -0.83 -4.56 120.40 127.54 2kgk s VAL 7 Ca -0.03 -0.55 0.07 0.00 -2.93 0.00 0.00 61.98 58.54 2kgk s VAL 7 Cb -0.17 -0.20 0.09 0.00 -1.53 0.00 0.00 36.38 34.56 2kgk s VAL 7 CO -0.07 -0.30 0.82 0.00 -3.33 0.00 0.00 175.10 172.21 2kgk s ALA 8 N -0.91 4.50 -0.22 1.54 0.00 -1.26 -2.38 121.76 123.01 2kgk s ALA 8 Ca -0.10 -2.02 -0.04 0.00 0.00 0.00 0.00 51.96 49.79 2kgk s ALA 8 Cb -0.06 -1.59 0.08 0.00 0.00 0.00 0.00 23.12 21.56 2kgk s ALA 8 CO -0.00 -0.94 0.14 1.41 0.00 0.00 0.00 175.76 176.37 2kgk s MET 9 N -4.74 0.14 -0.00 0.00 1.75 0.26 -4.64 119.30 112.06 2kgk s MET 9 Ca 0.62 -0.20 -0.30 0.00 -1.25 0.00 0.00 55.69 54.56 2kgk s MET 9 Cb -0.06 -1.44 -0.05 0.00 2.84 0.00 0.00 34.83 36.13 2kgk s MET 9 CO 0.40 -0.81 1.25 -0.51 -0.65 0.00 0.00 175.02 174.69 2kgk s ASP 10 N 2.17 7.01 0.65 1.11 1.01 -0.97 -1.78 116.67 125.86 2kgk s ASP 10 Ca 0.06 1.95 0.31 0.00 0.71 0.00 0.00 52.55 55.58 2kgk s ASP 10 Cb -0.16 -2.57 1.68 0.00 1.01 0.00 0.00 42.92 42.89 2kgk s ASP 10 CO -0.20 -0.58 1.97 1.05 0.21 0.00 0.00 175.17 177.62 2kgk h GLU 11 N 7.30 0.00 0.00 8.23 4.11 -1.81 -1.17 114.58 131.24 2kgk h GLU 11 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.05 2kgk h GLU 11 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2kgk h GLU 11 CO 0.86 0.00 -0.40 0.27 0.07 0.00 0.00 179.01 179.81 2kgk n ASN 12 N -3.11 1.58 0.00 3.06 2.04 -1.26 -5.03 115.26 112.54 2kgk n ASN 12 Ca -0.00 -0.36 0.00 0.00 -0.44 0.00 0.00 54.58 53.78 2kgk n ASN 12 Cb 0.39 1.02 0.00 0.00 -2.53 0.00 0.00 39.78 38.66 2kgk n ASN 12 CO 0.00 0.00 0.00 -1.14 -0.44 0.00 0.00 177.26 175.68 2kgk n ARG 13 N -1.20 0.48 0.00 -3.83 3.00 -0.44 -4.81 116.66 109.86 2kgk n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2kgk n ARG 13 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.49 2kgk n ARG 13 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 2kgk n VAL 14 N 0.00 0.00 0.13 5.15 3.14 0.06 -2.50 118.33 124.31 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 -0.09 0.00 0.00 -1.06 0.00 0.00 33.84 32.69 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 -1.59 0.00 -1.62 1.55 -5.35 -1.17 -2.30 119.36 108.88 2kgk n ILE 15 Ca 0.00 0.00 -0.39 0.00 -0.27 0.00 0.00 62.75 62.09 2kgk n ILE 15 Cb 0.08 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 37.93 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 -1.46 2.30 0.18 3.28 0.00 -1.23 -2.95 105.19 105.30 2kgk n GLY 16 Ca 0.00 -1.15 0.13 0.00 0.00 0.00 0.00 46.02 45.00 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 8.20 0.00 -0.01 1.61 5.09 -0.59 0.38 116.57 131.25 2kgk h LYS 17 Ca 0.38 0.00 0.03 0.00 0.09 0.00 0.00 60.65 61.15 2kgk h LYS 17 Cb 0.77 0.00 -0.15 0.00 0.10 0.00 0.00 32.23 32.95 2kgk h LYS 17 CO 1.69 0.00 -0.03 -3.47 -2.09 0.00 0.00 179.45 175.55 2kgk n ASP 18 N -2.75 -1.04 0.00 7.07 2.03 -1.26 -2.15 116.55 118.45 2kgk n ASP 18 Ca 0.04 -0.77 0.00 0.00 0.52 0.00 0.00 54.79 54.59 2kgk n ASP 18 Cb 0.47 0.52 0.00 0.00 -0.72 0.00 0.00 41.12 41.39 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 2.28 0.00 -0.50 1.67 5.03 -1.26 -4.78 115.26 117.70 2kgk n ASN 19 Ca 0.08 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.53 2kgk n ASN 19 Cb 0.68 -1.09 0.00 0.00 -1.02 0.00 0.00 39.78 38.34 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 -4.59 6.41 0.23 -1.26 -4.38 115.26 111.67 2kgk n ASN 20 Ca 0.00 -0.50 -0.23 0.00 -0.53 0.00 0.00 54.58 53.31 2kgk n ASN 20 Cb 0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.62 2kgk n ASN 20 CO 0.00 0.00 0.00 -1.48 -0.93 0.00 0.00 177.26 174.85 2kgk s LEU 21 N 0.00 3.02 0.14 -4.53 -0.00 -1.15 0.07 118.68 116.22 2kgk s LEU 21 Ca 0.00 -0.75 -0.30 0.00 -0.00 0.00 0.00 54.13 53.07 2kgk s LEU 21 Cb 0.00 -1.54 -0.07 0.00 -0.00 0.00 0.00 46.19 44.59 2kgk s LEU 21 CO 0.00 0.01 1.08 -2.16 -0.00 0.00 0.00 176.35 175.28 2kgk s PRO 22 N -3.61 4.59 0.97 1.48 0.04 -1.26 -4.97 135.00 132.23 2kgk s PRO 22 Ca 0.31 1.65 -0.14 0.00 0.04 0.00 0.00 61.00 62.86 2kgk s PRO 22 Cb -0.06 -3.32 0.17 0.00 0.04 0.00 0.00 34.50 31.34 2kgk s PRO 22 CO 0.18 0.05 1.17 -1.58 0.04 0.00 0.00 177.00 176.87 2kgk s TRP 23 N 0.07 1.99 0.00 0.56 0.52 -1.26 -5.10 118.94 115.71 2kgk s TRP 23 Ca 0.50 0.68 0.00 0.00 0.02 0.00 0.00 56.10 57.30 2kgk s TRP 23 Cb -0.28 -3.56 0.00 0.00 -1.15 0.00 0.00 33.47 28.49 2kgk s TRP 23 CO 0.33 -2.67 0.00 2.89 0.02 0.00 0.00 176.95 177.52 2kgk n ARG 24 N -3.92 1.26 -1.63 4.98 1.85 -1.26 -5.08 116.66 112.85 2kgk n ARG 24 Ca 0.10 0.00 -0.52 0.00 -1.00 0.00 0.00 57.85 56.43 2kgk n ARG 24 Cb 0.59 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.95 2kgk n ARG 24 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2kgk n LEU 25 N 0.00 2.16 0.27 2.89 7.94 -1.26 -4.82 117.00 124.18 2kgk n LEU 25 Ca 0.00 1.10 0.10 0.00 -1.11 0.00 0.00 56.01 56.10 2kgk n LEU 25 Cb 0.00 -1.24 0.71 0.00 0.53 0.00 0.00 43.42 43.43 2kgk n LEU 25 CO 0.00 -0.73 1.06 1.55 -1.11 0.00 0.00 177.39 178.16 2kgk h PRO 26 N 5.58 0.00 -0.33 1.96 0.13 -1.98 -1.52 132.00 135.84 2kgk h PRO 26 Ca -0.47 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.51 2kgk h PRO 26 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 2kgk h PRO 26 CO 0.84 0.03 -0.39 1.03 -0.23 0.00 0.00 178.00 179.27 2kgk h SER 27 N 0.00 0.84 -0.29 1.44 0.87 -2.00 -2.61 113.55 111.80 2kgk h SER 27 Ca -0.00 -0.38 -0.08 0.00 -1.23 0.00 0.00 61.79 60.10 2kgk h SER 27 Cb 0.06 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 2kgk h SER 27 CO 0.00 1.13 -0.09 -0.08 -0.53 0.00 0.00 176.83 177.26 2kgk h GLU 28 N 0.64 0.69 0.00 2.24 4.22 -1.65 -0.19 114.58 120.54 2kgk h GLU 28 Ca 0.05 -0.21 -0.05 0.00 0.08 0.00 0.00 59.36 59.23 2kgk h GLU 28 Cb 0.95 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2kgk h GLU 28 CO 0.09 0.77 -0.23 1.37 -2.18 0.00 0.00 179.01 178.83 2kgk h LEU 29 N 0.64 0.00 0.12 1.64 8.10 -1.29 -1.81 115.31 122.71 2kgk h LEU 29 Ca 0.11 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 57.90 2kgk h LEU 29 Cb 0.53 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.76 2kgk h LEU 29 CO 0.03 0.23 -0.97 1.56 -4.11 0.00 0.00 178.44 175.18 2kgk h GLN 30 N 0.00 0.25 -0.33 0.17 4.20 -0.97 -2.62 115.11 115.81 2kgk h GLN 30 Ca -0.00 -0.43 0.01 0.00 0.06 0.00 0.00 58.65 58.29 2kgk h GLN 30 Cb 0.54 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 2kgk h GLN 30 CO 0.03 1.21 0.19 -0.92 -0.67 0.00 0.00 178.83 178.67 2kgk h TYR 31 N -0.41 0.36 -0.09 2.96 3.20 -0.93 -1.39 116.97 120.66 2kgk h TYR 31 Ca -0.19 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.68 2kgk h TYR 31 Cb 1.63 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 39.78 2kgk h TYR 31 CO 0.18 0.21 -0.00 -0.24 -1.64 0.00 0.00 178.16 176.66 2kgk h VAL 32 N 0.39 1.25 -0.96 1.81 3.04 -1.47 -2.11 116.25 118.19 2kgk h VAL 32 Ca 0.13 -0.80 0.20 0.00 -1.01 0.00 0.00 66.70 65.22 2kgk h VAL 32 Cb 0.01 1.62 -0.09 0.00 -2.01 0.00 0.00 31.29 30.82 2kgk h VAL 32 CO -0.07 0.23 0.61 0.50 -1.01 0.00 0.00 177.57 177.83 2kgk h LYS 33 N -0.13 0.59 -0.00 4.17 3.64 -1.28 0.21 116.57 123.77 2kgk h LYS 33 Ca 0.02 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.21 2kgk h LYS 33 Cb 0.35 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2kgk h LYS 33 CO 0.00 0.39 -0.74 -0.22 -2.27 0.00 0.00 179.45 176.61 2kgk h LYS 34 N 0.60 0.01 0.10 1.90 3.64 -1.05 -1.06 116.57 120.70 2kgk h LYS 34 Ca 0.53 -0.01 -0.26 0.00 -1.27 0.00 0.00 60.65 59.64 2kgk h LYS 34 Cb 1.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2kgk h LYS 34 CO -0.28 0.75 -1.17 0.00 -2.27 0.00 0.00 179.45 176.48 2kgk h THR 35 N 0.00 1.49 0.00 1.00 1.03 -0.03 -3.28 112.91 113.13 2kgk h THR 35 Ca -0.01 -2.96 -0.05 0.00 -0.01 0.00 0.00 66.41 63.38 2kgk h THR 35 Cb 1.31 2.84 -0.01 0.00 -1.07 0.00 0.00 68.15 71.22 2kgk h THR 35 CO 0.10 0.87 -0.69 0.00 -0.01 0.00 0.00 175.52 175.78 2kgk h THR 36 N 0.10 0.27 -1.09 0.00 1.03 -0.81 -3.47 112.91 108.94 2kgk h THR 36 Ca -0.12 -1.43 -0.78 0.00 -0.01 0.00 0.00 66.41 64.07 2kgk h THR 36 Cb 1.88 1.93 0.05 0.00 -1.07 0.00 0.00 68.15 70.93 2kgk h THR 36 CO 0.19 0.15 0.18 1.15 -0.01 0.00 0.00 175.52 177.18 2kgk n MET 37 N -2.95 0.15 0.00 0.00 3.85 -0.40 -2.32 117.12 115.45 2kgk n MET 37 Ca -0.00 0.06 0.00 0.00 -1.00 0.00 0.00 57.70 56.75 2kgk n MET 37 Cb 0.64 -1.58 0.00 0.00 -1.05 0.00 0.00 33.22 31.23 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 1.88 0.93 3.15 3.17 0.00 -1.04 -5.04 105.19 108.25 2kgk n GLY 38 Ca 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.00 1.28 0.59 1.61 3.76 -0.98 -4.96 115.29 114.58 2kgk s HIS 39 Ca 0.00 -0.34 -0.16 0.00 -0.15 0.00 0.00 55.06 54.41 2kgk s HIS 39 Cb 0.00 -0.77 -0.04 0.00 1.11 0.00 0.00 32.58 32.88 2kgk s HIS 39 CO 0.00 0.03 1.06 -1.25 -0.85 0.00 0.00 174.74 173.73 2kgk s PRO 40 N -1.04 3.35 -0.13 8.40 0.04 -1.26 -4.58 135.00 139.77 2kgk s PRO 40 Ca 0.03 1.22 -0.01 0.00 0.04 0.00 0.00 61.00 62.27 2kgk s PRO 40 Cb -0.08 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 2kgk s PRO 40 CO 0.01 -0.79 -0.10 -0.51 0.04 0.00 0.00 177.00 175.65 2kgk s LEU 41 N -4.43 2.89 -0.31 -3.56 2.01 -0.97 -2.51 118.68 111.80 2kgk s LEU 41 Ca 0.64 -0.25 0.01 0.00 0.01 0.00 0.00 54.13 54.53 2kgk s LEU 41 Cb -0.16 -1.66 0.07 0.00 0.01 0.00 0.00 46.19 44.45 2kgk s LEU 41 CO 0.36 0.18 0.01 -0.63 1.01 0.00 0.00 176.35 177.27 2kgk s ILE 42 N 0.28 2.64 0.35 -0.59 1.09 -0.93 -0.17 121.20 123.88 2kgk s ILE 42 Ca -0.08 -1.75 0.09 0.00 -1.10 0.00 0.00 60.65 57.81 2kgk s ILE 42 Cb -0.15 -2.66 -0.05 0.00 -1.06 0.00 0.00 42.46 38.54 2kgk s ILE 42 CO 0.05 -0.27 0.04 -0.04 -0.10 0.00 0.00 174.94 174.62 2kgk s MET 43 N 1.12 2.10 0.55 2.79 -1.94 -0.57 0.25 119.30 123.60 2kgk s MET 43 Ca -0.01 -1.77 -0.17 0.00 -1.71 0.00 0.00 55.69 52.03 2kgk s MET 43 Cb -0.20 -1.93 -0.06 0.00 2.01 0.00 0.00 34.83 34.65 2kgk s MET 43 CO -0.04 0.10 1.04 0.20 -0.01 0.00 0.00 175.02 176.31 2kgk s GLY 44 N -3.74 2.24 0.22 -0.03 0.00 -0.98 -1.42 107.32 103.61 2kgk s GLY 44 Ca 0.36 0.43 -0.07 0.00 0.00 0.00 0.00 44.72 45.44 2kgk s GLY 44 CO 0.20 0.75 1.83 0.07 0.00 0.00 0.00 173.10 175.95 2kgk h ARG 45 N 0.86 1.23 0.00 2.90 -0.00 -1.82 0.23 114.38 117.79 2kgk h ARG 45 Ca -0.48 -0.16 -0.06 0.00 -0.00 0.00 0.00 59.98 59.27 2kgk h ARG 45 Cb 1.22 -0.23 -0.01 0.00 -0.00 0.00 0.00 29.97 30.95 2kgk h ARG 45 CO 0.58 0.92 -0.31 -0.22 -0.00 0.00 0.00 179.97 180.95 2kgk h LYS 46 N 1.22 0.00 -0.04 0.08 3.64 -1.93 -2.43 116.57 117.12 2kgk h LYS 46 Ca 0.30 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.49 2kgk h LYS 46 Cb 0.08 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2kgk h LYS 46 CO -0.04 0.31 -0.81 -0.97 -2.27 0.00 0.00 179.45 175.66 2kgk h ASN 47 N 0.00 0.42 0.76 4.20 -0.73 -1.59 -2.59 115.58 116.05 2kgk h ASN 47 Ca -0.00 -0.30 -0.24 0.00 1.87 0.00 0.00 56.30 57.62 2kgk h ASN 47 Cb 1.20 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.65 2kgk h ASN 47 CO 0.04 1.07 -1.10 0.22 -0.37 0.00 0.00 177.43 177.29 2kgk h TYR 48 N 0.21 0.29 -0.33 0.67 3.20 -0.55 -1.20 116.97 119.26 2kgk h TYR 48 Ca -0.04 -0.20 -0.11 0.00 3.14 0.00 0.00 58.73 61.52 2kgk h TYR 48 Cb 1.41 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.65 2kgk h TYR 48 CO 0.04 1.13 -0.24 1.05 -1.64 0.00 0.00 178.16 178.51 2kgk h GLU 49 N 0.05 0.64 0.00 1.82 4.11 -1.44 1.05 114.58 120.82 2kgk h GLU 49 Ca -0.08 -0.25 -0.01 0.00 0.07 0.00 0.00 59.36 59.09 2kgk h GLU 49 Cb 1.83 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 31.05 2kgk h GLU 49 CO 0.17 0.83 -0.04 0.00 0.07 0.00 0.00 179.01 180.03 2kgk h ALA 50 N 1.18 0.01 -0.49 1.06 0.00 -1.50 -3.34 119.26 116.18 2kgk h ALA 50 Ca 0.08 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 2kgk h ALA 50 Cb 0.71 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2kgk h ALA 50 CO 0.05 0.02 -0.03 0.82 0.00 0.00 0.00 179.25 180.12 2kgk h ILE 51 N -1.00 1.25 0.00 0.00 2.04 -1.26 -3.45 117.51 115.09 2kgk h ILE 51 Ca -0.01 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.78 2kgk h ILE 51 Cb 0.78 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 2kgk h ILE 51 CO -0.01 0.38 0.00 0.61 0.00 0.00 0.00 178.15 179.13 2kgk n GLY 52 N -0.55 0.00 3.14 5.37 0.00 0.36 -4.82 105.19 108.70 2kgk n GLY 52 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2kgk n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kgk s ARG 53 N -0.60 2.16 0.00 1.61 0.52 -1.26 -5.05 118.95 116.33 2kgk s ARG 53 Ca 0.00 -1.61 0.00 0.00 -0.52 0.00 0.00 55.73 53.60 2kgk s ARG 53 Cb 0.00 -3.45 0.00 0.00 0.52 0.00 0.00 34.95 32.02 2kgk s ARG 53 CO 0.00 -0.91 0.00 -0.35 0.02 0.00 0.00 175.30 174.06 2kgk n PRO 54 N 4.61 0.08 -4.04 3.54 -0.04 -1.26 -5.05 135.00 132.84 2kgk n PRO 54 Ca -0.06 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.07 2kgk n PRO 54 Cb 0.42 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.73 2kgk n PRO 54 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2kgk s LEU 55 N 0.00 3.06 0.00 1.53 2.96 -1.26 -4.96 118.68 120.01 2kgk s LEU 55 Ca 0.00 -1.04 0.11 0.00 -0.22 0.00 0.00 54.13 52.98 2kgk s LEU 55 Cb 0.00 -1.58 0.65 0.00 0.50 0.00 0.00 46.19 45.76 2kgk s LEU 55 CO 0.00 -0.13 1.08 -0.81 -1.32 0.00 0.00 176.35 175.17 2kgk n PRO 56 N 4.56 0.47 0.00 0.98 -0.04 -1.26 -2.38 135.00 137.33 2kgk n PRO 56 Ca -0.16 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.40 2kgk n PRO 56 Cb 0.46 -1.36 0.59 0.00 -0.04 0.00 0.00 33.50 33.15 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 -0.05 -0.83 0.00 0.55 0.00 -1.26 -4.93 105.19 98.66 2kgk n GLY 57 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2kgk n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kgk n ARG 58 N -0.87 -0.13 -1.53 1.61 5.12 -1.00 -2.49 116.66 117.36 2kgk n ARG 58 Ca 0.15 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.77 2kgk n ARG 58 Cb 0.07 0.00 0.10 0.00 -1.16 0.00 0.00 32.46 31.47 2kgk n ARG 58 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2kgk s ARG 59 N -2.00 1.88 -0.08 5.56 0.52 -1.26 -4.71 118.95 118.86 2kgk s ARG 59 Ca 0.00 0.59 -0.00 0.00 -0.52 0.00 0.00 55.73 55.80 2kgk s ARG 59 Cb 0.00 -1.90 0.02 0.00 0.52 0.00 0.00 34.95 33.59 2kgk s ARG 59 CO 0.00 -1.75 -0.05 0.54 0.02 0.00 0.00 175.30 174.06 2kgk s ASN 60 N -3.90 1.64 -0.11 0.23 4.22 -1.26 -2.30 114.94 113.46 2kgk s ASN 60 Ca 0.61 -0.19 0.03 0.00 -2.14 0.00 0.00 52.86 51.17 2kgk s ASN 60 Cb -0.15 -0.62 0.01 0.00 1.28 0.00 0.00 41.25 41.77 2kgk s ASN 60 CO 0.54 -0.11 -0.19 -0.63 -2.04 0.00 0.00 177.10 174.67 2kgk s ILE 61 N 1.46 1.75 -0.16 0.54 1.09 0.76 -1.82 121.20 124.83 2kgk s ILE 61 Ca -0.01 -0.82 -0.06 0.00 -1.10 0.00 0.00 60.65 58.66 2kgk s ILE 61 Cb -0.13 -1.55 -0.04 0.00 -1.06 0.00 0.00 42.46 39.68 2kgk s ILE 61 CO -0.04 0.49 0.04 0.27 -0.10 0.00 0.00 174.94 175.61 2kgk s ILE 62 N 0.68 4.65 -0.04 2.92 -4.36 0.11 -1.52 121.20 123.63 2kgk s ILE 62 Ca -0.12 -0.09 -0.24 0.00 -0.26 0.00 0.00 60.65 59.93 2kgk s ILE 62 Cb -0.16 -3.06 -0.04 0.00 1.25 0.00 0.00 42.46 40.45 2kgk s ILE 62 CO 0.03 0.50 0.73 -0.69 0.24 0.00 0.00 174.94 175.75 2kgk s VAL 63 N 0.03 4.98 -0.19 8.37 1.01 -0.51 -1.12 120.40 132.98 2kgk s VAL 63 Ca 0.05 1.51 -0.18 0.00 0.00 0.00 0.00 61.98 63.36 2kgk s VAL 63 Cb -0.12 -4.07 0.05 0.00 0.00 0.00 0.00 36.38 32.24 2kgk s VAL 63 CO 0.01 0.27 0.51 0.28 0.00 0.00 0.00 175.10 176.17 2kgk s THR 64 N 0.65 -0.00 -0.72 3.92 -1.32 -0.90 -2.51 115.64 114.76 2kgk s THR 64 Ca 0.39 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.71 2kgk s THR 64 Cb -0.18 -0.72 0.17 0.00 -1.51 0.00 0.00 72.50 70.25 2kgk s THR 64 CO 0.20 0.00 0.73 0.00 -2.21 0.00 0.00 174.62 173.34 2kgk s ARG 65 N 0.31 3.35 -0.30 7.08 1.70 -1.26 -4.39 118.95 125.43 2kgk s ARG 65 Ca -0.00 -1.99 -0.15 0.00 -0.47 0.00 0.00 55.73 53.12 2kgk s ARG 65 Cb -0.04 -4.42 0.17 0.00 -0.57 0.00 0.00 34.95 30.09 2kgk s ARG 65 CO 0.00 -1.40 0.99 -0.80 -1.08 0.00 0.00 175.30 173.01 2kgk s ASN 66 N 2.96 -0.58 -0.34 -2.89 0.01 -1.26 -5.09 114.94 107.75 2kgk s ASN 66 Ca 0.15 0.77 -0.29 0.00 -0.71 0.00 0.00 52.86 52.78 2kgk s ASN 66 Cb -0.17 1.65 -0.00 0.00 0.41 0.00 0.00 41.25 43.13 2kgk s ASN 66 CO -0.03 -0.11 1.51 -1.83 -1.51 0.00 0.00 177.10 175.12 2kgk s GLU 67 N 2.47 3.62 0.00 -0.60 4.04 -1.26 -2.23 118.70 124.74 2kgk s GLU 67 Ca -0.02 1.22 0.00 0.00 0.04 0.00 0.00 54.97 56.20 2kgk s GLU 67 Cb -0.06 -4.04 0.00 0.00 0.02 0.00 0.00 34.13 30.05 2kgk s GLU 67 CO -0.17 -1.50 0.00 0.41 -1.84 0.00 0.00 175.26 172.16 2kgk n GLY 68 N 4.94 0.56 3.78 -3.83 0.00 -1.26 -5.07 105.19 104.31 2kgk n GLY 68 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 2.72 -0.16 1.61 5.04 -0.95 -5.02 117.35 118.59 2kgk s TYR 69 Ca 0.00 1.24 -0.11 0.00 -2.44 0.00 0.00 57.07 55.76 2kgk s TYR 69 Cb 0.00 -3.92 0.05 0.00 0.35 0.00 0.00 41.96 38.44 2kgk s TYR 69 CO 0.00 -2.67 0.40 -1.58 -1.34 0.00 0.00 175.55 170.36 2kgk s HIS 70 N -1.13 -0.53 -0.16 4.97 2.46 -1.26 -4.93 115.29 114.72 2kgk s HIS 70 Ca 0.52 1.18 0.00 0.00 0.47 0.00 0.00 55.06 57.23 2kgk s HIS 70 Cb -0.45 0.21 0.03 0.00 -0.13 0.00 0.00 32.58 32.25 2kgk s HIS 70 CO 0.60 -0.29 -0.09 0.08 -2.47 0.00 0.00 174.74 172.57 2kgk s VAL 71 N 0.98 1.33 0.16 0.89 1.01 -1.26 -5.10 120.40 118.41 2kgk s VAL 71 Ca -0.06 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 2kgk s VAL 71 Cb -0.07 -1.39 -0.08 0.00 0.00 0.00 0.00 36.38 34.84 2kgk s VAL 71 CO -0.08 0.26 1.32 -1.61 0.00 0.00 0.00 175.10 174.99 2kgk s GLU 72 N 1.56 4.38 0.00 2.72 2.02 -1.26 -2.30 118.70 125.81 2kgk s GLU 72 Ca 0.02 2.03 0.00 0.00 0.02 0.00 0.00 54.97 57.04 2kgk s GLU 72 Cb -0.14 -3.23 0.00 0.00 0.10 0.00 0.00 34.13 30.86 2kgk s GLU 72 CO -0.09 -0.30 0.00 0.41 0.02 0.00 0.00 175.26 175.30 2kgk n GLY 73 N 2.79 0.89 3.14 -1.39 0.00 -1.26 -5.02 105.19 104.34 2kgk n GLY 73 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.10 4.21 -0.05 0.00 8.01 -0.76 -4.28 118.70 124.73 2kgk s GLU 75 Ca -0.12 0.78 -0.06 0.00 0.01 0.00 0.00 54.97 55.59 2kgk s GLU 75 Cb -0.06 -3.01 -0.04 0.00 -4.31 0.00 0.00 34.13 26.70 2kgk s GLU 75 CO 0.02 0.49 0.19 0.54 0.01 0.00 0.00 175.26 176.51 2kgk s VAL 76 N -1.38 5.43 0.35 2.63 0.11 -1.26 0.06 120.40 126.34 2kgk s VAL 76 Ca 0.38 0.09 0.04 0.00 -2.93 0.00 0.00 61.98 59.56 2kgk s VAL 76 Cb -0.18 -3.49 -0.04 0.00 -1.53 0.00 0.00 36.38 31.14 2kgk s VAL 76 CO 0.21 0.46 0.14 0.00 -3.33 0.00 0.00 175.10 172.58 2kgk s ALA 77 N -1.19 2.38 0.49 1.54 0.00 -0.27 -4.88 121.76 119.83 2kgk s ALA 77 Ca 0.22 -1.61 -0.00 0.00 0.00 0.00 0.00 51.96 50.57 2kgk s ALA 77 Cb -0.13 0.94 0.02 0.00 0.00 0.00 0.00 23.12 23.95 2kgk s ALA 77 CO 0.12 -0.42 0.11 1.58 0.00 0.00 0.00 175.76 177.15 2kgk n HIS 78 N -0.72 -3.42 -0.48 0.00 -0.00 -1.26 -2.12 115.22 107.22 2kgk n HIS 78 Ca -0.02 -0.18 -0.21 0.00 0.46 0.00 0.00 57.72 57.77 2kgk n HIS 78 Cb 0.65 -0.08 0.19 0.00 -0.12 0.00 0.00 29.99 30.63 2kgk n HIS 78 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2kgk n SER 79 N -3.00 -2.74 0.10 0.26 7.64 -1.26 -4.15 113.62 110.47 2kgk n SER 79 Ca 0.02 -0.77 0.20 0.00 1.01 0.00 0.00 58.87 59.33 2kgk n SER 79 Cb 0.06 -0.69 0.74 0.00 -1.01 0.00 0.00 64.21 63.31 2kgk n SER 79 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2kgk h VAL 80 N -2.79 0.35 0.16 0.44 3.04 -1.98 -1.42 116.25 114.04 2kgk h VAL 80 Ca -0.28 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.43 2kgk h VAL 80 Cb 0.90 0.63 -0.03 0.00 -2.01 0.00 0.00 31.29 30.78 2kgk h VAL 80 CO 0.17 0.00 -0.25 -0.33 -1.01 0.00 0.00 177.57 176.15 2kgk h GLU 81 N 0.00 -0.46 -0.29 4.17 5.08 -2.01 0.87 114.58 121.94 2kgk h GLU 81 Ca 0.19 0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.43 2kgk h GLU 81 Cb 1.10 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2kgk h GLU 81 CO -0.00 -0.31 -0.44 1.49 -1.00 0.00 0.00 179.01 178.75 2kgk h GLU 82 N -0.48 0.74 -0.95 2.33 4.57 -1.56 -3.07 114.58 116.16 2kgk h GLU 82 Ca 0.02 -0.40 0.04 0.00 -1.18 0.00 0.00 59.36 57.83 2kgk h GLU 82 Cb 0.49 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.04 2kgk h GLU 82 CO -0.12 1.03 0.62 0.28 -1.18 0.00 0.00 179.01 179.64 2kgk h VAL 83 N 0.59 1.15 -0.07 0.32 2.07 -1.14 0.44 116.25 119.61 2kgk h VAL 83 Ca 0.04 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.20 2kgk h VAL 83 Cb 0.99 -0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 2kgk h VAL 83 CO 0.09 0.22 -0.27 0.15 0.02 0.00 0.00 177.57 177.78 2kgk h PHE 84 N 1.18 -0.72 -0.24 1.57 3.57 -0.73 -1.49 116.94 120.09 2kgk h PHE 84 Ca 0.38 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.81 2kgk h PHE 84 Cb 0.03 0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 2kgk h PHE 84 CO -0.00 -0.35 -0.22 1.05 -2.23 0.00 0.00 178.31 176.55 2kgk h GLU 85 N -0.37 0.57 -0.66 1.11 4.11 -1.55 -2.92 114.58 114.87 2kgk h GLU 85 Ca 0.08 -0.29 0.19 0.00 0.07 0.00 0.00 59.36 59.41 2kgk h GLU 85 Cb 0.49 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 2kgk h GLU 85 CO -0.28 0.88 0.60 1.25 0.07 0.00 0.00 179.01 181.53 2kgk h LEU 86 N 0.27 0.00 -0.43 3.06 5.85 -0.62 0.20 115.31 123.64 2kgk h LEU 86 Ca 0.04 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 2kgk h LEU 86 Cb 0.77 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 2kgk h LEU 86 CO 0.06 0.00 0.10 0.00 -0.34 0.00 0.00 178.44 178.25 2kgk n LYS 88 N -4.52 0.42 0.10 0.00 2.85 0.69 -1.92 118.16 115.78 2kgk n LYS 88 Ca 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.26 2kgk n LYS 88 Cb 0.22 -1.38 -0.03 0.00 -0.65 0.00 0.00 35.03 33.18 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 -4.45 -5.58 -0.73 -1.26 -3.46 115.58 100.10 2kgk h ASN 89 Ca 0.00 0.00 -0.32 0.00 1.87 0.00 0.00 56.30 57.85 2kgk h ASN 89 Cb 0.00 0.00 -0.24 0.00 0.27 0.00 0.00 38.32 38.35 2kgk h ASN 89 CO 0.00 0.65 -0.75 -1.61 -0.37 0.00 0.00 177.43 175.35 2kgk s GLU 90 N -2.88 0.58 0.00 6.67 0.41 -0.81 -5.09 118.70 117.57 2kgk s GLU 90 Ca 0.02 -0.61 0.00 0.00 -0.41 0.00 0.00 54.97 53.97 2kgk s GLU 90 Cb 0.08 -0.45 0.00 0.00 -1.78 0.00 0.00 34.13 31.98 2kgk s GLU 90 CO 0.78 0.10 0.61 0.39 -0.49 0.00 0.00 175.26 176.65 2kgk n GLU 91 N 1.93 0.00 -3.52 1.61 1.02 -1.26 -4.56 120.64 115.85 2kgk n GLU 91 Ca -0.19 0.27 -0.37 0.00 -0.02 0.00 0.00 57.16 56.84 2kgk n GLU 91 Cb 0.56 -1.11 -0.08 0.00 -0.02 0.00 0.00 31.44 30.78 2kgk n GLU 91 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2kgk s GLU 92 N -1.44 4.14 -0.01 3.49 8.01 -1.26 -2.38 118.70 129.25 2kgk s GLU 92 Ca 0.00 -0.01 0.02 0.00 0.01 0.00 0.00 54.97 54.99 2kgk s GLU 92 Cb 0.00 -3.52 -0.01 0.00 -4.31 0.00 0.00 34.13 26.29 2kgk s GLU 92 CO 0.00 0.04 -0.08 0.96 0.01 0.00 0.00 175.26 176.19 2kgk s ILE 93 N 1.09 0.63 -0.05 -1.63 -0.00 -1.08 -4.48 121.20 115.68 2kgk s ILE 93 Ca 0.14 -0.34 0.00 0.00 -0.00 0.00 0.00 60.65 60.45 2kgk s ILE 93 Cb -0.14 -0.53 -0.03 0.00 -0.00 0.00 0.00 42.46 41.76 2kgk s ILE 93 CO 0.06 0.18 -0.02 -0.36 -0.00 0.00 0.00 174.94 174.79 2kgk s PHE 94 N -0.18 3.05 -0.22 1.37 0.40 -1.05 -1.37 117.98 119.99 2kgk s PHE 94 Ca 0.03 0.09 0.01 0.00 -0.60 0.00 0.00 56.93 56.46 2kgk s PHE 94 Cb -0.03 -1.72 0.06 0.00 0.51 0.00 0.00 43.02 41.84 2kgk s PHE 94 CO -0.00 0.42 -0.07 0.42 0.70 0.00 0.00 175.22 176.69 2kgk s ILE 95 N -0.93 1.56 -0.18 0.64 1.01 0.82 -2.19 121.20 121.93 2kgk s ILE 95 Ca 0.15 -1.17 0.20 0.00 0.00 0.00 0.00 60.65 59.83 2kgk s ILE 95 Cb -0.11 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.53 2kgk s ILE 95 CO 0.05 -0.03 0.97 0.15 0.00 0.00 0.00 174.94 176.07 2kgk h PHE 96 N 7.96 0.00 0.00 3.97 3.57 -0.81 -2.45 116.94 129.18 2kgk h PHE 96 Ca -0.20 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.30 2kgk h PHE 96 Cb 1.08 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.82 2kgk h PHE 96 CO 0.51 0.29 0.00 0.41 -2.23 0.00 0.00 178.31 177.28 2kgk n GLY 97 N 1.28 0.00 0.00 2.40 0.00 0.14 -4.72 105.19 104.29 2kgk n GLY 97 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.27 0.46 -0.02 0.00 -1.26 -2.33 105.19 100.77 2kgk n GLY 98 Ca 0.00 -1.02 -0.18 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.31 -0.66 4.61 0.00 -1.97 0.93 119.26 120.86 2kgk h ALA 99 Ca 0.00 -0.25 0.14 0.00 0.00 0.00 0.00 54.91 54.79 2kgk h ALA 99 Cb 0.00 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2kgk h ALA 99 CO 0.00 -1.22 0.45 -0.56 0.00 0.00 0.00 179.25 177.91 2kgk h GLN 100 N -1.16 0.30 0.01 0.00 3.07 -2.00 0.15 115.11 115.48 2kgk h GLN 100 Ca -0.12 -0.02 -0.19 0.00 0.09 0.00 0.00 58.65 58.41 2kgk h GLN 100 Cb 0.89 -0.07 -0.02 0.00 0.08 0.00 0.00 27.48 28.36 2kgk h GLN 100 CO 0.19 0.20 -0.89 0.82 0.09 0.00 0.00 178.83 179.24 2kgk h ILE 101 N 0.31 1.56 0.00 1.86 1.08 -1.84 -2.37 117.51 118.10 2kgk h ILE 101 Ca 0.32 -2.81 -0.10 0.00 -0.39 0.00 0.00 64.86 61.88 2kgk h ILE 101 Cb 0.81 2.56 -0.01 0.00 -3.07 0.00 0.00 36.82 37.10 2kgk h ILE 101 CO -0.08 0.81 -0.48 0.22 -0.69 0.00 0.00 178.15 177.93 2kgk h TYR 102 N 0.05 0.00 0.04 1.37 5.03 0.37 0.20 116.97 124.03 2kgk h TYR 102 Ca -0.03 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.19 2kgk h TYR 102 Cb 1.54 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.82 2kgk h TYR 102 CO 0.02 0.48 -0.43 0.22 -1.32 0.00 0.00 178.16 177.12 2kgk h ASP 103 N 0.00 0.14 0.34 -2.11 1.82 -1.15 -2.55 116.42 112.90 2kgk h ASP 103 Ca -0.00 -0.93 -0.12 0.00 -0.39 0.00 0.00 57.03 55.59 2kgk h ASP 103 Cb 0.92 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.88 2kgk h ASP 103 CO 0.06 1.19 -0.49 -0.07 -1.61 0.00 0.00 179.24 178.33 2kgk h LEU 104 N -0.80 0.20 -1.75 2.28 3.38 -1.45 -2.52 115.31 114.64 2kgk h LEU 104 Ca -0.09 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2kgk h LEU 104 Cb 1.24 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2kgk h LEU 104 CO 0.02 0.66 0.00 0.33 0.09 0.00 0.00 178.44 179.54 2kgk n PHE 105 N -3.96 0.63 -0.04 1.13 7.35 0.69 -4.18 117.46 119.09 2kgk n PHE 105 Ca -0.02 -0.32 -0.01 0.00 -0.76 0.00 0.00 57.45 56.34 2kgk n PHE 105 Cb 0.53 0.00 0.25 0.00 0.35 0.00 0.00 39.48 40.61 2kgk n PHE 105 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2kgk h LEU 106 N 2.78 0.58 -0.83 -2.13 5.85 -1.00 -1.40 115.31 119.16 2kgk h LEU 106 Ca 0.00 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2kgk h LEU 106 Cb 0.64 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2kgk h LEU 106 CO 0.00 0.65 0.00 -0.81 -0.34 0.00 0.00 178.44 177.94 2kgk n PRO 107 N -4.26 1.53 0.00 5.25 -0.04 -1.26 -3.64 135.00 132.59 2kgk n PRO 107 Ca 0.02 -0.81 0.00 0.00 -0.04 0.00 0.00 63.50 62.67 2kgk n PRO 107 Cb 0.26 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 0.10 0.00 -3.42 0.54 4.02 -0.81 -5.05 117.16 112.54 2kgk n TYR 108 Ca 0.11 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.73 2kgk n TYR 108 Cb 0.22 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.52 2kgk n TYR 108 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2kgk s VAL 109 N -1.52 5.08 -0.11 -0.72 0.11 -0.59 -4.88 120.40 117.77 2kgk s VAL 109 Ca 0.00 -0.14 -0.00 0.00 -2.93 0.00 0.00 61.98 58.90 2kgk s VAL 109 Cb 0.00 -3.76 -0.06 0.00 -1.53 0.00 0.00 36.38 31.02 2kgk s VAL 109 CO 0.00 -0.34 -0.10 -0.67 -3.33 0.00 0.00 175.10 170.66 2kgk n ASP 110 N -1.06 2.74 -4.41 3.54 -0.08 -0.80 -4.90 116.55 111.59 2kgk n ASP 110 Ca -0.03 -0.02 -0.34 0.00 -1.51 0.00 0.00 54.79 52.89 2kgk n ASP 110 Cb 0.54 -0.20 -0.13 0.00 2.34 0.00 0.00 41.12 43.68 2kgk n ASP 110 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2kgk s LYS 111 N -2.21 3.53 -0.15 -0.67 1.02 0.14 -1.33 119.74 120.06 2kgk s LYS 111 Ca -0.14 -0.58 -0.02 0.00 0.02 0.00 0.00 55.97 55.25 2kgk s LYS 111 Cb 0.04 -2.95 -0.02 0.00 -0.52 0.00 0.00 37.83 34.38 2kgk s LYS 111 CO 0.23 0.04 -0.08 -0.51 -0.92 0.00 0.00 175.35 174.12 2kgk s LEU 112 N 0.87 2.99 -0.25 3.17 1.43 -0.03 -1.50 118.68 125.36 2kgk s LEU 112 Ca -0.01 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 2kgk s LEU 112 Cb -0.15 -1.71 0.06 0.00 0.03 0.00 0.00 46.19 44.43 2kgk s LEU 112 CO 0.01 0.15 -0.06 -0.31 0.23 0.00 0.00 176.35 176.37 2kgk s TYR 113 N 0.47 2.63 -0.01 0.29 2.02 -0.74 -0.67 117.35 121.34 2kgk s TYR 113 Ca -0.06 -1.93 0.07 0.00 -0.37 0.00 0.00 57.07 54.78 2kgk s TYR 113 Cb -0.15 -1.71 -0.02 0.00 -0.40 0.00 0.00 41.96 39.68 2kgk s TYR 113 CO 0.04 -0.81 -0.22 0.42 -1.57 0.00 0.00 175.55 173.40 2kgk s ILE 114 N 1.32 1.78 -0.08 2.71 1.09 -0.79 -1.96 121.20 125.26 2kgk s ILE 114 Ca -0.06 -1.01 0.01 0.00 -1.10 0.00 0.00 60.65 58.49 2kgk s ILE 114 Cb -0.19 -1.49 0.02 0.00 -1.06 0.00 0.00 42.46 39.74 2kgk s ILE 114 CO -0.06 0.46 -0.08 0.28 -0.10 0.00 0.00 174.94 175.44 2kgk s THR 115 N -0.57 0.93 -0.03 2.92 -1.32 -1.00 -0.50 115.64 116.08 2kgk s THR 115 Ca 0.09 -0.29 -0.06 0.00 -1.21 0.00 0.00 61.69 60.21 2kgk s THR 115 Cb -0.09 -0.93 -0.04 0.00 -1.51 0.00 0.00 72.50 69.93 2kgk s THR 115 CO -0.00 0.33 0.23 -1.59 -2.21 0.00 0.00 174.62 171.38 2kgk s LYS 116 N 1.25 3.53 -0.12 7.08 -2.85 -0.76 0.89 119.74 128.77 2kgk s LYS 116 Ca -0.04 -0.12 0.02 0.00 -1.00 0.00 0.00 55.97 54.83 2kgk s LYS 116 Cb -0.14 -3.11 0.01 0.00 -2.06 0.00 0.00 37.83 32.53 2kgk s LYS 116 CO -0.03 0.69 -0.18 0.42 0.10 0.00 0.00 175.35 176.35 2kgk s ILE 117 N -1.23 1.70 0.00 3.79 1.01 -0.74 -1.72 121.20 124.01 2kgk s ILE 117 Ca 0.24 -0.77 -0.04 0.00 0.00 0.00 0.00 60.65 60.08 2kgk s ILE 117 Cb -0.13 -1.53 -0.18 0.00 0.01 0.00 0.00 42.46 40.63 2kgk s ILE 117 CO 0.14 0.48 2.67 1.57 0.00 0.00 0.00 174.94 179.79 2kgk n HIS 118 N 4.11 0.00 -3.19 3.97 -0.00 -0.97 -2.84 115.22 116.30 2kgk n HIS 118 Ca -0.19 -1.05 0.04 0.00 0.46 0.00 0.00 57.72 56.98 2kgk n HIS 118 Cb 0.51 -1.21 -0.03 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 1.50 -0.23 -0.16 1.57 5.65 -1.26 -4.77 115.29 117.60 2kgk s HIS 119 Ca 0.45 0.31 -0.29 0.00 0.25 0.00 0.00 55.06 55.77 2kgk s HIS 119 Cb 0.22 0.10 0.11 0.00 -1.18 0.00 0.00 32.58 31.83 2kgk s HIS 119 CO 0.00 -0.12 0.94 0.00 -0.65 0.00 0.00 174.74 174.91 2kgk s ALA 120 N 2.57 -1.90 0.17 1.58 0.00 -1.26 -4.74 121.76 118.17 2kgk s ALA 120 Ca -0.04 1.59 0.10 0.00 0.00 0.00 0.00 51.96 53.61 2kgk s ALA 120 Cb -0.06 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 2kgk s ALA 120 CO -0.12 -0.31 -0.16 -0.06 0.00 0.00 0.00 175.76 175.11 2kgk s PHE 121 N -0.91 2.51 0.38 0.00 0.08 -1.26 -4.66 117.98 114.12 2kgk s PHE 121 Ca -0.03 -0.27 -0.22 0.00 0.12 0.00 0.00 56.93 56.53 2kgk s PHE 121 Cb -0.01 -1.25 -0.16 0.00 -0.57 0.00 0.00 43.02 41.03 2kgk s PHE 121 CO 0.02 0.48 0.14 -0.85 -0.10 0.00 0.00 175.22 174.91 2kgk n GLU 122 N 0.25 0.00 0.00 0.44 0.28 -1.26 -4.41 120.64 115.95 2kgk n GLU 122 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.88 2kgk n GLU 122 Cb 0.55 -0.99 0.00 0.00 1.43 0.00 0.00 31.44 32.43 2kgk n GLU 122 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kgk n GLY 123 N 2.28 0.34 0.00 -1.84 0.00 -0.91 -4.24 105.19 100.82 2kgk n GLY 123 Ca 0.12 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 -4.51 1.61 -0.08 0.13 -4.84 116.55 108.86 2kgk n ASP 124 Ca 0.00 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 52.89 2kgk n ASP 124 Cb 0.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 2kgk n ASP 124 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2kgk s THR 125 N -1.00 5.04 0.16 5.18 2.01 -1.00 -4.99 115.64 121.04 2kgk s THR 125 Ca 0.00 -0.18 0.10 0.00 0.31 0.00 0.00 61.69 61.92 2kgk s THR 125 Cb 0.00 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 2kgk s THR 125 CO 0.00 0.10 -0.22 0.72 -0.69 0.00 0.00 174.62 174.53 2kgk s PHE 126 N 1.69 2.05 -0.25 4.92 -0.71 -1.26 -0.76 117.98 123.67 2kgk s PHE 126 Ca 0.06 -0.41 -0.10 0.00 -1.04 0.00 0.00 56.93 55.44 2kgk s PHE 126 Cb -0.17 -1.04 -0.04 0.00 -1.21 0.00 0.00 43.02 40.55 2kgk s PHE 126 CO 0.09 0.38 0.14 0.12 -1.34 0.00 0.00 175.22 174.61 2kgk s PHE 127 N -1.66 3.24 0.00 3.49 5.36 -1.04 -4.58 117.98 122.79 2kgk s PHE 127 Ca 0.16 0.06 0.00 0.00 -0.96 0.00 0.00 56.93 56.19 2kgk s PHE 127 Cb -0.08 -2.27 0.00 0.00 -0.34 0.00 0.00 43.02 40.33 2kgk s PHE 127 CO 0.07 -0.06 0.00 -0.35 -1.46 0.00 0.00 175.22 173.42 2kgk n PRO 128 N 4.52 0.14 -3.80 10.12 -0.04 -1.26 -4.89 135.00 139.79 2kgk n PRO 128 Ca -0.15 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.02 2kgk n PRO 128 Cb 0.52 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.82 2kgk n PRO 128 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2kgk s GLU 129 N -1.41 0.95 0.00 0.54 -1.05 -1.26 -4.98 118.70 111.49 2kgk s GLU 129 Ca 0.00 -0.86 0.00 0.00 -0.15 0.00 0.00 54.97 53.96 2kgk s GLU 129 Cb 0.00 -2.23 0.00 0.00 -0.44 0.00 0.00 34.13 31.46 2kgk s GLU 129 CO 0.00 -0.77 0.00 -1.33 0.95 0.00 0.00 175.26 174.11 2kgk n MET 130 N 4.85 0.00 -3.61 -4.83 2.81 -1.26 -5.18 117.12 109.90 2kgk n MET 130 Ca -0.07 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.81 2kgk n MET 130 Cb 0.44 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.94 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 -1.58 -0.10 0.00 7.83 1.47 -1.26 -5.06 116.67 117.97 2kgk s ASP 131 Ca 0.00 -0.08 0.08 0.00 1.18 0.00 0.00 52.55 53.72 2kgk s ASP 131 Cb 0.00 0.17 0.13 0.00 -0.34 0.00 0.00 42.92 42.87 2kgk s ASP 131 CO 0.00 -0.29 0.95 1.15 0.68 0.00 0.00 175.17 177.66 2kgk n MET 132 N -0.31 0.00 0.12 2.11 0.00 -1.26 -4.90 117.12 112.88 2kgk n MET 132 Ca -0.05 -1.10 -0.01 0.00 0.00 0.00 0.00 57.70 56.54 2kgk n MET 132 Cb 0.61 0.10 0.09 0.00 0.00 0.00 0.00 33.22 34.02 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 5.89 1.34 -0.96 3.17 1.03 -2.05 -3.27 112.91 118.06 2kgk h THR 133 Ca -0.27 -2.43 0.29 0.00 -0.01 0.00 0.00 66.41 63.98 2kgk h THR 133 Cb 1.47 2.37 -0.17 0.00 -1.07 0.00 0.00 68.15 70.75 2kgk h THR 133 CO -0.08 0.66 0.19 -1.13 -0.01 0.00 0.00 175.52 175.15 2kgk h ASN 134 N 0.00 -0.19 -2.89 0.00 -0.73 -2.03 -3.39 115.58 106.34 2kgk h ASN 134 Ca -0.01 0.25 -0.46 0.00 1.87 0.00 0.00 56.30 57.96 2kgk h ASN 134 Cb 1.31 0.39 0.04 0.00 0.27 0.00 0.00 38.32 40.33 2kgk h ASN 134 CO 0.09 -0.32 -0.02 0.26 -0.37 0.00 0.00 177.43 177.06 2kgk s TRP 135 N -5.89 3.14 -0.10 0.67 0.52 -1.23 -5.05 118.94 111.00 2kgk s TRP 135 Ca -0.12 0.26 0.02 0.00 0.02 0.00 0.00 56.10 56.29 2kgk s TRP 135 Cb 0.29 -2.51 0.01 0.00 -1.15 0.00 0.00 33.47 30.12 2kgk s TRP 135 CO 0.78 -0.58 -0.17 0.21 0.02 0.00 0.00 176.95 177.21 2kgk s LYS 136 N -4.70 2.34 0.07 4.98 2.36 -1.20 -4.99 119.74 118.61 2kgk s LYS 136 Ca 0.51 -0.62 -0.26 0.00 -2.55 0.00 0.00 55.97 53.05 2kgk s LYS 136 Cb -0.10 -1.89 -0.06 0.00 -1.05 0.00 0.00 37.83 34.73 2kgk s LYS 136 CO 0.39 0.03 0.81 -1.83 1.55 0.00 0.00 175.35 176.31 2kgk s GLU 137 N 0.72 4.55 -0.03 4.03 -1.05 -1.26 -0.54 118.70 125.12 2kgk s GLU 137 Ca -0.12 1.17 0.01 0.00 -0.15 0.00 0.00 54.97 55.88 2kgk s GLU 137 Cb -0.16 -3.36 -0.03 0.00 -0.44 0.00 0.00 34.13 30.15 2kgk s GLU 137 CO 0.03 0.29 -0.01 1.33 0.95 0.00 0.00 175.26 177.84 2kgk n VAL 138 N 2.69 0.19 -4.15 1.83 0.24 -0.77 -4.95 118.33 113.42 2kgk n VAL 138 Ca -0.02 -0.09 -0.14 0.00 -2.04 0.00 0.00 64.34 62.05 2kgk n VAL 138 Cb 0.50 -0.75 -0.11 0.00 -1.47 0.00 0.00 33.84 32.01 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 -2.07 0.95 -0.23 6.34 2.19 -1.24 -5.06 117.98 118.87 2kgk s PHE 139 Ca -0.03 -0.64 -0.04 0.00 0.33 0.00 0.00 56.93 56.54 2kgk s PHE 139 Cb 0.01 -0.54 0.12 0.00 -1.31 0.00 0.00 43.02 41.31 2kgk s PHE 139 CO 0.09 -0.04 0.41 0.54 1.83 0.00 0.00 175.22 178.05 2kgk s VAL 140 N -2.28 -0.64 -0.10 3.12 0.11 -1.26 -1.13 120.40 118.22 2kgk s VAL 140 Ca 0.02 0.02 -0.03 0.00 -2.93 0.00 0.00 61.98 59.06 2kgk s VAL 140 Cb -0.04 -0.77 -0.03 0.00 -1.53 0.00 0.00 36.38 34.00 2kgk s VAL 140 CO -0.00 -0.05 0.04 -0.70 -3.33 0.00 0.00 175.10 171.06 2kgk s GLU 141 N 2.59 3.12 -0.07 1.54 2.12 -1.18 -4.96 118.70 121.85 2kgk s GLU 141 Ca 0.08 -0.33 -0.02 0.00 0.36 0.00 0.00 54.97 55.06 2kgk s GLU 141 Cb -0.14 -2.90 -0.03 0.00 0.26 0.00 0.00 34.13 31.31 2kgk s GLU 141 CO -0.15 0.72 0.02 0.15 -0.54 0.00 0.00 175.26 175.46 2kgk s LYS 142 N -0.90 3.00 0.01 4.30 3.01 -1.26 0.16 119.74 128.06 2kgk s LYS 142 Ca 0.14 -0.42 0.00 0.00 -1.01 0.00 0.00 55.97 54.67 2kgk s LYS 142 Cb -0.12 -2.81 0.00 0.00 -1.01 0.00 0.00 37.83 33.90 2kgk s LYS 142 CO 0.03 0.69 0.02 0.41 0.51 0.00 0.00 175.35 177.01 2kgk n GLY 143 N 1.91 1.66 3.64 -3.33 0.00 0.28 -4.91 105.19 104.45 2kgk n GLY 143 Ca -0.17 -2.09 -0.10 0.00 0.00 0.00 0.00 46.02 43.66 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 0.31 0.56 0.99 2.96 -1.26 -4.62 118.68 117.63 2kgk s LEU 144 Ca 0.01 -1.02 -0.03 0.00 -0.22 0.00 0.00 54.13 52.88 2kgk s LEU 144 Cb -0.00 2.02 0.02 0.00 0.50 0.00 0.00 46.19 48.73 2kgk s LEU 144 CO 0.01 -1.29 0.83 0.28 -1.32 0.00 0.00 176.35 174.86 2kgk s THR 145 N -3.55 3.31 0.29 3.68 -1.32 -1.17 -4.61 115.64 112.27 2kgk s THR 145 Ca 0.21 -0.33 -0.19 0.00 -1.21 0.00 0.00 61.69 60.17 2kgk s THR 145 Cb -0.02 -3.29 0.06 0.00 -1.51 0.00 0.00 72.50 67.75 2kgk s THR 145 CO 0.11 -0.25 0.91 -0.62 -2.21 0.00 0.00 174.62 172.56 2kgk s ASP 146 N -4.34 -0.00 0.02 8.08 2.15 -0.25 -4.92 116.67 117.40 2kgk s ASP 146 Ca 0.54 -0.91 -0.21 0.00 0.43 0.00 0.00 52.55 52.40 2kgk s ASP 146 Cb -0.10 0.68 -0.17 0.00 -0.30 0.00 0.00 42.92 43.03 2kgk s ASP 146 CO 0.41 -1.36 1.26 -0.08 -0.17 0.00 0.00 175.17 175.24 2kgk h GLU 147 N 2.00 0.34 0.00 4.34 4.57 -1.99 -1.47 114.58 122.37 2kgk h GLU 147 Ca -0.30 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 57.64 2kgk h GLU 147 Cb 1.23 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.85 2kgk h GLU 147 CO 0.38 0.83 -0.06 0.87 -1.18 0.00 0.00 179.01 179.84 2kgk h LYS 148 N -0.09 0.00 -1.64 1.92 6.56 -2.03 -3.37 116.57 117.92 2kgk h LYS 148 Ca 0.00 0.00 -0.25 0.00 -1.06 0.00 0.00 60.65 59.34 2kgk h LYS 148 Cb 0.82 0.00 -0.27 0.00 -0.57 0.00 0.00 32.23 32.21 2kgk h LYS 148 CO 0.05 0.06 -0.59 -0.80 -2.06 0.00 0.00 179.45 176.11 2kgk s ASN 149 N -5.82 0.27 -1.34 0.86 -0.87 -1.14 -5.01 114.94 101.88 2kgk s ASN 149 Ca -0.02 -1.14 -0.13 0.00 -1.57 0.00 0.00 52.86 50.00 2kgk s ASN 149 Cb 0.12 1.05 -0.04 0.00 -0.02 0.00 0.00 41.25 42.36 2kgk s ASN 149 CO 0.53 -0.25 2.39 -0.81 -2.57 0.00 0.00 177.10 176.40 2kgk n PRO 150 N 4.50 2.81 -3.69 -0.60 -0.04 -0.57 -1.09 135.00 136.32 2kgk n PRO 150 Ca 0.09 -2.23 -0.10 0.00 -0.04 0.00 0.00 63.50 61.22 2kgk n PRO 150 Cb 0.49 -2.99 -0.05 0.00 -0.04 0.00 0.00 33.50 30.91 2kgk n PRO 150 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2kgk s TYR 151 N 3.19 -0.12 -0.05 0.54 2.02 -1.26 -4.91 117.35 116.76 2kgk s TYR 151 Ca 0.55 -0.23 0.06 0.00 -0.37 0.00 0.00 57.07 57.08 2kgk s TYR 151 Cb 0.15 0.19 -0.01 0.00 -0.40 0.00 0.00 41.96 41.88 2kgk s TYR 151 CO -0.04 -0.67 -0.24 0.99 -1.57 0.00 0.00 175.55 174.02 2kgk s THR 152 N -3.82 1.95 0.17 -0.71 2.01 -1.26 -3.04 115.64 110.94 2kgk s THR 152 Ca 0.04 -1.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.00 2kgk s THR 152 Cb 0.02 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 2kgk s THR 152 CO -0.12 0.54 0.12 -0.72 -0.69 0.00 0.00 174.62 173.76 2kgk s TYR 153 N -0.18 0.92 0.01 4.92 -0.85 -1.26 -2.29 117.35 118.62 2kgk s TYR 153 Ca -0.02 -1.23 0.03 0.00 -0.52 0.00 0.00 57.07 55.33 2kgk s TYR 153 Cb -0.13 -0.45 -0.01 0.00 0.38 0.00 0.00 41.96 41.75 2kgk s TYR 153 CO 0.03 -0.60 -0.10 0.71 -1.52 0.00 0.00 175.55 174.06 2kgk s TYR 154 N -4.08 0.90 0.15 -3.49 2.02 -0.70 -0.55 117.35 111.59 2kgk s TYR 154 Ca 0.29 -0.24 0.01 0.00 -0.37 0.00 0.00 57.07 56.76 2kgk s TYR 154 Cb 0.07 -0.56 -0.04 0.00 -0.40 0.00 0.00 41.96 41.03 2kgk s TYR 154 CO 0.06 -0.01 0.31 -0.47 -1.57 0.00 0.00 175.55 173.87 2kgk s TYR 155 N -0.51 3.49 -0.02 2.71 6.14 0.43 -1.83 117.35 127.77 2kgk s TYR 155 Ca 0.01 0.24 0.00 0.00 0.64 0.00 0.00 57.07 57.96 2kgk s TYR 155 Cb -0.05 -1.76 0.02 0.00 0.42 0.00 0.00 41.96 40.59 2kgk s TYR 155 CO 0.00 0.48 0.02 -1.01 0.64 0.00 0.00 175.55 175.68 2kgk s HIS 156 N -1.74 0.07 -0.19 4.97 3.76 0.35 -3.11 115.29 119.41 2kgk s HIS 156 Ca 0.36 0.08 -0.01 0.00 -0.15 0.00 0.00 55.06 55.34 2kgk s HIS 156 Cb -0.11 -0.22 0.01 0.00 1.11 0.00 0.00 32.58 33.37 2kgk s HIS 156 CO 0.28 -0.07 -0.14 0.08 -0.85 0.00 0.00 174.74 174.04 2kgk s VAL 157 N 0.82 2.62 0.01 -0.90 1.01 -0.28 -1.89 120.40 121.79 2kgk s VAL 157 Ca -0.07 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.23 2kgk s VAL 157 Cb -0.10 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 2kgk s VAL 157 CO -0.02 0.49 -0.24 -0.31 0.00 0.00 0.00 175.10 175.03 2kgk s TYR 158 N 1.28 2.41 -0.01 5.22 2.02 0.16 -1.85 117.35 126.57 2kgk s TYR 158 Ca 0.04 -0.37 0.05 0.00 -0.37 0.00 0.00 57.07 56.42 2kgk s TYR 158 Cb -0.14 -1.46 -0.01 0.00 -0.40 0.00 0.00 41.96 39.95 2kgk s TYR 158 CO -0.07 0.10 -0.17 -1.21 -1.57 0.00 0.00 175.55 172.63 2kgk s GLU 159 N -1.03 1.41 0.00 -0.62 0.41 0.30 -0.85 118.70 118.32 2kgk s GLU 159 Ca 0.12 -0.62 0.00 0.00 -0.41 0.00 0.00 54.97 54.05 2kgk s GLU 159 Cb -0.10 -1.37 0.00 0.00 -1.78 0.00 0.00 34.13 30.88 2kgk s GLU 159 CO 0.02 0.37 0.15 1.17 -0.49 0.00 0.00 175.26 176.48 2kgk n LYS 160 N 2.65 0.00 -2.97 1.61 0.00 -0.44 -3.21 118.16 115.81 2kgk n LYS 160 Ca -0.15 0.49 -0.06 0.00 0.00 0.00 0.00 58.31 58.59 2kgk n LYS 160 Cb 0.54 -1.07 -0.01 0.00 0.00 0.00 0.00 35.03 34.49 2kgk n LYS 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kgk n GLN 161 N -1.96 -0.98 -0.56 1.64 -0.00 -1.26 -4.84 117.38 109.42 2kgk n GLN 161 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 57.00 56.95 2kgk n GLN 161 Cb 0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 30.24 29.75 2kgk n GLN 161 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10