#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 3.46 -0.31 1.12 1.01 -0.63 -4.89 121.20 120.96 2kgk s ILE 2 Ca 0.00 -1.12 -0.04 0.00 0.00 0.00 0.00 60.65 59.49 2kgk s ILE 2 Cb 0.00 -2.91 0.04 0.00 0.01 0.00 0.00 42.46 39.60 2kgk s ILE 2 CO 0.00 -0.06 0.03 -0.69 0.00 0.00 0.00 174.94 174.22 2kgk s VAL 3 N 1.36 3.33 0.17 2.92 1.01 -1.26 -2.57 120.40 125.37 2kgk s VAL 3 Ca -0.02 -1.19 -0.02 0.00 0.00 0.00 0.00 61.98 60.75 2kgk s VAL 3 Cb -0.19 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 2kgk s VAL 3 CO 0.01 -0.08 0.38 -0.44 0.00 0.00 0.00 175.10 174.97 2kgk s SER 4 N 1.34 6.42 -0.22 3.32 0.01 -1.03 0.08 113.70 123.62 2kgk s SER 4 Ca -0.03 0.46 0.02 0.00 1.31 0.00 0.00 55.95 57.71 2kgk s SER 4 Cb -0.19 -2.03 0.04 0.00 0.21 0.00 0.00 66.02 64.05 2kgk s SER 4 CO 0.00 -0.00 -0.14 -0.36 0.41 0.00 0.00 173.24 173.15 2kgk s PHE 5 N -1.78 2.88 -0.74 2.43 0.40 0.75 -1.58 117.98 120.34 2kgk s PHE 5 Ca 0.39 -1.91 -0.08 0.00 -0.60 0.00 0.00 56.93 54.73 2kgk s PHE 5 Cb -0.11 -1.85 0.19 0.00 0.51 0.00 0.00 43.02 41.76 2kgk s PHE 5 CO 0.28 -0.82 0.63 -1.64 0.70 0.00 0.00 175.22 174.36 2kgk s MET 6 N 1.24 3.13 0.05 0.44 -1.94 -1.10 -0.35 119.30 120.78 2kgk s MET 6 Ca -0.02 -2.54 0.06 0.00 -1.71 0.00 0.00 55.69 51.48 2kgk s MET 6 Cb -0.17 -4.10 -0.03 0.00 2.01 0.00 0.00 34.83 32.55 2kgk s MET 6 CO -0.08 -1.24 -0.17 0.54 -0.01 0.00 0.00 175.02 174.06 2kgk s VAL 7 N -0.03 1.38 0.08 -6.03 0.11 -0.90 -4.77 120.40 110.23 2kgk s VAL 7 Ca 0.18 -1.19 -0.08 0.00 -2.93 0.00 0.00 61.98 57.96 2kgk s VAL 7 Cb -0.15 -1.24 -0.05 0.00 -1.53 0.00 0.00 36.38 33.41 2kgk s VAL 7 CO -0.06 0.03 0.37 0.00 -3.33 0.00 0.00 175.10 172.10 2kgk s ALA 8 N -0.93 3.77 -0.22 1.54 0.00 -1.26 -2.72 121.76 121.93 2kgk s ALA 8 Ca 0.04 -0.46 -0.03 0.00 0.00 0.00 0.00 51.96 51.51 2kgk s ALA 8 Cb -0.09 -2.20 -0.00 0.00 0.00 0.00 0.00 23.12 20.83 2kgk s ALA 8 CO 0.02 0.60 -0.06 1.41 0.00 0.00 0.00 175.76 177.74 2kgk s MET 9 N -2.02 3.29 -0.12 0.00 0.00 -0.76 -3.92 119.30 115.77 2kgk s MET 9 Ca 0.33 -0.68 -0.14 0.00 0.00 0.00 0.00 55.69 55.20 2kgk s MET 9 Cb -0.13 -2.97 -0.05 0.00 0.00 0.00 0.00 34.83 31.68 2kgk s MET 9 CO 0.19 -0.22 0.35 -0.51 0.00 0.00 0.00 175.02 174.83 2kgk s ASP 10 N 1.45 6.56 0.50 1.11 1.01 -0.97 -1.84 116.67 124.50 2kgk s ASP 10 Ca 0.05 0.67 0.15 0.00 0.71 0.00 0.00 52.55 54.13 2kgk s ASP 10 Cb -0.14 -2.21 1.21 0.00 1.01 0.00 0.00 42.92 42.79 2kgk s ASP 10 CO -0.04 0.14 2.12 1.05 0.21 0.00 0.00 175.17 178.66 2kgk h GLU 11 N 6.17 0.04 -0.05 8.23 4.11 -1.78 -2.48 114.58 128.81 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 1.18 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2kgk h GLU 11 CO 0.72 0.05 0.00 0.09 0.07 0.00 0.00 179.01 179.93 2kgk n ASN 12 N -4.51 1.74 0.00 3.06 3.02 -1.26 -5.02 115.26 112.29 2kgk n ASN 12 Ca -0.03 -1.45 0.00 0.00 -0.03 0.00 0.00 54.58 53.07 2kgk n ASN 12 Cb 0.11 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 2kgk n ASN 12 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2kgk n ARG 13 N 0.20 0.00 0.00 3.52 3.00 -0.93 -4.86 116.66 117.59 2kgk n ARG 13 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 2kgk n ARG 13 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.65 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 0.00 5.15 3.14 -0.52 -2.62 118.33 123.48 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 -1.90 0.00 -3.42 1.55 -5.35 -1.19 -2.28 119.36 106.77 2kgk n ILE 15 Ca 0.00 0.00 -0.44 0.00 -0.27 0.00 0.00 62.75 62.04 2kgk n ILE 15 Cb 0.00 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 37.85 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 -2.04 2.33 -0.01 3.28 0.00 -1.23 -3.50 107.32 106.16 2kgk s GLY 16 Ca 0.00 -2.90 -0.02 0.00 0.00 0.00 0.00 44.72 41.80 2kgk s GLY 16 CO 0.00 1.19 0.81 0.07 0.00 0.00 0.00 173.10 175.17 2kgk h LYS 17 N 8.18 0.23 -0.91 2.90 2.10 -1.67 0.59 116.57 127.99 2kgk h LYS 17 Ca -0.10 -0.40 -0.35 0.00 -2.00 0.00 0.00 60.65 57.80 2kgk h LYS 17 Cb 1.06 0.15 -0.28 0.00 -0.90 0.00 0.00 32.23 32.25 2kgk h LYS 17 CO 0.86 1.08 -0.83 -3.47 -2.00 0.00 0.00 179.45 175.09 2kgk n ASP 18 N -3.43 -0.54 0.00 7.07 2.03 -1.26 -2.27 116.55 118.15 2kgk n ASP 18 Ca -0.17 -3.14 0.00 0.00 0.52 0.00 0.00 54.79 51.99 2kgk n ASP 18 Cb 1.04 0.49 0.00 0.00 -0.72 0.00 0.00 41.12 41.94 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 0.15 0.00 -3.81 1.67 3.02 -1.26 -4.90 115.26 110.12 2kgk n ASN 19 Ca 0.13 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.55 2kgk n ASN 19 Cb 0.72 -0.01 -0.07 0.00 -0.61 0.00 0.00 39.78 39.82 2kgk n ASN 19 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kgk s ASN 20 N -1.80 0.40 0.19 6.41 4.22 -1.26 -4.52 114.94 118.57 2kgk s ASN 20 Ca 0.00 -1.29 -0.10 0.00 -2.14 0.00 0.00 52.86 49.32 2kgk s ASN 20 Cb 0.00 0.54 -0.07 0.00 1.28 0.00 0.00 41.25 43.00 2kgk s ASN 20 CO 0.00 -1.08 0.52 -1.48 -2.04 0.00 0.00 177.10 173.03 2kgk s LEU 21 N -3.15 4.23 0.31 3.54 2.34 -1.23 -1.95 118.68 122.77 2kgk s LEU 21 Ca 0.32 0.92 -0.29 0.00 0.06 0.00 0.00 54.13 55.13 2kgk s LEU 21 Cb 0.02 -3.50 -0.10 0.00 -0.56 0.00 0.00 46.19 42.04 2kgk s LEU 21 CO 0.14 -0.00 1.41 -2.16 -1.06 0.00 0.00 176.35 174.68 2kgk s PRO 22 N -2.54 4.26 0.91 1.48 0.04 -1.26 -4.99 135.00 132.90 2kgk s PRO 22 Ca 0.44 2.34 -0.12 0.00 0.04 0.00 0.00 61.00 63.69 2kgk s PRO 22 Cb -0.12 -3.06 0.14 0.00 0.04 0.00 0.00 34.50 31.49 2kgk s PRO 22 CO 0.21 -0.37 1.14 -1.58 0.04 0.00 0.00 177.00 176.44 2kgk s TRP 23 N -0.65 2.51 -0.35 0.56 0.51 -1.26 -5.07 118.94 115.19 2kgk s TRP 23 Ca 0.54 0.86 0.04 0.00 -2.12 0.00 0.00 56.10 55.42 2kgk s TRP 23 Cb -0.42 -3.38 0.16 0.00 -0.81 0.00 0.00 33.47 29.02 2kgk s TRP 23 CO 0.51 -2.36 0.44 0.50 -0.51 0.00 0.00 176.95 175.52 2kgk s ARG 24 N -5.27 0.61 -0.23 4.98 3.52 -1.26 -5.03 118.95 116.27 2kgk s ARG 24 Ca 0.64 -0.44 -0.02 0.00 -0.13 0.00 0.00 55.73 55.77 2kgk s ARG 24 Cb -0.15 -0.43 0.01 0.00 -1.56 0.00 0.00 34.95 32.82 2kgk s ARG 24 CO 0.53 -1.15 0.05 1.28 -0.81 0.00 0.00 175.30 175.20 2kgk n LEU 25 N 4.62 -6.89 0.23 -0.88 7.99 -1.26 -4.55 117.00 116.25 2kgk n LEU 25 Ca 0.08 1.43 0.13 0.00 -0.01 0.00 0.00 56.01 57.64 2kgk n LEU 25 Cb 0.49 -3.01 0.74 0.00 -0.11 0.00 0.00 43.42 41.53 2kgk n LEU 25 CO 0.04 -3.11 1.11 1.55 -1.51 0.00 0.00 177.39 175.47 2kgk h PRO 26 N 3.43 0.00 -0.68 3.23 0.13 -1.96 -1.39 132.00 134.76 2kgk h PRO 26 Ca -0.11 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.99 2kgk h PRO 26 Cb 0.39 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.49 2kgk h PRO 26 CO 0.06 0.00 0.30 1.03 -0.23 0.00 0.00 178.00 179.16 2kgk h SER 27 N 0.00 0.91 -0.39 1.44 0.87 -2.00 -2.16 113.55 112.23 2kgk h SER 27 Ca 0.04 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.42 2kgk h SER 27 Cb 0.19 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 2kgk h SER 27 CO -0.00 0.81 0.14 -0.08 -0.53 0.00 0.00 176.83 177.17 2kgk h GLU 28 N 0.96 0.59 -0.68 2.24 4.22 -1.53 -1.43 114.58 118.95 2kgk h GLU 28 Ca 0.23 -0.12 0.17 0.00 0.08 0.00 0.00 59.36 59.72 2kgk h GLU 28 Cb 0.16 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 2kgk h GLU 28 CO -0.02 0.58 0.47 1.25 -2.18 0.00 0.00 179.01 179.11 2kgk h LEU 29 N 0.48 0.16 0.05 1.64 5.85 -1.21 0.28 115.31 122.56 2kgk h LEU 29 Ca 0.13 0.01 -0.26 0.00 0.84 0.00 0.00 57.88 58.59 2kgk h LEU 29 Cb 0.22 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.24 2kgk h LEU 29 CO -0.01 0.08 -1.17 1.56 -0.34 0.00 0.00 178.44 178.56 2kgk h GLN 30 N 0.17 0.32 -0.09 1.25 4.20 -0.70 -2.71 115.11 117.56 2kgk h GLN 30 Ca 0.33 -0.48 -0.18 0.00 0.06 0.00 0.00 58.65 58.38 2kgk h GLN 30 Cb 1.06 0.17 0.01 0.00 0.30 0.00 0.00 27.48 29.01 2kgk h GLN 30 CO -0.05 1.20 -0.66 1.88 -0.67 0.00 0.00 178.83 180.52 2kgk h TYR 31 N 0.12 0.83 -0.21 2.96 0.05 0.11 -1.62 116.97 119.21 2kgk h TYR 31 Ca -0.12 -0.39 -0.05 0.00 0.05 0.00 0.00 58.73 58.22 2kgk h TYR 31 Cb 1.87 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 39.49 2kgk h TYR 31 CO 0.07 1.20 -0.06 -0.24 -1.05 0.00 0.00 178.16 178.07 2kgk h VAL 32 N 0.23 1.29 -0.07 -2.88 3.04 -0.68 -2.44 116.25 114.74 2kgk h VAL 32 Ca -0.06 -1.06 -0.10 0.00 -1.01 0.00 0.00 66.70 64.47 2kgk h VAL 32 Cb 1.31 1.56 -0.01 0.00 -2.01 0.00 0.00 31.29 32.14 2kgk h VAL 32 CO 0.13 0.32 -0.43 0.07 -1.01 0.00 0.00 177.57 176.66 2kgk h LYS 33 N 0.12 0.16 -0.59 4.17 5.09 -1.57 0.15 116.57 124.10 2kgk h LYS 33 Ca 0.05 -0.08 -0.08 0.00 0.09 0.00 0.00 60.65 60.63 2kgk h LYS 33 Cb 0.52 -0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.82 2kgk h LYS 33 CO 0.02 0.57 0.05 -0.22 -2.09 0.00 0.00 179.45 177.79 2kgk h LYS 34 N 0.14 1.00 0.00 0.07 3.64 -1.20 2.60 116.57 122.83 2kgk h LYS 34 Ca 0.01 -0.29 -0.15 0.00 -1.27 0.00 0.00 60.65 58.95 2kgk h LYS 34 Cb 0.82 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 2kgk h LYS 34 CO 0.06 0.97 -1.03 0.00 -2.27 0.00 0.00 179.45 177.18 2kgk h THR 35 N 0.90 0.78 -0.03 1.00 1.03 -1.31 -3.28 112.91 112.01 2kgk h THR 35 Ca 0.17 -2.26 0.00 0.00 -0.01 0.00 0.00 66.41 64.32 2kgk h THR 35 Cb 0.48 2.28 0.00 0.00 -1.07 0.00 0.00 68.15 69.84 2kgk h THR 35 CO 0.02 0.44 -0.11 0.35 -0.01 0.00 0.00 175.52 176.21 2kgk n THR 36 N -3.07 0.00 -0.81 0.00 -2.24 0.52 -5.01 114.28 103.66 2kgk n THR 36 Ca -0.04 -0.44 -0.29 0.00 -2.27 0.00 0.00 64.05 61.00 2kgk n THR 36 Cb 0.82 1.42 -0.03 0.00 -2.10 0.00 0.00 70.33 70.44 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 1.01 0.00 0.00 -0.78 0.00 0.87 -4.27 117.12 113.95 2kgk n MET 37 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.83 2kgk n MET 37 Cb 0.56 -0.66 0.00 0.00 0.00 0.00 0.00 33.22 33.12 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 1.04 0.78 1.58 3.17 0.00 0.37 -4.96 105.19 107.17 2kgk n GLY 38 Ca 0.11 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2kgk n GLY 38 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kgk n HIS 39 N 4.48 -4.05 -2.51 1.61 8.25 -1.26 -3.89 115.22 117.85 2kgk n HIS 39 Ca 0.00 2.19 -0.43 0.00 -0.26 0.00 0.00 57.72 59.22 2kgk n HIS 39 Cb 0.00 -3.37 -0.02 0.00 1.12 0.00 0.00 29.99 27.72 2kgk n HIS 39 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2kgk s PRO 40 N -5.10 4.27 -0.26 -0.41 0.04 -1.26 -3.36 135.00 128.92 2kgk s PRO 40 Ca 0.00 1.57 0.03 0.00 0.04 0.00 0.00 61.00 62.64 2kgk s PRO 40 Cb 0.00 -3.68 0.06 0.00 0.04 0.00 0.00 34.50 30.92 2kgk s PRO 40 CO 0.00 -0.61 -0.09 -1.17 0.04 0.00 0.00 177.00 175.17 2kgk s LEU 41 N 3.09 3.38 -0.08 -3.56 0.20 -0.73 -2.60 118.68 118.39 2kgk s LEU 41 Ca 0.52 -1.42 -0.22 0.00 0.69 0.00 0.00 54.13 53.70 2kgk s LEU 41 Cb -0.20 -1.49 -0.04 0.00 -0.43 0.00 0.00 46.19 44.03 2kgk s LEU 41 CO 0.14 -0.21 0.63 -0.63 -0.29 0.00 0.00 176.35 175.99 2kgk s ILE 42 N 1.14 5.08 0.13 6.68 1.09 -0.65 -0.24 121.20 134.43 2kgk s ILE 42 Ca -0.07 1.30 0.01 0.00 -1.10 0.00 0.00 60.65 60.79 2kgk s ILE 42 Cb -0.20 -3.97 -0.04 0.00 -1.06 0.00 0.00 42.46 37.19 2kgk s ILE 42 CO -0.06 0.28 -0.01 -0.04 -0.10 0.00 0.00 174.94 175.02 2kgk s MET 43 N 0.70 0.95 0.36 2.79 -1.94 -0.90 0.16 119.30 121.41 2kgk s MET 43 Ca 0.34 -1.43 -0.21 0.00 -1.71 0.00 0.00 55.69 52.68 2kgk s MET 43 Cb -0.17 -0.10 -0.10 0.00 2.01 0.00 0.00 34.83 36.47 2kgk s MET 43 CO 0.16 -0.12 0.89 0.20 -0.01 0.00 0.00 175.02 176.13 2kgk s GLY 44 N -3.09 2.53 0.07 -0.03 0.00 -0.39 -2.31 107.32 104.10 2kgk s GLY 44 Ca 0.19 0.35 -0.35 0.00 0.00 0.00 0.00 44.72 44.91 2kgk s GLY 44 CO -0.00 0.68 1.60 -0.09 0.00 0.00 0.00 173.10 175.29 2kgk h ARG 45 N 2.51 -1.02 -0.01 2.90 2.43 -1.89 -0.05 114.38 119.25 2kgk h ARG 45 Ca -0.48 0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 58.76 2kgk h ARG 45 Cb 1.18 0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.97 2kgk h ARG 45 CO 0.63 -0.68 -0.01 -0.22 -1.51 0.00 0.00 179.97 178.18 2kgk h LYS 46 N -1.06 0.01 0.70 0.20 1.63 -1.94 0.20 116.57 116.31 2kgk h LYS 46 Ca -0.10 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.66 2kgk h LYS 46 Cb 0.83 -0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.46 2kgk h LYS 46 CO 0.15 0.03 -0.34 -0.97 -3.45 0.00 0.00 179.45 174.87 2kgk h ASN 47 N 0.01 -0.80 -1.00 4.20 -1.24 -1.74 -2.47 115.58 112.54 2kgk h ASN 47 Ca 0.00 0.03 0.05 0.00 0.71 0.00 0.00 56.30 57.09 2kgk h ASN 47 Cb 0.03 0.21 -0.06 0.00 0.73 0.00 0.00 38.32 39.23 2kgk h ASN 47 CO 0.00 -0.50 0.65 0.22 -1.29 0.00 0.00 177.43 176.51 2kgk h TYR 48 N -1.08 1.21 -0.33 0.67 5.03 -0.80 0.30 116.97 121.97 2kgk h TYR 48 Ca -0.10 0.03 0.07 0.00 2.58 0.00 0.00 58.73 61.32 2kgk h TYR 48 Cb 0.72 -0.40 -0.08 0.00 1.55 0.00 0.00 36.73 38.52 2kgk h TYR 48 CO 0.03 0.66 -0.26 0.93 -1.32 0.00 0.00 178.16 178.20 2kgk h GLU 49 N 1.21 -0.22 0.04 1.82 4.39 -0.90 0.98 114.58 121.90 2kgk h GLU 49 Ca 0.41 0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.95 2kgk h GLU 49 Cb 0.09 0.05 0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2kgk h GLU 49 CO -0.15 -0.15 -0.74 0.00 -1.16 0.00 0.00 179.01 176.82 2kgk h ALA 50 N 0.86 0.03 -0.03 3.43 0.00 -1.04 -3.22 119.26 119.29 2kgk h ALA 50 Ca 0.16 -0.62 0.01 0.00 0.00 0.00 0.00 54.91 54.46 2kgk h ALA 50 Cb 0.49 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2kgk h ALA 50 CO -0.46 0.41 0.03 0.82 0.00 0.00 0.00 179.25 180.05 2kgk h ILE 51 N -0.10 0.67 0.00 0.00 5.03 -0.07 -3.47 117.51 119.57 2kgk h ILE 51 Ca -0.10 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.64 2kgk h ILE 51 Cb 1.47 0.98 0.00 0.00 -3.03 0.00 0.00 36.82 36.24 2kgk h ILE 51 CO 0.14 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.22 2kgk n GLY 52 N -1.40 1.03 2.90 5.37 0.00 0.34 -4.91 105.19 108.51 2kgk n GLY 52 Ca -0.02 -0.52 -0.01 0.00 0.00 0.00 0.00 46.02 45.47 2kgk n GLY 52 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kgk n ARG 53 N 3.49 -2.35 -2.98 1.61 3.00 -1.26 -4.95 116.66 113.23 2kgk n ARG 53 Ca 0.00 2.05 -0.33 0.00 -0.00 0.00 0.00 57.85 59.57 2kgk n ARG 53 Cb 0.00 -3.34 -0.07 0.00 0.00 0.00 0.00 32.46 29.05 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 -1.08 4.14 -0.36 -0.14 0.04 -1.26 -5.06 135.00 131.27 2kgk s PRO 54 Ca -0.04 0.90 0.01 0.00 0.04 0.00 0.00 61.00 61.91 2kgk s PRO 54 Cb 0.00 -2.35 0.11 0.00 0.04 0.00 0.00 34.50 32.31 2kgk s PRO 54 CO 0.44 0.09 0.14 -1.17 0.04 0.00 0.00 177.00 176.53 2kgk s LEU 55 N -3.00 2.71 0.00 -3.56 0.20 -1.26 -4.97 118.68 108.80 2kgk s LEU 55 Ca 0.57 -2.07 0.00 0.00 0.69 0.00 0.00 54.13 53.33 2kgk s LEU 55 Cb -0.10 -1.02 0.00 0.00 -0.43 0.00 0.00 46.19 44.64 2kgk s LEU 55 CO 0.16 -0.36 0.40 -0.81 -0.29 0.00 0.00 176.35 175.45 2kgk n PRO 56 N 4.30 0.76 -0.00 0.98 -0.04 -1.26 -2.38 135.00 137.36 2kgk n PRO 56 Ca 0.03 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.52 2kgk n PRO 56 Cb 0.39 -1.37 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.14 0.16 2.86 0.55 0.00 -1.26 -4.92 105.19 102.72 2kgk n GLY 57 Ca 0.00 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 2kgk n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kgk s ARG 58 N -1.88 1.27 -0.94 1.61 0.52 -1.00 0.14 118.95 118.67 2kgk s ARG 58 Ca 0.02 -0.58 -0.24 0.00 -0.52 0.00 0.00 55.73 54.41 2kgk s ARG 58 Cb 0.05 -2.12 -0.20 0.00 0.52 0.00 0.00 34.95 33.20 2kgk s ARG 58 CO 0.30 -0.51 2.07 0.54 0.02 0.00 0.00 175.30 177.73 2kgk n ARG 59 N 4.88 0.16 -3.17 3.54 1.74 -1.21 -4.87 116.66 117.73 2kgk n ARG 59 Ca -0.11 -1.37 -0.40 0.00 -0.77 0.00 0.00 57.85 55.20 2kgk n ARG 59 Cb 0.47 -3.59 -0.06 0.00 -1.02 0.00 0.00 32.46 28.26 2kgk n ARG 59 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2kgk s ASN 60 N 8.05 6.65 -0.21 0.55 0.01 -1.26 -1.77 114.94 126.97 2kgk s ASN 60 Ca 0.78 0.79 -0.01 0.00 -0.71 0.00 0.00 52.86 53.70 2kgk s ASN 60 Cb -0.08 -2.33 0.01 0.00 0.41 0.00 0.00 41.25 39.26 2kgk s ASN 60 CO 0.16 -0.22 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.78 2kgk s ILE 61 N 1.73 2.74 0.09 0.60 1.09 0.67 -1.41 121.20 126.71 2kgk s ILE 61 Ca 0.27 -0.74 -0.20 0.00 -1.10 0.00 0.00 60.65 58.88 2kgk s ILE 61 Cb -0.16 -2.23 -0.07 0.00 -1.06 0.00 0.00 42.46 38.95 2kgk s ILE 61 CO 0.10 0.45 0.59 0.27 -0.10 0.00 0.00 174.94 176.25 2kgk s ILE 62 N 1.38 4.71 -0.19 2.92 -4.36 0.10 -2.13 121.20 123.63 2kgk s ILE 62 Ca 0.05 1.25 -0.18 0.00 -0.26 0.00 0.00 60.65 61.51 2kgk s ILE 62 Cb -0.14 -3.91 -0.03 0.00 1.25 0.00 0.00 42.46 39.62 2kgk s ILE 62 CO -0.08 0.54 0.49 -0.69 0.24 0.00 0.00 174.94 175.44 2kgk s VAL 63 N -1.13 5.14 -0.23 8.37 1.01 -0.98 -1.22 120.40 131.36 2kgk s VAL 63 Ca 0.30 0.90 -0.26 0.00 0.00 0.00 0.00 61.98 62.91 2kgk s VAL 63 Cb -0.20 -3.81 0.07 0.00 0.00 0.00 0.00 36.38 32.44 2kgk s VAL 63 CO 0.20 0.21 0.73 0.28 0.00 0.00 0.00 175.10 176.52 2kgk s THR 64 N 1.44 0.00 -0.54 3.92 -1.32 -1.01 -4.02 115.64 114.10 2kgk s THR 64 Ca 0.23 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.54 2kgk s THR 64 Cb -0.15 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 69.95 2kgk s THR 64 CO 0.09 0.00 0.54 0.00 -2.21 0.00 0.00 174.62 173.04 2kgk s ARG 65 N 0.06 3.01 -0.31 7.08 1.70 -1.26 -4.28 118.95 124.94 2kgk s ARG 65 Ca -0.02 -1.55 -0.09 0.00 -0.47 0.00 0.00 55.73 53.60 2kgk s ARG 65 Cb -0.04 -4.26 0.19 0.00 -0.57 0.00 0.00 34.95 30.26 2kgk s ARG 65 CO 0.02 -1.33 1.01 0.54 -1.08 0.00 0.00 175.30 174.46 2kgk s ASN 66 N 3.44 -0.49 -0.17 -2.89 2.20 -1.26 -5.10 114.94 110.66 2kgk s ASN 66 Ca 0.05 -0.02 -0.29 0.00 -0.94 0.00 0.00 52.86 51.67 2kgk s ASN 66 Cb -0.28 1.14 -0.05 0.00 -2.00 0.00 0.00 41.25 40.07 2kgk s ASN 66 CO 0.05 -0.08 1.96 -1.83 -2.94 0.00 0.00 177.10 174.25 2kgk s GLU 67 N 2.70 3.55 0.00 3.55 4.04 -1.26 -1.89 118.70 129.39 2kgk s GLU 67 Ca 0.24 2.00 0.00 0.00 0.04 0.00 0.00 54.97 57.24 2kgk s GLU 67 Cb -0.01 -4.22 0.00 0.00 0.02 0.00 0.00 34.13 29.92 2kgk s GLU 67 CO -0.21 -1.61 0.00 0.41 -1.84 0.00 0.00 175.26 172.01 2kgk n GLY 68 N 5.16 1.28 3.85 -3.83 0.00 -1.26 -5.11 105.19 105.29 2kgk n GLY 68 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 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 3.59 -0.18 1.61 5.04 -0.79 -5.08 117.35 119.54 2kgk s TYR 69 Ca 0.00 0.99 -0.07 0.00 -2.44 0.00 0.00 57.07 55.54 2kgk s TYR 69 Cb 0.00 -2.31 0.08 0.00 0.35 0.00 0.00 41.96 40.07 2kgk s TYR 69 CO 0.00 0.44 0.40 -1.58 -1.34 0.00 0.00 175.55 173.47 2kgk s HIS 70 N -1.47 -0.69 -0.32 4.97 2.46 -1.26 -4.89 115.29 114.09 2kgk s HIS 70 Ca 0.37 1.38 -0.03 0.00 0.47 0.00 0.00 55.06 57.25 2kgk s HIS 70 Cb -0.15 0.25 0.05 0.00 -0.13 0.00 0.00 32.58 32.61 2kgk s HIS 70 CO 0.19 -0.42 0.05 0.08 -2.47 0.00 0.00 174.74 172.17 2kgk s VAL 71 N 2.16 3.27 0.05 0.89 1.01 -1.26 -5.07 120.40 121.45 2kgk s VAL 71 Ca -0.04 -1.36 -0.33 0.00 0.00 0.00 0.00 61.98 60.24 2kgk s VAL 71 Cb -0.11 -2.90 -0.12 0.00 0.00 0.00 0.00 36.38 33.24 2kgk s VAL 71 CO -0.12 -0.18 1.76 -1.84 0.00 0.00 0.00 175.10 174.71 2kgk n GLU 72 N 4.68 2.29 0.00 2.72 0.28 -1.26 -1.62 120.64 127.73 2kgk n GLU 72 Ca -0.12 0.83 0.00 0.00 -0.16 0.00 0.00 57.16 57.71 2kgk n GLU 72 Cb 0.44 -2.66 0.00 0.00 1.43 0.00 0.00 31.44 30.65 2kgk n GLU 72 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kgk n GLY 73 N 3.99 3.08 3.61 -1.84 0.00 -1.26 -5.02 105.19 107.74 2kgk n GLY 73 Ca 0.20 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.19 3.93 0.06 0.00 0.41 -0.50 -4.14 118.70 116.27 2kgk s GLU 75 Ca 0.22 0.51 -0.00 0.00 -0.41 0.00 0.00 54.97 55.30 2kgk s GLU 75 Cb -0.11 -2.52 -0.04 0.00 -1.78 0.00 0.00 34.13 29.67 2kgk s GLU 75 CO 0.15 0.22 0.22 0.08 -0.49 0.00 0.00 175.26 175.43 2kgk s VAL 76 N -1.91 5.38 0.29 2.63 1.01 -1.26 0.01 120.40 126.56 2kgk s VAL 76 Ca 0.51 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2kgk s VAL 76 Cb -0.11 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 2kgk s VAL 76 CO 0.19 0.13 0.32 0.00 0.00 0.00 0.00 175.10 175.74 2kgk s ALA 77 N -1.52 1.16 0.65 5.51 0.00 -0.36 -4.85 121.76 122.35 2kgk s ALA 77 Ca 0.35 -1.70 0.02 0.00 0.00 0.00 0.00 51.96 50.63 2kgk s ALA 77 Cb -0.13 1.32 0.12 0.00 0.00 0.00 0.00 23.12 24.43 2kgk s ALA 77 CO 0.28 -0.70 0.82 0.72 0.00 0.00 0.00 175.76 176.88 2kgk n HIS 78 N -0.49 -2.86 -0.27 0.00 8.25 -1.26 -2.40 115.22 116.19 2kgk n HIS 78 Ca 0.03 -1.59 -0.19 0.00 -0.26 0.00 0.00 57.72 55.72 2kgk n HIS 78 Cb 0.63 -0.59 0.18 0.00 1.12 0.00 0.00 29.99 31.32 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 -2.81 -3.24 0.21 0.41 3.41 -1.26 -4.27 113.62 106.07 2kgk n SER 79 Ca 0.14 -0.53 0.17 0.00 -0.26 0.00 0.00 58.87 58.39 2kgk n SER 79 Cb 0.51 -0.69 0.75 0.00 -0.26 0.00 0.00 64.21 64.52 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 -2.96 0.18 -0.67 -3.33 3.04 -1.98 0.28 116.25 110.81 2kgk h VAL 80 Ca -0.24 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.47 2kgk h VAL 80 Cb 0.81 0.62 -0.04 0.00 -2.01 0.00 0.00 31.29 30.67 2kgk h VAL 80 CO 0.14 0.00 0.43 -0.33 -1.01 0.00 0.00 177.57 176.80 2kgk h GLU 81 N 0.00 0.83 0.13 4.17 5.08 -2.00 0.26 114.58 123.04 2kgk h GLU 81 Ca 0.10 -0.05 -0.28 0.00 -1.00 0.00 0.00 59.36 58.13 2kgk h GLU 81 Cb 0.94 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 30.02 2kgk h GLU 81 CO -0.00 0.55 -1.24 1.49 -1.00 0.00 0.00 179.01 178.81 2kgk h GLU 82 N 0.86 0.40 -0.48 2.33 4.57 -1.18 -3.29 114.58 117.78 2kgk h GLU 82 Ca 0.26 -0.61 -0.08 0.00 -1.18 0.00 0.00 59.36 57.75 2kgk h GLU 82 Cb -0.03 0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 2kgk h GLU 82 CO -0.08 1.27 -0.03 0.28 -1.18 0.00 0.00 179.01 179.27 2kgk h VAL 83 N 0.15 1.25 -0.23 0.32 2.07 -1.21 -1.72 116.25 116.87 2kgk h VAL 83 Ca -0.16 -1.05 0.06 0.00 0.82 0.00 0.00 66.70 66.37 2kgk h VAL 83 Cb 1.93 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 32.54 2kgk h VAL 83 CO 0.22 0.37 -0.28 0.15 0.02 0.00 0.00 177.57 178.04 2kgk h PHE 84 N 0.75 -0.78 -0.27 1.57 3.57 -0.56 -0.14 116.94 121.08 2kgk h PHE 84 Ca 0.14 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.56 2kgk h PHE 84 Cb 0.49 0.38 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 2kgk h PHE 84 CO 0.03 -0.36 -0.30 1.05 -2.23 0.00 0.00 178.31 176.50 2kgk h GLU 85 N -0.30 0.68 -0.24 1.11 4.11 -1.65 -2.92 114.58 115.37 2kgk h GLU 85 Ca 0.13 -0.37 0.07 0.00 0.07 0.00 0.00 59.36 59.26 2kgk h GLU 85 Cb 0.51 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2kgk h GLU 85 CO -0.40 0.98 0.31 -0.07 0.07 0.00 0.00 179.01 179.90 2kgk h LEU 86 N 0.41 0.00 -0.81 3.06 -0.00 -0.80 0.87 115.31 118.04 2kgk h LEU 86 Ca 0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.82 2kgk h LEU 86 Cb 0.87 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.51 2kgk h LEU 86 CO 0.07 0.00 -0.22 0.00 -0.00 0.00 0.00 178.44 178.29 2kgk n LYS 88 N -4.12 0.50 0.14 0.00 2.85 0.30 -2.34 118.16 115.49 2kgk n LYS 88 Ca 0.00 0.03 0.13 0.00 -1.05 0.00 0.00 58.31 57.42 2kgk n LYS 88 Cb 0.41 -1.50 0.29 0.00 -0.65 0.00 0.00 35.03 33.58 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 -3.05 -5.58 -0.73 -1.39 -3.44 115.58 101.39 2kgk h ASN 89 Ca 0.00 -0.02 -0.20 0.00 1.87 0.00 0.00 56.30 57.95 2kgk h ASN 89 Cb 0.04 0.00 -0.31 0.00 0.27 0.00 0.00 38.32 38.32 2kgk h ASN 89 CO 0.00 0.01 -0.50 -0.70 -0.37 0.00 0.00 177.43 175.87 2kgk s GLU 90 N -3.15 0.18 0.25 6.67 2.56 -0.99 -5.04 118.70 119.18 2kgk s GLU 90 Ca 0.09 0.68 -0.04 0.00 0.00 0.00 0.00 54.97 55.70 2kgk s GLU 90 Cb 0.10 -0.06 0.45 0.00 2.00 0.00 0.00 34.13 36.63 2kgk s GLU 90 CO 0.64 -0.23 1.75 1.05 -0.56 0.00 0.00 175.26 177.90 2kgk h GLU 91 N 7.83 0.50 -4.52 4.30 4.11 -1.86 -3.34 114.58 121.61 2kgk h GLU 91 Ca -0.25 -0.03 -0.70 0.00 0.07 0.00 0.00 59.36 58.45 2kgk h GLU 91 Cb 1.13 -0.11 -0.31 0.00 0.50 0.00 0.00 28.75 29.96 2kgk h GLU 91 CO 0.23 0.33 -0.54 -1.21 0.07 0.00 0.00 179.01 177.89 2kgk s GLU 92 N -6.01 2.36 -0.02 1.06 2.02 -1.26 -1.60 118.70 115.25 2kgk s GLU 92 Ca -0.12 -1.56 0.07 0.00 0.02 0.00 0.00 54.97 53.39 2kgk s GLU 92 Cb 0.20 -3.61 -0.02 0.00 0.10 0.00 0.00 34.13 30.80 2kgk s GLU 92 CO 0.77 -0.94 -0.24 0.96 0.02 0.00 0.00 175.26 175.83 2kgk s ILE 93 N 1.29 2.24 -0.21 -1.63 -0.00 -1.06 -4.77 121.20 117.08 2kgk s ILE 93 Ca 0.03 -1.08 -0.07 0.00 -0.00 0.00 0.00 60.65 59.52 2kgk s ILE 93 Cb -0.22 -1.81 -0.04 0.00 -0.00 0.00 0.00 42.46 40.39 2kgk s ILE 93 CO -0.01 0.55 0.07 -0.36 -0.00 0.00 0.00 174.94 175.19 2kgk s PHE 94 N -0.66 3.19 -0.16 1.37 0.08 -1.07 -2.46 117.98 118.27 2kgk s PHE 94 Ca 0.11 -0.07 -0.05 0.00 0.12 0.00 0.00 56.93 57.03 2kgk s PHE 94 Cb -0.10 -2.14 -0.03 0.00 -0.57 0.00 0.00 43.02 40.17 2kgk s PHE 94 CO -0.00 -0.02 0.02 0.42 -0.10 0.00 0.00 175.22 175.54 2kgk s ILE 95 N 0.81 4.43 0.00 0.64 -1.09 -0.61 -1.64 121.20 123.73 2kgk s ILE 95 Ca 0.04 -0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.29 2kgk s ILE 95 Cb -0.14 -2.96 0.00 0.00 -1.58 0.00 0.00 42.46 37.79 2kgk s ILE 95 CO 0.02 0.50 0.00 0.33 -1.23 0.00 0.00 174.94 174.56 2kgk n PHE 96 N 3.29 0.00 0.00 3.97 -0.00 0.42 -2.71 117.46 122.43 2kgk n PHE 96 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.28 2kgk n PHE 96 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.01 2kgk n PHE 96 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2kgk n GLY 97 N 2.78 0.00 0.00 7.13 0.00 -0.32 -4.58 105.19 110.20 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 3.39 0.25 -0.02 0.00 -1.26 -1.26 105.19 106.29 2kgk n GLY 98 Ca 0.00 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 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 1.84 -0.62 -0.95 4.61 0.00 -1.99 0.92 119.26 123.06 2kgk h ALA 99 Ca 0.00 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.85 2kgk h ALA 99 Cb 0.00 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 2kgk h ALA 99 CO 0.00 -0.58 0.62 -0.56 0.00 0.00 0.00 179.25 178.73 2kgk h GLN 100 N -1.05 1.06 -0.30 0.00 3.07 -2.00 -1.81 115.11 114.08 2kgk h GLN 100 Ca -0.06 -0.06 -0.06 0.00 0.09 0.00 0.00 58.65 58.56 2kgk h GLN 100 Cb 0.44 -0.24 -0.01 0.00 0.08 0.00 0.00 27.48 27.75 2kgk h GLN 100 CO 0.10 0.70 -0.03 0.82 0.09 0.00 0.00 178.83 180.51 2kgk h ILE 101 N 1.09 1.27 -0.40 1.86 2.04 -1.96 -2.25 117.51 119.16 2kgk h ILE 101 Ca 0.41 -1.01 0.08 0.00 1.00 0.00 0.00 64.86 65.34 2kgk h ILE 101 Cb 0.20 1.33 -0.09 0.00 -0.74 0.00 0.00 36.82 37.53 2kgk h ILE 101 CO -0.16 0.33 -0.20 1.88 0.00 0.00 0.00 178.15 179.99 2kgk h TYR 102 N 0.32 -0.50 -0.47 1.37 -1.99 0.01 0.26 116.97 115.98 2kgk h TYR 102 Ca 0.08 0.05 0.02 0.00 2.00 0.00 0.00 58.73 60.87 2kgk h TYR 102 Cb 0.49 0.28 -0.02 0.00 2.00 0.00 0.00 36.73 39.48 2kgk h TYR 102 CO 0.04 -0.28 0.31 0.22 -0.00 0.00 0.00 178.16 178.46 2kgk h ASP 103 N -0.13 0.50 -0.52 3.88 3.58 -1.33 -0.03 116.42 122.37 2kgk h ASP 103 Ca 0.19 -0.01 0.10 0.00 0.42 0.00 0.00 57.03 57.74 2kgk h ASP 103 Cb 0.43 -0.12 -0.09 0.00 1.72 0.00 0.00 39.33 41.27 2kgk h ASP 103 CO -0.48 0.35 -0.05 0.25 -2.88 0.00 0.00 179.24 176.43 2kgk h LEU 104 N 0.58 -0.33 -3.48 2.28 5.85 0.14 -2.80 115.31 117.55 2kgk h LEU 104 Ca 0.18 0.14 -0.33 0.00 0.84 0.00 0.00 57.88 58.71 2kgk h LEU 104 Cb 0.02 0.26 -0.26 0.00 0.37 0.00 0.00 40.66 41.05 2kgk h LEU 104 CO -0.04 -0.12 -0.70 2.22 -0.34 0.00 0.00 178.44 179.45 2kgk n PHE 105 N -5.30 1.65 0.15 1.25 1.16 -0.96 -4.82 117.46 110.59 2kgk n PHE 105 Ca 0.06 -1.93 -0.13 0.00 -1.87 0.00 0.00 57.45 53.58 2kgk n PHE 105 Cb 0.29 -0.30 -0.06 0.00 -1.61 0.00 0.00 39.48 37.79 2kgk n PHE 105 CO 0.00 0.00 0.00 1.25 -1.87 0.00 0.00 176.76 176.14 2kgk h LEU 106 N 1.72 -0.58 0.00 5.98 5.85 -0.73 -0.63 115.31 126.93 2kgk h LEU 106 Ca 0.22 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2kgk h LEU 106 Cb 1.33 0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.56 2kgk h LEU 106 CO 0.45 -0.32 0.00 -0.81 -0.34 0.00 0.00 178.44 177.43 2kgk n PRO 107 N -5.34 0.06 -0.03 5.25 -0.04 -1.26 -1.41 135.00 132.22 2kgk n PRO 107 Ca -0.08 0.26 -0.05 0.00 -0.04 0.00 0.00 63.50 63.59 2kgk n PRO 107 Cb 0.25 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.08 2kgk n PRO 107 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2kgk n TYR 108 N -1.31 0.55 -1.57 0.54 9.36 -0.29 -4.96 117.16 119.47 2kgk n TYR 108 Ca 0.02 0.19 -0.38 0.00 3.32 0.00 0.00 57.90 61.05 2kgk n TYR 108 Cb 0.04 -1.03 0.05 0.00 -0.63 0.00 0.00 39.34 37.77 2kgk n TYR 108 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2kgk n VAL 109 N -2.82 3.42 -0.01 2.97 0.31 -0.50 -4.76 118.33 116.94 2kgk n VAL 109 Ca -0.19 -0.50 -0.01 0.00 -0.01 0.00 0.00 64.34 63.63 2kgk n VAL 109 Cb 0.98 -1.03 -0.01 0.00 -0.91 0.00 0.00 33.84 32.87 2kgk n VAL 109 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2kgk n ASP 110 N -0.57 4.37 -3.99 4.52 -0.08 0.51 -4.89 116.55 116.43 2kgk n ASP 110 Ca 0.13 -0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 53.17 2kgk n ASP 110 Cb 0.48 0.34 -0.17 0.00 2.34 0.00 0.00 41.12 44.11 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 -2.04 1.51 -0.21 -0.67 1.02 0.11 -1.06 119.74 118.40 2kgk s LYS 111 Ca -0.01 -0.33 -0.03 0.00 0.02 0.00 0.00 55.97 55.61 2kgk s LYS 111 Cb 0.01 -1.31 -0.01 0.00 -0.52 0.00 0.00 37.83 36.00 2kgk s LYS 111 CO 0.05 -0.02 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.23 2kgk s LEU 112 N 0.82 2.85 -0.18 3.17 0.20 -0.00 -0.18 118.68 125.36 2kgk s LEU 112 Ca -0.12 -0.38 0.01 0.00 0.69 0.00 0.00 54.13 54.32 2kgk s LEU 112 Cb -0.15 -1.71 0.03 0.00 -0.43 0.00 0.00 46.19 43.92 2kgk s LEU 112 CO 0.02 0.01 -0.16 -0.31 -0.29 0.00 0.00 176.35 175.62 2kgk s TYR 113 N 1.30 2.57 -0.02 5.38 2.02 0.52 -0.71 117.35 128.41 2kgk s TYR 113 Ca 0.04 -1.56 0.04 0.00 -0.37 0.00 0.00 57.07 55.21 2kgk s TYR 113 Cb -0.14 -1.77 -0.01 0.00 -0.40 0.00 0.00 41.96 39.64 2kgk s TYR 113 CO -0.03 -0.76 -0.12 0.42 -1.57 0.00 0.00 175.55 173.49 2kgk s ILE 114 N 1.35 0.96 -0.34 2.71 1.09 -1.16 -2.12 121.20 123.70 2kgk s ILE 114 Ca 0.03 -0.50 -0.03 0.00 -1.10 0.00 0.00 60.65 59.05 2kgk s ILE 114 Cb -0.14 -0.82 0.06 0.00 -1.06 0.00 0.00 42.46 40.51 2kgk s ILE 114 CO -0.11 0.28 0.08 0.28 -0.10 0.00 0.00 174.94 175.37 2kgk s THR 115 N -0.15 3.23 -0.23 2.92 -1.32 -1.10 -0.60 115.64 118.38 2kgk s THR 115 Ca 0.02 -1.51 -0.29 0.00 -1.21 0.00 0.00 61.69 58.70 2kgk s THR 115 Cb -0.06 -2.95 -0.01 0.00 -1.51 0.00 0.00 72.50 67.97 2kgk s THR 115 CO -0.00 -0.28 1.36 -0.75 -2.21 0.00 0.00 174.62 172.74 2kgk s LYS 116 N 1.25 4.01 -0.09 7.08 2.47 0.55 -1.84 119.74 133.18 2kgk s LYS 116 Ca -0.01 1.50 0.02 0.00 -1.56 0.00 0.00 55.97 55.92 2kgk s LYS 116 Cb -0.20 -3.88 -0.02 0.00 -1.46 0.00 0.00 37.83 32.27 2kgk s LYS 116 CO -0.01 -1.01 -0.15 0.42 0.16 0.00 0.00 175.35 174.76 2kgk s ILE 117 N 4.23 2.94 -1.31 5.43 1.01 -0.77 -0.16 121.20 132.58 2kgk s ILE 117 Ca 0.59 -0.73 -0.06 0.00 0.00 0.00 0.00 60.65 60.44 2kgk s ILE 117 Cb -0.21 -2.18 0.14 0.00 0.01 0.00 0.00 42.46 40.22 2kgk s ILE 117 CO 0.22 0.56 2.22 1.57 0.00 0.00 0.00 174.94 179.51 2kgk n HIS 118 N 2.94 2.68 -3.25 3.97 -0.00 -0.87 -2.90 115.22 117.79 2kgk n HIS 118 Ca -0.18 -2.81 0.04 0.00 -0.00 0.00 0.00 57.72 54.77 2kgk n HIS 118 Cb 0.52 -1.85 -0.02 0.00 -0.00 0.00 0.00 29.99 28.64 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 -0.78 -0.87 -0.28 1.57 5.65 -1.26 -4.71 115.29 114.61 2kgk s HIS 119 Ca 0.49 1.10 -0.23 0.00 0.25 0.00 0.00 55.06 56.68 2kgk s HIS 119 Cb 0.16 0.37 0.13 0.00 -1.18 0.00 0.00 32.58 32.06 2kgk s HIS 119 CO -0.06 -0.46 1.04 0.00 -0.65 0.00 0.00 174.74 174.61 2kgk s ALA 120 N 2.78 -2.05 -0.27 1.58 0.00 -1.26 -4.61 121.76 117.93 2kgk s ALA 120 Ca 0.04 1.94 -0.09 0.00 0.00 0.00 0.00 51.96 53.84 2kgk s ALA 120 Cb -0.10 -1.52 0.12 0.00 0.00 0.00 0.00 23.12 21.62 2kgk s ALA 120 CO -0.16 -0.25 0.58 0.12 0.00 0.00 0.00 175.76 176.06 2kgk s PHE 121 N 0.46 -1.19 -0.05 0.00 5.36 -1.26 -4.52 117.98 116.77 2kgk s PHE 121 Ca 0.01 2.10 -0.04 0.00 -0.96 0.00 0.00 56.93 58.05 2kgk s PHE 121 Cb -0.05 0.66 0.01 0.00 -0.34 0.00 0.00 43.02 43.31 2kgk s PHE 121 CO -0.09 -0.62 0.08 0.39 -1.46 0.00 0.00 175.22 173.52 2kgk n GLU 122 N 5.43 -2.63 -0.22 10.12 1.02 -1.26 -4.72 120.64 128.38 2kgk n GLU 122 Ca -0.11 2.05 0.00 0.00 -0.02 0.00 0.00 57.16 59.08 2kgk n GLU 122 Cb 0.49 -2.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.31 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 2.10 5.72 0.00 0.62 0.00 -0.96 -4.19 105.19 108.49 2kgk n GLY 123 Ca -0.13 -1.61 0.05 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.27 2.24 -3.63 1.61 2.03 0.18 -4.93 116.55 113.78 2kgk n ASP 124 Ca 0.00 -0.15 -0.21 0.00 0.52 0.00 0.00 54.79 54.96 2kgk n ASP 124 Cb 0.00 1.37 -0.16 0.00 -0.72 0.00 0.00 41.12 41.61 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 -2.55 -0.17 0.07 5.18 2.01 -1.09 -4.98 115.64 114.11 2kgk s THR 125 Ca -0.02 0.16 0.09 0.00 0.31 0.00 0.00 61.69 62.23 2kgk s THR 125 Cb 0.07 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 72.16 2kgk s THR 125 CO 0.42 -0.02 -0.26 0.72 -0.69 0.00 0.00 174.62 174.79 2kgk s PHE 126 N 2.22 2.25 -0.28 4.92 -0.71 -1.26 -1.44 117.98 123.67 2kgk s PHE 126 Ca 0.04 -0.40 -0.19 0.00 -1.04 0.00 0.00 56.93 55.33 2kgk s PHE 126 Cb -0.14 -1.31 0.12 0.00 -1.21 0.00 0.00 43.02 40.48 2kgk s PHE 126 CO -0.07 0.17 0.92 0.12 -1.34 0.00 0.00 175.22 175.03 2kgk s PHE 127 N -0.88 -0.65 1.12 3.49 5.36 -1.08 -4.76 117.98 120.58 2kgk s PHE 127 Ca 0.12 1.39 -0.17 0.00 -0.96 0.00 0.00 56.93 57.31 2kgk s PHE 127 Cb -0.10 0.40 0.25 0.00 -0.34 0.00 0.00 43.02 43.23 2kgk s PHE 127 CO 0.03 -0.32 1.14 -1.25 -1.46 0.00 0.00 175.22 173.36 2kgk s PRO 128 N 1.01 -0.59 -1.24 10.12 0.04 -1.26 -4.44 135.00 138.64 2kgk s PRO 128 Ca -0.05 -0.03 -0.08 0.00 0.04 0.00 0.00 61.00 60.88 2kgk s PRO 128 Cb -0.04 -1.67 0.20 0.00 0.04 0.00 0.00 34.50 33.03 2kgk s PRO 128 CO -0.12 -3.30 1.81 -0.85 0.04 0.00 0.00 177.00 174.57 2kgk n GLU 129 N -4.48 3.86 -2.75 4.56 0.28 -1.26 -4.95 120.64 115.90 2kgk n GLU 129 Ca 0.12 -3.76 -0.12 0.00 -0.16 0.00 0.00 57.16 53.24 2kgk n GLU 129 Cb 0.59 -2.82 -0.01 0.00 1.43 0.00 0.00 31.44 30.63 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 3.20 1.29 -3.85 3.44 2.81 -1.26 -4.83 117.12 117.92 2kgk n MET 130 Ca 0.37 -1.49 -0.34 0.00 -1.81 0.00 0.00 57.70 54.44 2kgk n MET 130 Cb 0.35 0.27 0.02 0.00 -0.71 0.00 0.00 33.22 33.14 2kgk n MET 130 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2kgk n ASP 131 N -1.59 -4.81 0.00 7.83 9.92 -1.26 -4.89 116.55 121.75 2kgk n ASP 131 Ca -0.04 -1.06 0.00 0.00 -0.53 0.00 0.00 54.79 53.15 2kgk n ASP 131 Cb 0.27 -2.15 0.00 0.00 -0.64 0.00 0.00 41.12 38.60 2kgk n ASP 131 CO 0.00 0.00 0.00 1.15 0.13 0.00 0.00 177.20 178.48 2kgk n MET 132 N -3.84 2.67 -0.30 -1.24 0.00 -1.26 -4.67 117.12 108.48 2kgk n MET 132 Ca -0.18 0.00 0.28 0.00 0.00 0.00 0.00 57.70 57.80 2kgk n MET 132 Cb 0.61 -0.99 0.62 0.00 0.00 0.00 0.00 33.22 33.46 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 0.00 0.49 -0.01 3.17 1.03 -1.98 1.14 112.91 116.74 2kgk h THR 133 Ca 0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 66.41 66.33 2kgk h THR 133 Cb 0.97 0.26 -0.00 0.00 -1.07 0.00 0.00 68.15 68.31 2kgk h THR 133 CO 0.00 0.04 0.04 0.78 -0.01 0.00 0.00 175.52 176.37 2kgk h ASN 134 N 0.21 0.00 -4.05 0.00 2.35 -1.99 -3.40 115.58 108.70 2kgk h ASN 134 Ca 0.56 0.00 -0.69 0.00 -0.55 0.00 0.00 56.30 55.62 2kgk h ASN 134 Cb 1.78 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 39.92 2kgk h ASN 134 CO -0.16 0.00 -0.83 0.26 -1.65 0.00 0.00 177.43 175.05 2kgk s TRP 135 N -4.30 2.48 -0.04 1.19 0.52 0.39 -5.00 118.94 114.19 2kgk s TRP 135 Ca -0.05 -0.31 0.00 0.00 0.02 0.00 0.00 56.10 55.77 2kgk s TRP 135 Cb 0.13 -1.43 -0.03 0.00 -1.15 0.00 0.00 33.47 30.99 2kgk s TRP 135 CO 0.44 0.23 0.00 0.15 0.02 0.00 0.00 176.95 177.79 2kgk s LYS 136 N -1.44 2.86 0.20 4.98 -0.14 -1.23 -4.92 119.74 120.05 2kgk s LYS 136 Ca 0.14 -0.53 -0.09 0.00 -1.36 0.00 0.00 55.97 54.13 2kgk s LYS 136 Cb -0.10 -2.72 -0.07 0.00 -1.68 0.00 0.00 37.83 33.26 2kgk s LYS 136 CO 0.05 0.66 0.51 -1.83 -0.76 0.00 0.00 175.35 173.97 2kgk s GLU 137 N -1.28 3.77 0.00 1.68 1.03 -1.26 -1.74 118.70 120.90 2kgk s GLU 137 Ca 0.17 0.21 0.00 0.00 0.03 0.00 0.00 54.97 55.38 2kgk s GLU 137 Cb -0.11 -2.72 0.00 0.00 -0.80 0.00 0.00 34.13 30.49 2kgk s GLU 137 CO 0.07 0.37 0.05 1.33 -1.33 0.00 0.00 175.26 175.75 2kgk n VAL 138 N 0.02 0.00 -3.61 1.83 0.24 -0.91 -4.96 118.33 110.94 2kgk n VAL 138 Ca -0.01 -0.27 -0.05 0.00 -2.04 0.00 0.00 64.34 61.98 2kgk n VAL 138 Cb 0.52 1.09 -0.04 0.00 -1.47 0.00 0.00 33.84 33.94 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 -0.43 -0.15 -0.22 6.34 2.19 -1.25 -5.06 117.98 119.40 2kgk s PHE 139 Ca 0.00 0.19 -0.04 0.00 0.33 0.00 0.00 56.93 57.41 2kgk s PHE 139 Cb 0.00 0.49 0.12 0.00 -1.31 0.00 0.00 43.02 42.32 2kgk s PHE 139 CO 0.00 -0.17 0.39 0.54 1.83 0.00 0.00 175.22 177.82 2kgk s VAL 140 N -1.57 -0.62 0.15 3.12 0.11 -1.26 -1.32 120.40 119.01 2kgk s VAL 140 Ca 0.07 0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.18 2kgk s VAL 140 Cb -0.01 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 34.05 2kgk s VAL 140 CO -0.05 -0.04 0.22 -0.70 -3.33 0.00 0.00 175.10 171.20 2kgk s GLU 141 N 2.57 3.20 0.27 1.54 2.12 0.24 -4.94 118.70 123.70 2kgk s GLU 141 Ca 0.08 -0.71 0.10 0.00 0.36 0.00 0.00 54.97 54.79 2kgk s GLU 141 Cb -0.14 -2.83 -0.04 0.00 0.26 0.00 0.00 34.13 31.38 2kgk s GLU 141 CO -0.15 0.51 -0.01 -1.59 -0.54 0.00 0.00 175.26 173.48 2kgk s LYS 142 N -3.16 2.27 0.00 4.30 0.00 -1.26 0.13 119.74 122.01 2kgk s LYS 142 Ca 0.33 -1.44 0.00 0.00 0.00 0.00 0.00 55.97 54.86 2kgk s LYS 142 Cb -0.11 -2.14 0.00 0.00 0.00 0.00 0.00 37.83 35.58 2kgk s LYS 142 CO 0.26 0.35 0.00 0.41 0.00 0.00 0.00 175.35 176.38 2kgk n GLY 143 N -0.89 5.57 3.34 0.59 0.00 -0.28 -4.84 105.19 108.69 2kgk n GLY 143 Ca -0.06 -2.13 -0.12 0.00 0.00 0.00 0.00 46.02 43.70 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 0.21 0.89 0.99 2.96 -1.26 -4.63 118.68 117.85 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 1.94 0.13 0.00 0.50 0.00 0.00 46.19 48.76 2kgk s LEU 144 CO 0.00 -0.78 1.09 0.28 -1.32 0.00 0.00 176.35 175.62 2kgk s THR 145 N -3.15 2.68 0.21 3.68 -1.32 -1.11 -4.82 115.64 111.82 2kgk s THR 145 Ca -0.01 0.22 -0.23 0.00 -1.21 0.00 0.00 61.69 60.46 2kgk s THR 145 Cb 0.00 -2.64 0.04 0.00 -1.51 0.00 0.00 72.50 68.40 2kgk s THR 145 CO -0.07 -0.29 0.75 -0.62 -2.21 0.00 0.00 174.62 172.18 2kgk s ASP 146 N -3.30 -0.32 0.30 8.08 -1.08 -0.78 -4.92 116.67 114.66 2kgk s ASP 146 Ca 0.64 -0.41 -0.01 0.00 -0.52 0.00 0.00 52.55 52.25 2kgk s ASP 146 Cb -0.19 0.64 0.47 0.00 -1.46 0.00 0.00 42.92 42.37 2kgk s ASP 146 CO 0.57 -1.14 1.91 -0.33 0.52 0.00 0.00 175.17 176.70 2kgk h GLU 147 N 2.00 0.90 0.00 4.34 5.08 -2.00 -0.12 114.58 124.79 2kgk h GLU 147 Ca -0.23 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2kgk h GLU 147 Cb 1.26 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2kgk h GLU 147 CO 0.27 0.70 -0.14 1.63 -1.00 0.00 0.00 179.01 180.46 2kgk n LYS 148 N -4.35 0.14 -3.02 2.33 4.01 -1.26 -4.38 118.16 111.63 2kgk n LYS 148 Ca 0.06 0.09 -0.16 0.00 -0.51 0.00 0.00 58.31 57.79 2kgk n LYS 148 Cb 0.13 -1.64 -0.03 0.00 -0.51 0.00 0.00 35.03 32.98 2kgk n LYS 148 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2kgk n ASN 149 N -1.88 -1.48 -4.50 4.39 3.02 -0.55 -4.82 115.26 109.44 2kgk n ASN 149 Ca 0.06 -2.86 -0.24 0.00 -0.03 0.00 0.00 54.58 51.51 2kgk n ASN 149 Cb 0.39 0.53 -0.09 0.00 -0.61 0.00 0.00 39.78 40.00 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 1.99 0.94 -3.60 3.52 -0.04 -0.17 -1.87 135.00 135.76 2kgk n PRO 150 Ca 0.18 -2.09 0.01 0.00 -0.04 0.00 0.00 63.50 61.56 2kgk n PRO 150 Cb 0.56 -3.75 -0.01 0.00 -0.04 0.00 0.00 33.50 30.26 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 13.29 -0.03 0.02 0.54 2.02 -1.26 -4.94 117.35 126.98 2kgk s TYR 151 Ca 0.73 -0.00 0.05 0.00 -0.37 0.00 0.00 57.07 57.48 2kgk s TYR 151 Cb -0.01 0.51 -0.03 0.00 -0.40 0.00 0.00 41.96 42.03 2kgk s TYR 151 CO 0.16 -0.09 -0.12 0.99 -1.57 0.00 0.00 175.55 174.93 2kgk s THR 152 N -2.15 3.24 0.27 -0.71 2.01 -1.26 -2.77 115.64 114.28 2kgk s THR 152 Ca 0.13 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.19 2kgk s THR 152 Cb 0.03 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 2kgk s THR 152 CO -0.05 0.38 0.26 -0.72 -0.69 0.00 0.00 174.62 173.81 2kgk s TYR 153 N -0.95 1.31 -0.06 4.92 -0.85 -1.26 -2.05 117.35 118.41 2kgk s TYR 153 Ca 0.16 -1.43 -0.06 0.00 -0.52 0.00 0.00 57.07 55.22 2kgk s TYR 153 Cb -0.11 -0.49 0.02 0.00 0.38 0.00 0.00 41.96 41.76 2kgk s TYR 153 CO 0.06 -0.83 0.17 0.71 -1.52 0.00 0.00 175.55 174.14 2kgk s TYR 154 N -3.72 -0.19 -0.26 -3.49 2.02 0.78 -1.12 117.35 111.37 2kgk s TYR 154 Ca 0.37 0.46 -0.13 0.00 -0.37 0.00 0.00 57.07 57.40 2kgk s TYR 154 Cb 0.04 0.06 -0.04 0.00 -0.40 0.00 0.00 41.96 41.61 2kgk s TYR 154 CO 0.19 -0.09 0.28 -0.47 -1.57 0.00 0.00 175.55 173.88 2kgk s TYR 155 N 0.14 3.26 -0.10 2.71 5.04 0.34 -0.33 117.35 128.41 2kgk s TYR 155 Ca -0.00 0.30 -0.05 0.00 -2.44 0.00 0.00 57.07 54.88 2kgk s TYR 155 Cb -0.02 -2.45 -0.04 0.00 0.35 0.00 0.00 41.96 39.81 2kgk s TYR 155 CO -0.00 -0.13 0.07 -1.01 -1.34 0.00 0.00 175.55 173.14 2kgk s HIS 156 N 1.72 3.39 -0.17 4.97 3.76 0.23 -0.59 115.29 128.59 2kgk s HIS 156 Ca 0.11 0.37 0.01 0.00 -0.15 0.00 0.00 55.06 55.40 2kgk s HIS 156 Cb -0.15 -1.87 0.02 0.00 1.11 0.00 0.00 32.58 31.69 2kgk s HIS 156 CO 0.09 0.61 -0.18 0.08 -0.85 0.00 0.00 174.74 174.49 2kgk s VAL 157 N -0.96 1.92 0.10 -0.90 1.01 -0.43 -2.96 120.40 118.17 2kgk s VAL 157 Ca 0.14 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.29 2kgk s VAL 157 Cb -0.12 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 2kgk s VAL 157 CO 0.03 0.49 -0.12 -0.31 0.00 0.00 0.00 175.10 175.19 2kgk s TYR 158 N 1.34 1.18 0.03 5.22 1.51 0.11 -2.13 117.35 124.60 2kgk s TYR 158 Ca 0.04 -0.59 -0.20 0.00 -1.01 0.00 0.00 57.07 55.32 2kgk s TYR 158 Cb -0.13 -0.64 0.04 0.00 -0.11 0.00 0.00 41.96 41.12 2kgk s TYR 158 CO -0.12 0.05 0.44 -1.83 -1.11 0.00 0.00 175.55 172.99 2kgk s GLU 159 N -2.54 0.92 -0.08 -0.62 -1.05 -0.71 -0.82 118.70 113.79 2kgk s GLU 159 Ca 0.05 -0.25 -0.11 0.00 -0.15 0.00 0.00 54.97 54.51 2kgk s GLU 159 Cb -0.05 0.41 -0.05 0.00 -0.44 0.00 0.00 34.13 34.01 2kgk s GLU 159 CO 0.01 -0.31 0.27 0.15 0.95 0.00 0.00 175.26 176.34 2kgk s LYS 160 N -2.17 3.75 0.02 -4.83 -0.14 -0.23 -3.50 119.74 112.64 2kgk s LYS 160 Ca -0.07 0.12 -0.07 0.00 -1.36 0.00 0.00 55.97 54.59 2kgk s LYS 160 Cb -0.01 -3.23 -0.03 0.00 -1.68 0.00 0.00 37.83 32.88 2kgk s LYS 160 CO 0.00 0.67 1.11 1.96 -0.76 0.00 0.00 175.35 178.34 2kgk h GLN 161 N 5.08 -0.13 0.00 1.68 7.50 -1.94 -3.48 115.11 123.82 2kgk h GLN 161 Ca -0.52 0.01 0.00 0.00 0.50 0.00 0.00 58.65 58.64 2kgk h GLN 161 Cb 1.22 0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.78 2kgk h GLN 161 CO 0.62 -0.09 0.00 0.94 -1.50 0.00 0.00 178.83 178.80