#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgk s ILE 2 N 0.00 1.99 -0.23 1.12 -1.09 -0.76 -5.01 121.20 117.22 2kgk s ILE 2 Ca 0.00 -1.01 0.02 0.00 -2.23 0.00 0.00 60.65 57.43 2kgk s ILE 2 Cb 0.00 -1.70 0.05 0.00 -1.58 0.00 0.00 42.46 39.23 2kgk s ILE 2 CO 0.00 0.55 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.46 2kgk s VAL 3 N 0.07 1.95 -0.09 2.92 1.01 -1.26 -2.37 120.40 122.63 2kgk s VAL 3 Ca -0.10 -1.36 -0.00 0.00 0.00 0.00 0.00 61.98 60.52 2kgk s VAL 3 Cb -0.15 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 2kgk s VAL 3 CO 0.06 0.07 -0.06 -0.94 0.00 0.00 0.00 175.10 174.23 2kgk s SER 4 N 1.23 4.68 0.02 3.32 1.04 -0.98 -0.44 113.70 122.59 2kgk s SER 4 Ca -0.05 -0.05 0.06 0.00 0.48 0.00 0.00 55.95 56.38 2kgk s SER 4 Cb -0.18 -1.36 -0.03 0.00 0.10 0.00 0.00 66.02 64.54 2kgk s SER 4 CO -0.07 0.31 -0.15 -0.36 0.98 0.00 0.00 173.24 173.95 2kgk s PHE 5 N -0.47 2.66 -0.23 5.02 0.40 -0.67 -2.23 117.98 122.46 2kgk s PHE 5 Ca 0.07 -0.19 -0.01 0.00 -0.60 0.00 0.00 56.93 56.20 2kgk s PHE 5 Cb -0.12 -1.51 0.02 0.00 0.51 0.00 0.00 43.02 41.92 2kgk s PHE 5 CO 0.02 0.28 -0.10 -1.64 0.70 0.00 0.00 175.22 174.48 2kgk s MET 6 N -1.39 2.86 0.00 0.44 -1.94 -1.06 -1.79 119.30 116.42 2kgk s MET 6 Ca 0.15 -0.95 -0.01 0.00 -1.71 0.00 0.00 55.69 53.18 2kgk s MET 6 Cb -0.11 -2.88 -0.01 0.00 2.01 0.00 0.00 34.83 33.84 2kgk s MET 6 CO 0.06 -0.36 0.00 0.54 -0.01 0.00 0.00 175.02 175.25 2kgk s VAL 7 N 1.31 0.04 0.22 -6.03 0.11 -0.77 -4.76 120.40 110.52 2kgk s VAL 7 Ca 0.01 -0.34 0.06 0.00 -2.93 0.00 0.00 61.98 58.77 2kgk s VAL 7 Cb -0.16 -0.12 -0.04 0.00 -1.53 0.00 0.00 36.38 34.53 2kgk s VAL 7 CO -0.06 -0.19 0.22 0.00 -3.33 0.00 0.00 175.10 171.74 2kgk s ALA 8 N -0.55 3.68 -0.13 1.54 0.00 -1.26 -2.44 121.76 122.59 2kgk s ALA 8 Ca -0.06 -1.30 0.03 0.00 0.00 0.00 0.00 51.96 50.63 2kgk s ALA 8 Cb -0.04 -1.44 0.01 0.00 0.00 0.00 0.00 23.12 21.65 2kgk s ALA 8 CO -0.00 0.34 -0.22 -1.64 0.00 0.00 0.00 175.76 174.23 2kgk s MET 9 N -3.63 3.01 -0.19 0.00 -1.94 0.11 -3.86 119.30 112.80 2kgk s MET 9 Ca 0.33 -0.85 -0.04 0.00 -1.71 0.00 0.00 55.69 53.41 2kgk s MET 9 Cb -0.09 -2.41 -0.02 0.00 2.01 0.00 0.00 34.83 34.32 2kgk s MET 9 CO 0.26 0.01 -0.02 -0.51 -0.01 0.00 0.00 175.02 174.74 2kgk s ASP 10 N 0.75 4.70 0.53 3.03 1.01 -1.02 -1.36 116.67 124.31 2kgk s ASP 10 Ca -0.09 -0.21 0.25 0.00 0.71 0.00 0.00 52.55 53.21 2kgk s ASP 10 Cb -0.16 -1.79 1.47 0.00 1.01 0.00 0.00 42.92 43.45 2kgk s ASP 10 CO -0.00 0.09 2.12 1.05 0.21 0.00 0.00 175.17 178.63 2kgk h GLU 11 N 7.29 0.00 -0.00 8.23 4.11 -1.87 -2.11 114.58 130.23 2kgk h GLU 11 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.08 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 0.61 0.09 -0.84 0.09 0.07 0.00 0.00 179.01 179.03 2kgk n ASN 12 N -3.89 0.85 0.00 3.06 3.02 -1.26 -4.99 115.26 112.05 2kgk n ASN 12 Ca -0.02 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 2kgk n ASN 12 Cb 0.18 1.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.35 2kgk n ASN 12 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kgk n ARG 13 N -1.41 0.00 0.00 3.52 1.74 -0.79 -4.42 116.66 115.29 2kgk n ARG 13 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2kgk n ARG 13 Cb 0.28 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.72 2kgk n ARG 13 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2kgk n VAL 14 N 0.00 0.00 0.00 1.55 3.14 -0.43 -2.20 118.33 120.39 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 -0.12 0.00 0.00 -1.06 0.00 0.00 33.84 32.66 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 -1.77 0.00 -3.71 1.55 -5.35 -1.18 -2.42 119.36 106.48 2kgk n ILE 15 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2kgk n ILE 15 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 2kgk n ILE 15 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kgk n GLY 16 N 0.31 -1.25 0.88 3.28 0.00 -1.24 -4.32 105.19 102.85 2kgk n GLY 16 Ca 0.00 -1.09 -0.04 0.00 0.00 0.00 0.00 46.02 44.89 2kgk n GLY 16 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kgk n LYS 17 N 0.00 0.08 -3.46 1.61 2.85 -0.50 -1.04 118.16 117.70 2kgk n LYS 17 Ca 0.00 0.04 -0.28 0.00 -1.05 0.00 0.00 58.31 57.01 2kgk n LYS 17 Cb 0.00 -0.64 -0.08 0.00 -0.65 0.00 0.00 35.03 33.67 2kgk n LYS 17 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2kgk n ASP 18 N -3.22 3.88 -0.01 -5.58 9.92 -1.26 -4.37 116.55 115.90 2kgk n ASP 18 Ca -0.07 -3.41 -0.00 0.00 -0.53 0.00 0.00 54.79 50.78 2kgk n ASP 18 Cb 0.50 -0.73 -0.00 0.00 -0.64 0.00 0.00 41.12 40.25 2kgk n ASP 18 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2kgk n ASN 19 N 1.05 -5.28 0.00 -2.24 6.94 -1.26 -4.81 115.26 109.66 2kgk n ASN 19 Ca 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.85 2kgk n ASN 19 Cb 0.40 -2.79 0.00 0.00 -2.36 0.00 0.00 39.78 35.02 2kgk n ASN 19 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2kgk n ASN 20 N -0.76 0.00 -4.93 0.53 4.13 -1.26 -5.02 115.26 107.95 2kgk n ASN 20 Ca -0.00 0.00 -0.27 0.00 1.68 0.00 0.00 54.58 55.99 2kgk n ASN 20 Cb 0.38 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.59 2kgk n ASN 20 CO 0.00 0.00 0.00 -1.48 0.28 0.00 0.00 177.26 176.06 2kgk s LEU 21 N 0.00 4.23 0.00 3.41 -0.00 -1.26 -1.41 118.68 123.65 2kgk s LEU 21 Ca 0.00 0.38 0.00 0.00 -0.00 0.00 0.00 54.13 54.51 2kgk s LEU 21 Cb 0.00 -3.15 0.00 0.00 -0.00 0.00 0.00 46.19 43.04 2kgk s LEU 21 CO 0.00 -0.04 0.00 -0.81 -0.00 0.00 0.00 176.35 175.50 2kgk n PRO 22 N -0.70 1.98 -1.62 1.48 -0.04 -1.26 -4.69 135.00 130.15 2kgk n PRO 22 Ca -0.05 0.00 -0.63 0.00 -0.04 0.00 0.00 63.50 62.78 2kgk n PRO 22 Cb 0.54 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.91 2kgk n PRO 22 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 2kgk n TRP 23 N -0.35 1.26 0.00 0.54 -0.00 -1.26 -4.89 117.44 112.73 2kgk n TRP 23 Ca 0.00 1.09 0.00 0.00 -0.00 0.00 0.00 57.50 58.59 2kgk n TRP 23 Cb 0.00 -2.14 0.00 0.00 -0.00 0.00 0.00 31.31 29.17 2kgk n TRP 23 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 177.69 180.58 2kgk n ARG 24 N 2.88 0.51 -3.44 5.87 1.85 -1.26 -5.10 116.66 117.96 2kgk n ARG 24 Ca 0.26 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.68 2kgk n ARG 24 Cb 0.00 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.34 2kgk n ARG 24 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2kgk s LEU 25 N 0.00 5.86 0.00 2.89 2.96 -1.26 -4.67 118.68 124.46 2kgk s LEU 25 Ca 0.00 -1.79 0.00 0.00 -0.22 0.00 0.00 54.13 52.12 2kgk s LEU 25 Cb 0.00 -2.10 0.00 0.00 0.50 0.00 0.00 46.19 44.59 2kgk s LEU 25 CO 0.00 -0.75 0.84 -0.81 -1.32 0.00 0.00 176.35 174.31 2kgk n PRO 26 N 5.07 0.00 -0.05 0.98 -0.04 -1.26 -1.62 135.00 138.08 2kgk n PRO 26 Ca -0.11 0.35 -0.16 0.00 -0.04 0.00 0.00 63.50 63.54 2kgk n PRO 26 Cb 0.41 -1.52 -0.13 0.00 -0.04 0.00 0.00 33.50 32.22 2kgk n PRO 26 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2kgk h SER 27 N 0.00 0.08 -0.03 3.54 0.02 -2.00 -3.20 113.55 111.96 2kgk h SER 27 Ca 0.00 -0.96 -0.01 0.00 -0.84 0.00 0.00 61.79 59.99 2kgk h SER 27 Cb 0.04 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 2kgk h SER 27 CO 0.00 1.11 0.00 -0.08 -1.14 0.00 0.00 176.83 176.72 2kgk h GLU 28 N -0.88 0.09 -0.22 3.45 4.81 -1.73 0.05 114.58 120.15 2kgk h GLU 28 Ca -0.05 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.23 2kgk h GLU 28 Cb 1.14 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.44 2kgk h GLU 28 CO 0.01 0.10 -0.23 1.25 -0.73 0.00 0.00 179.01 179.41 2kgk h LEU 29 N 0.09 -0.72 -0.10 1.64 7.12 -1.54 0.21 115.31 122.00 2kgk h LEU 29 Ca 0.02 0.13 -0.17 0.00 0.13 0.00 0.00 57.88 57.99 2kgk h LEU 29 Cb 0.06 0.34 -0.02 0.00 -0.53 0.00 0.00 40.66 40.50 2kgk h LEU 29 CO 0.00 -0.27 -0.81 1.56 -0.13 0.00 0.00 178.44 178.80 2kgk h GLN 30 N -0.24 0.00 0.17 1.25 4.20 -1.32 -2.46 115.11 116.69 2kgk h GLN 30 Ca 0.13 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 2kgk h GLN 30 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2kgk h GLN 30 CO -0.36 0.81 -0.08 -0.92 -0.67 0.00 0.00 178.83 177.61 2kgk h TYR 31 N 0.00 -0.21 -0.19 2.96 3.20 -0.38 -0.98 116.97 121.37 2kgk h TYR 31 Ca -0.01 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 2kgk h TYR 31 Cb 1.57 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.90 2kgk h TYR 31 CO 0.00 0.10 -0.29 -0.24 -1.64 0.00 0.00 178.16 176.08 2kgk h VAL 32 N -0.51 1.27 -0.37 1.81 3.04 -0.71 -1.60 116.25 119.17 2kgk h VAL 32 Ca -0.02 -1.30 -0.03 0.00 -1.01 0.00 0.00 66.70 64.34 2kgk h VAL 32 Cb 0.40 1.45 -0.02 0.00 -2.01 0.00 0.00 31.29 31.11 2kgk h VAL 32 CO 0.04 0.40 0.11 0.50 -1.01 0.00 0.00 177.57 177.61 2kgk h LYS 33 N 0.33 0.58 0.00 4.17 3.64 -1.35 0.22 116.57 124.15 2kgk h LYS 33 Ca 0.05 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2kgk h LYS 33 Cb 0.69 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2kgk h LYS 33 CO 0.05 0.60 0.00 1.57 -2.27 0.00 0.00 179.45 179.40 2kgk h LYS 34 N 0.45 0.00 0.00 1.90 2.10 -1.03 0.49 116.57 120.48 2kgk h LYS 34 Ca 0.12 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.67 2kgk h LYS 34 Cb 0.27 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.58 2kgk h LYS 34 CO -0.00 0.00 -1.25 -2.37 -2.00 0.00 0.00 179.45 173.83 2kgk n THR 35 N -2.74 0.97 0.67 0.07 5.66 -0.62 -4.01 114.28 114.28 2kgk n THR 35 Ca 0.03 -0.64 0.07 0.00 -3.05 0.00 0.00 64.05 60.46 2kgk n THR 35 Cb 0.38 -0.59 -0.06 0.00 -1.55 0.00 0.00 70.33 68.51 2kgk n THR 35 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 2kgk n THR 36 N -2.81 0.00 -1.58 1.09 5.66 0.71 -4.93 114.28 112.43 2kgk n THR 36 Ca -0.06 -0.21 -0.53 0.00 -3.05 0.00 0.00 64.05 60.20 2kgk n THR 36 Cb 0.73 1.04 -0.06 0.00 -1.55 0.00 0.00 70.33 70.49 2kgk n THR 36 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 2kgk n MET 37 N -1.06 0.97 0.00 1.09 2.00 0.17 -2.01 117.12 118.29 2kgk n MET 37 Ca 0.03 0.35 0.00 0.00 0.00 0.00 0.00 57.70 58.09 2kgk n MET 37 Cb 0.24 -1.97 0.00 0.00 0.00 0.00 0.00 33.22 31.49 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 2.35 2.05 3.33 3.03 0.00 -0.79 -4.98 105.19 110.19 2kgk n GLY 38 Ca 0.19 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 -1.70 -2.19 1.61 8.25 -0.85 -4.60 115.22 115.73 2kgk n HIS 39 Ca 0.00 0.65 -0.42 0.00 -0.26 0.00 0.00 57.72 57.69 2kgk n HIS 39 Cb 0.00 -1.83 -0.03 0.00 1.12 0.00 0.00 29.99 29.25 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 -1.11 4.36 -0.29 -0.41 0.04 -1.26 -4.77 135.00 131.56 2kgk s PRO 40 Ca 0.60 2.07 0.02 0.00 0.04 0.00 0.00 61.00 63.73 2kgk s PRO 40 Cb -0.65 -3.21 0.07 0.00 0.04 0.00 0.00 34.50 30.74 2kgk s PRO 40 CO 0.61 -0.33 -0.04 -0.51 0.04 0.00 0.00 177.00 176.77 2kgk s LEU 41 N 0.32 3.85 -0.60 -3.56 1.43 -0.79 -1.63 118.68 117.71 2kgk s LEU 41 Ca 0.60 -1.52 -0.23 0.00 -1.03 0.00 0.00 54.13 51.95 2kgk s LEU 41 Cb -0.37 -1.62 0.06 0.00 0.03 0.00 0.00 46.19 44.29 2kgk s LEU 41 CO 0.35 -0.25 0.92 -0.63 0.23 0.00 0.00 176.35 176.97 2kgk s ILE 42 N 1.11 4.41 0.20 -0.59 1.09 -0.74 -0.23 121.20 126.44 2kgk s ILE 42 Ca -0.04 -0.11 0.06 0.00 -1.10 0.00 0.00 60.65 59.45 2kgk s ILE 42 Cb -0.20 -4.59 -0.04 0.00 -1.06 0.00 0.00 42.46 36.58 2kgk s ILE 42 CO -0.04 -1.25 0.14 -0.04 -0.10 0.00 0.00 174.94 173.65 2kgk s MET 43 N 3.87 2.86 0.47 2.79 -1.94 0.83 0.16 119.30 128.34 2kgk s MET 43 Ca 0.25 -0.96 -0.22 0.00 -1.71 0.00 0.00 55.69 53.04 2kgk s MET 43 Cb -0.15 -2.59 -0.07 0.00 2.01 0.00 0.00 34.83 34.03 2kgk s MET 43 CO 0.14 0.45 1.15 0.20 -0.01 0.00 0.00 175.02 176.95 2kgk s GLY 44 N -3.35 2.74 0.08 -0.03 0.00 -0.89 -2.34 107.32 103.53 2kgk s GLY 44 Ca 0.31 0.89 -0.26 0.00 0.00 0.00 0.00 44.72 45.66 2kgk s GLY 44 CO 0.23 1.32 1.68 -0.09 0.00 0.00 0.00 173.10 176.25 2kgk h ARG 45 N 1.88 -0.28 -0.65 2.90 1.12 -1.89 -0.07 114.38 117.38 2kgk h ARG 45 Ca -0.49 0.02 0.07 0.00 -1.11 0.00 0.00 59.98 58.46 2kgk h ARG 45 Cb 1.25 0.06 -0.04 0.00 -0.01 0.00 0.00 29.97 31.23 2kgk h ARG 45 CO 0.60 -0.17 0.43 -0.22 -3.11 0.00 0.00 179.97 177.49 2kgk h LYS 46 N -0.31 0.60 -0.17 0.20 3.64 -1.93 0.69 116.57 119.29 2kgk h LYS 46 Ca -0.03 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 2kgk h LYS 46 Cb 0.24 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2kgk h LYS 46 CO 0.05 0.40 0.04 -0.91 -2.27 0.00 0.00 179.45 176.75 2kgk h ASN 47 N 0.62 0.25 -0.06 4.20 2.35 -1.75 -1.71 115.58 119.48 2kgk h ASN 47 Ca 0.28 -0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2kgk h ASN 47 Cb 0.32 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 2kgk h ASN 47 CO -0.09 0.42 0.02 0.22 -1.65 0.00 0.00 177.43 176.36 2kgk h TYR 48 N 0.07 0.09 -0.07 1.19 5.03 -0.07 -1.41 116.97 121.81 2kgk h TYR 48 Ca 0.05 -0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.37 2kgk h TYR 48 Cb 0.27 -0.03 -0.00 0.00 1.55 0.00 0.00 36.73 38.52 2kgk h TYR 48 CO 0.01 0.24 0.08 1.05 -1.32 0.00 0.00 178.16 178.22 2kgk h GLU 49 N -0.08 0.00 0.02 1.82 -0.00 -0.88 0.42 114.58 115.88 2kgk h GLU 49 Ca 0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 59.36 59.32 2kgk h GLU 49 Cb 0.19 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 28.94 2kgk h GLU 49 CO -0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 179.01 178.76 2kgk h ALA 50 N 1.91 -0.00 0.30 1.06 0.00 -0.78 -3.36 119.26 118.38 2kgk h ALA 50 Ca 0.03 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2kgk h ALA 50 Cb 0.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2kgk h ALA 50 CO -0.00 0.09 -0.14 0.82 0.00 0.00 0.00 179.25 180.02 2kgk h ILE 51 N -0.65 0.73 0.00 0.00 2.04 -0.62 -3.50 117.51 115.50 2kgk h ILE 51 Ca -0.04 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.33 2kgk h ILE 51 Cb 1.10 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 2kgk h ILE 51 CO 0.05 0.10 0.00 0.61 0.00 0.00 0.00 178.15 178.91 2kgk n GLY 52 N -0.50 0.77 2.61 5.37 0.00 0.08 -4.88 105.19 108.63 2kgk n GLY 52 Ca -0.10 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 2kgk n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kgk n ARG 53 N 0.00 2.55 -1.81 1.61 3.00 -1.26 -4.59 116.66 116.16 2kgk n ARG 53 Ca 0.00 -4.20 -0.32 0.00 -0.01 0.00 0.00 57.85 53.31 2kgk n ARG 53 Cb 0.00 -1.97 0.04 0.00 0.00 0.00 0.00 32.46 30.52 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 -3.26 2.98 -0.27 5.56 0.04 -1.26 -4.99 135.00 133.80 2kgk s PRO 54 Ca 0.43 1.23 0.10 0.00 0.04 0.00 0.00 61.00 62.81 2kgk s PRO 54 Cb 0.37 -1.99 0.32 0.00 0.04 0.00 0.00 34.50 33.25 2kgk s PRO 54 CO -0.11 -1.08 1.40 1.47 0.04 0.00 0.00 177.00 178.71 2kgk n LEU 55 N -2.45 -1.31 -4.43 -3.56 -0.00 -1.26 -4.87 117.00 99.12 2kgk n LEU 55 Ca 0.09 -2.89 -0.15 0.00 -0.00 0.00 0.00 56.01 53.06 2kgk n LEU 55 Cb 0.53 0.12 -0.11 0.00 -0.00 0.00 0.00 43.42 43.97 2kgk n LEU 55 CO 0.49 1.64 1.08 -0.81 -0.00 0.00 0.00 177.39 179.79 2kgk n PRO 56 N -1.24 0.07 0.00 1.47 -0.04 -1.26 -0.08 135.00 133.93 2kgk n PRO 56 Ca -0.18 -1.45 0.00 0.00 -0.04 0.00 0.00 63.50 61.83 2kgk n PRO 56 Cb 0.83 -3.48 0.00 0.00 -0.04 0.00 0.00 33.50 30.80 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 5.84 -0.73 4.06 0.55 0.00 -1.26 -4.61 105.19 109.04 2kgk n GLY 57 Ca 0.36 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 -3.48 -2.56 1.61 1.74 0.88 -1.88 116.66 112.96 2kgk n ARG 58 Ca 0.00 0.41 -0.04 0.00 -0.77 0.00 0.00 57.85 57.45 2kgk n ARG 58 Cb 0.00 -4.87 0.03 0.00 -1.02 0.00 0.00 32.46 26.61 2kgk n ARG 58 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2kgk n ARG 59 N -4.43 0.53 -3.28 5.56 0.63 -1.26 -4.90 116.66 109.51 2kgk n ARG 59 Ca -0.11 -0.98 -0.39 0.00 -0.92 0.00 0.00 57.85 55.44 2kgk n ARG 59 Cb 0.59 0.02 -0.08 0.00 0.45 0.00 0.00 32.46 33.44 2kgk n ARG 59 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 2kgk s ASN 60 N -0.51 6.43 -0.15 6.15 0.02 -1.26 -1.88 114.94 123.75 2kgk s ASN 60 Ca 0.09 0.52 -0.02 0.00 -1.02 0.00 0.00 52.86 52.42 2kgk s ASN 60 Cb 0.18 -2.27 -0.02 0.00 0.02 0.00 0.00 41.25 39.16 2kgk s ASN 60 CO -0.04 -0.22 -0.07 -0.63 0.02 0.00 0.00 177.10 176.16 2kgk s ILE 61 N 1.98 3.57 -0.06 0.60 -1.09 0.68 -2.34 121.20 124.54 2kgk s ILE 61 Ca 0.21 -0.47 -0.00 0.00 -2.23 0.00 0.00 60.65 58.15 2kgk s ILE 61 Cb -0.15 -2.54 -0.03 0.00 -1.58 0.00 0.00 42.46 38.15 2kgk s ILE 61 CO 0.09 0.51 -0.01 0.27 -1.23 0.00 0.00 174.94 174.57 2kgk s ILE 62 N 0.35 4.15 -0.23 2.92 -4.36 -0.18 -0.12 121.20 123.74 2kgk s ILE 62 Ca -0.07 -0.40 -0.12 0.00 -0.26 0.00 0.00 60.65 59.81 2kgk s ILE 62 Cb -0.15 -2.77 -0.05 0.00 1.25 0.00 0.00 42.46 40.75 2kgk s ILE 62 CO 0.04 0.53 0.21 -0.69 0.24 0.00 0.00 174.94 175.27 2kgk s VAL 63 N -0.93 5.33 -0.21 8.37 1.01 -0.99 0.22 120.40 133.20 2kgk s VAL 63 Ca 0.15 0.30 -0.24 0.00 0.00 0.00 0.00 61.98 62.18 2kgk s VAL 63 Cb -0.11 -3.55 0.06 0.00 0.00 0.00 0.00 36.38 32.79 2kgk s VAL 63 CO 0.05 0.34 0.66 0.28 0.00 0.00 0.00 175.10 176.42 2kgk s THR 64 N 1.01 0.00 -0.42 3.92 -1.32 0.06 -3.14 115.64 115.75 2kgk s THR 64 Ca 0.10 -0.01 -0.17 0.00 -1.21 0.00 0.00 61.69 60.39 2kgk s THR 64 Cb -0.13 -0.93 0.02 0.00 -1.51 0.00 0.00 72.50 69.95 2kgk s THR 64 CO 0.04 -0.01 0.45 0.00 -2.21 0.00 0.00 174.62 172.90 2kgk s ARG 65 N 0.06 3.13 -0.30 7.08 1.70 -1.26 -4.22 118.95 125.14 2kgk s ARG 65 Ca -0.02 -0.72 -0.15 0.00 -0.47 0.00 0.00 55.73 54.37 2kgk s ARG 65 Cb -0.04 -3.96 0.18 0.00 -0.57 0.00 0.00 34.95 30.56 2kgk s ARG 65 CO 0.02 -0.85 1.14 -0.80 -1.08 0.00 0.00 175.30 173.74 2kgk s ASN 66 N 1.82 -0.21 -0.35 -2.89 0.01 -1.26 -5.08 114.94 106.98 2kgk s ASN 66 Ca 0.13 0.06 -0.28 0.00 -0.71 0.00 0.00 52.86 52.07 2kgk s ASN 66 Cb -0.17 1.15 -0.04 0.00 0.41 0.00 0.00 41.25 42.60 2kgk s ASN 66 CO 0.14 -0.04 2.10 -1.61 -1.51 0.00 0.00 177.10 176.18 2kgk s GLU 67 N 2.98 2.92 0.00 -0.60 2.02 -1.26 -1.19 118.70 123.57 2kgk s GLU 67 Ca 0.16 1.57 0.00 0.00 0.02 0.00 0.00 54.97 56.72 2kgk s GLU 67 Cb -0.04 -4.37 0.00 0.00 0.10 0.00 0.00 34.13 29.82 2kgk s GLU 67 CO -0.17 -2.35 0.00 0.41 0.02 0.00 0.00 175.26 173.17 2kgk n GLY 68 N 5.71 1.26 3.78 -1.39 0.00 -1.26 -5.10 105.19 108.19 2kgk n GLY 68 Ca 0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.93 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 3.63 -0.20 1.61 5.04 -0.33 -5.06 117.35 120.04 2kgk s TYR 69 Ca 0.00 1.76 -0.13 0.00 -2.44 0.00 0.00 57.07 56.27 2kgk s TYR 69 Cb 0.00 -2.99 0.06 0.00 0.35 0.00 0.00 41.96 39.38 2kgk s TYR 69 CO 0.00 0.03 0.49 -3.38 -1.34 0.00 0.00 175.55 171.35 2kgk s HIS 70 N -1.56 -0.69 -0.25 4.97 -3.43 -1.26 -4.94 115.29 108.13 2kgk s HIS 70 Ca 0.51 1.48 0.01 0.00 -0.80 0.00 0.00 55.06 56.26 2kgk s HIS 70 Cb -0.21 0.33 0.07 0.00 -1.43 0.00 0.00 32.58 31.34 2kgk s HIS 70 CO 0.26 -0.36 -0.05 0.08 -2.00 0.00 0.00 174.74 172.67 2kgk s VAL 71 N 1.18 1.67 -0.21 -5.38 1.01 -1.26 -5.08 120.40 112.33 2kgk s VAL 71 Ca -0.07 -1.40 -0.29 0.00 0.00 0.00 0.00 61.98 60.22 2kgk s VAL 71 Cb -0.06 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 2kgk s VAL 71 CO -0.11 -0.16 1.79 -1.61 0.00 0.00 0.00 175.10 175.01 2kgk s GLU 72 N 1.31 3.64 0.00 2.72 2.02 -1.26 -2.05 118.70 125.09 2kgk s GLU 72 Ca -0.04 1.80 0.00 0.00 0.02 0.00 0.00 54.97 56.75 2kgk s GLU 72 Cb -0.19 -4.14 0.00 0.00 0.10 0.00 0.00 34.13 29.90 2kgk s GLU 72 CO -0.07 -1.49 0.00 0.41 0.02 0.00 0.00 175.26 174.13 2kgk n GLY 73 N 4.97 1.52 3.23 -1.39 0.00 -1.26 -5.05 105.19 107.21 2kgk n GLY 73 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.90 4.04 0.01 0.00 8.01 -0.99 -4.37 118.70 121.50 2kgk s GLU 75 Ca 0.09 0.57 -0.02 0.00 0.01 0.00 0.00 54.97 55.62 2kgk s GLU 75 Cb 0.05 -2.92 -0.04 0.00 -4.31 0.00 0.00 34.13 26.91 2kgk s GLU 75 CO -0.07 0.46 0.19 0.54 0.01 0.00 0.00 175.26 176.39 2kgk s VAL 76 N -1.48 5.42 0.12 2.63 0.11 -1.26 -1.01 120.40 124.93 2kgk s VAL 76 Ca 0.39 -0.20 0.01 0.00 -2.93 0.00 0.00 61.98 59.24 2kgk s VAL 76 Cb -0.15 -3.56 -0.04 0.00 -1.53 0.00 0.00 36.38 31.09 2kgk s VAL 76 CO 0.19 0.28 -0.01 0.00 -3.33 0.00 0.00 175.10 172.24 2kgk s ALA 77 N -1.37 0.99 0.77 1.54 0.00 0.13 -4.85 121.76 118.97 2kgk s ALA 77 Ca 0.29 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.82 2kgk s ALA 77 Cb -0.13 0.48 0.00 0.00 0.00 0.00 0.00 23.12 23.48 2kgk s ALA 77 CO 0.21 -0.35 0.00 1.58 0.00 0.00 0.00 175.76 177.20 2kgk n HIS 78 N -0.09 -3.74 -0.38 0.00 -0.00 -1.26 -0.76 115.22 108.99 2kgk n HIS 78 Ca -0.09 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 57.93 2kgk n HIS 78 Cb 0.62 0.00 0.15 0.00 -0.12 0.00 0.00 29.99 30.64 2kgk n HIS 78 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2kgk n SER 79 N -2.97 -2.56 0.21 0.26 3.41 -1.26 -4.04 113.62 106.66 2kgk n SER 79 Ca 0.00 -0.62 0.17 0.00 -0.26 0.00 0.00 58.87 58.16 2kgk n SER 79 Cb 0.00 -0.54 0.83 0.00 -0.26 0.00 0.00 64.21 64.24 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 -2.61 0.47 -0.65 -3.33 3.04 -1.98 -1.16 116.25 110.03 2kgk h VAL 80 Ca -0.22 0.00 0.06 0.00 -1.01 0.00 0.00 66.70 65.53 2kgk h VAL 80 Cb 0.70 0.84 -0.05 0.00 -2.01 0.00 0.00 31.29 30.77 2kgk h VAL 80 CO 0.13 0.00 0.36 -0.33 -1.01 0.00 0.00 177.57 176.72 2kgk h GLU 81 N 0.00 0.65 0.05 4.17 5.08 -2.00 0.18 114.58 122.70 2kgk h GLU 81 Ca 0.09 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 2kgk h GLU 81 Cb 0.48 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.60 2kgk h GLU 81 CO -0.00 0.43 -0.43 1.49 -1.00 0.00 0.00 179.01 179.50 2kgk h GLU 82 N 0.66 0.20 -0.67 2.33 4.57 -1.51 -3.26 114.58 116.91 2kgk h GLU 82 Ca 0.29 -0.28 0.16 0.00 -1.18 0.00 0.00 59.36 58.34 2kgk h GLU 82 Cb 0.18 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.83 2kgk h GLU 82 CO -0.18 1.08 0.46 0.28 -1.18 0.00 0.00 179.01 179.47 2kgk h VAL 83 N -0.53 0.75 0.15 0.32 2.07 -1.25 0.57 116.25 118.32 2kgk h VAL 83 Ca -0.07 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.39 2kgk h VAL 83 Cb 1.27 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 2kgk h VAL 83 CO 0.08 0.04 -0.25 0.15 0.02 0.00 0.00 177.57 177.61 2kgk h PHE 84 N 0.21 -0.66 -0.08 1.57 3.57 -0.68 -1.40 116.94 119.45 2kgk h PHE 84 Ca 0.32 0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.63 2kgk h PHE 84 Cb 0.97 0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.99 2kgk h PHE 84 CO -0.00 -0.35 -0.77 1.05 -2.23 0.00 0.00 178.31 176.00 2kgk h GLU 85 N -0.47 0.50 -0.06 1.11 4.11 -1.43 -3.07 114.58 115.28 2kgk h GLU 85 Ca 0.02 -0.43 0.02 0.00 0.07 0.00 0.00 59.36 59.04 2kgk h GLU 85 Cb 0.48 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 2kgk h GLU 85 CO -0.12 1.06 0.09 1.25 0.07 0.00 0.00 179.01 181.35 2kgk h LEU 86 N 0.33 0.00 -0.59 3.06 7.12 -0.68 -1.68 115.31 122.87 2kgk h LEU 86 Ca -0.04 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 57.91 2kgk h LEU 86 Cb 1.37 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.47 2kgk h LEU 86 CO 0.14 0.00 0.14 0.00 -0.13 0.00 0.00 178.44 178.59 2kgk n LYS 88 N -4.35 0.06 0.26 0.00 2.85 -0.63 -2.24 118.16 114.11 2kgk n LYS 88 Ca 0.03 0.27 0.16 0.00 -1.05 0.00 0.00 58.31 57.72 2kgk n LYS 88 Cb 0.24 -1.61 0.53 0.00 -0.65 0.00 0.00 35.03 33.55 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 -3.44 -5.58 -0.00 -1.32 -3.43 115.58 101.81 2kgk h ASN 89 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 56.30 55.92 2kgk h ASN 89 Cb 0.32 0.00 -0.35 0.00 -0.00 0.00 0.00 38.32 38.30 2kgk h ASN 89 CO 0.00 0.00 -0.76 -1.61 -0.00 0.00 0.00 177.43 175.06 2kgk s GLU 90 N -3.53 0.52 0.00 6.67 2.02 -0.95 -5.09 118.70 118.34 2kgk s GLU 90 Ca 0.03 0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.05 2kgk s GLU 90 Cb 0.08 -0.68 0.00 0.00 0.10 0.00 0.00 34.13 33.63 2kgk s GLU 90 CO 0.58 -0.15 0.36 -0.85 0.02 0.00 0.00 175.26 175.22 2kgk n GLU 91 N 4.29 0.00 -3.18 1.61 0.28 -1.26 -4.26 120.64 118.12 2kgk n GLU 91 Ca -0.22 0.25 -0.41 0.00 -0.16 0.00 0.00 57.16 56.63 2kgk n GLU 91 Cb 0.50 -0.86 -0.07 0.00 1.43 0.00 0.00 31.44 32.45 2kgk n GLU 91 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2kgk s GLU 92 N -0.71 3.95 0.01 3.44 -1.05 -1.25 -1.82 118.70 121.26 2kgk s GLU 92 Ca 0.00 0.27 0.06 0.00 -0.15 0.00 0.00 54.97 55.15 2kgk s GLU 92 Cb 0.00 -3.70 -0.02 0.00 -0.44 0.00 0.00 34.13 29.97 2kgk s GLU 92 CO 0.00 -0.48 -0.19 0.96 0.95 0.00 0.00 175.26 176.51 2kgk s ILE 93 N 2.45 1.47 -0.18 1.83 -0.00 -1.00 -4.72 121.20 121.06 2kgk s ILE 93 Ca 0.23 -0.94 -0.06 0.00 -0.00 0.00 0.00 60.65 59.88 2kgk s ILE 93 Cb -0.15 -1.25 -0.03 0.00 -0.00 0.00 0.00 42.46 41.02 2kgk s ILE 93 CO 0.11 0.30 0.03 -0.36 -0.00 0.00 0.00 174.94 175.01 2kgk s PHE 94 N -0.59 3.13 -0.11 1.37 0.40 -0.64 -2.31 117.98 119.23 2kgk s PHE 94 Ca 0.07 -0.16 0.01 0.00 -0.60 0.00 0.00 56.93 56.24 2kgk s PHE 94 Cb -0.08 -2.06 -0.02 0.00 0.51 0.00 0.00 43.02 41.37 2kgk s PHE 94 CO 0.00 -0.02 -0.13 0.42 0.70 0.00 0.00 175.22 176.19 2kgk s ILE 95 N 0.60 3.06 -0.02 0.64 -1.09 -0.95 -1.80 121.20 121.64 2kgk s ILE 95 Ca 0.01 -0.67 0.03 0.00 -2.23 0.00 0.00 60.65 57.79 2kgk s ILE 95 Cb -0.14 -2.26 0.05 0.00 -1.58 0.00 0.00 42.46 38.53 2kgk s ILE 95 CO 0.02 0.54 0.88 0.33 -1.23 0.00 0.00 174.94 175.48 2kgk n PHE 96 N 3.25 0.00 0.00 3.97 7.35 0.16 -2.56 117.46 129.63 2kgk n PHE 96 Ca -0.18 -0.21 0.00 0.00 -0.76 0.00 0.00 57.45 56.30 2kgk n PHE 96 Cb 0.53 -0.05 0.00 0.00 0.35 0.00 0.00 39.48 40.30 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 -0.29 0.00 0.00 7.13 0.00 0.41 -4.24 105.19 108.20 2kgk n GLY 97 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.84 0.49 -0.02 0.00 -1.26 -2.09 105.19 103.14 2kgk n GLY 98 Ca 0.00 -0.69 -0.19 0.00 0.00 0.00 0.00 46.02 45.14 2kgk n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kgk h ALA 99 N 2.00 -1.27 -1.00 4.61 0.00 -1.98 0.50 119.26 122.11 2kgk h ALA 99 Ca 0.00 -0.27 0.16 0.00 0.00 0.00 0.00 54.91 54.80 2kgk h ALA 99 Cb 0.00 0.47 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 2kgk h ALA 99 CO 0.00 -1.18 0.61 -0.56 0.00 0.00 0.00 179.25 178.12 2kgk h GLN 100 N -1.28 0.84 -0.07 0.00 -0.00 -2.00 -1.32 115.11 111.29 2kgk h GLN 100 Ca -0.13 -0.05 -0.16 0.00 -0.00 0.00 0.00 58.65 58.32 2kgk h GLN 100 Cb 0.94 -0.19 0.01 0.00 -0.00 0.00 0.00 27.48 28.24 2kgk h GLN 100 CO 0.21 0.56 -0.57 0.82 -0.00 0.00 0.00 178.83 179.84 2kgk h ILE 101 N 0.87 1.38 -0.73 1.86 2.04 -1.90 -2.57 117.51 118.46 2kgk h ILE 101 Ca 0.54 -1.93 0.05 0.00 1.00 0.00 0.00 64.86 64.52 2kgk h ILE 101 Cb 0.70 2.33 -0.05 0.00 -0.74 0.00 0.00 36.82 39.06 2kgk h ILE 101 CO -0.33 0.58 0.43 1.88 0.00 0.00 0.00 178.15 180.71 2kgk h TYR 102 N 0.07 0.80 -0.43 1.37 0.05 0.64 0.19 116.97 119.67 2kgk h TYR 102 Ca -0.05 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.70 2kgk h TYR 102 Cb 1.23 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 38.70 2kgk h TYR 102 CO 0.12 0.41 0.06 0.22 -1.05 0.00 0.00 178.16 177.92 2kgk h ASP 103 N 0.81 0.68 0.70 3.88 3.58 -1.31 0.58 116.42 125.34 2kgk h ASP 103 Ca 0.32 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2kgk h ASP 103 Cb 0.14 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.01 2kgk h ASP 103 CO -0.16 0.78 0.00 0.25 -2.88 0.00 0.00 179.24 177.23 2kgk h LEU 104 N 0.56 0.00 -1.58 2.28 5.85 -0.95 -2.17 115.31 119.31 2kgk h LEU 104 Ca 0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2kgk h LEU 104 Cb 0.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2kgk h LEU 104 CO 0.01 0.00 0.00 0.49 -0.34 0.00 0.00 178.44 178.60 2kgk n PHE 105 N -2.88 0.02 -0.29 1.25 3.01 0.59 -4.58 117.46 114.58 2kgk n PHE 105 Ca 0.00 -0.02 0.01 0.00 1.01 0.00 0.00 57.45 58.45 2kgk n PHE 105 Cb 0.23 -0.00 0.14 0.00 -0.01 0.00 0.00 39.48 39.84 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 2.67 0.75 -1.99 4.37 5.85 0.83 0.15 115.31 127.94 2kgk h LEU 106 Ca 0.00 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2kgk h LEU 106 Cb 0.58 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2kgk h LEU 106 CO 0.00 0.47 0.03 -0.81 -0.34 0.00 0.00 178.44 177.79 2kgk n PRO 107 N -4.68 2.23 0.00 5.25 -0.04 -1.26 -3.68 135.00 132.82 2kgk n PRO 107 Ca 0.12 -1.08 0.00 0.00 -0.04 0.00 0.00 63.50 62.50 2kgk n PRO 107 Cb 0.20 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 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 0.18 0.00 -2.33 0.54 4.01 -0.08 -5.08 117.16 114.40 2kgk n TYR 108 Ca 0.11 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.52 2kgk n TYR 108 Cb 0.62 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.63 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 -1.27 3.90 -0.20 -0.72 0.11 0.32 -4.96 120.40 117.58 2kgk s VAL 109 Ca 0.00 1.03 -0.16 0.00 -2.93 0.00 0.00 61.98 59.92 2kgk s VAL 109 Cb 0.00 -3.46 -0.08 0.00 -1.53 0.00 0.00 36.38 31.32 2kgk s VAL 109 CO 0.00 -0.40 -0.30 -0.67 -3.33 0.00 0.00 175.10 170.40 2kgk n ASP 110 N -1.47 1.92 -4.68 3.54 -0.08 -0.78 -4.82 116.55 110.18 2kgk n ASP 110 Ca 0.09 0.38 -0.35 0.00 -1.51 0.00 0.00 54.79 53.40 2kgk n ASP 110 Cb 0.53 -0.79 -0.09 0.00 2.34 0.00 0.00 41.12 43.10 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 -2.69 3.16 -0.07 -0.67 1.02 0.42 -1.76 119.74 119.15 2kgk s LYS 111 Ca -0.30 -0.39 0.02 0.00 0.02 0.00 0.00 55.97 55.33 2kgk s LYS 111 Cb 0.07 -2.87 0.01 0.00 -0.52 0.00 0.00 37.83 34.52 2kgk s LYS 111 CO 0.43 0.63 -0.14 -1.17 -0.92 0.00 0.00 175.35 174.18 2kgk s LEU 112 N -0.67 1.70 -0.21 3.17 2.96 0.67 -1.67 118.68 124.62 2kgk s LEU 112 Ca 0.11 -0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 53.66 2kgk s LEU 112 Cb -0.12 -0.91 0.01 0.00 0.50 0.00 0.00 46.19 45.67 2kgk s LEU 112 CO 0.02 0.05 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.69 2kgk s TYR 113 N 0.65 2.93 -0.20 5.38 1.51 -0.74 0.32 117.35 127.19 2kgk s TYR 113 Ca -0.15 -1.31 0.01 0.00 -1.01 0.00 0.00 57.07 54.61 2kgk s TYR 113 Cb -0.16 -2.03 0.04 0.00 -0.11 0.00 0.00 41.96 39.70 2kgk s TYR 113 CO 0.04 -0.68 -0.12 0.42 -1.11 0.00 0.00 175.55 174.11 2kgk s ILE 114 N 1.38 1.74 -0.28 2.71 1.01 -0.77 -1.84 121.20 125.15 2kgk s ILE 114 Ca 0.04 -1.04 -0.09 0.00 0.00 0.00 0.00 60.65 59.56 2kgk s ILE 114 Cb -0.14 -1.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.53 2kgk s ILE 114 CO -0.07 0.20 0.12 0.28 0.00 0.00 0.00 174.94 175.47 2kgk s THR 115 N 1.36 4.48 0.30 2.92 -1.32 -1.02 -1.06 115.64 121.30 2kgk s THR 115 Ca -0.01 -0.29 -0.20 0.00 -1.21 0.00 0.00 61.69 59.98 2kgk s THR 115 Cb -0.16 -3.20 -0.09 0.00 -1.51 0.00 0.00 72.50 67.54 2kgk s THR 115 CO -0.09 0.20 0.81 -0.75 -2.21 0.00 0.00 174.62 172.58 2kgk s LYS 116 N 1.62 4.25 -0.06 7.08 2.20 0.98 0.05 119.74 135.86 2kgk s LYS 116 Ca 0.05 0.95 0.01 0.00 -0.36 0.00 0.00 55.97 56.62 2kgk s LYS 116 Cb -0.16 -2.63 0.02 0.00 -1.51 0.00 0.00 37.83 33.55 2kgk s LYS 116 CO 0.05 0.24 -0.07 0.42 -0.36 0.00 0.00 175.35 175.63 2kgk s ILE 117 N -1.77 0.73 -0.18 5.43 1.01 -0.46 -1.43 121.20 124.52 2kgk s ILE 117 Ca 0.51 -0.23 -0.00 0.00 0.00 0.00 0.00 60.65 60.92 2kgk s ILE 117 Cb -0.14 -0.73 0.12 0.00 0.01 0.00 0.00 42.46 41.72 2kgk s ILE 117 CO 0.19 0.27 1.99 1.57 0.00 0.00 0.00 174.94 178.96 2kgk n HIS 118 N 4.07 0.86 -3.33 3.97 -0.00 -1.02 -3.45 115.22 116.33 2kgk n HIS 118 Ca -0.23 -1.52 -0.00 0.00 -0.00 0.00 0.00 57.72 55.97 2kgk n HIS 118 Cb 0.51 -0.74 -0.03 0.00 -0.00 0.00 0.00 29.99 29.72 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 -1.01 -1.36 -0.19 1.57 5.65 -1.26 -4.81 115.29 113.87 2kgk s HIS 119 Ca 0.17 1.69 -0.29 0.00 0.25 0.00 0.00 55.06 56.88 2kgk s HIS 119 Cb 0.14 0.51 0.13 0.00 -1.18 0.00 0.00 32.58 32.17 2kgk s HIS 119 CO -0.00 -0.78 1.02 0.00 -0.65 0.00 0.00 174.74 174.33 2kgk s ALA 120 N 2.80 -1.95 -0.06 1.58 0.00 -1.26 -4.81 121.76 118.06 2kgk s ALA 120 Ca 0.12 1.66 0.02 0.00 0.00 0.00 0.00 51.96 53.76 2kgk s ALA 120 Cb -0.14 -0.90 0.01 0.00 0.00 0.00 0.00 23.12 22.09 2kgk s ALA 120 CO -0.19 -0.29 -0.10 0.12 0.00 0.00 0.00 175.76 175.30 2kgk s PHE 121 N -0.81 1.24 -0.04 0.00 5.36 -1.26 -4.40 117.98 118.07 2kgk s PHE 121 Ca -0.00 -0.43 -0.04 0.00 -0.96 0.00 0.00 56.93 55.50 2kgk s PHE 121 Cb -0.01 -0.94 -0.02 0.00 -0.34 0.00 0.00 43.02 41.71 2kgk s PHE 121 CO -0.01 -0.24 0.16 -0.85 -1.46 0.00 0.00 175.22 172.83 2kgk n GLU 122 N 3.82 0.00 0.00 10.12 0.28 -1.26 -4.87 120.64 128.73 2kgk n GLU 122 Ca -0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.77 2kgk n GLU 122 Cb 0.52 -0.13 0.00 0.00 1.43 0.00 0.00 31.44 33.26 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 0.49 1.94 0.78 -1.84 0.00 -1.26 -5.09 105.19 100.20 2kgk n GLY 123 Ca 0.04 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 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 0.61 -4.37 1.61 2.03 -1.26 -4.91 116.55 110.27 2kgk n ASP 124 Ca 0.00 0.06 -0.46 0.00 0.52 0.00 0.00 54.79 54.91 2kgk n ASP 124 Cb 0.00 -0.15 -0.03 0.00 -0.72 0.00 0.00 41.12 40.22 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 -2.10 5.20 0.04 5.18 2.01 -0.21 -5.00 115.64 120.76 2kgk s THR 125 Ca -0.07 -1.91 0.09 0.00 0.31 0.00 0.00 61.69 60.11 2kgk s THR 125 Cb 0.03 -4.55 -0.03 0.00 0.01 0.00 0.00 72.50 67.96 2kgk s THR 125 CO 0.09 -1.17 -0.25 0.72 -0.69 0.00 0.00 174.62 173.32 2kgk s PHE 126 N 1.40 2.22 -0.29 4.92 -0.12 -1.26 -1.31 117.98 123.54 2kgk s PHE 126 Ca 0.20 -0.41 -0.17 0.00 -0.05 0.00 0.00 56.93 56.51 2kgk s PHE 126 Cb -0.12 -1.34 0.12 0.00 -0.63 0.00 0.00 43.02 41.05 2kgk s PHE 126 CO -0.06 0.10 0.88 0.12 -0.05 0.00 0.00 175.22 176.21 2kgk s PHE 127 N -0.78 -0.73 1.09 3.49 5.36 -0.94 -4.69 117.98 120.78 2kgk s PHE 127 Ca 0.11 1.48 -0.17 0.00 -0.96 0.00 0.00 56.93 57.38 2kgk s PHE 127 Cb -0.10 0.44 0.24 0.00 -0.34 0.00 0.00 43.02 43.26 2kgk s PHE 127 CO 0.02 -0.36 1.19 -1.25 -1.46 0.00 0.00 175.22 173.35 2kgk s PRO 128 N 1.38 -0.32 -0.45 10.12 0.04 -1.26 -4.25 135.00 140.26 2kgk s PRO 128 Ca -0.09 -0.14 -0.16 0.00 0.04 0.00 0.00 61.00 60.65 2kgk s PRO 128 Cb -0.04 -1.71 0.04 0.00 0.04 0.00 0.00 34.50 32.83 2kgk s PRO 128 CO -0.16 -3.10 0.42 -1.83 0.04 0.00 0.00 177.00 172.37 2kgk s GLU 129 N -5.55 3.03 -0.18 4.56 -1.05 -1.26 -4.92 118.70 113.33 2kgk s GLU 129 Ca 0.71 -1.02 -0.15 0.00 -0.15 0.00 0.00 54.97 54.36 2kgk s GLU 129 Cb -0.08 -4.04 -0.07 0.00 -0.44 0.00 0.00 34.13 29.50 2kgk s GLU 129 CO 0.55 -0.93 -0.27 -1.33 0.95 0.00 0.00 175.26 174.22 2kgk n MET 130 N 5.45 0.52 -3.61 -4.83 2.81 -1.26 -5.10 117.12 111.10 2kgk n MET 130 Ca -0.10 0.32 -0.02 0.00 -1.81 0.00 0.00 57.70 56.09 2kgk n MET 130 Cb 0.46 -1.53 -0.02 0.00 -0.71 0.00 0.00 33.22 31.43 2kgk n MET 130 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2kgk s ASP 131 N -6.12 -0.08 -0.34 7.83 2.15 -1.26 -5.08 116.67 113.78 2kgk s ASP 131 Ca -0.26 -0.02 0.11 0.00 0.43 0.00 0.00 52.55 52.81 2kgk s ASP 131 Cb 0.05 0.09 0.38 0.00 -0.30 0.00 0.00 42.92 43.15 2kgk s ASP 131 CO 0.39 -0.16 1.46 1.15 -0.17 0.00 0.00 175.17 177.84 2kgk n MET 132 N -0.14 1.26 0.25 4.34 0.00 -1.26 -4.95 117.12 116.63 2kgk n MET 132 Ca 0.00 -1.27 0.13 0.00 0.00 0.00 0.00 57.70 56.56 2kgk n MET 132 Cb 0.58 0.31 0.64 0.00 0.00 0.00 0.00 33.22 34.76 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 3.36 0.40 0.00 3.17 1.03 -2.05 -2.69 112.91 116.14 2kgk h THR 133 Ca -0.40 -0.73 0.00 0.00 -0.01 0.00 0.00 66.41 65.27 2kgk h THR 133 Cb 1.29 1.53 0.00 0.00 -1.07 0.00 0.00 68.15 69.90 2kgk h THR 133 CO -0.16 0.13 0.01 0.59 -0.01 0.00 0.00 175.52 176.08 2kgk n ASN 134 N -3.38 0.00 -4.35 0.00 3.02 -1.26 -4.53 115.26 104.76 2kgk n ASN 134 Ca -0.01 0.04 -0.18 0.00 -0.03 0.00 0.00 54.58 54.41 2kgk n ASN 134 Cb 0.32 -0.04 -0.10 0.00 -0.61 0.00 0.00 39.78 39.34 2kgk n ASN 134 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2kgk s TRP 135 N -1.95 1.63 -0.07 3.10 0.52 -1.02 -4.90 118.94 116.26 2kgk s TRP 135 Ca 0.00 -0.95 0.03 0.00 0.02 0.00 0.00 56.10 55.20 2kgk s TRP 135 Cb 0.00 -0.97 0.01 0.00 -1.15 0.00 0.00 33.47 31.36 2kgk s TRP 135 CO 0.00 -0.05 -0.14 0.21 0.02 0.00 0.00 176.95 176.98 2kgk s LYS 136 N -3.88 1.92 -0.65 4.98 2.36 -1.04 -4.97 119.74 118.46 2kgk s LYS 136 Ca 0.31 -0.50 -0.27 0.00 -2.55 0.00 0.00 55.97 52.95 2kgk s LYS 136 Cb 0.06 -1.56 0.02 0.00 -1.05 0.00 0.00 37.83 35.31 2kgk s LYS 136 CO 0.10 0.07 1.39 -2.00 1.55 0.00 0.00 175.35 176.45 2kgk s GLU 137 N 0.57 3.19 0.07 4.03 2.12 -1.26 -1.57 118.70 125.84 2kgk s GLU 137 Ca -0.15 0.14 0.23 0.00 0.36 0.00 0.00 54.97 55.56 2kgk s GLU 137 Cb -0.16 -4.17 0.17 0.00 0.26 0.00 0.00 34.13 30.23 2kgk s GLU 137 CO 0.05 -2.11 1.14 1.55 -0.54 0.00 0.00 175.26 175.35 2kgk n VAL 138 N 6.67 0.21 -3.60 3.70 3.14 -0.78 -4.96 118.33 122.71 2kgk n VAL 138 Ca 0.09 -0.23 -0.09 0.00 -2.96 0.00 0.00 64.34 61.14 2kgk n VAL 138 Cb 0.49 0.12 -0.06 0.00 -1.06 0.00 0.00 33.84 33.33 2kgk n VAL 138 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 2kgk s PHE 139 N -3.17 -0.36 0.01 1.45 5.36 -1.18 -5.03 117.98 115.05 2kgk s PHE 139 Ca 0.05 0.72 -0.01 0.00 -0.96 0.00 0.00 56.93 56.73 2kgk s PHE 139 Cb 0.14 0.43 -0.01 0.00 -0.34 0.00 0.00 43.02 43.24 2kgk s PHE 139 CO 0.77 -0.27 0.00 0.54 -1.46 0.00 0.00 175.22 174.80 2kgk s VAL 140 N -0.66 0.05 0.07 3.12 0.11 -1.26 0.64 120.40 122.47 2kgk s VAL 140 Ca 0.01 -0.42 0.01 0.00 -2.93 0.00 0.00 61.98 58.65 2kgk s VAL 140 Cb -0.02 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.65 2kgk s VAL 140 CO -0.02 -0.23 -0.05 -0.70 -3.33 0.00 0.00 175.10 170.76 2kgk s GLU 141 N -0.68 0.66 0.34 1.54 2.56 0.61 -4.99 118.70 118.75 2kgk s GLU 141 Ca -0.07 -1.13 0.09 0.00 0.00 0.00 0.00 54.97 53.85 2kgk s GLU 141 Cb -0.05 -0.07 -0.05 0.00 2.00 0.00 0.00 34.13 35.96 2kgk s GLU 141 CO -0.00 -0.04 0.04 -1.59 -0.56 0.00 0.00 175.26 173.11 2kgk s LYS 142 N -3.23 2.14 0.00 4.30 0.00 -1.26 0.17 119.74 121.87 2kgk s LYS 142 Ca 0.04 -1.70 0.00 0.00 0.00 0.00 0.00 55.97 54.31 2kgk s LYS 142 Cb 0.02 -1.98 0.00 0.00 0.00 0.00 0.00 37.83 35.87 2kgk s LYS 142 CO -0.05 0.13 0.00 0.41 0.00 0.00 0.00 175.35 175.84 2kgk n GLY 143 N -1.00 5.19 1.15 0.59 0.00 -0.57 -4.78 105.19 105.77 2kgk n GLY 143 Ca -0.04 -1.62 -0.02 0.00 0.00 0.00 0.00 46.02 44.34 2kgk n GLY 143 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kgk n LEU 144 N 0.00 0.00 -4.33 0.99 7.94 -1.26 -4.87 117.00 115.48 2kgk n LEU 144 Ca 0.00 -0.61 -0.21 0.00 -1.11 0.00 0.00 56.01 54.08 2kgk n LEU 144 Cb 0.00 1.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.84 2kgk n LEU 144 CO 0.00 -0.20 -0.48 0.28 -1.11 0.00 0.00 177.39 175.88 2kgk s THR 145 N -2.57 1.78 0.00 1.96 -1.32 -1.24 -4.38 115.64 109.86 2kgk s THR 145 Ca 0.06 -1.93 0.00 0.00 -1.21 0.00 0.00 61.69 58.61 2kgk s THR 145 Cb -0.01 -1.84 0.00 0.00 -1.51 0.00 0.00 72.50 69.14 2kgk s THR 145 CO 0.03 -0.35 0.00 0.47 -2.21 0.00 0.00 174.62 172.56 2kgk n ASP 146 N 0.25 0.54 0.05 8.08 8.00 -0.89 -4.95 116.55 127.63 2kgk n ASP 146 Ca -0.13 -0.70 -0.22 0.00 0.71 0.00 0.00 54.79 54.46 2kgk n ASP 146 Cb 0.57 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.53 2kgk n ASP 146 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2kgk h GLU 147 N 0.00 0.33 -0.59 -1.24 5.08 -2.01 -2.99 114.58 113.16 2kgk h GLU 147 Ca 0.00 -0.56 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 2kgk h GLU 147 Cb 0.00 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2kgk h GLU 147 CO 0.00 1.27 0.00 0.36 -1.00 0.00 0.00 179.01 179.64 2kgk n LYS 148 N -3.94 1.56 -2.69 2.33 2.85 -1.26 -4.25 118.16 112.76 2kgk n LYS 148 Ca -0.19 -0.55 -0.05 0.00 -1.05 0.00 0.00 58.31 56.47 2kgk n LYS 148 Cb 0.92 -1.42 0.06 0.00 -0.65 0.00 0.00 35.03 33.94 2kgk n LYS 148 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 2kgk n ASN 149 N 0.03 -1.79 -4.58 -5.58 0.23 -1.23 -4.87 115.26 97.47 2kgk n ASN 149 Ca 0.05 -1.97 -0.32 0.00 -0.53 0.00 0.00 54.58 51.81 2kgk n ASN 149 Cb 0.30 1.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.95 2kgk n ASN 149 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2kgk s PRO 150 N 0.46 2.87 -0.12 -0.53 0.04 -1.13 -2.10 135.00 134.50 2kgk s PRO 150 Ca 0.27 -1.21 -0.30 0.00 0.04 0.00 0.00 61.00 59.80 2kgk s PRO 150 Cb 0.18 -5.28 0.12 0.00 0.04 0.00 0.00 34.50 29.56 2kgk s PRO 150 CO -0.12 -3.44 0.98 0.71 0.04 0.00 0.00 177.00 175.17 2kgk s TYR 151 N 9.14 -0.36 -0.06 0.56 2.02 -1.26 -4.99 117.35 122.40 2kgk s TYR 151 Ca 0.64 0.51 0.02 0.00 -0.37 0.00 0.00 57.07 57.88 2kgk s TYR 151 Cb -0.01 0.47 -0.03 0.00 -0.40 0.00 0.00 41.96 42.00 2kgk s TYR 151 CO 0.09 -0.39 -0.10 0.99 -1.57 0.00 0.00 175.55 174.57 2kgk s THR 152 N -1.65 3.44 0.20 -0.71 2.01 -1.26 -3.71 115.64 113.95 2kgk s THR 152 Ca 0.00 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.45 2kgk s THR 152 Cb -0.01 -2.39 -0.05 0.00 0.01 0.00 0.00 72.50 70.07 2kgk s THR 152 CO -0.01 0.59 0.00 -0.72 -0.69 0.00 0.00 174.62 173.80 2kgk s TYR 153 N -0.73 1.34 -0.01 4.92 -0.85 -1.26 -2.43 117.35 118.33 2kgk s TYR 153 Ca 0.11 -0.99 0.02 0.00 -0.52 0.00 0.00 57.07 55.69 2kgk s TYR 153 Cb -0.11 -0.77 -0.00 0.00 0.38 0.00 0.00 41.96 41.46 2kgk s TYR 153 CO 0.01 -0.16 -0.06 0.71 -1.52 0.00 0.00 175.55 174.53 2kgk s TYR 154 N -3.58 0.55 -0.02 -3.49 1.51 -0.52 -1.51 117.35 110.30 2kgk s TYR 154 Ca 0.26 -0.11 -0.05 0.00 -1.01 0.00 0.00 57.07 56.17 2kgk s TYR 154 Cb 0.06 -0.36 -0.04 0.00 -0.11 0.00 0.00 41.96 41.50 2kgk s TYR 154 CO 0.06 -0.02 0.21 0.71 -1.11 0.00 0.00 175.55 175.40 2kgk s TYR 155 N -0.09 3.57 -0.00 2.71 1.51 0.45 -0.01 117.35 125.48 2kgk s TYR 155 Ca 0.02 0.46 0.03 0.00 -1.01 0.00 0.00 57.07 56.57 2kgk s TYR 155 Cb -0.03 -1.91 -0.01 0.00 -0.11 0.00 0.00 41.96 39.91 2kgk s TYR 155 CO -0.00 0.64 -0.10 -1.01 -1.11 0.00 0.00 175.55 173.97 2kgk s HIS 156 N -1.28 0.91 -0.27 2.71 3.76 -0.23 -0.28 115.29 120.60 2kgk s HIS 156 Ca 0.26 -0.19 -0.00 0.00 -0.15 0.00 0.00 55.06 54.98 2kgk s HIS 156 Cb -0.13 -0.58 0.05 0.00 1.11 0.00 0.00 32.58 33.03 2kgk s HIS 156 CO 0.16 -0.01 -0.05 0.08 -0.85 0.00 0.00 174.74 174.06 2kgk s VAL 157 N -0.30 2.67 -0.06 -0.90 1.01 0.21 -1.84 120.40 121.18 2kgk s VAL 157 Ca 0.03 -1.39 -0.03 0.00 0.00 0.00 0.00 61.98 60.60 2kgk s VAL 157 Cb -0.04 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 2kgk s VAL 157 CO -0.00 -0.00 0.07 -0.31 0.00 0.00 0.00 175.10 174.85 2kgk s TYR 158 N 1.22 3.33 0.07 5.22 1.51 0.15 -1.86 117.35 126.99 2kgk s TYR 158 Ca -0.05 0.29 0.05 0.00 -1.01 0.00 0.00 57.07 56.34 2kgk s TYR 158 Cb -0.19 -1.81 -0.03 0.00 -0.11 0.00 0.00 41.96 39.82 2kgk s TYR 158 CO -0.03 0.57 -0.13 -1.21 -1.11 0.00 0.00 175.55 173.64 2kgk s GLU 159 N -1.24 0.80 0.35 -0.62 2.02 -0.61 -0.24 118.70 119.15 2kgk s GLU 159 Ca 0.17 -0.98 -0.02 0.00 0.02 0.00 0.00 54.97 54.16 2kgk s GLU 159 Cb -0.12 -0.72 0.07 0.00 0.10 0.00 0.00 34.13 33.47 2kgk s GLU 159 CO 0.07 0.15 0.47 1.63 0.02 0.00 0.00 175.26 177.60 2kgk n LYS 160 N 1.14 0.02 -0.32 1.61 4.76 -0.72 -2.50 118.16 122.16 2kgk n LYS 160 Ca -0.20 -1.07 0.00 0.00 -2.87 0.00 0.00 58.31 54.17 2kgk n LYS 160 Cb 0.55 -0.38 0.00 0.00 -1.84 0.00 0.00 35.03 33.36 2kgk n LYS 160 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kgk n GLN 161 N -1.93 0.00 0.00 1.97 0.00 -1.26 -4.92 117.38 111.24 2kgk n GLN 161 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 57.00 56.83 2kgk n GLN 161 Cb 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 30.24 30.34 2kgk n GLN 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06