#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 0.60 -0.19 1.12 1.01 -0.97 -5.01 121.20 117.76 2kgk s ILE 2 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.37 2kgk s ILE 2 Cb 0.00 -0.53 0.03 0.00 0.01 0.00 0.00 42.46 41.97 2kgk s ILE 2 CO 0.00 0.18 -0.19 -0.69 0.00 0.00 0.00 174.94 174.25 2kgk s VAL 3 N 0.05 2.05 0.16 2.92 1.01 -1.26 -1.99 120.40 123.34 2kgk s VAL 3 Ca -0.00 -1.01 0.09 0.00 0.00 0.00 0.00 61.98 61.05 2kgk s VAL 3 Cb -0.06 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 2kgk s VAL 3 CO -0.00 0.47 -0.11 -0.94 0.00 0.00 0.00 175.10 174.51 2kgk s SER 4 N 1.28 4.19 -0.07 3.32 1.04 -0.15 0.08 113.70 123.39 2kgk s SER 4 Ca 0.03 -0.56 0.02 0.00 0.48 0.00 0.00 55.95 55.92 2kgk s SER 4 Cb -0.14 -0.69 0.02 0.00 0.10 0.00 0.00 66.02 65.30 2kgk s SER 4 CO -0.12 0.13 -0.10 0.12 0.98 0.00 0.00 173.24 174.24 2kgk s PHE 5 N -1.55 1.34 -0.24 5.02 2.19 -0.03 0.01 117.98 124.72 2kgk s PHE 5 Ca 0.23 -0.51 0.02 0.00 0.33 0.00 0.00 56.93 57.00 2kgk s PHE 5 Cb -0.09 -1.03 0.05 0.00 -1.31 0.00 0.00 43.02 40.64 2kgk s PHE 5 CO 0.14 -0.30 -0.13 -1.64 1.83 0.00 0.00 175.22 175.12 2kgk s MET 6 N 0.87 2.48 -0.01 10.12 -1.94 -0.85 -1.09 119.30 128.87 2kgk s MET 6 Ca -0.11 -1.19 -0.05 0.00 -1.71 0.00 0.00 55.69 52.63 2kgk s MET 6 Cb -0.15 -2.80 0.00 0.00 2.01 0.00 0.00 34.83 33.89 2kgk s MET 6 CO 0.01 -0.46 0.11 0.54 -0.01 0.00 0.00 175.02 175.21 2kgk s VAL 7 N 1.16 0.06 0.47 -6.03 0.11 -1.02 -4.61 120.40 110.55 2kgk s VAL 7 Ca -0.05 -0.50 -0.03 0.00 -2.93 0.00 0.00 61.98 58.47 2kgk s VAL 7 Cb -0.18 -0.32 -0.02 0.00 -1.53 0.00 0.00 36.38 34.33 2kgk s VAL 7 CO -0.07 -0.28 0.74 0.00 -3.33 0.00 0.00 175.10 172.16 2kgk s ALA 8 N -0.92 3.53 -0.02 1.54 0.00 -1.26 -1.96 121.76 122.67 2kgk s ALA 8 Ca -0.10 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.09 2kgk s ALA 8 Cb -0.06 -2.38 0.03 0.00 0.00 0.00 0.00 23.12 20.71 2kgk s ALA 8 CO 0.01 -0.39 0.02 1.41 0.00 0.00 0.00 175.76 176.80 2kgk s MET 9 N -4.67 0.03 -0.22 0.00 1.75 0.99 -4.54 119.30 112.63 2kgk s MET 9 Ca 0.48 0.14 -0.10 0.00 -1.25 0.00 0.00 55.69 54.96 2kgk s MET 9 Cb -0.10 -0.26 -0.05 0.00 2.84 0.00 0.00 34.83 37.26 2kgk s MET 9 CO 0.41 -0.14 0.13 -0.51 -0.65 0.00 0.00 175.02 174.26 2kgk s ASP 10 N 0.92 5.95 0.67 1.11 1.01 -0.59 -0.13 116.67 125.61 2kgk s ASP 10 Ca -0.08 0.10 0.36 0.00 0.71 0.00 0.00 52.55 53.64 2kgk s ASP 10 Cb -0.11 -2.06 1.98 0.00 1.01 0.00 0.00 42.92 43.73 2kgk s ASP 10 CO -0.02 0.10 2.12 1.05 0.21 0.00 0.00 175.17 178.62 2kgk h GLU 11 N 7.29 0.00 0.00 8.23 4.11 -1.78 -1.56 114.58 130.87 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 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2kgk h GLU 11 CO 0.67 0.00 -0.01 0.09 0.07 0.00 0.00 179.01 179.83 2kgk n ASN 12 N -3.00 0.05 0.00 3.06 3.02 -1.26 -5.01 115.26 112.12 2kgk n ASN 12 Ca -0.02 -0.48 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 2kgk n ASN 12 Cb 0.25 0.97 0.00 0.00 -0.61 0.00 0.00 39.78 40.39 2kgk n ASN 12 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kgk n ARG 13 N -0.97 0.00 0.12 3.52 1.74 -0.59 -4.50 116.66 115.98 2kgk n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2kgk n ARG 13 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2kgk n ARG 13 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2kgk n VAL 14 N 0.00 0.27 0.13 1.55 0.31 0.19 -2.56 118.33 118.22 2kgk n VAL 14 Ca 0.00 0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 2kgk n VAL 14 Cb 0.00 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 2kgk n VAL 14 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2kgk n ILE 15 N -3.47 0.00 -3.44 2.52 -5.35 -1.14 -1.54 119.36 106.93 2kgk n ILE 15 Ca 0.00 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.45 2kgk n ILE 15 Cb 0.00 -0.36 0.01 0.00 -1.74 0.00 0.00 39.64 37.55 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 1.22 1.38 0.09 3.28 0.00 -1.26 -4.60 105.19 105.30 2kgk n GLY 16 Ca 0.00 -1.10 0.03 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.27 0.63 0.00 1.61 2.85 -0.82 -1.73 118.16 120.43 2kgk n LYS 17 Ca -0.03 0.14 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 2kgk n LYS 17 Cb 0.28 -1.76 0.00 0.00 -0.65 0.00 0.00 35.03 32.89 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 -2.76 0.00 0.22 -5.58 8.00 -1.26 -4.33 116.55 110.84 2kgk n ASP 18 Ca -0.09 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.55 2kgk n ASP 18 Cb 0.77 0.00 0.70 0.00 -0.02 0.00 0.00 41.12 42.57 2kgk n ASP 18 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 2kgk h ASN 19 N 0.00 0.00 0.00 -2.24 4.21 -1.96 -3.45 115.58 112.14 2kgk h ASN 19 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2kgk h ASN 19 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 2kgk h ASN 19 CO 0.00 0.00 0.00 -0.46 -1.29 0.00 0.00 177.43 175.68 2kgk n ASN 20 N -2.46 0.00 0.00 5.81 2.04 -1.26 -4.90 115.26 114.49 2kgk n ASN 20 Ca -0.02 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.12 2kgk n ASN 20 Cb 0.15 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.40 2kgk n ASN 20 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71 2kgk n LEU 21 N 0.00 0.00 -4.80 -4.53 -0.00 -1.26 -1.94 117.00 104.48 2kgk n LEU 21 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.72 2kgk n LEU 21 Cb 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 43.42 43.55 2kgk n LEU 21 CO 0.00 0.00 0.72 -2.16 -0.00 0.00 0.00 177.39 175.95 2kgk s PRO 22 N 0.00 1.19 -0.40 1.96 0.04 -1.26 -5.04 135.00 131.49 2kgk s PRO 22 Ca 0.00 0.26 0.03 0.00 0.04 0.00 0.00 61.00 61.33 2kgk s PRO 22 Cb 0.00 -1.85 0.16 0.00 0.04 0.00 0.00 34.50 32.85 2kgk s PRO 22 CO 0.00 -2.16 0.32 -1.58 0.04 0.00 0.00 177.00 173.62 2kgk s TRP 23 N -3.31 0.80 0.65 0.56 0.51 -1.26 -5.13 118.94 111.76 2kgk s TRP 23 Ca 0.64 -1.98 -0.11 0.00 -2.12 0.00 0.00 56.10 52.52 2kgk s TRP 23 Cb -0.14 -0.83 0.16 0.00 -0.81 0.00 0.00 33.47 31.85 2kgk s TRP 23 CO 0.53 -0.86 0.67 2.89 -0.51 0.00 0.00 176.95 179.67 2kgk n ARG 24 N 3.25 -1.75 -2.49 4.98 0.00 -1.26 -4.59 116.66 114.80 2kgk n ARG 24 Ca 0.24 -1.05 -0.39 0.00 -0.00 0.00 0.00 57.85 56.65 2kgk n ARG 24 Cb 0.45 -0.88 -0.04 0.00 -0.00 0.00 0.00 32.46 31.99 2kgk n ARG 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2kgk s LEU 25 N 0.00 4.36 0.59 2.89 1.02 -1.26 -4.75 118.68 121.53 2kgk s LEU 25 Ca 0.41 2.18 0.31 0.00 0.02 0.00 0.00 54.13 57.05 2kgk s LEU 25 Cb -0.03 -3.89 1.86 0.00 0.02 0.00 0.00 46.19 44.15 2kgk s LEU 25 CO 0.31 -0.33 2.26 1.55 0.02 0.00 0.00 176.35 180.16 2kgk h PRO 26 N 3.18 0.00 0.09 1.29 0.13 -1.94 -1.13 132.00 133.62 2kgk h PRO 26 Ca -0.47 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.39 2kgk h PRO 26 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2kgk h PRO 26 CO 0.65 0.00 -1.27 0.66 -0.23 0.00 0.00 178.00 177.81 2kgk h SER 27 N 0.00 0.31 -0.56 1.44 4.64 -1.99 -3.10 113.55 114.29 2kgk h SER 27 Ca -0.00 -0.36 -0.02 0.00 -0.47 0.00 0.00 61.79 60.94 2kgk h SER 27 Cb 0.01 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 2kgk h SER 27 CO 0.00 1.29 0.27 -0.08 -0.87 0.00 0.00 176.83 177.44 2kgk h GLU 28 N 0.05 0.80 0.00 4.77 4.22 -1.59 0.70 114.58 123.53 2kgk h GLU 28 Ca -0.14 -0.11 -0.02 0.00 0.08 0.00 0.00 59.36 59.17 2kgk h GLU 28 Cb 1.94 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 31.04 2kgk h GLU 28 CO 0.17 0.65 -0.08 1.37 -2.18 0.00 0.00 179.01 178.94 2kgk h LEU 29 N 0.75 0.00 0.09 1.64 8.10 -1.57 -2.34 115.31 121.99 2kgk h LEU 29 Ca 0.19 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 58.06 2kgk h LEU 29 Cb 0.11 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.34 2kgk h LEU 29 CO -0.03 0.08 -0.55 1.56 -4.11 0.00 0.00 178.44 175.40 2kgk h GLN 30 N 0.00 0.21 0.28 0.17 4.20 -1.20 -2.32 115.11 116.44 2kgk h GLN 30 Ca -0.00 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 2kgk h GLN 30 Cb 0.52 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 2kgk h GLN 30 CO 0.01 1.16 -0.17 -0.92 -0.67 0.00 0.00 178.83 178.24 2kgk h TYR 31 N -0.56 -0.43 0.06 2.96 3.20 -0.76 -1.10 116.97 120.34 2kgk h TYR 31 Ca -0.09 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.77 2kgk h TYR 31 Cb 1.42 0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.85 2kgk h TYR 31 CO 0.22 -0.26 -0.03 -0.24 -1.64 0.00 0.00 178.16 176.21 2kgk h VAL 32 N -0.43 0.94 -0.78 1.81 3.04 -1.57 -1.45 116.25 117.82 2kgk h VAL 32 Ca -0.03 -0.01 0.17 0.00 -1.01 0.00 0.00 66.70 65.82 2kgk h VAL 32 Cb 0.35 0.95 -0.11 0.00 -2.01 0.00 0.00 31.29 30.47 2kgk h VAL 32 CO 0.03 0.00 0.25 0.50 -1.01 0.00 0.00 177.57 177.34 2kgk h LYS 33 N -0.09 0.32 0.00 4.17 1.63 -1.30 0.77 116.57 122.07 2kgk h LYS 33 Ca -0.01 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 2kgk h LYS 33 Cb 0.07 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.62 2kgk h LYS 33 CO 0.01 0.21 -0.11 -0.22 -3.45 0.00 0.00 179.45 175.90 2kgk h LYS 34 N 0.33 0.00 0.00 1.90 3.64 -0.80 0.17 116.57 121.81 2kgk h LYS 34 Ca 0.45 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.79 2kgk h LYS 34 Cb 0.78 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 2kgk h LYS 34 CO -0.50 0.11 -0.99 0.00 -2.27 0.00 0.00 179.45 175.79 2kgk h THR 35 N 0.00 0.15 -0.01 1.00 1.03 0.14 -3.33 112.91 111.89 2kgk h THR 35 Ca -0.00 -1.29 0.00 0.00 -0.01 0.00 0.00 66.41 65.11 2kgk h THR 35 Cb 0.59 1.71 0.00 0.00 -1.07 0.00 0.00 68.15 69.38 2kgk h THR 35 CO 0.01 0.09 -0.25 1.07 -0.01 0.00 0.00 175.52 176.43 2kgk n THR 36 N -2.79 0.00 -1.69 0.00 5.66 0.11 -4.98 114.28 110.59 2kgk n THR 36 Ca -0.02 -0.38 -0.43 0.00 -3.05 0.00 0.00 64.05 60.17 2kgk n THR 36 Cb 0.63 1.23 -0.03 0.00 -1.55 0.00 0.00 70.33 70.60 2kgk n THR 36 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 175.07 173.17 2kgk n MET 37 N 0.13 2.62 -2.94 1.09 3.85 0.56 -3.50 117.12 118.93 2kgk n MET 37 Ca 0.07 0.95 -0.12 0.00 -1.00 0.00 0.00 57.70 57.60 2kgk n MET 37 Cb 0.35 -2.80 0.01 0.00 -1.05 0.00 0.00 33.22 29.74 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 4.00 -1.20 3.50 3.17 0.00 0.07 -4.96 105.19 109.77 2kgk n GLY 38 Ca 0.17 1.22 -0.10 0.00 0.00 0.00 0.00 46.02 47.32 2kgk n GLY 38 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kgk s HIS 39 N -2.41 -0.40 -0.71 1.61 3.76 -1.23 -5.03 115.29 110.89 2kgk s HIS 39 Ca 0.26 0.35 -0.26 0.00 -0.15 0.00 0.00 55.06 55.26 2kgk s HIS 39 Cb -0.06 0.52 -0.00 0.00 1.11 0.00 0.00 32.58 34.14 2kgk s HIS 39 CO 0.78 -0.56 1.67 -1.25 -0.85 0.00 0.00 174.74 174.53 2kgk s PRO 40 N -2.80 2.85 -0.14 8.40 0.04 -1.26 -4.45 135.00 137.64 2kgk s PRO 40 Ca 0.02 0.13 0.02 0.00 0.04 0.00 0.00 61.00 61.21 2kgk s PRO 40 Cb -0.01 -4.48 0.01 0.00 0.04 0.00 0.00 34.50 30.06 2kgk s PRO 40 CO -0.07 -2.61 -0.21 -0.51 0.04 0.00 0.00 177.00 173.65 2kgk s LEU 41 N 7.94 2.18 -0.35 -3.56 1.02 -1.07 -2.49 118.68 122.36 2kgk s LEU 41 Ca 0.57 -0.57 -0.16 0.00 0.02 0.00 0.00 54.13 53.98 2kgk s LEU 41 Cb -0.10 -1.46 -0.01 0.00 0.02 0.00 0.00 46.19 44.64 2kgk s LEU 41 CO 0.14 0.09 0.42 -0.63 0.02 0.00 0.00 176.35 176.39 2kgk s ILE 42 N 0.75 5.11 0.39 -0.59 1.09 -0.94 -0.69 121.20 126.32 2kgk s ILE 42 Ca -0.08 0.09 0.08 0.00 -1.10 0.00 0.00 60.65 59.64 2kgk s ILE 42 Cb -0.16 -3.89 -0.03 0.00 -1.06 0.00 0.00 42.46 37.32 2kgk s ILE 42 CO -0.00 -0.17 0.32 -0.32 -0.10 0.00 0.00 174.94 174.67 2kgk s MET 43 N 2.15 2.56 0.58 2.79 1.75 -0.51 -0.32 119.30 128.30 2kgk s MET 43 Ca 0.14 -1.49 -0.07 0.00 -1.25 0.00 0.00 55.69 53.03 2kgk s MET 43 Cb -0.16 -2.37 -0.01 0.00 2.84 0.00 0.00 34.83 35.14 2kgk s MET 43 CO 0.12 -0.08 0.91 0.20 -0.65 0.00 0.00 175.02 175.52 2kgk s GLY 44 N -4.06 1.59 0.00 2.11 0.00 -0.40 -2.39 107.32 104.17 2kgk s GLY 44 Ca 0.45 -0.56 -0.24 0.00 0.00 0.00 0.00 44.72 44.37 2kgk s GLY 44 CO 0.27 -0.30 1.05 -0.09 0.00 0.00 0.00 173.10 174.03 2kgk h ARG 45 N -0.15 -0.68 -0.19 2.90 2.43 -1.88 -1.03 114.38 115.78 2kgk h ARG 45 Ca -0.46 0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 58.73 2kgk h ARG 45 Cb 1.24 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.93 2kgk h ARG 45 CO 0.61 -0.39 -0.03 1.57 -1.51 0.00 0.00 179.97 180.23 2kgk h LYS 46 N -1.08 0.27 0.00 0.20 2.10 -1.95 -0.88 116.57 115.22 2kgk h LYS 46 Ca -0.07 -0.04 -0.06 0.00 -2.00 0.00 0.00 60.65 58.47 2kgk h LYS 46 Cb 0.61 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.88 2kgk h LYS 46 CO 0.12 0.32 -0.29 -0.97 -2.00 0.00 0.00 179.45 176.63 2kgk h ASN 47 N 0.27 0.00 0.34 7.07 -0.00 -1.85 -1.91 115.58 119.50 2kgk h ASN 47 Ca 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.34 2kgk h ASN 47 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.55 2kgk h ASN 47 CO 0.01 0.29 -0.16 0.22 -0.00 0.00 0.00 177.43 177.79 2kgk h TYR 48 N 0.00 -0.42 0.00 0.67 3.20 0.22 0.08 116.97 120.72 2kgk h TYR 48 Ca -0.00 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2kgk h TYR 48 Cb 0.62 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 39.03 2kgk h TYR 48 CO 0.00 -0.13 -0.01 1.05 -1.64 0.00 0.00 178.16 177.43 2kgk h GLU 49 N -1.02 0.00 0.10 1.82 4.11 -1.48 -0.01 114.58 118.11 2kgk h GLU 49 Ca -0.05 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.23 2kgk h GLU 49 Cb 0.49 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.75 2kgk h GLU 49 CO 0.08 0.01 -0.68 0.00 0.07 0.00 0.00 179.01 178.48 2kgk h ALA 50 N 1.99 -0.04 0.03 1.06 0.00 -1.30 -3.35 119.26 117.66 2kgk h ALA 50 Ca -0.00 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 2kgk h ALA 50 Cb 0.03 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2kgk h ALA 50 CO 0.00 0.33 -0.02 0.82 0.00 0.00 0.00 179.25 180.39 2kgk h ILE 51 N -0.53 1.11 0.00 0.00 5.03 -0.29 -3.43 117.51 119.41 2kgk h ILE 51 Ca -0.13 -0.47 0.00 0.00 -0.12 0.00 0.00 64.86 64.15 2kgk h ILE 51 Cb 1.50 1.43 0.00 0.00 -3.03 0.00 0.00 36.82 36.71 2kgk h ILE 51 CO 0.10 0.12 0.00 0.61 -0.68 0.00 0.00 178.15 178.30 2kgk n GLY 52 N -0.56 -0.06 2.56 5.37 0.00 -0.08 -4.98 105.19 107.43 2kgk n GLY 52 Ca -0.08 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 0.83 -2.36 1.61 0.63 -1.26 -4.41 116.66 111.69 2kgk n ARG 53 Ca 0.00 -2.28 -0.32 0.00 -0.92 0.00 0.00 57.85 54.32 2kgk n ARG 53 Cb 0.00 -1.35 -0.03 0.00 0.45 0.00 0.00 32.46 31.53 2kgk n ARG 53 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2kgk s PRO 54 N -0.13 3.85 0.00 -0.14 0.04 -1.26 -4.85 135.00 132.51 2kgk s PRO 54 Ca 0.32 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.38 2kgk s PRO 54 Cb 0.24 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2kgk s PRO 54 CO -0.16 -0.36 0.00 -0.11 0.04 0.00 0.00 177.00 176.41 2kgk n LEU 55 N -1.59 0.00 -4.56 -3.56 -0.00 -1.26 -4.58 117.00 101.45 2kgk n LEU 55 Ca 0.07 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.78 2kgk n LEU 55 Cb 0.54 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.91 2kgk n LEU 55 CO 0.46 0.00 1.41 -2.16 -0.00 0.00 0.00 177.39 177.10 2kgk s PRO 56 N 0.00 2.77 0.00 1.96 0.04 -1.26 -2.29 135.00 136.22 2kgk s PRO 56 Ca 0.00 -0.61 0.00 0.00 0.04 0.00 0.00 61.00 60.43 2kgk s PRO 56 Cb 0.00 -5.16 0.00 0.00 0.04 0.00 0.00 34.50 29.38 2kgk s PRO 56 CO 0.00 -3.22 0.00 0.41 0.04 0.00 0.00 177.00 174.23 2kgk n GLY 57 N 6.67 0.91 0.96 0.56 0.00 -1.26 -4.94 105.19 108.09 2kgk n GLY 57 Ca 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.11 0.03 -3.02 1.61 3.00 -0.97 -0.75 116.66 114.46 2kgk n ARG 58 Ca 0.00 0.01 -0.06 0.00 -0.01 0.00 0.00 57.85 57.79 2kgk n ARG 58 Cb 0.00 -0.56 0.01 0.00 0.00 0.00 0.00 32.46 31.91 2kgk n ARG 58 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2kgk n ARG 59 N -3.26 -1.83 -4.71 5.56 0.63 -1.05 -3.71 116.66 108.29 2kgk n ARG 59 Ca -0.02 1.75 -0.33 0.00 -0.92 0.00 0.00 57.85 58.32 2kgk n ARG 59 Cb 0.34 -5.43 -0.14 0.00 0.45 0.00 0.00 32.46 27.68 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 -2.76 4.20 -0.29 6.15 0.01 -1.26 -2.59 114.94 118.40 2kgk s ASN 60 Ca 0.13 -0.26 -0.07 0.00 -0.71 0.00 0.00 52.86 51.95 2kgk s ASN 60 Cb -0.03 -1.56 0.01 0.00 0.41 0.00 0.00 41.25 40.08 2kgk s ASN 60 CO 0.77 0.19 0.08 -0.63 -1.51 0.00 0.00 177.10 176.00 2kgk s ILE 61 N 0.20 3.97 0.17 0.60 1.09 0.13 -2.60 121.20 124.76 2kgk s ILE 61 Ca -0.07 -0.66 -0.27 0.00 -1.10 0.00 0.00 60.65 58.56 2kgk s ILE 61 Cb -0.15 -3.03 -0.08 0.00 -1.06 0.00 0.00 42.46 38.15 2kgk s ILE 61 CO 0.05 0.10 0.82 0.27 -0.10 0.00 0.00 174.94 176.08 2kgk s ILE 62 N 1.51 4.35 -0.27 2.92 -4.36 0.18 -1.42 121.20 124.11 2kgk s ILE 62 Ca 0.03 1.80 -0.13 0.00 -0.26 0.00 0.00 60.65 62.08 2kgk s ILE 62 Cb -0.17 -4.19 -0.04 0.00 1.25 0.00 0.00 42.46 39.31 2kgk s ILE 62 CO 0.02 0.49 0.30 -0.69 0.24 0.00 0.00 174.94 175.30 2kgk s VAL 63 N -0.97 5.23 -0.13 8.37 1.01 -1.01 -1.49 120.40 131.41 2kgk s VAL 63 Ca 0.38 0.42 -0.06 0.00 0.00 0.00 0.00 61.98 62.72 2kgk s VAL 63 Cb -0.23 -3.63 0.05 0.00 0.00 0.00 0.00 36.38 32.57 2kgk s VAL 63 CO 0.27 0.21 0.30 0.28 0.00 0.00 0.00 175.10 176.15 2kgk s THR 64 N 1.86 -0.10 -0.55 3.92 -1.32 -0.56 -4.02 115.64 114.87 2kgk s THR 64 Ca 0.12 0.15 -0.28 0.00 -1.21 0.00 0.00 61.69 60.47 2kgk s THR 64 Cb -0.16 -0.46 0.03 0.00 -1.51 0.00 0.00 72.50 70.41 2kgk s THR 64 CO 0.10 0.06 1.16 0.00 -2.21 0.00 0.00 174.62 173.73 2kgk s ARG 65 N 1.48 3.55 0.00 7.08 1.70 -1.26 -4.32 118.95 127.17 2kgk s ARG 65 Ca -0.08 0.28 0.00 0.00 -0.47 0.00 0.00 55.73 55.46 2kgk s ARG 65 Cb -0.10 -3.99 0.00 0.00 -0.57 0.00 0.00 34.95 30.29 2kgk s ARG 65 CO -0.10 -1.59 0.00 0.09 -1.08 0.00 0.00 175.30 172.62 2kgk n ASN 66 N 8.21 0.00 -4.59 -2.89 3.02 -1.26 -5.03 115.26 112.71 2kgk n ASN 66 Ca 0.09 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.21 2kgk n ASN 66 Cb 0.49 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.63 2kgk n ASN 66 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2kgk s GLU 67 N 0.00 3.40 0.00 3.52 4.04 -1.26 -2.24 118.70 126.15 2kgk s GLU 67 Ca 0.00 1.06 0.00 0.00 0.04 0.00 0.00 54.97 56.07 2kgk s GLU 67 Cb 0.00 -4.12 0.00 0.00 0.02 0.00 0.00 34.13 30.03 2kgk s GLU 67 CO 0.00 -1.79 0.00 0.41 -1.84 0.00 0.00 175.26 172.04 2kgk n GLY 68 N 5.27 1.22 3.76 -3.83 0.00 -1.26 -5.10 105.19 105.26 2kgk n GLY 68 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 3.77 -0.09 1.61 5.04 -0.95 -5.06 117.35 119.67 2kgk s TYR 69 Ca 0.00 1.82 -0.08 0.00 -2.44 0.00 0.00 57.07 56.36 2kgk s TYR 69 Cb 0.00 -3.03 0.02 0.00 0.35 0.00 0.00 41.96 39.30 2kgk s TYR 69 CO 0.00 0.11 0.24 -1.01 -1.34 0.00 0.00 175.55 173.55 2kgk s HIS 70 N -1.34 -0.26 -0.20 4.97 3.76 -1.26 -4.89 115.29 116.07 2kgk s HIS 70 Ca 0.46 0.63 -0.03 0.00 -0.15 0.00 0.00 55.06 55.97 2kgk s HIS 70 Cb -0.25 0.09 0.06 0.00 1.11 0.00 0.00 32.58 33.59 2kgk s HIS 70 CO 0.31 -0.13 0.04 0.08 -0.85 0.00 0.00 174.74 174.19 2kgk s VAL 71 N 0.09 0.50 -0.24 -0.90 1.01 -1.26 -5.10 120.40 114.50 2kgk s VAL 71 Ca -0.00 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 2kgk s VAL 71 Cb -0.02 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 2kgk s VAL 71 CO 0.00 -0.24 1.90 -1.61 0.00 0.00 0.00 175.10 175.16 2kgk s GLU 72 N 1.86 3.43 0.00 2.72 0.41 -1.26 -1.87 118.70 123.99 2kgk s GLU 72 Ca -0.00 1.75 0.00 0.00 -0.41 0.00 0.00 54.97 56.31 2kgk s GLU 72 Cb -0.17 -4.22 0.00 0.00 -1.78 0.00 0.00 34.13 27.96 2kgk s GLU 72 CO -0.09 -1.75 0.00 0.41 -0.49 0.00 0.00 175.26 173.34 2kgk n GLY 73 N 5.31 2.03 3.10 -1.39 0.00 -1.26 -5.10 105.19 107.89 2kgk n GLY 73 Ca 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.33 4.35 -0.02 0.00 2.56 -1.07 -4.38 118.70 116.80 2kgk s GLU 75 Ca 0.01 0.85 -0.06 0.00 0.00 0.00 0.00 54.97 55.77 2kgk s GLU 75 Cb 0.03 -3.30 -0.04 0.00 2.00 0.00 0.00 34.13 32.82 2kgk s GLU 75 CO -0.08 0.46 0.23 0.54 -0.56 0.00 0.00 175.26 175.86 2kgk s VAL 76 N -0.58 5.36 0.05 3.70 0.11 -1.26 0.52 120.40 128.31 2kgk s VAL 76 Ca 0.32 0.14 -0.03 0.00 -2.93 0.00 0.00 61.98 59.49 2kgk s VAL 76 Cb -0.20 -3.53 -0.03 0.00 -1.53 0.00 0.00 36.38 31.09 2kgk s VAL 76 CO 0.20 0.42 0.02 0.00 -3.33 0.00 0.00 175.10 172.41 2kgk s ALA 77 N -1.24 0.30 1.06 1.54 0.00 -0.56 -4.91 121.76 117.96 2kgk s ALA 77 Ca 0.25 -1.01 -0.13 0.00 0.00 0.00 0.00 51.96 51.07 2kgk s ALA 77 Cb -0.13 0.30 0.18 0.00 0.00 0.00 0.00 23.12 23.48 2kgk s ALA 77 CO 0.14 -0.38 0.91 0.72 0.00 0.00 0.00 175.76 177.14 2kgk n HIS 78 N 0.21 -3.88 -0.31 0.00 8.25 -1.26 -1.49 115.22 116.74 2kgk n HIS 78 Ca -0.15 -0.81 -0.21 0.00 -0.26 0.00 0.00 57.72 56.29 2kgk n HIS 78 Cb 0.61 -0.77 0.20 0.00 1.12 0.00 0.00 29.99 31.15 2kgk n HIS 78 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kgk n SER 79 N -3.88 -3.48 0.30 0.41 2.88 -1.26 -4.31 113.62 104.28 2kgk n SER 79 Ca 0.12 -0.61 0.19 0.00 -1.33 0.00 0.00 58.87 57.24 2kgk n SER 79 Cb 0.42 -0.79 1.00 0.00 -0.75 0.00 0.00 64.21 64.09 2kgk n SER 79 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 2kgk h VAL 80 N -3.12 0.16 -0.57 2.46 3.04 -1.98 -1.08 116.25 115.14 2kgk h VAL 80 Ca -0.27 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.41 2kgk h VAL 80 Cb 0.92 0.87 -0.03 0.00 -2.01 0.00 0.00 31.29 31.04 2kgk h VAL 80 CO 0.16 0.00 0.33 -0.33 -1.01 0.00 0.00 177.57 176.72 2kgk h GLU 81 N 0.00 0.79 0.12 4.17 5.08 -2.01 -0.76 114.58 121.98 2kgk h GLU 81 Ca 0.02 -0.08 -0.18 0.00 -1.00 0.00 0.00 59.36 58.12 2kgk h GLU 81 Cb 0.30 -0.16 0.02 0.00 0.50 0.00 0.00 28.75 29.41 2kgk h GLU 81 CO -0.00 0.59 -0.76 1.49 -1.00 0.00 0.00 179.01 179.33 2kgk h GLU 82 N 0.77 0.31 -0.83 2.33 4.57 -1.48 -3.28 114.58 116.98 2kgk h GLU 82 Ca 0.20 -0.49 0.16 0.00 -1.18 0.00 0.00 59.36 58.05 2kgk h GLU 82 Cb 0.02 0.18 -0.06 0.00 -0.16 0.00 0.00 28.75 28.73 2kgk h GLU 82 CO -0.03 1.21 0.54 0.28 -1.18 0.00 0.00 179.01 179.83 2kgk h VAL 83 N -0.34 0.79 -0.52 0.32 2.07 -1.37 0.89 116.25 118.08 2kgk h VAL 83 Ca -0.13 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.26 2kgk h VAL 83 Cb 1.57 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 2kgk h VAL 83 CO 0.14 0.09 0.26 0.15 0.02 0.00 0.00 177.57 178.24 2kgk h PHE 84 N 0.51 0.48 0.22 1.57 3.57 -1.19 0.31 116.94 122.42 2kgk h PHE 84 Ca 0.42 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.93 2kgk h PHE 84 Cb 0.86 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.46 2kgk h PHE 84 CO -0.00 0.23 -0.11 1.49 -2.23 0.00 0.00 178.31 177.69 2kgk h GLU 85 N 0.51 -0.29 -0.47 1.11 4.81 -1.04 -3.17 114.58 116.05 2kgk h GLU 85 Ca 0.23 0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.62 2kgk h GLU 85 Cb 0.14 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2kgk h GLU 85 CO -0.16 0.07 0.44 -0.07 -0.73 0.00 0.00 179.01 178.56 2kgk h LEU 86 N -0.91 0.00 -0.24 1.64 4.07 -0.84 -0.78 115.31 118.25 2kgk h LEU 86 Ca -0.03 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.94 2kgk h LEU 86 Cb 0.50 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.22 2kgk h LEU 86 CO 0.05 0.00 0.14 0.00 -1.08 0.00 0.00 178.44 177.55 2kgk n LYS 88 N -4.95 0.23 0.12 0.00 2.85 -0.30 -1.88 118.16 114.23 2kgk n LYS 88 Ca -0.02 0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 2kgk n LYS 88 Cb 0.04 -1.50 0.03 0.00 -0.65 0.00 0.00 35.03 32.95 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 -3.30 -5.58 -0.73 -1.08 -3.43 115.58 101.46 2kgk h ASN 89 Ca 0.00 0.00 -0.65 0.00 1.87 0.00 0.00 56.30 57.52 2kgk h ASN 89 Cb 0.05 0.00 -0.34 0.00 0.27 0.00 0.00 38.32 38.31 2kgk h ASN 89 CO 0.00 0.63 -0.86 -1.61 -0.37 0.00 0.00 177.43 175.21 2kgk s GLU 90 N -2.99 2.77 0.00 6.67 0.41 -0.79 -5.04 118.70 119.73 2kgk s GLU 90 Ca 0.03 -0.77 0.00 0.00 -0.41 0.00 0.00 54.97 53.81 2kgk s GLU 90 Cb 0.09 -2.18 0.00 0.00 -1.78 0.00 0.00 34.13 30.26 2kgk s GLU 90 CO 0.76 0.07 0.05 -0.85 -0.49 0.00 0.00 175.26 174.80 2kgk n GLU 91 N 3.81 0.00 -2.38 1.61 0.00 -1.26 -3.79 120.64 118.62 2kgk n GLU 91 Ca -0.20 0.03 -0.43 0.00 0.00 0.00 0.00 57.16 56.56 2kgk n GLU 91 Cb 0.52 -0.55 -0.02 0.00 0.00 0.00 0.00 31.44 31.39 2kgk n GLU 91 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2kgk s GLU 92 N -0.10 3.92 -0.04 3.44 -1.05 -1.26 -2.29 118.70 121.32 2kgk s GLU 92 Ca 0.00 1.33 0.01 0.00 -0.15 0.00 0.00 54.97 56.16 2kgk s GLU 92 Cb 0.00 -3.89 0.02 0.00 -0.44 0.00 0.00 34.13 29.82 2kgk s GLU 92 CO 0.00 -1.11 -0.06 0.96 0.95 0.00 0.00 175.26 176.00 2kgk s ILE 93 N 4.41 0.61 -0.09 1.83 -4.36 -0.84 -4.71 121.20 118.04 2kgk s ILE 93 Ca 0.58 -0.19 0.01 0.00 -0.26 0.00 0.00 60.65 60.79 2kgk s ILE 93 Cb -0.18 -0.60 -0.02 0.00 1.25 0.00 0.00 42.46 42.90 2kgk s ILE 93 CO 0.23 0.23 -0.11 -0.36 0.24 0.00 0.00 174.94 175.17 2kgk s PHE 94 N 0.74 2.83 -0.03 1.37 0.08 -1.04 -0.98 117.98 120.96 2kgk s PHE 94 Ca -0.11 -0.31 0.07 0.00 0.12 0.00 0.00 56.93 56.71 2kgk s PHE 94 Cb -0.13 -1.76 -0.02 0.00 -0.57 0.00 0.00 43.02 40.54 2kgk s PHE 94 CO 0.01 0.05 -0.25 0.42 -0.10 0.00 0.00 175.22 175.35 2kgk s ILE 95 N -0.24 2.00 0.00 0.64 1.01 0.10 -2.21 121.20 122.50 2kgk s ILE 95 Ca 0.02 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 59.59 2kgk s ILE 95 Cb -0.13 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.67 2kgk s ILE 95 CO 0.03 0.56 0.49 2.22 0.00 0.00 0.00 174.94 178.24 2kgk n PHE 96 N 2.56 0.00 0.00 3.97 -1.74 -0.56 -2.01 117.46 119.68 2kgk n PHE 96 Ca -0.16 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.73 2kgk n PHE 96 Cb 0.51 0.12 0.00 0.00 1.52 0.00 0.00 39.48 41.63 2kgk n PHE 96 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2kgk n GLY 97 N 0.00 0.00 0.00 4.97 0.00 0.57 -4.64 105.19 106.09 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 -0.83 -0.68 0.38 -0.02 0.00 -1.26 -1.28 105.19 101.51 2kgk n GLY 98 Ca 0.00 -0.90 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 2kgk n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kgk h ALA 99 N 0.00 -0.93 -0.94 4.61 0.00 -1.97 0.18 119.26 120.21 2kgk h ALA 99 Ca 0.00 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.78 2kgk h ALA 99 Cb 0.00 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 2kgk h ALA 99 CO 0.00 -0.86 0.61 -0.56 0.00 0.00 0.00 179.25 178.44 2kgk h GLN 100 N -1.24 1.04 -0.18 0.00 3.07 -1.99 -0.39 115.11 115.42 2kgk h GLN 100 Ca -0.09 -0.06 -0.10 0.00 0.09 0.00 0.00 58.65 58.48 2kgk h GLN 100 Cb 0.71 -0.24 -0.01 0.00 0.08 0.00 0.00 27.48 28.02 2kgk h GLN 100 CO 0.16 0.69 -0.32 0.82 0.09 0.00 0.00 178.83 180.26 2kgk h ILE 101 N 1.08 1.28 0.04 1.86 1.08 -1.91 -2.40 117.51 118.53 2kgk h ILE 101 Ca 0.41 -1.36 -0.00 0.00 -0.39 0.00 0.00 64.86 63.52 2kgk h ILE 101 Cb 0.21 1.50 0.00 0.00 -3.07 0.00 0.00 36.82 35.46 2kgk h ILE 101 CO -0.16 0.42 -0.02 0.22 -0.69 0.00 0.00 178.15 177.92 2kgk h TYR 102 N 0.31 -0.04 -0.31 1.37 5.03 0.11 -0.14 116.97 123.30 2kgk h TYR 102 Ca 0.04 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.33 2kgk h TYR 102 Cb 0.72 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 39.01 2kgk h TYR 102 CO 0.02 0.01 0.12 0.22 -1.32 0.00 0.00 178.16 177.21 2kgk h ASP 103 N -0.09 0.43 0.57 -2.11 1.82 -1.35 -0.36 116.42 115.34 2kgk h ASP 103 Ca -0.00 -0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.47 2kgk h ASP 103 Cb 0.07 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 39.97 2kgk h ASP 103 CO 0.01 0.48 0.00 -0.07 -1.61 0.00 0.00 179.24 178.05 2kgk h LEU 104 N 0.35 0.00 -0.71 2.28 4.07 -1.32 -2.18 115.31 117.80 2kgk h LEU 104 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.06 2kgk h LEU 104 Cb 0.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.93 2kgk h LEU 104 CO -0.01 0.00 -0.55 0.49 -1.08 0.00 0.00 178.44 177.29 2kgk n PHE 105 N -2.85 0.00 -0.07 1.13 3.01 -0.07 -4.50 117.46 114.10 2kgk n PHE 105 Ca -0.00 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.39 2kgk n PHE 105 Cb 0.20 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.66 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 1.65 -0.41 -2.59 4.37 5.85 -0.40 -0.76 115.31 123.03 2kgk h LEU 106 Ca 0.00 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 2kgk h LEU 106 Cb 0.63 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 2kgk h LEU 106 CO 0.00 -0.15 0.04 -0.81 -0.34 0.00 0.00 178.44 177.17 2kgk n PRO 107 N -5.29 1.07 0.03 5.25 -0.04 -1.26 -3.79 135.00 130.97 2kgk n PRO 107 Ca -0.00 -0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2kgk n PRO 107 Cb 0.21 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.91 -0.88 -0.89 0.54 4.01 -0.42 -5.12 117.16 115.31 2kgk n TYR 108 Ca 0.03 0.13 -0.28 0.00 -0.16 0.00 0.00 57.90 57.62 2kgk n TYR 108 Cb 0.53 0.62 0.22 0.00 -0.31 0.00 0.00 39.34 40.40 2kgk n TYR 108 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2kgk s VAL 109 N -2.00 1.99 -0.12 -0.72 0.11 -0.46 -5.01 120.40 114.20 2kgk s VAL 109 Ca 0.00 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 2kgk s VAL 109 Cb 0.00 -2.31 -0.08 0.00 -1.53 0.00 0.00 36.38 32.47 2kgk s VAL 109 CO 0.00 0.00 -0.11 0.47 -3.33 0.00 0.00 175.10 172.13 2kgk n ASP 110 N -4.56 3.02 -4.49 3.54 8.00 -0.96 -4.96 116.55 116.15 2kgk n ASP 110 Ca 0.04 -0.06 -0.35 0.00 0.71 0.00 0.00 54.79 55.13 2kgk n ASP 110 Cb 0.56 -0.19 -0.12 0.00 -0.02 0.00 0.00 41.12 41.35 2kgk n ASP 110 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2kgk s LYS 111 N -2.24 3.69 -0.12 -1.24 3.01 0.11 -2.09 119.74 120.85 2kgk s LYS 111 Ca -0.16 -0.49 0.03 0.00 -1.01 0.00 0.00 55.97 54.33 2kgk s LYS 111 Cb 0.04 -3.06 0.01 0.00 -1.01 0.00 0.00 37.83 33.81 2kgk s LYS 111 CO 0.28 0.11 -0.23 -1.17 0.51 0.00 0.00 175.35 174.85 2kgk s LEU 112 N 0.74 2.10 -0.05 3.17 1.98 0.00 -0.85 118.68 125.77 2kgk s LEU 112 Ca 0.00 -0.58 0.04 0.00 -2.89 0.00 0.00 54.13 50.69 2kgk s LEU 112 Cb -0.14 -1.43 0.00 0.00 0.66 0.00 0.00 46.19 45.28 2kgk s LEU 112 CO 0.02 0.12 -0.16 -0.31 -1.89 0.00 0.00 176.35 174.13 2kgk s TYR 113 N 0.60 1.69 -0.04 5.38 1.51 -0.25 -0.83 117.35 125.40 2kgk s TYR 113 Ca -0.13 -0.53 -0.00 0.00 -1.01 0.00 0.00 57.07 55.40 2kgk s TYR 113 Cb -0.17 -1.16 0.03 0.00 -0.11 0.00 0.00 41.96 40.55 2kgk s TYR 113 CO 0.03 -0.21 -0.00 0.42 -1.11 0.00 0.00 175.55 174.68 2kgk s ILE 114 N 0.21 0.29 -0.55 2.71 1.09 -1.20 -2.44 121.20 121.31 2kgk s ILE 114 Ca -0.07 0.08 -0.17 0.00 -1.10 0.00 0.00 60.65 59.38 2kgk s ILE 114 Cb -0.13 -0.40 0.11 0.00 -1.06 0.00 0.00 42.46 40.99 2kgk s ILE 114 CO 0.03 0.20 0.58 -0.89 -0.10 0.00 0.00 174.94 174.75 2kgk s THR 115 N 1.35 5.05 -0.14 2.92 2.01 -0.83 -1.42 115.64 124.59 2kgk s THR 115 Ca -0.05 -1.23 -0.29 0.00 0.31 0.00 0.00 61.69 60.42 2kgk s THR 115 Cb -0.13 -4.38 -0.02 0.00 0.01 0.00 0.00 72.50 67.98 2kgk s THR 115 CO -0.02 -0.94 1.24 -0.75 -0.69 0.00 0.00 174.62 173.45 2kgk s LYS 116 N 2.06 4.26 -0.12 4.92 2.20 0.23 -0.01 119.74 133.27 2kgk s LYS 116 Ca 0.07 1.66 -0.06 0.00 -0.36 0.00 0.00 55.97 57.27 2kgk s LYS 116 Cb -0.27 -3.71 -0.04 0.00 -1.51 0.00 0.00 37.83 32.30 2kgk s LYS 116 CO 0.05 -0.64 0.09 0.42 -0.36 0.00 0.00 175.35 174.91 2kgk s ILE 117 N 3.19 5.11 -0.31 5.43 1.01 0.81 -0.63 121.20 135.81 2kgk s ILE 117 Ca 0.55 0.06 0.02 0.00 0.00 0.00 0.00 60.65 61.28 2kgk s ILE 117 Cb -0.22 -3.23 0.40 0.00 0.01 0.00 0.00 42.46 39.42 2kgk s ILE 117 CO 0.16 0.58 1.66 1.57 0.00 0.00 0.00 174.94 178.91 2kgk n HIS 118 N 2.32 1.96 -3.61 3.97 -0.00 -1.03 -2.46 115.22 116.36 2kgk n HIS 118 Ca -0.19 -1.51 -0.07 0.00 -0.00 0.00 0.00 57.72 55.95 2kgk n HIS 118 Cb 0.54 -0.76 -0.08 0.00 -0.00 0.00 0.00 29.99 29.68 2kgk n HIS 118 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kgk s HIS 119 N -2.14 -0.89 -0.19 1.57 4.02 -1.26 -4.92 115.29 111.47 2kgk s HIS 119 Ca 0.37 1.57 -0.28 0.00 1.02 0.00 0.00 55.06 57.74 2kgk s HIS 119 Cb 0.31 0.35 0.10 0.00 -1.02 0.00 0.00 32.58 32.32 2kgk s HIS 119 CO 0.06 -0.54 0.87 0.00 1.02 0.00 0.00 174.74 176.15 2kgk s ALA 120 N 2.65 -1.87 -0.17 -1.40 0.00 -1.26 -4.77 121.76 114.94 2kgk s ALA 120 Ca -0.00 1.71 -0.08 0.00 0.00 0.00 0.00 51.96 53.59 2kgk s ALA 120 Cb -0.12 -0.86 0.07 0.00 0.00 0.00 0.00 23.12 22.20 2kgk s ALA 120 CO -0.14 -0.31 0.39 0.12 0.00 0.00 0.00 175.76 175.82 2kgk s PHE 121 N -0.41 -0.63 0.00 0.00 5.36 -1.26 -4.75 117.98 116.29 2kgk s PHE 121 Ca -0.02 1.29 0.00 0.00 -0.96 0.00 0.00 56.93 57.24 2kgk s PHE 121 Cb -0.03 0.23 0.00 0.00 -0.34 0.00 0.00 43.02 42.88 2kgk s PHE 121 CO 0.01 -0.38 0.00 0.39 -1.46 0.00 0.00 175.22 173.78 2kgk n GLU 122 N 4.73 0.00 0.00 10.12 1.02 -1.26 -4.93 120.64 130.32 2kgk n GLU 122 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 2kgk n GLU 122 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.95 2kgk n GLU 122 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kgk n GLY 123 N 0.32 5.37 0.17 0.62 0.00 -1.26 -5.06 105.19 105.35 2kgk n GLY 123 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -4.56 1.61 2.03 -1.23 -4.85 116.55 109.56 2kgk n ASP 124 Ca 0.00 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 2kgk n ASP 124 Cb 0.00 -0.32 -0.03 0.00 -0.72 0.00 0.00 41.12 40.05 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 -0.81 3.84 -0.01 5.18 2.01 -0.71 -4.96 115.64 120.18 2kgk s THR 125 Ca 0.00 -0.37 0.06 0.00 0.31 0.00 0.00 61.69 61.69 2kgk s THR 125 Cb 0.00 -4.99 -0.02 0.00 0.01 0.00 0.00 72.50 67.51 2kgk s THR 125 CO 0.00 -1.89 -0.19 0.72 -0.69 0.00 0.00 174.62 172.57 2kgk s PHE 126 N 5.34 1.67 -0.04 4.92 -0.71 -1.26 0.56 117.98 128.45 2kgk s PHE 126 Ca 0.43 -0.32 -0.02 0.00 -1.04 0.00 0.00 56.93 55.98 2kgk s PHE 126 Cb -0.03 -1.07 0.02 0.00 -1.21 0.00 0.00 43.02 40.73 2kgk s PHE 126 CO -0.02 -0.02 0.09 -0.59 -1.34 0.00 0.00 175.22 173.34 2kgk s PHE 127 N -0.46 -0.09 0.00 3.49 -0.71 -1.06 -4.80 117.98 114.35 2kgk s PHE 127 Ca 0.07 0.27 0.00 0.00 -1.04 0.00 0.00 56.93 56.23 2kgk s PHE 127 Cb -0.07 -0.03 0.00 0.00 -1.21 0.00 0.00 43.02 41.71 2kgk s PHE 127 CO -0.01 -0.08 0.00 -0.35 -1.34 0.00 0.00 175.22 173.45 2kgk n PRO 128 N 3.43 0.90 -2.62 1.99 -0.04 -1.26 -4.44 135.00 132.96 2kgk n PRO 128 Ca -0.17 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.87 2kgk n PRO 128 Cb 0.57 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.00 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 -0.19 3.58 0.00 0.54 -1.05 -1.26 -4.50 118.70 115.81 2kgk s GLU 129 Ca 0.00 -1.19 0.04 0.00 -0.15 0.00 0.00 54.97 53.67 2kgk s GLU 129 Cb 0.00 -5.25 0.06 0.00 -0.44 0.00 0.00 34.13 28.50 2kgk s GLU 129 CO 0.00 -2.14 0.83 0.00 0.95 0.00 0.00 175.26 174.90 2kgk n MET 130 N 8.55 0.00 -2.24 -4.83 0.00 -1.26 -5.04 117.12 112.30 2kgk n MET 130 Ca 0.31 -0.75 -0.32 0.00 0.00 0.00 0.00 57.70 56.93 2kgk n MET 130 Cb 0.51 0.07 -0.04 0.00 0.00 0.00 0.00 33.22 33.76 2kgk n MET 130 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2kgk s ASP 131 N -0.75 5.64 -0.06 3.17 2.15 -1.26 -4.78 116.67 120.77 2kgk s ASP 131 Ca 0.05 -1.38 0.00 0.00 0.43 0.00 0.00 52.55 51.65 2kgk s ASP 131 Cb 0.05 -2.57 0.06 0.00 -0.30 0.00 0.00 42.92 40.16 2kgk s ASP 131 CO -0.02 -2.35 1.64 0.23 -0.17 0.00 0.00 175.17 174.49 2kgk n MET 132 N 8.63 1.16 0.12 4.34 2.81 -1.26 -4.42 117.12 128.51 2kgk n MET 132 Ca 0.41 -0.35 -0.13 0.00 -1.81 0.00 0.00 57.70 55.83 2kgk n MET 132 Cb 0.47 -1.14 -0.06 0.00 -0.71 0.00 0.00 33.22 31.79 2kgk n MET 132 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kgk h THR 133 N 0.64 0.53 -0.72 2.03 1.03 -2.05 -3.45 112.91 110.92 2kgk h THR 133 Ca 0.07 0.00 -0.25 0.00 -0.01 0.00 0.00 66.41 66.21 2kgk h THR 133 Cb 1.07 0.53 -0.10 0.00 -1.07 0.00 0.00 68.15 68.58 2kgk h THR 133 CO 0.15 0.00 -0.23 -3.20 -0.01 0.00 0.00 175.52 172.23 2kgk n ASN 134 N -5.34 -5.11 -4.70 0.00 2.85 -1.26 -4.93 115.26 96.77 2kgk n ASN 134 Ca -0.07 0.31 -0.30 0.00 -0.11 0.00 0.00 54.58 54.40 2kgk n ASN 134 Cb 0.25 -4.01 0.14 0.00 1.24 0.00 0.00 39.78 37.40 2kgk n ASN 134 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 2kgk s TRP 135 N -2.02 2.15 -0.17 1.20 0.52 -1.26 -5.00 118.94 114.36 2kgk s TRP 135 Ca 0.00 1.45 -0.15 0.00 0.02 0.00 0.00 56.10 57.42 2kgk s TRP 135 Cb 0.00 -3.16 -0.04 0.00 -1.15 0.00 0.00 33.47 29.12 2kgk s TRP 135 CO 0.00 -2.46 0.33 0.15 0.02 0.00 0.00 176.95 174.99 2kgk s LYS 136 N -4.82 4.23 0.16 4.98 -0.14 -1.25 -4.99 119.74 117.91 2kgk s LYS 136 Ca 0.64 0.13 -0.13 0.00 -1.36 0.00 0.00 55.97 55.26 2kgk s LYS 136 Cb -0.19 -3.47 -0.07 0.00 -1.68 0.00 0.00 37.83 32.42 2kgk s LYS 136 CO 0.58 0.14 0.53 -2.00 -0.76 0.00 0.00 175.35 173.83 2kgk s GLU 137 N 0.77 3.91 0.00 1.68 -6.30 -1.26 -1.17 118.70 116.33 2kgk s GLU 137 Ca 0.17 0.40 0.00 0.00 -2.50 0.00 0.00 54.97 53.04 2kgk s GLU 137 Cb -0.14 -2.87 0.00 0.00 0.00 0.00 0.00 34.13 31.13 2kgk s GLU 137 CO 0.06 0.45 0.00 1.33 0.02 0.00 0.00 175.26 177.11 2kgk n VAL 138 N 0.58 0.00 -3.52 3.70 0.24 -0.84 -4.93 118.33 113.56 2kgk n VAL 138 Ca -0.04 -0.04 -0.12 0.00 -2.04 0.00 0.00 64.34 62.10 2kgk n VAL 138 Cb 0.52 0.42 -0.04 0.00 -1.47 0.00 0.00 33.84 33.27 2kgk n VAL 138 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 2kgk s PHE 139 N -1.32 -0.46 -0.02 6.34 5.36 -1.23 -5.07 117.98 121.58 2kgk s PHE 139 Ca 0.00 0.59 0.01 0.00 -0.96 0.00 0.00 56.93 56.58 2kgk s PHE 139 Cb 0.00 0.48 0.01 0.00 -0.34 0.00 0.00 43.02 43.17 2kgk s PHE 139 CO 0.00 -0.54 -0.04 0.08 -1.46 0.00 0.00 175.22 173.26 2kgk s VAL 140 N -2.09 0.37 0.20 3.12 1.01 -1.26 -1.29 120.40 120.45 2kgk s VAL 140 Ca -0.02 -0.13 0.10 0.00 0.00 0.00 0.00 61.98 61.93 2kgk s VAL 140 Cb -0.01 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 2kgk s VAL 140 CO -0.01 0.14 -0.19 -0.70 0.00 0.00 0.00 175.10 174.33 2kgk s GLU 141 N 0.31 1.40 0.41 2.72 2.12 0.20 -5.01 118.70 120.85 2kgk s GLU 141 Ca -0.03 -1.52 0.07 0.00 0.36 0.00 0.00 54.97 53.85 2kgk s GLU 141 Cb -0.07 -1.47 -0.04 0.00 0.26 0.00 0.00 34.13 32.81 2kgk s GLU 141 CO -0.00 0.29 0.27 -1.59 -0.54 0.00 0.00 175.26 173.69 2kgk s LYS 142 N -3.04 2.36 0.00 4.30 0.00 -1.26 0.32 119.74 122.43 2kgk s LYS 142 Ca 0.20 -1.71 0.00 0.00 0.00 0.00 0.00 55.97 54.46 2kgk s LYS 142 Cb -0.05 -2.16 0.00 0.00 0.00 0.00 0.00 37.83 35.62 2kgk s LYS 142 CO 0.09 -0.15 0.00 0.41 0.00 0.00 0.00 175.35 175.70 2kgk n GLY 143 N -1.38 4.66 3.43 0.59 0.00 0.55 -4.60 105.19 108.44 2kgk n GLY 143 Ca 0.01 -2.06 -0.16 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.16 0.00 0.99 2.96 -1.26 -4.81 118.68 116.40 2kgk s LEU 144 Ca 0.00 0.59 0.05 0.00 -0.22 0.00 0.00 54.13 54.55 2kgk s LEU 144 Cb 0.00 2.10 0.05 0.00 0.50 0.00 0.00 46.19 48.84 2kgk s LEU 144 CO 0.00 -0.51 0.41 1.07 -1.32 0.00 0.00 176.35 176.00 2kgk n THR 145 N 1.26 0.00 -0.83 3.68 5.66 -1.25 -4.74 114.28 118.06 2kgk n THR 145 Ca -0.19 -1.25 0.00 0.00 -3.05 0.00 0.00 64.05 59.56 2kgk n THR 145 Cb 0.57 -0.53 0.00 0.00 -1.55 0.00 0.00 70.33 68.82 2kgk n THR 145 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2kgk n ASP 146 N -2.34 0.00 -0.03 1.09 8.00 0.26 -4.95 116.55 118.57 2kgk n ASP 146 Ca 0.06 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.43 2kgk n ASP 146 Cb 0.38 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.37 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 0.01 0.00 -1.24 5.08 -2.00 -1.36 114.58 115.07 2kgk h GLU 147 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2kgk h GLU 147 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2kgk h GLU 147 CO 0.00 0.69 0.00 0.36 -1.00 0.00 0.00 179.01 179.06 2kgk n LYS 148 N -4.75 0.70 -2.74 2.33 2.85 -1.26 -4.06 118.16 111.23 2kgk n LYS 148 Ca -0.09 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.13 2kgk n LYS 148 Cb 0.34 -1.39 0.02 0.00 -0.65 0.00 0.00 35.03 33.35 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 -0.89 -2.95 -4.40 -5.58 0.23 -1.14 -4.86 115.26 95.67 2kgk n ASN 149 Ca 0.13 -2.57 -0.43 0.00 -0.53 0.00 0.00 54.58 51.18 2kgk n ASN 149 Cb 0.06 1.55 0.00 0.00 -2.08 0.00 0.00 39.78 39.31 2kgk n ASN 149 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 2kgk n PRO 150 N 2.65 3.15 -3.64 -0.53 -0.04 -0.53 -0.58 135.00 135.49 2kgk n PRO 150 Ca 0.15 -3.19 -0.09 0.00 -0.04 0.00 0.00 63.50 60.33 2kgk n PRO 150 Cb 0.59 -3.42 -0.07 0.00 -0.04 0.00 0.00 33.50 30.56 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 3.79 -0.79 -0.13 0.54 2.02 -1.26 -4.95 117.35 116.56 2kgk s TYR 151 Ca 0.52 1.73 -0.01 0.00 -0.37 0.00 0.00 57.07 58.94 2kgk s TYR 151 Cb 0.06 0.42 -0.02 0.00 -0.40 0.00 0.00 41.96 42.02 2kgk s TYR 151 CO 0.04 -0.39 -0.09 0.99 -1.57 0.00 0.00 175.55 174.54 2kgk s THR 152 N 0.92 3.44 0.19 -0.71 2.01 -1.26 -3.82 115.64 116.41 2kgk s THR 152 Ca -0.04 -0.53 0.04 0.00 0.31 0.00 0.00 61.69 61.47 2kgk s THR 152 Cb -0.05 -2.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.98 2kgk s THR 152 CO -0.10 0.52 0.15 0.00 -0.69 0.00 0.00 174.62 174.50 2kgk n TYR 153 N 3.35 -0.40 -3.81 4.92 0.18 -1.26 -2.46 117.16 117.68 2kgk n TYR 153 Ca -0.18 -1.56 -0.12 0.00 1.88 0.00 0.00 57.90 57.92 2kgk n TYR 153 Cb 0.53 0.15 -0.11 0.00 -0.38 0.00 0.00 39.34 39.53 2kgk n TYR 153 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 2kgk s TYR 154 N -2.72 -0.15 -0.20 -3.48 2.02 0.20 -0.33 117.35 112.69 2kgk s TYR 154 Ca 0.21 0.33 -0.07 0.00 -0.37 0.00 0.00 57.07 57.17 2kgk s TYR 154 Cb 0.01 0.05 -0.03 0.00 -0.40 0.00 0.00 41.96 41.58 2kgk s TYR 154 CO 0.15 -0.22 0.05 -0.47 -1.57 0.00 0.00 175.55 173.48 2kgk s TYR 155 N -0.60 3.15 0.01 2.71 6.14 0.15 -0.60 117.35 128.31 2kgk s TYR 155 Ca -0.07 -0.15 0.01 0.00 0.64 0.00 0.00 57.07 57.50 2kgk s TYR 155 Cb -0.04 -2.10 -0.04 0.00 0.42 0.00 0.00 41.96 40.20 2kgk s TYR 155 CO 0.01 -0.04 0.06 -1.01 0.64 0.00 0.00 175.55 175.21 2kgk s HIS 156 N 0.76 3.22 -0.26 4.97 3.76 -0.51 0.58 115.29 127.81 2kgk s HIS 156 Ca 0.02 0.16 0.01 0.00 -0.15 0.00 0.00 55.06 55.10 2kgk s HIS 156 Cb -0.14 -1.70 0.05 0.00 1.11 0.00 0.00 32.58 31.90 2kgk s HIS 156 CO 0.02 0.53 -0.08 0.08 -0.85 0.00 0.00 174.74 174.43 2kgk s VAL 157 N -1.20 2.48 -0.00 -0.90 1.01 -0.41 -3.21 120.40 118.16 2kgk s VAL 157 Ca 0.23 -1.40 0.08 0.00 0.00 0.00 0.00 61.98 60.90 2kgk s VAL 157 Cb -0.12 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 2kgk s VAL 157 CO 0.14 0.05 -0.25 -0.31 0.00 0.00 0.00 175.10 174.74 2kgk s TYR 158 N 1.20 2.37 0.03 5.22 2.02 -0.01 -2.00 117.35 126.18 2kgk s TYR 158 Ca -0.05 -0.40 -0.02 0.00 -0.37 0.00 0.00 57.07 56.23 2kgk s TYR 158 Cb -0.19 -1.48 -0.02 0.00 -0.40 0.00 0.00 41.96 39.87 2kgk s TYR 158 CO -0.05 0.03 0.01 -1.21 -1.57 0.00 0.00 175.55 172.77 2kgk s GLU 159 N -0.82 0.47 0.50 -0.62 2.02 -0.32 -0.82 118.70 119.12 2kgk s GLU 159 Ca 0.11 -0.78 0.05 0.00 0.02 0.00 0.00 54.97 54.37 2kgk s GLU 159 Cb -0.10 0.17 0.00 0.00 0.10 0.00 0.00 34.13 34.30 2kgk s GLU 159 CO 0.00 -0.09 0.24 0.15 0.02 0.00 0.00 175.26 175.58 2kgk s LYS 160 N -2.34 2.24 -0.90 1.61 -0.14 -0.89 -3.83 119.74 115.49 2kgk s LYS 160 Ca -0.08 -2.08 -0.02 0.00 -1.36 0.00 0.00 55.97 52.44 2kgk s LYS 160 Cb -0.03 -1.92 0.23 0.00 -1.68 0.00 0.00 37.83 34.42 2kgk s LYS 160 CO -0.04 -0.43 0.82 1.04 -0.76 0.00 0.00 175.35 175.98 2kgk n GLN 161 N -1.51 2.74 0.00 1.68 3.00 -1.26 -4.99 117.38 117.04 2kgk n GLN 161 Ca -0.06 -4.49 0.15 0.00 -0.01 0.00 0.00 57.00 52.58 2kgk n GLN 161 Cb 0.65 -2.41 0.73 0.00 0.00 0.00 0.00 30.24 29.21 2kgk n GLN 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06