#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kta s ASN 2 N 0.00 3.10 0.10 6.12 2.20 -1.26 -5.15 114.94 120.05 2kta s ASN 2 Ca 0.00 -0.73 0.06 0.00 -0.94 0.00 0.00 52.86 51.25 2kta s ASN 2 Cb 0.00 -0.20 -0.03 0.00 -2.00 0.00 0.00 41.25 39.02 2kta s ASN 2 CO 0.00 0.15 -0.15 -1.10 -2.94 0.00 0.00 177.10 173.05 2kta s GLN 3 N -2.01 0.96 -1.21 3.55 -1.52 -1.26 -4.78 119.66 113.40 2kta s GLN 3 Ca 0.12 -1.11 0.00 0.00 -1.95 0.00 0.00 55.36 52.42 2kta s GLN 3 Cb -0.10 -0.97 0.00 0.00 -0.22 0.00 0.00 33.01 31.72 2kta s GLN 3 CO 0.05 0.21 0.00 0.09 -0.25 0.00 0.00 175.29 175.39 2kta n ASN 4 N 0.95 -4.45 -4.73 5.90 5.03 -1.26 -4.97 115.26 111.73 2kta n ASN 4 Ca -0.19 0.28 -0.38 0.00 0.87 0.00 0.00 54.58 55.17 2kta n ASN 4 Cb 0.55 -2.95 -0.06 0.00 -1.02 0.00 0.00 39.78 36.30 2kta n ASN 4 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2kta s LEU 5 N -2.59 4.29 0.63 3.41 2.96 -1.26 -5.07 118.68 121.05 2kta s LEU 5 Ca 0.00 0.78 -0.12 0.00 -0.22 0.00 0.00 54.13 54.57 2kta s LEU 5 Cb 0.00 -2.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.03 2kta s LEU 5 CO 0.00 0.04 1.04 -1.10 -1.32 0.00 0.00 176.35 175.01 2kta s GLN 6 N 0.46 3.42 -0.55 1.98 -0.21 -1.26 -3.95 119.66 119.55 2kta s GLN 6 Ca 0.24 0.86 -0.02 0.00 0.02 0.00 0.00 55.36 56.46 2kta s GLN 6 Cb -0.15 -2.06 0.00 0.00 1.00 0.00 0.00 33.01 31.81 2kta s GLN 6 CO 0.09 -0.71 0.29 0.41 -2.12 0.00 0.00 175.29 173.25 2kta n GLY 7 N -2.31 0.29 0.24 3.09 0.00 -1.26 -4.92 105.19 100.32 2kta n GLY 7 Ca 0.07 -0.41 0.07 0.00 0.00 0.00 0.00 46.02 45.74 2kta n GLY 7 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kta h GLU 8 N -0.66 0.00 -0.11 1.61 4.81 -2.00 -0.14 114.58 118.09 2kta h GLU 8 Ca -0.20 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.04 2kta h GLU 8 Cb 1.14 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2kta h GLU 8 CO 0.21 0.09 0.03 2.35 -0.73 0.00 0.00 179.01 180.96 2kta h TRP 9 N 0.00 0.06 -0.70 0.92 -0.00 -1.93 -2.16 115.95 112.13 2kta h TRP 9 Ca -0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 58.88 2kta h TRP 9 Cb 0.16 -0.01 -0.03 0.00 -0.00 0.00 0.00 29.16 29.28 2kta h TRP 9 CO 0.00 0.03 0.37 1.98 -0.00 0.00 0.00 178.44 180.82 2kta h MET 10 N 0.09 0.98 -0.02 2.65 4.05 -1.47 0.25 114.93 121.46 2kta h MET 10 Ca 0.05 -0.11 0.02 0.00 -0.28 0.00 0.00 59.70 59.37 2kta h MET 10 Cb 0.03 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 30.61 2kta h MET 10 CO -0.05 0.73 -0.11 -0.22 0.23 0.00 0.00 176.91 177.49 2kta h LYS 11 N 0.98 -0.17 0.00 0.39 3.64 -0.71 -1.47 116.57 119.23 2kta h LYS 11 Ca 0.25 0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.50 2kta h LYS 11 Cb 0.05 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2kta h LYS 11 CO -0.04 -0.12 -0.66 -2.95 -2.27 0.00 0.00 179.45 173.42 2kta h ASN 12 N -0.18 0.00 -0.44 4.20 7.08 -1.23 -3.32 115.58 121.69 2kta h ASN 12 Ca 0.05 0.00 0.02 0.00 -3.08 0.00 0.00 56.30 53.29 2kta h ASN 12 Cb 0.24 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.45 2kta h ASN 12 CO -0.13 0.66 0.25 0.22 -2.08 0.00 0.00 177.43 176.35 2kta h TYR 13 N 0.00 0.47 -0.35 4.14 3.20 0.08 0.14 116.97 124.65 2kta h TYR 13 Ca -0.01 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 2kta h TYR 13 Cb 1.41 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.52 2kta h TYR 13 CO 0.00 0.26 -0.07 1.05 -1.64 0.00 0.00 178.16 177.77 2kta h GLU 14 N 0.50 0.58 -0.12 1.82 4.11 -1.38 0.72 114.58 120.82 2kta h GLU 14 Ca 0.18 -0.16 -0.14 0.00 0.07 0.00 0.00 59.36 59.32 2kta h GLU 14 Cb 0.04 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2kta h GLU 14 CO -0.10 0.66 -0.52 1.49 0.07 0.00 0.00 179.01 180.61 2kta h GLU 15 N 0.55 0.33 0.25 1.06 4.81 -1.49 -1.78 114.58 118.31 2kta h GLU 15 Ca 0.11 -0.20 -0.34 0.00 -0.13 0.00 0.00 59.36 58.80 2kta h GLU 15 Cb 0.45 0.02 0.03 0.00 0.63 0.00 0.00 28.75 29.88 2kta h GLU 15 CO 0.02 0.77 -1.53 1.25 -0.73 0.00 0.00 179.01 178.80 2kta h LEU 16 N 0.26 0.82 -0.72 1.64 5.85 -0.14 -0.99 115.31 122.02 2kta h LEU 16 Ca 0.01 -0.92 0.08 0.00 0.84 0.00 0.00 57.88 57.89 2kta h LEU 16 Cb 1.00 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.70 2kta h LEU 16 CO 0.09 1.73 0.39 0.50 -0.34 0.00 0.00 178.44 180.80 2kta h LYS 17 N 0.14 0.66 -0.12 1.25 3.64 0.47 0.37 116.57 122.98 2kta h LYS 17 Ca -0.27 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 58.90 2kta h LYS 17 Cb 2.17 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.83 2kta h LYS 17 CO 0.26 0.44 -0.62 0.77 -2.27 0.00 0.00 179.45 178.04 2kta h SER 18 N 0.68 0.48 -0.22 4.20 0.02 -1.32 -2.51 113.55 114.89 2kta h SER 18 Ca 0.34 -0.28 -0.17 0.00 -0.84 0.00 0.00 61.79 60.84 2kta h SER 18 Cb 0.29 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2kta h SER 18 CO -0.23 0.98 -0.53 0.15 -1.14 0.00 0.00 176.83 176.07 2kta h PHE 19 N 0.31 0.96 -0.60 3.45 3.57 -0.01 -0.67 116.94 123.96 2kta h PHE 19 Ca -0.01 -0.36 -0.09 0.00 3.53 0.00 0.00 57.97 61.04 2kta h PHE 19 Cb 1.16 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 2kta h PHE 19 CO 0.04 1.17 0.03 0.28 -2.23 0.00 0.00 178.31 177.60 2kta h VAL 20 N 0.48 1.26 0.00 1.41 2.07 -0.38 -1.38 116.25 119.71 2kta h VAL 20 Ca -0.00 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 2kta h VAL 20 Cb 1.14 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2kta h VAL 20 CO 0.11 0.40 -0.08 -0.09 0.02 0.00 0.00 177.57 177.93 2kta h ARG 21 N 0.95 0.00 0.01 1.57 1.12 -1.21 -0.98 114.38 115.84 2kta h ARG 21 Ca 0.18 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 59.05 2kta h ARG 21 Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.46 2kta h ARG 21 CO 0.02 0.08 -0.01 0.87 -3.11 0.00 0.00 179.97 177.83 2kta h LYS 22 N 0.00 -0.02 0.00 0.20 1.57 -0.19 -3.44 116.57 114.69 2kta h LYS 22 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kta h LYS 22 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2kta h LYS 22 CO 0.01 -0.01 -0.50 0.66 -0.57 0.00 0.00 179.45 179.04 2kta n TYR 23 N -2.30 0.00 -1.58 -1.35 4.01 -0.61 -5.09 117.16 110.24 2kta n TYR 23 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2kta n TYR 23 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 2kta n TYR 23 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2kta n ARG 24 N -1.21 -2.50 -0.51 -0.72 3.00 -0.37 -5.00 116.66 109.35 2kta n ARG 24 Ca 0.00 2.07 0.07 0.00 -0.01 0.00 0.00 57.85 59.98 2kta n ARG 24 Cb 0.00 -2.43 -0.02 0.00 0.00 0.00 0.00 32.46 30.01 2kta n ARG 24 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2kta n ARG 25 N 0.87 -1.03 -3.50 5.56 0.63 -1.26 -4.62 116.66 113.31 2kta n ARG 25 Ca 0.00 0.68 -0.42 0.00 -0.92 0.00 0.00 57.85 57.19 2kta n ARG 25 Cb 0.00 -1.26 -0.05 0.00 0.45 0.00 0.00 32.46 31.61 2kta n ARG 25 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2kta s PHE 26 N -1.26 3.78 0.31 -0.14 0.08 -1.26 -4.80 117.98 114.69 2kta s PHE 26 Ca 0.00 -2.52 0.13 0.00 0.12 0.00 0.00 56.93 54.66 2kta s PHE 26 Cb 0.00 -3.54 0.58 0.00 -0.57 0.00 0.00 43.02 39.49 2kta s PHE 26 CO 0.00 -0.89 1.73 -1.35 -0.10 0.00 0.00 175.22 174.61 2kta h PRO 27 N 7.03 0.00 0.00 0.24 0.11 -1.95 -3.34 132.00 134.09 2kta h PRO 27 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2kta h PRO 27 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2kta h PRO 27 CO 0.80 0.47 -0.43 1.57 -0.21 0.00 0.00 178.00 180.21 2kta h LYS 28 N 0.00 0.00 -1.79 1.05 2.10 -1.98 -3.51 116.57 112.43 2kta h LYS 28 Ca -0.00 0.00 0.21 0.00 -2.00 0.00 0.00 60.65 58.85 2kta h LYS 28 Cb 0.86 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.13 2kta h LYS 28 CO 0.06 0.00 -0.37 0.43 -2.00 0.00 0.00 179.45 177.57 2kta n SER 29 N -4.38 -4.70 -3.58 7.07 7.64 -1.26 -4.95 113.62 109.46 2kta n SER 29 Ca -0.06 0.42 -0.24 0.00 1.01 0.00 0.00 58.87 59.99 2kta n SER 29 Cb 0.22 -2.45 0.08 0.00 -1.01 0.00 0.00 64.21 61.05 2kta n SER 29 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2kta n THR 30 N -3.07 -2.91 -3.84 0.44 -1.04 -1.26 -4.99 114.28 97.61 2kta n THR 30 Ca -0.01 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.88 2kta n THR 30 Cb 0.36 -3.93 -0.12 0.00 -1.82 0.00 0.00 70.33 64.82 2kta n THR 30 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2kta s GLU 31 N -6.30 0.18 2.39 -2.82 2.02 -1.26 -4.88 118.70 108.03 2kta s GLU 31 Ca 0.58 0.07 0.00 0.00 0.02 0.00 0.00 54.97 55.64 2kta s GLU 31 Cb -0.26 0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.06 2kta s GLU 31 CO 0.72 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 176.38 2kta n GLY 32 N 2.79 -0.29 0.23 -1.39 0.00 -1.26 -0.58 105.19 104.70 2kta n GLY 32 Ca -0.14 -1.04 0.11 0.00 0.00 0.00 0.00 46.02 44.95 2kta n GLY 32 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2kta h ASN 33 N 0.00 0.00 0.28 1.61 2.35 -1.99 -2.54 115.58 115.29 2kta h ASN 33 Ca 0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 2kta h ASN 33 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2kta h ASN 33 CO 0.00 0.19 -0.30 -0.07 -1.65 0.00 0.00 177.43 175.60 2kta h LEU 34 N 0.00 0.02 -0.94 1.61 3.38 -1.92 -0.68 115.31 116.78 2kta h LEU 34 Ca -0.00 -0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.09 2kta h LEU 34 Cb 0.64 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.30 2kta h LEU 34 CO 0.02 0.32 0.56 1.23 0.09 0.00 0.00 178.44 180.67 2kta h GLY 35 N 0.91 1.55 1.69 0.83 0.00 -0.39 -0.60 103.07 107.07 2kta h GLY 35 Ca 0.00 -0.36 -0.25 0.00 0.00 0.00 0.00 47.33 46.72 2kta h GLY 35 CO 0.04 0.08 -1.21 -1.33 0.00 0.00 0.00 176.54 174.12 2kta h GLY 36 N 0.85 0.14 0.42 4.60 0.00 -1.52 -3.26 103.07 104.30 2kta h GLY 36 Ca 0.49 -0.35 0.02 0.00 0.00 0.00 0.00 47.33 47.49 2kta h GLY 36 CO -0.30 0.30 -0.31 -0.25 0.00 0.00 0.00 176.54 175.99 2kta h TRP 37 N 0.03 -0.84 -0.04 5.60 7.01 -0.31 -2.32 115.95 125.08 2kta h TRP 37 Ca -0.10 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 60.84 2kta h TRP 37 Cb 1.89 0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 29.30 2kta h TRP 37 CO 0.03 -0.41 -0.34 0.00 -2.79 0.00 0.00 178.44 174.93 2kta h HIS 39 N 0.07 0.76 -0.12 0.00 3.86 -1.50 0.71 115.15 118.93 2kta h HIS 39 Ca 0.01 -0.16 -0.10 0.00 -1.16 0.00 0.00 60.37 58.96 2kta h HIS 39 Cb 0.63 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.92 2kta h HIS 39 CO 0.00 0.83 -0.31 1.15 0.86 0.00 0.00 177.93 180.46 2kta h THR 40 N 0.60 1.38 0.00 2.45 2.02 -1.21 -3.20 112.91 114.95 2kta h THR 40 Ca 0.09 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.65 2kta h THR 40 Cb 0.68 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 2kta h THR 40 CO 0.05 0.48 -0.04 0.00 0.37 0.00 0.00 175.52 176.38 2kta n GLN 41 N -4.40 0.03 0.11 6.66 6.02 -1.10 -2.50 117.38 122.19 2kta n GLN 41 Ca -0.07 0.02 0.17 0.00 -0.01 0.00 0.00 57.00 57.11 2kta n GLN 41 Cb 0.49 -1.53 0.71 0.00 1.02 0.00 0.00 30.24 30.93 2kta n GLN 41 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2kta h ARG 42 N 0.00 0.00 0.00 -1.09 9.65 -0.84 -0.96 114.38 121.14 2kta h ARG 42 Ca 0.00 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 2kta h ARG 42 Cb 0.52 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.10 2kta h ARG 42 CO 0.00 0.00 -0.51 -0.22 2.80 0.00 0.00 179.97 182.04 2kta h LYS 43 N 0.00 0.00 -0.53 0.20 3.64 -1.64 -3.41 116.57 114.83 2kta h LYS 43 Ca 0.16 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.63 2kta h LYS 43 Cb 0.67 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 2kta h LYS 43 CO -0.00 0.18 0.36 0.52 -2.27 0.00 0.00 179.45 178.24 2kta h MET 44 N -1.00 0.33 -0.05 1.90 0.00 -1.52 -2.65 114.93 111.96 2kta h MET 44 Ca -0.05 -0.02 0.02 0.00 0.00 0.00 0.00 59.70 59.65 2kta h MET 44 Cb 0.55 -0.08 -0.02 0.00 0.00 0.00 0.00 31.60 32.06 2kta h MET 44 CO -0.03 0.22 -0.05 -0.09 0.00 0.00 0.00 176.91 176.96 2kta h ARG 45 N 0.34 -0.06 0.00 1.72 1.12 -1.39 0.28 114.38 116.38 2kta h ARG 45 Ca 0.24 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.12 2kta h ARG 45 Cb 0.51 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.49 2kta h ARG 45 CO -0.06 -0.04 -0.14 1.57 -3.11 0.00 0.00 179.97 178.18 2kta h LYS 46 N -0.07 0.00 -0.29 0.20 2.10 -1.71 -3.08 116.57 113.74 2kta h LYS 46 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 2kta h LYS 46 Cb 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 2kta h LYS 46 CO -0.09 0.00 0.00 1.04 -2.00 0.00 0.00 179.45 178.40 2kta n GLN 47 N -2.51 2.45 -2.08 0.07 6.02 -1.00 -4.94 117.38 115.39 2kta n GLN 47 Ca 0.04 -2.17 -0.17 0.00 -0.01 0.00 0.00 57.00 54.70 2kta n GLN 47 Cb 0.47 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.20 2kta n GLN 47 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kta n GLY 48 N 1.46 0.24 0.32 1.08 0.00 -0.13 -4.85 105.19 103.32 2kta n GLY 48 Ca 0.18 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.12 2kta n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kta n LYS 49 N -2.59 0.80 -1.89 1.61 4.76 0.79 -4.95 118.16 116.68 2kta n LYS 49 Ca -0.19 -0.65 -0.40 0.00 -2.87 0.00 0.00 58.31 54.19 2kta n LYS 49 Cb 0.62 -1.49 -0.00 0.00 -1.84 0.00 0.00 35.03 32.33 2kta n LYS 49 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kta s LEU 50 N -2.65 4.27 0.56 -0.35 1.43 -1.03 -4.94 118.68 115.97 2kta s LEU 50 Ca 0.15 2.91 -0.16 0.00 -1.03 0.00 0.00 54.13 56.00 2kta s LEU 50 Cb 0.17 -3.76 -0.05 0.00 0.03 0.00 0.00 46.19 42.58 2kta s LEU 50 CO 0.66 -0.89 1.03 -2.16 0.23 0.00 0.00 176.35 175.23 2kta s PRO 51 N -2.15 3.57 -0.04 1.29 0.04 -1.26 -5.02 135.00 131.43 2kta s PRO 51 Ca 0.55 1.08 -0.22 0.00 0.04 0.00 0.00 61.00 62.45 2kta s PRO 51 Cb -0.44 -2.07 -0.16 0.00 0.04 0.00 0.00 34.50 31.87 2kta s PRO 51 CO 0.58 -0.59 0.95 -0.91 0.04 0.00 0.00 177.00 177.06 2kta h ASN 52 N 0.58 -0.20 -0.74 6.66 4.21 -2.01 -3.27 115.58 120.81 2kta h ASN 52 Ca -0.47 -0.33 0.13 0.00 1.21 0.00 0.00 56.30 56.84 2kta h ASN 52 Cb 1.20 0.05 -0.05 0.00 -1.12 0.00 0.00 38.32 38.41 2kta h ASN 52 CO 0.59 0.32 0.49 0.44 -1.29 0.00 0.00 177.43 177.98 2kta h ASP 53 N -0.83 0.47 -0.77 5.81 3.32 -2.00 -0.54 116.42 121.88 2kta h ASP 53 Ca -0.02 0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.12 2kta h ASP 53 Cb 0.52 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.94 2kta h ASP 53 CO 0.04 0.26 0.45 -0.09 -1.72 0.00 0.00 179.24 178.18 2kta h ARG 54 N 0.50 0.78 -0.16 3.56 1.12 -1.98 0.11 114.38 118.32 2kta h ARG 54 Ca 0.36 -0.05 -0.03 0.00 -1.11 0.00 0.00 59.98 59.15 2kta h ARG 54 Cb 0.69 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 30.47 2kta h ARG 54 CO -0.12 0.52 -0.02 -0.09 -3.11 0.00 0.00 179.97 177.14 2kta h ARG 55 N 0.80 0.29 -0.64 0.20 2.43 -1.18 -2.36 114.38 113.92 2kta h ARG 55 Ca 0.35 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.33 2kta h ARG 55 Cb 0.24 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 2kta h ARG 55 CO -0.20 0.55 0.05 -0.07 -1.51 0.00 0.00 179.97 178.79 2kta h LEU 56 N 0.00 1.06 -0.78 3.80 -0.00 -1.21 0.15 115.31 118.33 2kta h LEU 56 Ca 0.04 -0.28 -0.10 0.00 -0.00 0.00 0.00 57.88 57.54 2kta h LEU 56 Cb 0.44 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.80 2kta h LEU 56 CO 0.01 1.07 -0.17 -0.07 -0.00 0.00 0.00 178.44 179.29 2kta h LEU 57 N 1.01 0.74 -0.82 1.67 4.07 -1.03 -1.24 115.31 119.70 2kta h LEU 57 Ca 0.19 -0.24 -0.11 0.00 0.08 0.00 0.00 57.88 57.80 2kta h LEU 57 Cb 0.50 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.03 2kta h LEU 57 CO 0.02 0.92 -0.27 -0.07 -1.08 0.00 0.00 178.44 177.96 2kta h LEU 58 N 0.66 0.59 -0.95 1.67 -0.00 -0.84 -2.50 115.31 113.94 2kta h LEU 58 Ca 0.10 -0.21 -0.06 0.00 -0.00 0.00 0.00 57.88 57.71 2kta h LEU 58 Cb 0.66 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 41.13 2kta h LEU 58 CO 0.05 0.84 0.07 -0.78 -0.00 0.00 0.00 178.44 178.61 2kta h ASP 59 N 0.50 0.79 0.45 -0.43 1.82 -0.30 0.69 116.42 119.94 2kta h ASP 59 Ca 0.07 -0.17 -0.14 0.00 -0.39 0.00 0.00 57.03 56.40 2kta h ASP 59 Cb 0.72 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.51 2kta h ASP 59 CO 0.06 0.81 -0.62 0.11 -1.61 0.00 0.00 179.24 177.99 2kta h LYS 60 N 0.79 0.16 0.00 0.28 6.56 -0.92 -2.73 116.57 120.71 2kta h LYS 60 Ca 0.16 -0.11 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 2kta h LYS 60 Cb 0.38 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.05 2kta h LYS 60 CO 0.01 0.73 -0.29 0.44 -2.06 0.00 0.00 179.45 178.28 2kta n ILE 61 N -3.85 0.28 0.00 1.86 -5.35 -0.97 -4.94 119.36 106.40 2kta n ILE 61 Ca -0.02 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 2kta n ILE 61 Cb 0.62 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.25 2kta n ILE 61 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kta n GLY 62 N 1.39 1.52 3.69 3.28 0.00 -0.87 -4.66 105.19 109.54 2kta n GLY 62 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2kta n GLY 62 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2kta s PHE 63 N -2.00 3.21 -0.02 1.61 5.36 0.18 -4.85 117.98 121.48 2kta s PHE 63 Ca 0.00 1.19 -0.21 0.00 -0.96 0.00 0.00 56.93 56.94 2kta s PHE 63 Cb 0.00 -3.45 -0.05 0.00 -0.34 0.00 0.00 43.02 39.18 2kta s PHE 63 CO 0.00 -1.45 0.62 0.54 -1.46 0.00 0.00 175.22 173.47 2kta s VAL 64 N 1.93 4.93 -0.58 3.12 0.11 -1.26 -4.72 120.40 123.93 2kta s VAL 64 Ca 0.58 1.29 0.00 0.00 -2.93 0.00 0.00 61.98 60.92 2kta s VAL 64 Cb -0.27 -3.96 0.48 0.00 -1.53 0.00 0.00 36.38 31.11 2kta s VAL 64 CO 0.25 0.38 1.90 0.79 -3.33 0.00 0.00 175.10 175.08 2kta n TRP 65 N 2.95 3.07 -2.89 1.54 7.02 -1.26 -4.89 117.44 122.97 2kta n TRP 65 Ca -0.06 -2.71 -0.43 0.00 -1.02 0.00 0.00 57.50 53.28 2kta n TRP 65 Cb 0.51 -1.21 -0.05 0.00 -2.42 0.00 0.00 31.31 28.14 2kta n TRP 65 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2kta s SER 66 N -2.00 6.46 -0.58 -0.99 1.04 -1.26 -5.00 113.70 111.37 2kta s SER 66 Ca 0.61 0.03 -0.20 0.00 0.48 0.00 0.00 55.95 56.87 2kta s SER 66 Cb 0.49 -2.42 0.08 0.00 0.10 0.00 0.00 66.02 64.27 2kta s SER 66 CO 0.01 -0.97 0.75 -0.76 0.98 0.00 0.00 173.24 173.25 2kta s LEU 67 N 3.51 5.01 -0.14 2.42 1.02 -1.26 -4.82 118.68 124.41 2kta s LEU 67 Ca 0.33 -1.15 0.16 0.00 0.02 0.00 0.00 54.13 53.49 2kta s LEU 67 Cb -0.11 -2.39 -0.24 0.00 0.02 0.00 0.00 46.19 43.46 2kta s LEU 67 CO 0.24 -1.12 0.28 -1.84 0.02 0.00 0.00 176.35 173.93 2kta n GLU 68 N 6.61 0.67 -2.59 1.70 0.00 -1.26 -4.81 120.64 120.97 2kta n GLU 68 Ca -0.07 0.11 -0.42 0.00 0.00 0.00 0.00 57.16 56.77 2kta n GLU 68 Cb 0.44 -1.62 -0.03 0.00 0.00 0.00 0.00 31.44 30.23 2kta n GLU 68 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2kta s HIS 69 N -2.53 2.56 0.00 -1.84 3.76 -1.26 -4.99 115.29 110.98 2kta s HIS 69 Ca -0.09 0.32 0.00 0.00 -0.15 0.00 0.00 55.06 55.14 2kta s HIS 69 Cb 0.07 -4.52 0.00 0.00 1.11 0.00 0.00 32.58 29.24 2kta s HIS 69 CO 0.82 -1.66 0.00 0.72 -0.85 0.00 0.00 174.74 173.77 2kta n HIS 70 N 8.57 -1.23 -3.83 1.40 8.25 -1.26 -5.13 115.22 121.98 2kta n HIS 70 Ca 0.07 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.27 2kta n HIS 70 Cb 0.49 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.43 2kta n HIS 70 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kta s HIS 71 N 0.30 1.25 -0.18 4.41 3.76 -1.26 -5.10 115.29 118.47 2kta s HIS 71 Ca 0.00 -0.73 -0.15 0.00 -0.15 0.00 0.00 55.06 54.03 2kta s HIS 71 Cb 0.00 -1.10 -0.04 0.00 1.11 0.00 0.00 32.58 32.54 2kta s HIS 71 CO 0.00 -0.52 0.35 -1.01 -0.85 0.00 0.00 174.74 172.71 2kta s HIS 72 N 1.78 3.43 0.00 1.40 3.76 -1.26 -5.04 115.29 119.36 2kta s HIS 72 Ca 0.02 0.62 -0.30 0.00 -0.15 0.00 0.00 55.06 55.25 2kta s HIS 72 Cb -0.14 -2.43 -0.06 0.00 1.11 0.00 0.00 32.58 31.06 2kta s HIS 72 CO -0.07 0.13 1.48 -1.58 -0.85 0.00 0.00 174.74 173.85 2kta s HIS 73 N 0.83 2.64 -2.50 1.40 2.46 -1.26 -5.35 115.29 113.52 2kta s HIS 73 Ca 0.18 0.64 0.28 0.00 0.47 0.00 0.00 55.06 56.63 2kta s HIS 73 Cb -0.14 -3.76 1.05 0.00 -0.13 0.00 0.00 32.58 29.61 2kta s HIS 73 CO 0.06 -2.91 1.75 0.72 -2.47 0.00 0.00 174.74 171.89