#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 2.30 0.00 6.12 -0.87 -1.26 -4.95 114.94 116.28 2kta s ASN 2 Ca 0.00 -0.49 0.20 0.00 -1.57 0.00 0.00 52.86 51.00 2kta s ASN 2 Cb 0.00 -0.49 0.63 0.00 -0.02 0.00 0.00 41.25 41.36 2kta s ASN 2 CO 0.00 -0.26 1.48 0.00 -2.57 0.00 0.00 177.10 175.75 2kta n GLN 3 N 5.11 1.94 -2.11 -0.60 6.02 -1.26 -4.87 117.38 121.61 2kta n GLN 3 Ca -0.08 -1.42 -0.42 0.00 -0.01 0.00 0.00 57.00 55.07 2kta n GLN 3 Cb 0.49 -1.41 -0.03 0.00 1.02 0.00 0.00 30.24 30.31 2kta n GLN 3 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2kta s ASN 4 N -1.49 6.74 -0.63 1.08 3.84 -1.26 -4.93 114.94 118.30 2kta s ASN 4 Ca 0.33 2.13 -0.27 0.00 0.21 0.00 0.00 52.86 55.26 2kta s ASN 4 Cb 0.18 -2.54 -0.01 0.00 -0.55 0.00 0.00 41.25 38.34 2kta s ASN 4 CO 0.27 -0.87 1.71 -0.76 -2.79 0.00 0.00 177.10 174.66 2kta s LEU 5 N 3.66 3.28 -0.10 3.21 1.02 -1.26 -4.91 118.68 123.57 2kta s LEU 5 Ca 0.69 0.20 -0.14 0.00 0.02 0.00 0.00 54.13 54.90 2kta s LEU 5 Cb -0.31 -2.61 0.03 0.00 0.02 0.00 0.00 46.19 43.33 2kta s LEU 5 CO 0.26 -2.20 0.37 -1.58 0.02 0.00 0.00 176.35 173.22 2kta s GLN 6 N 6.62 0.53 -0.58 1.70 -0.44 -1.26 -5.09 119.66 121.14 2kta s GLN 6 Ca 0.60 0.30 -0.33 0.00 -2.50 0.00 0.00 55.36 53.44 2kta s GLN 6 Cb -0.12 0.25 -0.14 0.00 -1.64 0.00 0.00 33.01 31.36 2kta s GLN 6 CO 0.20 -0.10 2.39 0.41 0.50 0.00 0.00 175.29 178.69 2kta n GLY 7 N 2.33 0.07 0.12 2.59 0.00 -1.26 -4.83 105.19 104.20 2kta n GLY 7 Ca -0.16 0.95 -0.13 0.00 0.00 0.00 0.00 46.02 46.68 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 13.63 -0.18 -0.47 1.61 4.81 -1.98 -0.88 114.58 131.11 2kta h GLU 8 Ca -0.18 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.08 2kta h GLU 8 Cb 1.32 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.71 2kta h GLU 8 CO 1.17 0.08 0.29 2.35 -0.73 0.00 0.00 179.01 182.16 2kta h TRP 9 N -0.43 0.54 -0.98 0.92 -0.00 -1.98 0.66 115.95 114.69 2kta h TRP 9 Ca -0.02 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 2kta h TRP 9 Cb 0.34 -0.18 -0.05 0.00 -0.00 0.00 0.00 29.16 29.28 2kta h TRP 9 CO 0.01 0.32 0.62 0.52 -0.00 0.00 0.00 178.44 179.91 2kta h MET 10 N 0.58 1.31 0.27 2.65 2.86 -1.94 0.18 114.93 120.84 2kta h MET 10 Ca 0.18 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 2kta h MET 10 Cb -0.01 -0.29 0.00 0.00 0.06 0.00 0.00 31.60 31.37 2kta h MET 10 CO -0.07 0.89 -0.13 -0.22 1.06 0.00 0.00 176.91 178.44 2kta h LYS 11 N 1.34 -0.35 -0.24 1.72 3.64 -0.31 -3.26 116.57 119.10 2kta h LYS 11 Ca 0.36 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.70 2kta h LYS 11 Cb -0.11 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2kta h LYS 11 CO -0.07 0.00 -0.09 -0.91 -2.27 0.00 0.00 179.45 176.11 2kta h ASN 12 N -0.84 0.37 0.14 4.20 4.21 0.44 -2.78 115.58 121.31 2kta h ASN 12 Ca -0.04 -0.08 -0.00 0.00 1.21 0.00 0.00 56.30 57.39 2kta h ASN 12 Cb 0.51 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.61 2kta h ASN 12 CO 0.06 0.50 -0.10 0.22 -1.29 0.00 0.00 177.43 176.82 2kta h TYR 13 N 0.37 -0.26 -0.94 1.19 3.20 -0.73 0.36 116.97 120.15 2kta h TYR 13 Ca 0.07 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.96 2kta h TYR 13 Cb 0.39 0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.71 2kta h TYR 13 CO 0.01 -0.16 0.62 0.93 -1.64 0.00 0.00 178.16 177.92 2kta h GLU 14 N -0.24 1.21 -0.28 1.82 4.39 -1.56 0.18 114.58 120.09 2kta h GLU 14 Ca -0.01 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 2kta h GLU 14 Cb 0.22 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2kta h GLU 14 CO -0.01 0.80 0.00 0.93 -1.16 0.00 0.00 179.01 179.57 2kta h GLU 15 N 1.24 0.49 -0.48 2.33 4.39 -1.18 -1.81 114.58 119.56 2kta h GLU 15 Ca 0.35 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 2kta h GLU 15 Cb -0.10 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 2kta h GLU 15 CO -0.09 0.65 0.20 1.25 -1.16 0.00 0.00 179.01 179.86 2kta h LEU 16 N 0.28 0.65 -0.04 1.33 5.85 0.27 -0.80 115.31 122.85 2kta h LEU 16 Ca 0.08 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.68 2kta h LEU 16 Cb 0.42 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 2kta h LEU 16 CO 0.01 0.63 -0.42 0.11 -0.34 0.00 0.00 178.44 178.43 2kta h LYS 17 N 0.64 -0.53 -0.79 1.25 1.57 -0.58 0.99 116.57 119.11 2kta h LYS 17 Ca 0.16 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.07 2kta h LYS 17 Cb 0.17 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.53 2kta h LYS 17 CO -0.02 -0.36 0.45 0.77 -0.57 0.00 0.00 179.45 179.73 2kta h SER 18 N -0.55 0.64 -0.15 0.86 0.02 -1.10 0.38 113.55 113.65 2kta h SER 18 Ca 0.05 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2kta h SER 18 Cb 0.65 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 2kta h SER 18 CO -0.34 0.38 0.07 -0.26 -1.14 0.00 0.00 176.83 175.53 2kta h PHE 19 N 0.77 0.21 -0.15 3.45 0.04 -0.59 -2.58 116.94 118.10 2kta h PHE 19 Ca 0.38 -0.01 -0.13 0.00 2.80 0.00 0.00 57.97 61.00 2kta h PHE 19 Cb 0.33 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.42 2kta h PHE 19 CO -0.07 0.27 -0.42 0.28 -0.60 0.00 0.00 178.31 177.77 2kta h VAL 20 N 0.10 1.35 0.00 -0.55 2.07 -0.18 0.11 116.25 119.16 2kta h VAL 20 Ca 0.05 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 65.87 2kta h VAL 20 Cb 0.14 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2kta h VAL 20 CO -0.01 0.51 0.00 0.08 0.02 0.00 0.00 177.57 178.18 2kta h ARG 21 N 0.17 0.00 0.00 1.57 -0.00 -0.31 0.15 114.38 115.96 2kta h ARG 21 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.97 2kta h ARG 21 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.01 2kta h ARG 21 CO 0.09 0.00 0.00 1.63 -0.00 0.00 0.00 179.97 181.69 2kta n LYS 22 N -2.41 0.00 0.00 0.08 5.02 -0.97 -4.85 118.16 115.03 2kta n LYS 22 Ca -0.00 0.23 0.02 0.00 -2.02 0.00 0.00 58.31 56.54 2kta n LYS 22 Cb 0.13 -0.68 -0.01 0.00 -0.02 0.00 0.00 35.03 34.45 2kta n LYS 22 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2kta n TYR 23 N -1.82 0.00 -1.16 2.13 4.01 0.00 -4.98 117.16 115.34 2kta n TYR 23 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 2kta n TYR 23 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 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 -0.67 -1.26 -3.83 -0.72 3.00 0.52 -4.91 116.66 108.79 2kta n ARG 24 Ca 0.01 0.60 -0.07 0.00 -0.01 0.00 0.00 57.85 58.38 2kta n ARG 24 Cb 0.07 -4.67 0.01 0.00 0.00 0.00 0.00 32.46 27.87 2kta n ARG 24 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 2kta s ARG 25 N -2.08 1.87 -0.82 5.56 1.70 -1.26 -4.62 118.95 119.31 2kta s ARG 25 Ca 0.00 -1.15 -0.09 0.00 -0.47 0.00 0.00 55.73 54.02 2kta s ARG 25 Cb 0.00 0.56 0.21 0.00 -0.57 0.00 0.00 34.95 35.15 2kta s ARG 25 CO 0.00 -0.87 0.73 -0.06 -1.08 0.00 0.00 175.30 174.01 2kta s PHE 26 N -2.81 3.75 0.28 5.89 0.08 -1.26 -4.68 117.98 119.23 2kta s PHE 26 Ca 0.15 -2.39 0.08 0.00 0.12 0.00 0.00 56.93 54.89 2kta s PHE 26 Cb -0.05 -3.60 0.39 0.00 -0.57 0.00 0.00 43.02 39.20 2kta s PHE 26 CO 0.08 -0.92 1.64 -1.35 -0.10 0.00 0.00 175.22 174.58 2kta h PRO 27 N 7.24 0.12 -4.10 0.24 0.11 -1.97 -3.41 132.00 130.24 2kta h PRO 27 Ca 0.09 -0.07 -0.56 0.00 0.11 0.00 0.00 66.00 65.56 2kta h PRO 27 Cb 0.97 0.01 -0.38 0.00 0.11 0.00 0.00 31.00 31.71 2kta h PRO 27 CO 0.78 0.63 -0.79 0.15 -0.21 0.00 0.00 178.00 178.57 2kta s LYS 28 N -3.84 1.34 -1.34 1.05 -0.14 -1.26 -5.05 119.74 110.50 2kta s LYS 28 Ca -0.03 -0.63 -0.14 0.00 -1.36 0.00 0.00 55.97 53.81 2kta s LYS 28 Cb 0.13 -2.19 0.10 0.00 -1.68 0.00 0.00 37.83 34.19 2kta s LYS 28 CO 0.77 -0.52 1.89 0.45 -0.76 0.00 0.00 175.35 177.19 2kta n SER 29 N 4.85 4.64 -0.59 2.83 2.88 -1.26 -4.39 113.62 122.57 2kta n SER 29 Ca -0.11 -2.94 0.06 0.00 -1.33 0.00 0.00 58.87 54.55 2kta n SER 29 Cb 0.47 -1.63 0.11 0.00 -0.75 0.00 0.00 64.21 62.40 2kta n SER 29 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2kta n THR 30 N 5.03 0.48 -3.83 2.46 -2.24 -1.26 -4.95 114.28 109.97 2kta n THR 30 Ca 0.46 -0.74 -0.36 0.00 -2.27 0.00 0.00 64.05 61.15 2kta n THR 30 Cb 0.41 0.89 -0.13 0.00 -2.10 0.00 0.00 70.33 69.40 2kta n THR 30 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2kta s GLU 31 N -1.01 3.56 0.15 -0.78 -6.30 -1.26 -5.00 118.70 108.06 2kta s GLU 31 Ca 0.20 -0.53 -0.06 0.00 -2.50 0.00 0.00 54.97 52.08 2kta s GLU 31 Cb 0.12 -3.20 -0.03 0.00 0.00 0.00 0.00 34.13 31.02 2kta s GLU 31 CO 0.16 -0.18 1.38 0.78 0.02 0.00 0.00 175.26 177.42 2kta h GLY 32 N 8.15 0.60 0.54 -1.50 0.00 -1.98 -1.68 103.07 107.20 2kta h GLY 32 Ca -0.39 -0.86 -0.01 0.00 0.00 0.00 0.00 47.33 46.06 2kta h GLY 32 CO 0.59 0.77 -0.12 3.43 0.00 0.00 0.00 176.54 181.20 2kta h ASN 33 N 0.37 -0.28 0.09 0.19 2.35 -1.99 -1.63 115.58 114.68 2kta h ASN 33 Ca -0.04 -0.24 -0.06 0.00 -0.55 0.00 0.00 56.30 55.40 2kta h ASN 33 Cb 1.36 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.79 2kta h ASN 33 CO 0.14 0.16 -0.21 -0.07 -1.65 0.00 0.00 177.43 175.80 2kta h LEU 34 N -0.81 0.22 -1.04 1.61 -0.00 -1.95 0.23 115.31 113.58 2kta h LEU 34 Ca -0.03 -0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 57.78 2kta h LEU 34 Cb 0.51 -0.06 -0.04 0.00 -0.00 0.00 0.00 40.66 41.07 2kta h LEU 34 CO 0.06 0.44 0.48 1.23 -0.00 0.00 0.00 178.44 180.64 2kta h GLY 35 N 0.87 1.23 1.81 0.83 0.00 -1.22 -0.63 103.07 105.96 2kta h GLY 35 Ca 0.04 -0.53 -0.24 0.00 0.00 0.00 0.00 47.33 46.60 2kta h GLY 35 CO 0.03 0.51 -1.13 -1.33 0.00 0.00 0.00 176.54 174.63 2kta h GLY 36 N 1.18 0.09 0.89 4.60 0.00 -0.73 -3.24 103.07 105.85 2kta h GLY 36 Ca 0.30 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 2kta h GLY 36 CO -0.05 0.21 -0.16 -0.25 0.00 0.00 0.00 176.54 176.28 2kta h TRP 37 N 0.02 -0.43 -0.81 5.60 7.01 0.03 0.98 115.95 128.36 2kta h TRP 37 Ca -0.07 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.90 2kta h TRP 37 Cb 1.85 0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 29.03 2kta h TRP 37 CO 0.02 -0.25 0.40 0.00 -2.79 0.00 0.00 178.44 175.81 2kta h HIS 39 N 1.14 0.55 -0.49 0.00 3.86 -1.53 -0.88 115.15 117.80 2kta h HIS 39 Ca 0.28 -0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.36 2kta h HIS 39 Cb 0.10 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.38 2kta h HIS 39 CO 0.01 0.45 -0.09 1.15 0.86 0.00 0.00 177.93 180.31 2kta h THR 40 N 0.48 1.26 0.00 2.45 2.02 -0.44 -2.86 112.91 115.82 2kta h THR 40 Ca 0.13 -1.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.10 2kta h THR 40 Cb 0.11 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 2kta h THR 40 CO -0.02 0.42 -0.06 -0.61 0.37 0.00 0.00 175.52 175.62 2kta h GLN 41 N 0.81 0.00 -0.62 6.66 5.75 -0.29 -2.61 115.11 124.80 2kta h GLN 41 Ca 0.13 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.64 2kta h GLN 41 Cb 0.61 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.13 2kta h GLN 41 CO 0.04 0.06 0.41 0.00 -2.65 0.00 0.00 178.83 176.69 2kta h ARG 42 N 0.00 0.80 -0.60 1.69 2.47 -0.92 -1.51 114.38 116.32 2kta h ARG 42 Ca -0.00 -0.05 -0.06 0.00 -1.26 0.00 0.00 59.98 58.61 2kta h ARG 42 Cb 0.69 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.81 2kta h ARG 42 CO 0.01 0.53 0.13 0.87 0.56 0.00 0.00 179.97 182.07 2kta h LYS 43 N 0.83 0.97 -0.87 0.04 6.56 -1.54 -2.19 116.57 120.37 2kta h LYS 43 Ca 0.23 -0.24 0.05 0.00 -1.06 0.00 0.00 60.65 59.63 2kta h LYS 43 Cb -0.08 -0.12 -0.06 0.00 -0.57 0.00 0.00 32.23 31.40 2kta h LYS 43 CO -0.06 0.90 0.55 0.52 -2.06 0.00 0.00 179.45 179.30 2kta h MET 44 N 0.88 1.00 -0.01 3.15 2.86 -1.30 0.19 114.93 121.69 2kta h MET 44 Ca 0.19 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 2kta h MET 44 Cb 0.37 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 2kta h MET 44 CO 0.01 0.66 -0.01 -0.09 1.06 0.00 0.00 176.91 178.53 2kta h ARG 45 N 1.03 0.03 0.00 1.72 1.12 -1.11 0.11 114.38 117.28 2kta h ARG 45 Ca 0.37 -0.02 -0.04 0.00 -1.11 0.00 0.00 59.98 59.18 2kta h ARG 45 Cb 0.10 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.06 2kta h ARG 45 CO -0.15 0.51 -0.20 1.57 -3.11 0.00 0.00 179.97 178.59 2kta h LYS 46 N -0.45 0.00 -0.00 0.20 2.10 -1.09 -2.28 116.57 115.05 2kta h LYS 46 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kta h LYS 46 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 2kta h LYS 46 CO 0.00 0.20 -0.23 0.94 -2.00 0.00 0.00 179.45 178.36 2kta n GLN 47 N -3.22 0.17 -2.79 0.07 7.27 0.65 -4.94 117.38 114.59 2kta n GLN 47 Ca 0.02 -0.07 -0.10 0.00 0.07 0.00 0.00 57.00 56.92 2kta n GLN 47 Cb 0.52 -1.50 0.03 0.00 2.41 0.00 0.00 30.24 31.69 2kta n GLN 47 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kta n GLY 48 N 1.45 0.22 0.08 1.69 0.00 -0.86 -4.93 105.19 102.84 2kta n GLY 48 Ca 0.08 -0.32 0.01 0.00 0.00 0.00 0.00 46.02 45.79 2kta n GLY 48 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kta n LYS 49 N -2.35 1.04 -1.92 1.61 2.85 0.24 -5.04 118.16 114.58 2kta n LYS 49 Ca -0.02 -1.08 -0.41 0.00 -1.05 0.00 0.00 58.31 55.74 2kta n LYS 49 Cb 0.54 -0.75 -0.02 0.00 -0.65 0.00 0.00 35.03 34.15 2kta n LYS 49 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2kta s LEU 50 N -0.59 4.37 0.29 -5.58 1.43 -0.35 -4.94 118.68 113.32 2kta s LEU 50 Ca 0.03 2.79 -0.29 0.00 -1.03 0.00 0.00 54.13 55.63 2kta s LEU 50 Cb 0.03 -3.63 -0.10 0.00 0.03 0.00 0.00 46.19 42.52 2kta s LEU 50 CO 0.00 -0.78 1.26 -2.84 0.23 0.00 0.00 176.35 174.22 2kta s PRO 51 N -0.50 4.43 0.31 1.29 0.02 -1.26 -4.93 135.00 134.36 2kta s PRO 51 Ca 0.60 2.09 0.09 0.00 0.02 0.00 0.00 61.00 63.81 2kta s PRO 51 Cb -0.44 -3.12 0.50 0.00 0.02 0.00 0.00 34.50 31.46 2kta s PRO 51 CO 0.46 -0.11 1.71 -0.91 -0.33 0.00 0.00 177.00 177.82 2kta h ASN 52 N 3.91 0.11 -0.06 2.53 2.35 -1.99 -1.16 115.58 121.27 2kta h ASN 52 Ca -0.48 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.19 2kta h ASN 52 Cb 1.22 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.56 2kta h ASN 52 CO 0.68 0.56 -0.11 -0.78 -1.65 0.00 0.00 177.43 176.13 2kta h ASP 53 N 0.08 0.21 -0.64 5.81 3.58 -1.98 -2.03 116.42 121.44 2kta h ASP 53 Ca 0.00 -0.56 -0.02 0.00 0.42 0.00 0.00 57.03 56.88 2kta h ASP 53 Cb 0.85 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.81 2kta h ASP 53 CO 0.06 0.73 0.33 -0.09 -2.88 0.00 0.00 179.24 177.39 2kta h ARG 54 N -0.30 0.91 -0.12 0.28 2.43 -1.93 0.05 114.38 115.71 2kta h ARG 54 Ca 0.00 -0.12 -0.07 0.00 -0.81 0.00 0.00 59.98 58.98 2kta h ARG 54 Cb 0.69 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 2kta h ARG 54 CO 0.03 0.71 -0.27 0.07 -1.51 0.00 0.00 179.97 179.00 2kta h ARG 55 N 0.88 0.21 -0.29 0.20 0.11 -1.26 -2.49 114.38 111.73 2kta h ARG 55 Ca 0.22 -0.07 -0.16 0.00 0.10 0.00 0.00 59.98 60.08 2kta h ARG 55 Cb 0.08 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.13 2kta h ARG 55 CO -0.03 0.46 -0.44 1.25 0.10 0.00 0.00 179.97 181.31 2kta h LEU 56 N 0.19 0.80 -1.13 0.08 5.85 -0.56 -2.44 115.31 118.11 2kta h LEU 56 Ca 0.03 -0.38 0.01 0.00 0.84 0.00 0.00 57.88 58.38 2kta h LEU 56 Cb 0.57 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 2kta h LEU 56 CO 0.04 1.13 0.59 -0.07 -0.34 0.00 0.00 178.44 179.79 2kta h LEU 57 N 0.60 1.02 -0.18 2.25 3.38 -0.62 0.12 115.31 121.88 2kta h LEU 57 Ca 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2kta h LEU 57 Cb 1.00 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2kta h LEU 57 CO 0.10 0.73 0.08 -0.07 0.09 0.00 0.00 178.44 179.37 2kta h LEU 58 N 1.20 0.24 -1.17 1.67 4.07 -1.20 -0.90 115.31 119.21 2kta h LEU 58 Ca 0.33 -0.13 -0.03 0.00 0.08 0.00 0.00 57.88 58.13 2kta h LEU 58 Cb -0.12 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 41.53 2kta h LEU 58 CO -0.08 0.30 0.23 -0.78 -1.08 0.00 0.00 178.44 177.04 2kta h ASP 59 N 0.15 0.74 -0.53 -0.43 3.58 -0.95 0.38 116.42 119.36 2kta h ASP 59 Ca 0.06 -0.09 -0.12 0.00 0.42 0.00 0.00 57.03 57.30 2kta h ASP 59 Cb 0.13 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 2kta h ASP 59 CO -0.01 0.66 -0.15 0.11 -2.88 0.00 0.00 179.24 176.97 2kta h LYS 60 N 0.81 1.03 0.00 0.28 6.56 -0.69 -2.43 116.57 122.13 2kta h LYS 60 Ca 0.19 -0.41 0.00 0.00 -1.06 0.00 0.00 60.65 59.38 2kta h LYS 60 Cb 0.15 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 2kta h LYS 60 CO -0.02 1.10 0.00 0.44 -2.06 0.00 0.00 179.45 178.91 2kta n ILE 61 N -4.13 0.63 0.00 1.86 -5.35 -0.37 -4.88 119.36 107.12 2kta n ILE 61 Ca 0.01 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 2kta n ILE 61 Cb 0.43 -0.78 0.00 0.00 -1.74 0.00 0.00 39.64 37.55 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 0.85 1.54 3.72 3.28 0.00 -0.60 -4.35 105.19 109.63 2kta n GLY 62 Ca 0.04 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 0.12 -4.90 117.98 121.37 2kta s PHE 63 Ca 0.00 0.94 -0.14 0.00 -0.96 0.00 0.00 56.93 56.77 2kta s PHE 63 Cb 0.00 -3.71 -0.05 0.00 -0.34 0.00 0.00 43.02 38.91 2kta s PHE 63 CO 0.00 -2.49 0.37 0.54 -1.46 0.00 0.00 175.22 172.18 2kta s VAL 64 N 0.96 5.09 -1.18 3.12 0.11 -1.26 -4.49 120.40 122.76 2kta s VAL 64 Ca 0.64 0.75 0.05 0.00 -2.93 0.00 0.00 61.98 60.50 2kta s VAL 64 Cb -0.38 -3.67 0.24 0.00 -1.53 0.00 0.00 36.38 31.04 2kta s VAL 64 CO 0.32 0.58 0.99 0.79 -3.33 0.00 0.00 175.10 174.45 2kta n TRP 65 N 1.85 0.55 -2.32 1.54 7.02 -1.26 -5.01 117.44 119.81 2kta n TRP 65 Ca -0.15 -0.21 0.09 0.00 -1.02 0.00 0.00 57.50 56.21 2kta n TRP 65 Cb 0.53 -0.15 -0.02 0.00 -2.42 0.00 0.00 31.31 29.24 2kta n TRP 65 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2kta n SER 66 N 0.20 -5.26 -4.77 -0.99 2.88 -1.26 -4.77 113.62 99.65 2kta n SER 66 Ca 0.09 0.69 -0.39 0.00 -1.33 0.00 0.00 58.87 57.92 2kta n SER 66 Cb 0.43 -1.93 -0.06 0.00 -0.75 0.00 0.00 64.21 61.90 2kta n SER 66 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2kta s LEU 67 N 0.00 4.51 0.14 2.46 1.02 -1.26 -5.07 118.68 120.48 2kta s LEU 67 Ca 0.00 1.47 0.07 0.00 0.02 0.00 0.00 54.13 55.70 2kta s LEU 67 Cb 0.00 -3.18 -0.04 0.00 0.02 0.00 0.00 46.19 42.99 2kta s LEU 67 CO 0.00 0.13 -0.17 -1.83 0.02 0.00 0.00 176.35 174.50 2kta s GLU 68 N -0.63 1.16 -0.82 1.70 -1.05 -1.26 -5.08 118.70 112.71 2kta s GLU 68 Ca 0.35 -1.31 -0.18 0.00 -0.15 0.00 0.00 54.97 53.68 2kta s GLU 68 Cb -0.21 -1.18 0.13 0.00 -0.44 0.00 0.00 34.13 32.43 2kta s GLU 68 CO 0.23 0.24 0.98 -1.01 0.95 0.00 0.00 175.26 176.65 2kta s HIS 69 N -1.94 3.15 -0.25 4.83 3.76 -1.26 -5.01 115.29 118.57 2kta s HIS 69 Ca 0.12 -1.31 -0.11 0.00 -0.15 0.00 0.00 55.06 53.61 2kta s HIS 69 Cb -0.06 -4.16 -0.05 0.00 1.11 0.00 0.00 32.58 29.41 2kta s HIS 69 CO 0.05 -1.40 0.16 -1.58 -0.85 0.00 0.00 174.74 171.13 2kta s HIS 70 N 2.45 3.29 -0.04 1.40 2.46 -1.26 -5.03 115.29 118.55 2kta s HIS 70 Ca 0.25 0.19 -0.30 0.00 0.47 0.00 0.00 55.06 55.68 2kta s HIS 70 Cb -0.10 -2.29 -0.06 0.00 -0.13 0.00 0.00 32.58 30.00 2kta s HIS 70 CO -0.04 0.02 1.65 -1.01 -2.47 0.00 0.00 174.74 172.89 2kta s HIS 71 N 1.20 2.00 0.20 3.88 3.76 -1.26 -4.90 115.29 120.17 2kta s HIS 71 Ca 0.07 0.20 -0.31 0.00 -0.15 0.00 0.00 55.06 54.87 2kta s HIS 71 Cb -0.14 -3.92 -0.10 0.00 1.11 0.00 0.00 32.58 29.53 2kta s HIS 71 CO 0.06 -3.85 1.53 -3.38 -0.85 0.00 0.00 174.74 168.24 2kta s HIS 72 N 3.94 3.02 -0.73 1.40 -3.43 -1.26 -4.89 115.29 113.35 2kta s HIS 72 Ca 0.73 0.77 0.23 0.00 -0.80 0.00 0.00 55.06 56.00 2kta s HIS 72 Cb -0.34 -3.90 0.08 0.00 -1.43 0.00 0.00 32.58 26.99 2kta s HIS 72 CO 0.30 -3.18 1.07 0.72 -2.00 0.00 0.00 174.74 171.65 2kta n HIS 73 N 3.28 0.18 0.55 0.38 8.25 -1.26 -5.35 115.22 121.25 2kta n HIS 73 Ca 0.11 0.05 0.07 0.00 -0.26 0.00 0.00 57.72 57.69 2kta n HIS 73 Cb 0.39 -0.34 0.06 0.00 1.12 0.00 0.00 29.99 31.22 2kta n HIS 73 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70