#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kta n ASN 2 N 0.00 -0.34 -4.57 7.83 6.94 -1.26 -5.09 115.26 118.78 2kta n ASN 2 Ca 0.00 -2.11 -0.39 0.00 -0.02 0.00 0.00 54.58 52.05 2kta n ASN 2 Cb 0.00 0.22 -0.03 0.00 -2.36 0.00 0.00 39.78 37.61 2kta n ASN 2 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kta n GLN 3 N -0.89 1.41 -2.39 -3.83 3.00 -1.26 -4.94 117.38 108.48 2kta n GLN 3 Ca -0.10 0.22 -0.24 0.00 -0.01 0.00 0.00 57.00 56.87 2kta n GLN 3 Cb 0.85 -3.31 0.08 0.00 0.00 0.00 0.00 30.24 27.87 2kta n GLN 3 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 2kta s ASN 4 N 10.47 4.61 -1.15 1.08 -0.87 -1.26 -5.01 114.94 122.81 2kta s ASN 4 Ca 1.00 0.08 -0.09 0.00 -1.57 0.00 0.00 52.86 52.28 2kta s ASN 4 Cb -0.27 -0.64 0.25 0.00 -0.02 0.00 0.00 41.25 40.56 2kta s ASN 4 CO 0.31 -1.69 1.36 -0.11 -2.57 0.00 0.00 177.10 174.40 2kta n LEU 5 N -2.85 5.77 -4.60 0.60 7.94 -1.26 -5.01 117.00 117.60 2kta n LEU 5 Ca 0.11 -4.89 -0.31 0.00 -1.11 0.00 0.00 56.01 49.81 2kta n LEU 5 Cb 0.60 -1.47 -0.10 0.00 0.53 0.00 0.00 43.42 42.98 2kta n LEU 5 CO 0.47 1.27 -0.40 -1.58 -1.11 0.00 0.00 177.39 176.04 2kta s GLN 6 N -0.71 2.33 0.00 1.96 2.00 -1.26 -4.99 119.66 118.99 2kta s GLN 6 Ca 0.35 -0.89 0.00 0.00 -2.00 0.00 0.00 55.36 52.82 2kta s GLN 6 Cb -0.03 -2.40 0.00 0.00 0.80 0.00 0.00 33.01 31.38 2kta s GLN 6 CO -0.01 0.55 0.89 0.41 -0.50 0.00 0.00 175.29 176.63 2kta n GLY 7 N 1.00 1.79 0.10 2.59 0.00 -1.26 -4.01 105.19 105.40 2kta n GLY 7 Ca -0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.99 2kta n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kta n GLU 8 N 0.54 0.15 -0.04 1.61 4.07 -1.26 -1.79 120.64 123.92 2kta n GLU 8 Ca 0.00 0.36 -0.11 0.00 -0.06 0.00 0.00 57.16 57.35 2kta n GLU 8 Cb 0.45 -1.77 -0.05 0.00 -0.06 0.00 0.00 31.44 30.00 2kta n GLU 8 CO 0.00 0.00 0.00 2.35 -0.06 0.00 0.00 177.13 179.42 2kta h TRP 9 N 0.00 0.24 -0.90 4.31 -0.00 -1.99 0.47 115.95 118.07 2kta h TRP 9 Ca 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 58.86 2kta h TRP 9 Cb 0.37 -0.07 -0.04 0.00 -0.00 0.00 0.00 29.16 29.41 2kta h TRP 9 CO 0.00 0.29 0.53 0.52 -0.00 0.00 0.00 178.44 179.78 2kta h MET 10 N 0.11 1.24 -0.02 2.65 2.86 -1.70 0.12 114.93 120.20 2kta h MET 10 Ca 0.05 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2kta h MET 10 Cb 0.15 -0.25 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 2kta h MET 10 CO -0.01 0.88 0.01 -0.22 1.06 0.00 0.00 176.91 178.64 2kta h LYS 11 N 1.25 0.02 -0.64 1.72 3.11 -1.28 -0.64 116.57 120.12 2kta h LYS 11 Ca 0.32 -0.00 0.05 0.00 -2.81 0.00 0.00 60.65 58.21 2kta h LYS 11 Cb -0.02 -0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.15 2kta h LYS 11 CO -0.06 0.07 0.36 -0.91 -2.81 0.00 0.00 179.45 176.11 2kta h ASN 12 N -0.03 0.54 0.21 4.20 2.35 0.37 0.13 115.58 123.36 2kta h ASN 12 Ca 0.01 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2kta h ASN 12 Cb 0.05 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.35 2kta h ASN 12 CO -0.00 0.35 -0.10 0.22 -1.65 0.00 0.00 177.43 176.25 2kta h TYR 13 N 0.67 -0.27 -0.68 1.19 3.20 -0.45 0.32 116.97 120.95 2kta h TYR 13 Ca 0.28 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.13 2kta h TYR 13 Cb 0.16 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 2kta h TYR 13 CO -0.08 -0.11 0.35 0.93 -1.64 0.00 0.00 178.16 177.61 2kta h GLU 14 N -0.36 0.95 -0.52 1.82 4.39 -0.93 0.20 114.58 120.14 2kta h GLU 14 Ca -0.03 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.49 2kta h GLU 14 Cb 0.27 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 2kta h GLU 14 CO 0.05 0.72 0.08 1.49 -1.16 0.00 0.00 179.01 180.18 2kta h GLU 15 N 0.96 0.86 -0.36 2.33 4.57 -0.62 -1.30 114.58 121.01 2kta h GLU 15 Ca 0.24 -0.23 -0.12 0.00 -1.18 0.00 0.00 59.36 58.07 2kta h GLU 15 Cb 0.06 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 2kta h GLU 15 CO -0.04 0.85 -0.25 1.25 -1.18 0.00 0.00 179.01 179.64 2kta h LEU 16 N 0.74 0.76 -0.24 1.64 5.85 0.38 0.30 115.31 124.75 2kta h LEU 16 Ca 0.16 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.64 2kta h LEU 16 Cb 0.41 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 2kta h LEU 16 CO 0.01 0.98 -0.05 0.11 -0.34 0.00 0.00 178.44 179.15 2kta h LYS 17 N 0.64 0.01 -0.93 1.25 1.57 -0.45 0.41 116.57 119.08 2kta h LYS 17 Ca 0.08 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2kta h LYS 17 Cb 0.76 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.02 2kta h LYS 17 CO 0.06 0.01 0.61 1.03 -0.57 0.00 0.00 179.45 180.59 2kta h SER 18 N 0.01 1.05 -0.52 0.86 0.87 -0.78 0.23 113.55 115.27 2kta h SER 18 Ca 0.11 -0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 2kta h SER 18 Cb 0.17 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 2kta h SER 18 CO -0.24 0.75 0.11 -0.26 -0.53 0.00 0.00 176.83 176.67 2kta h PHE 19 N 1.24 0.94 -0.25 2.24 -1.00 0.39 -2.57 116.94 117.93 2kta h PHE 19 Ca 0.35 -0.10 -0.18 0.00 2.81 0.00 0.00 57.97 60.84 2kta h PHE 19 Cb -0.11 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 39.18 2kta h PHE 19 CO -0.01 0.79 -0.56 0.28 -1.61 0.00 0.00 178.31 177.20 2kta h VAL 20 N 0.86 1.28 0.00 -0.55 2.07 0.58 0.63 116.25 121.12 2kta h VAL 20 Ca 0.18 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 65.95 2kta h VAL 20 Cb 0.35 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2kta h VAL 20 CO 0.00 0.57 0.00 0.08 0.02 0.00 0.00 177.57 178.24 2kta h ARG 21 N 0.57 0.00 0.00 1.57 -0.00 -0.42 0.14 114.38 116.24 2kta h ARG 21 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2kta h ARG 21 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.15 2kta h ARG 21 CO 0.12 0.00 -0.49 1.63 -0.00 0.00 0.00 179.97 181.23 2kta n LYS 22 N -2.61 0.28 0.00 0.08 5.02 -0.98 -4.82 118.16 115.13 2kta n LYS 22 Ca -0.00 0.18 0.05 0.00 -2.02 0.00 0.00 58.31 56.52 2kta n LYS 22 Cb 0.16 -1.07 -0.01 0.00 -0.02 0.00 0.00 35.03 34.09 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 -3.58 0.00 -1.14 2.13 4.01 0.22 -4.96 117.16 113.84 2kta n TYR 23 Ca -0.07 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.62 2kta n TYR 23 Cb 0.25 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.26 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 -0.47 -1.51 -3.68 -0.72 3.00 0.47 -4.85 116.66 108.90 2kta n ARG 24 Ca 0.04 0.60 -0.02 0.00 -0.01 0.00 0.00 57.85 58.46 2kta n ARG 24 Cb 0.21 -4.83 -0.01 0.00 0.00 0.00 0.00 32.46 27.83 2kta n ARG 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2kta s ARG 25 N -2.14 0.83 -0.60 5.56 3.52 -1.25 -0.81 118.95 124.06 2kta s ARG 25 Ca 0.00 -0.45 0.04 0.00 -0.13 0.00 0.00 55.73 55.20 2kta s ARG 25 Cb 0.00 0.29 0.15 0.00 -1.56 0.00 0.00 34.95 33.83 2kta s ARG 25 CO 0.00 -0.38 0.37 -0.59 -0.81 0.00 0.00 175.30 173.89 2kta s PHE 26 N -2.91 3.27 0.19 5.12 -0.71 -1.26 -4.51 117.98 117.17 2kta s PHE 26 Ca 0.12 -3.20 0.03 0.00 -1.04 0.00 0.00 56.93 52.84 2kta s PHE 26 Cb 0.01 -2.69 0.09 0.00 -1.21 0.00 0.00 43.02 39.23 2kta s PHE 26 CO -0.01 -0.65 1.45 -1.00 -1.34 0.00 0.00 175.22 173.67 2kta h PRO 27 N 5.97 0.22 -3.95 1.99 0.13 -1.98 -3.41 132.00 130.97 2kta h PRO 27 Ca 0.04 -0.20 -0.59 0.00 -0.87 0.00 0.00 66.00 64.38 2kta h PRO 27 Cb 0.83 0.05 -0.39 0.00 0.13 0.00 0.00 31.00 31.61 2kta h PRO 27 CO 0.69 0.88 -0.76 0.15 -0.23 0.00 0.00 178.00 178.72 2kta s LYS 28 N -3.43 1.09 -0.68 0.86 1.02 -1.26 -5.08 119.74 112.26 2kta s LYS 28 Ca -0.03 -1.00 -0.26 0.00 0.02 0.00 0.00 55.97 54.69 2kta s LYS 28 Cb 0.11 -2.35 -0.00 0.00 -0.52 0.00 0.00 37.83 35.06 2kta s LYS 28 CO 0.82 -0.78 1.66 -1.12 -0.92 0.00 0.00 175.35 175.00 2kta s SER 29 N 1.51 5.60 0.23 2.83 0.01 -1.26 -4.84 113.70 117.78 2kta s SER 29 Ca 0.02 -0.04 -0.06 0.00 1.31 0.00 0.00 55.95 57.19 2kta s SER 29 Cb -0.18 -2.54 0.22 0.00 0.21 0.00 0.00 66.02 63.73 2kta s SER 29 CO -0.13 -2.19 1.79 0.74 0.41 0.00 0.00 173.24 173.86 2kta h THR 30 N 6.61 1.25 -2.80 1.44 2.02 -1.98 -3.43 112.91 116.03 2kta h THR 30 Ca -0.23 -0.83 -0.56 0.00 0.77 0.00 0.00 66.41 65.56 2kta h THR 30 Cb 1.11 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 2kta h THR 30 CO 1.25 0.33 -0.40 -1.61 0.37 0.00 0.00 175.52 175.46 2kta s GLU 31 N -5.45 3.49 0.59 6.66 2.02 -1.26 -4.97 118.70 119.78 2kta s GLU 31 Ca -0.12 -0.41 0.37 0.00 0.02 0.00 0.00 54.97 54.84 2kta s GLU 31 Cb 0.16 -2.91 1.74 0.00 0.10 0.00 0.00 34.13 33.21 2kta s GLU 31 CO 0.83 0.48 2.12 0.78 0.02 0.00 0.00 175.26 179.49 2kta h GLY 32 N 2.31 0.00 0.82 -1.39 0.00 -1.98 -0.08 103.07 102.75 2kta h GLY 32 Ca -0.47 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 2kta h GLY 32 CO 0.70 0.00 -0.24 3.43 0.00 0.00 0.00 176.54 180.43 2kta h ASN 33 N 0.00 -0.56 0.76 0.19 2.35 -1.95 0.12 115.58 116.49 2kta h ASN 33 Ca -0.00 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.60 2kta h ASN 33 Cb 0.33 0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 2kta h ASN 33 CO 0.00 -0.26 -0.44 -0.07 -1.65 0.00 0.00 177.43 175.01 2kta h LEU 34 N -0.85 0.00 -0.57 1.61 3.38 -1.89 0.16 115.31 117.16 2kta h LEU 34 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2kta h LEU 34 Cb 0.58 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2kta h LEU 34 CO 0.11 0.44 0.31 1.23 0.09 0.00 0.00 178.44 180.62 2kta h GLY 35 N 1.95 0.85 2.00 0.83 0.00 -0.92 -1.24 103.07 106.55 2kta h GLY 35 Ca -0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 47.33 46.80 2kta h GLY 35 CO 0.06 0.37 -0.68 -1.33 0.00 0.00 0.00 176.54 174.96 2kta h GLY 36 N 0.77 0.00 0.59 4.60 0.00 -0.28 -2.25 103.07 106.50 2kta h GLY 36 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.57 2kta h GLY 36 CO -0.03 0.00 -0.07 -0.25 0.00 0.00 0.00 176.54 176.18 2kta h TRP 37 N 0.00 -0.17 -0.68 5.60 7.01 -0.35 0.28 115.95 127.64 2kta h TRP 37 Ca -0.01 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 60.94 2kta h TRP 37 Cb 1.28 0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 28.42 2kta h TRP 37 CO 0.00 -0.12 0.15 0.00 -2.79 0.00 0.00 178.44 175.68 2kta h HIS 39 N 1.02 -0.24 -0.72 0.00 3.86 -1.02 -1.85 115.15 116.19 2kta h HIS 39 Ca 0.21 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.36 2kta h HIS 39 Cb 0.39 0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.90 2kta h HIS 39 CO 0.03 0.17 0.23 1.15 0.86 0.00 0.00 177.93 180.37 2kta h THR 40 N -0.86 1.26 0.00 2.45 2.02 -0.53 -2.38 112.91 114.87 2kta h THR 40 Ca -0.03 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.26 2kta h THR 40 Cb 0.52 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2kta h THR 40 CO 0.04 0.35 -0.23 0.00 0.37 0.00 0.00 175.52 176.05 2kta n GLN 41 N -4.28 0.07 -0.11 6.66 6.02 -0.96 -3.09 117.38 121.70 2kta n GLN 41 Ca 0.06 0.04 -0.01 0.00 -0.01 0.00 0.00 57.00 57.08 2kta n GLN 41 Cb 0.22 -1.56 0.25 0.00 1.02 0.00 0.00 30.24 30.17 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 0.77 0.14 -1.09 9.65 -0.78 -0.28 114.38 122.80 2kta h ARG 42 Ca 0.00 -0.12 -0.01 0.00 -1.10 0.00 0.00 59.98 58.76 2kta h ARG 42 Cb 0.56 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 2kta h ARG 42 CO 0.00 0.64 -0.07 -0.22 2.80 0.00 0.00 179.97 183.12 2kta h LYS 43 N 0.76 -0.18 -0.89 0.20 3.64 -1.57 -3.22 116.57 115.31 2kta h LYS 43 Ca 0.18 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.64 2kta h LYS 43 Cb 0.16 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.97 2kta h LYS 43 CO -0.02 0.26 0.58 0.52 -2.27 0.00 0.00 179.45 178.52 2kta h MET 44 N -0.87 0.99 -0.16 1.90 0.00 -1.54 0.23 114.93 115.47 2kta h MET 44 Ca -0.02 -0.06 -0.06 0.00 0.00 0.00 0.00 59.70 59.56 2kta h MET 44 Cb 0.53 -0.22 -0.01 0.00 0.00 0.00 0.00 31.60 31.90 2kta h MET 44 CO 0.03 0.65 -0.17 0.07 0.00 0.00 0.00 176.91 177.49 2kta h ARG 45 N 1.02 0.27 -0.03 1.72 0.11 -1.16 0.70 114.38 117.00 2kta h ARG 45 Ca 0.38 -0.07 -0.16 0.00 0.10 0.00 0.00 59.98 60.23 2kta h ARG 45 Cb 0.18 -0.03 0.01 0.00 1.11 0.00 0.00 29.97 31.24 2kta h ARG 45 CO -0.14 0.44 -0.60 -0.22 0.10 0.00 0.00 179.97 179.56 2kta h LYS 46 N 0.25 0.46 -0.00 0.08 3.11 -1.25 -3.30 116.57 115.92 2kta h LYS 46 Ca 0.05 -0.45 -0.13 0.00 -2.81 0.00 0.00 60.65 57.30 2kta h LYS 46 Cb 0.46 0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.79 2kta h LYS 46 CO 0.03 1.10 -0.63 1.96 -2.81 0.00 0.00 179.45 179.10 2kta h GLN 47 N -0.01 0.01 -0.03 1.90 4.20 -0.67 -3.47 115.11 117.05 2kta h GLN 47 Ca -0.07 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2kta h GLN 47 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 2kta h GLN 47 CO 0.12 0.64 0.00 0.41 -0.67 0.00 0.00 178.83 179.33 2kta n GLY 48 N 0.28 1.01 0.13 3.46 0.00 0.21 -4.97 105.19 105.31 2kta n GLY 48 Ca -0.01 -0.53 0.09 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.97 1.00 -1.94 1.61 4.76 0.82 -4.96 118.16 118.48 2kta n LYS 49 Ca 0.00 -0.27 -0.41 0.00 -2.87 0.00 0.00 58.31 54.76 2kta n LYS 49 Cb 0.30 -1.39 -0.01 0.00 -1.84 0.00 0.00 35.03 32.10 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 -2.71 4.37 0.38 -0.35 1.43 -1.14 -4.97 118.68 115.68 2kta s LEU 50 Ca 0.10 2.87 -0.25 0.00 -1.03 0.00 0.00 54.13 55.82 2kta s LEU 50 Cb 0.15 -3.65 -0.09 0.00 0.03 0.00 0.00 46.19 42.62 2kta s LEU 50 CO 0.69 -0.74 1.04 -2.16 0.23 0.00 0.00 176.35 175.41 2kta s PRO 51 N -1.66 4.26 0.39 1.29 0.04 -1.26 -4.95 135.00 133.12 2kta s PRO 51 Ca 0.53 1.52 0.12 0.00 0.04 0.00 0.00 61.00 63.21 2kta s PRO 51 Cb -0.44 -2.64 0.79 0.00 0.04 0.00 0.00 34.50 32.25 2kta s PRO 51 CO 0.56 -0.05 1.88 -0.97 0.04 0.00 0.00 177.00 178.45 2kta h ASN 52 N 2.71 0.04 0.09 6.66 -1.24 -2.00 -2.67 115.58 119.18 2kta h ASN 52 Ca -0.48 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 56.52 2kta h ASN 52 Cb 1.21 -0.01 -0.00 0.00 0.73 0.00 0.00 38.32 40.25 2kta h ASN 52 CO 0.63 0.34 -0.05 0.44 -1.29 0.00 0.00 177.43 177.49 2kta h ASP 53 N 0.04 -0.13 -0.88 1.15 5.19 -1.98 0.74 116.42 120.55 2kta h ASP 53 Ca 0.00 0.01 0.07 0.00 -0.62 0.00 0.00 57.03 56.49 2kta h ASP 53 Cb 0.54 0.04 -0.06 0.00 0.18 0.00 0.00 39.33 40.03 2kta h ASP 53 CO 0.04 -0.09 0.57 -0.09 -3.12 0.00 0.00 179.24 176.55 2kta h ARG 54 N -0.14 0.95 -0.03 3.56 1.12 -1.88 0.35 114.38 118.31 2kta h ARG 54 Ca -0.01 -0.06 -0.00 0.00 -1.11 0.00 0.00 59.98 58.80 2kta h ARG 54 Cb 0.11 -0.21 -0.00 0.00 -0.01 0.00 0.00 29.97 29.86 2kta h ARG 54 CO 0.01 0.63 0.01 -0.09 -3.11 0.00 0.00 179.97 177.41 2kta h ARG 55 N 0.98 0.05 -0.70 0.20 2.43 -1.20 -2.92 114.38 113.21 2kta h ARG 55 Ca 0.38 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.46 2kta h ARG 55 Cb 0.23 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 2kta h ARG 55 CO -0.14 0.26 0.14 1.25 -1.51 0.00 0.00 179.97 179.97 2kta h LEU 56 N -0.17 1.08 -1.01 3.80 6.46 0.22 -2.48 115.31 123.20 2kta h LEU 56 Ca 0.01 -0.25 0.11 0.00 -0.12 0.00 0.00 57.88 57.63 2kta h LEU 56 Cb 0.24 -0.29 -0.08 0.00 -0.73 0.00 0.00 40.66 39.80 2kta h LEU 56 CO 0.00 1.05 0.64 -0.07 -0.62 0.00 0.00 178.44 179.44 2kta h LEU 57 N 1.07 0.95 -0.40 2.25 3.38 -0.32 0.48 115.31 122.71 2kta h LEU 57 Ca 0.22 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 2kta h LEU 57 Cb 0.41 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2kta h LEU 57 CO 0.01 0.52 0.21 -0.07 0.09 0.00 0.00 178.44 179.20 2kta h LEU 58 N 1.03 0.51 -1.19 1.67 3.38 -1.25 -1.67 115.31 117.79 2kta h LEU 58 Ca 0.49 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.29 2kta h LEU 58 Cb 0.43 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2kta h LEU 58 CO -0.25 0.47 -0.15 -0.78 0.09 0.00 0.00 178.44 177.82 2kta h ASP 59 N 0.52 0.37 -0.05 -0.43 3.58 -1.10 0.45 116.42 119.75 2kta h ASP 59 Ca 0.14 -0.09 -0.14 0.00 0.42 0.00 0.00 57.03 57.36 2kta h ASP 59 Cb 0.08 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 2kta h ASP 59 CO -0.02 0.54 -0.42 0.50 -2.88 0.00 0.00 179.24 176.96 2kta h LYS 60 N 0.36 0.58 0.00 0.28 3.64 -0.39 -2.92 116.57 118.12 2kta h LYS 60 Ca 0.07 -0.31 -0.17 0.00 -1.27 0.00 0.00 60.65 58.97 2kta h LYS 60 Cb 0.47 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 2kta h LYS 60 CO 0.03 0.90 -1.11 -0.84 -2.27 0.00 0.00 179.45 176.16 2kta h ILE 61 N 0.48 0.81 0.00 2.00 3.07 -1.17 -3.48 117.51 119.21 2kta h ILE 61 Ca 0.04 -2.33 0.00 0.00 1.55 0.00 0.00 64.86 64.12 2kta h ILE 61 Cb 0.93 2.30 0.00 0.00 -0.27 0.00 0.00 36.82 39.78 2kta h ILE 61 CO 0.08 0.46 0.00 0.61 -1.05 0.00 0.00 178.15 178.25 2kta n GLY 62 N 1.35 1.62 3.74 0.16 0.00 -0.17 -4.84 105.19 107.05 2kta n GLY 62 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 3.40 -0.17 1.61 5.36 0.14 -4.80 117.98 121.52 2kta s PHE 63 Ca 0.00 1.41 -0.17 0.00 -0.96 0.00 0.00 56.93 57.21 2kta s PHE 63 Cb 0.00 -3.45 -0.04 0.00 -0.34 0.00 0.00 43.02 39.19 2kta s PHE 63 CO 0.00 -1.27 0.45 0.54 -1.46 0.00 0.00 175.22 173.47 2kta s VAL 64 N -0.09 5.18 -0.30 3.12 0.11 0.01 -4.66 120.40 123.76 2kta s VAL 64 Ca 0.53 0.84 0.02 0.00 -2.93 0.00 0.00 61.98 60.43 2kta s VAL 64 Cb -0.33 -3.78 0.38 0.00 -1.53 0.00 0.00 36.38 31.12 2kta s VAL 64 CO 0.37 0.26 1.65 0.79 -3.33 0.00 0.00 175.10 174.85 2kta n TRP 65 N 4.28 1.90 0.00 1.54 7.02 -1.26 -4.85 117.44 126.06 2kta n TRP 65 Ca -0.07 -1.51 0.00 0.00 -1.02 0.00 0.00 57.50 54.90 2kta n TRP 65 Cb 0.51 -0.76 0.00 0.00 -2.42 0.00 0.00 31.31 28.64 2kta n TRP 65 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2kta n SER 66 N -0.40 0.00 -4.31 -0.99 7.64 -1.26 -4.83 113.62 109.48 2kta n SER 66 Ca 0.37 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 60.07 2kta n SER 66 Cb 1.09 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 64.19 2kta n SER 66 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2kta s LEU 67 N 0.00 2.51 0.00 -3.43 2.34 -1.26 -5.10 118.68 113.74 2kta s LEU 67 Ca 0.00 -0.97 0.00 0.00 0.06 0.00 0.00 54.13 53.22 2kta s LEU 67 Cb 0.00 -0.60 0.00 0.00 -0.56 0.00 0.00 46.19 45.03 2kta s LEU 67 CO 0.00 -0.18 0.00 1.21 -1.06 0.00 0.00 176.35 176.32 2kta n GLU 68 N -0.12 0.00 -1.64 1.48 2.13 -1.26 -5.05 120.64 116.18 2kta n GLU 68 Ca -0.10 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.70 2kta n GLU 68 Cb 0.59 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.31 2kta n GLU 68 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2kta n HIS 69 N -0.70 -1.08 -2.46 4.31 8.25 -1.26 -5.03 115.22 117.26 2kta n HIS 69 Ca 0.00 -0.36 -0.41 0.00 -0.26 0.00 0.00 57.72 56.69 2kta n HIS 69 Cb 0.00 0.15 0.02 0.00 1.12 0.00 0.00 29.99 31.28 2kta n HIS 69 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kta n HIS 70 N -0.10 2.74 -0.08 4.41 8.25 -1.26 -4.74 115.22 124.44 2kta n HIS 70 Ca -0.01 -2.57 -0.09 0.00 -0.26 0.00 0.00 57.72 54.79 2kta n HIS 70 Cb 0.11 -1.30 -0.04 0.00 1.12 0.00 0.00 29.99 29.88 2kta n HIS 70 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kta n HIS 71 N 0.19 0.90 -3.33 4.41 -0.00 -1.26 -4.77 115.22 111.35 2kta n HIS 71 Ca 0.50 0.39 -0.26 0.00 -0.00 0.00 0.00 57.72 58.36 2kta n HIS 71 Cb 0.26 -0.84 -0.08 0.00 -0.00 0.00 0.00 29.99 29.33 2kta n HIS 71 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kta n HIS 72 N -4.57 0.84 0.00 1.57 -0.00 -1.26 -4.95 115.22 106.86 2kta n HIS 72 Ca -0.13 -3.73 0.00 0.00 -0.00 0.00 0.00 57.72 53.86 2kta n HIS 72 Cb 0.37 -0.33 0.00 0.00 -0.00 0.00 0.00 29.99 30.03 2kta n HIS 72 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kta n HIS 73 N 1.53 0.00 -0.37 1.57 -0.00 -1.26 -5.19 115.22 111.50 2kta n HIS 73 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.97 2kta n HIS 73 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.47 2kta n HIS 73 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06