#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 0.00 -3.30 6.12 4.05 -1.26 -4.71 115.26 116.16 2kta n ASN 2 Ca 0.00 0.00 -0.24 0.00 0.45 0.00 0.00 54.58 54.79 2kta n ASN 2 Cb 0.00 0.00 0.04 0.00 1.23 0.00 0.00 39.78 41.05 2kta n ASN 2 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2kta n GLN 3 N 0.00 -5.38 -1.84 1.20 6.02 -1.26 -4.95 117.38 111.16 2kta n GLN 3 Ca 0.00 0.79 -0.38 0.00 -0.01 0.00 0.00 57.00 57.40 2kta n GLN 3 Cb 0.00 -5.67 0.04 0.00 1.02 0.00 0.00 30.24 25.62 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 -2.90 5.33 0.28 1.08 3.84 -1.26 -4.80 114.94 116.51 2kta s ASN 4 Ca 0.42 2.69 0.02 0.00 0.21 0.00 0.00 52.86 56.20 2kta s ASN 4 Cb -0.20 -2.63 0.61 0.00 -0.55 0.00 0.00 41.25 38.49 2kta s ASN 4 CO 0.52 -1.52 1.78 -0.07 -2.79 0.00 0.00 177.10 175.02 2kta h LEU 5 N 1.45 0.72 -2.54 3.21 4.07 -2.02 0.22 115.31 120.42 2kta h LEU 5 Ca -0.51 0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.54 2kta h LEU 5 Cb 1.30 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.99 2kta h LEU 5 CO 0.57 0.30 0.00 0.00 -1.08 0.00 0.00 178.44 178.24 2kta n GLN 6 N -4.77 3.18 -1.36 1.13 6.02 -1.26 -4.08 117.38 116.23 2kta n GLN 6 Ca 0.20 -2.23 0.03 0.00 -0.01 0.00 0.00 57.00 54.98 2kta n GLN 6 Cb 0.47 -1.78 0.01 0.00 1.02 0.00 0.00 30.24 29.96 2kta n GLN 6 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kta n GLY 7 N 0.93 0.92 0.08 1.08 0.00 0.66 -4.82 105.19 104.04 2kta n GLY 7 Ca 0.20 -0.71 0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 0.42 0.27 0.30 1.61 2.13 -0.56 -3.87 120.64 120.94 2kta n GLU 8 Ca 0.03 0.15 -0.17 0.00 0.66 0.00 0.00 57.16 57.83 2kta n GLU 8 Cb 1.07 -1.74 -0.08 0.00 0.27 0.00 0.00 31.44 30.96 2kta n GLU 8 CO 0.00 0.00 0.00 2.35 -0.41 0.00 0.00 177.13 179.07 2kta h TRP 9 N 0.00 -0.89 -0.67 4.31 -0.00 -1.87 0.97 115.95 117.80 2kta h TRP 9 Ca 0.00 -0.01 0.12 0.00 -0.00 0.00 0.00 58.89 59.01 2kta h TRP 9 Cb 0.73 0.32 -0.04 0.00 -0.00 0.00 0.00 29.16 30.17 2kta h TRP 9 CO 0.00 -0.51 0.45 1.98 -0.00 0.00 0.00 178.44 180.36 2kta h MET 10 N -0.82 0.39 0.24 2.65 4.05 -1.96 0.24 114.93 119.71 2kta h MET 10 Ca -0.06 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.32 2kta h MET 10 Cb 0.68 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 2kta h MET 10 CO 0.05 0.26 -0.11 -0.22 0.23 0.00 0.00 176.91 177.12 2kta h LYS 11 N 0.40 -0.31 0.00 0.39 3.11 -1.45 -3.22 116.57 115.50 2kta h LYS 11 Ca 0.32 0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 58.18 2kta h LYS 11 Cb 0.71 0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 32.01 2kta h LYS 11 CO -0.09 0.05 -0.00 -2.95 -2.81 0.00 0.00 179.45 173.64 2kta h ASN 12 N -0.74 0.00 -0.79 4.20 7.08 -0.39 -2.97 115.58 121.98 2kta h ASN 12 Ca -0.03 0.00 0.15 0.00 -3.08 0.00 0.00 56.30 53.34 2kta h ASN 12 Cb 0.49 0.00 -0.10 0.00 -2.08 0.00 0.00 38.32 36.64 2kta h ASN 12 CO 0.05 0.00 0.34 0.22 -2.08 0.00 0.00 177.43 175.97 2kta h TYR 13 N 0.00 0.59 -0.53 4.14 3.20 -0.53 -0.46 116.97 123.37 2kta h TYR 13 Ca -0.00 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 2kta h TYR 13 Cb 0.86 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 2kta h TYR 13 CO 0.00 0.08 0.17 0.93 -1.64 0.00 0.00 178.16 177.71 2kta h GLU 14 N 0.48 0.78 -0.44 1.82 4.39 -1.55 0.34 114.58 120.40 2kta h GLU 14 Ca 0.44 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.97 2kta h GLU 14 Cb 0.67 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 2kta h GLU 14 CO -0.40 0.67 0.12 0.93 -1.16 0.00 0.00 179.01 179.17 2kta h GLU 15 N 0.76 0.69 0.05 2.33 3.07 -1.22 -1.57 114.58 118.69 2kta h GLU 15 Ca 0.18 -0.16 -0.23 0.00 -0.50 0.00 0.00 59.36 58.65 2kta h GLU 15 Cb 0.21 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 2kta h GLU 15 CO -0.01 0.68 -1.07 1.25 -1.40 0.00 0.00 179.01 178.46 2kta h LEU 16 N 0.57 0.22 -0.32 1.33 6.46 -1.04 -0.23 115.31 122.30 2kta h LEU 16 Ca 0.14 -0.23 0.07 0.00 -0.12 0.00 0.00 57.88 57.74 2kta h LEU 16 Cb 0.29 -0.07 -0.08 0.00 -0.73 0.00 0.00 40.66 40.07 2kta h LEU 16 CO -0.00 1.14 -0.19 0.50 -0.62 0.00 0.00 178.44 179.27 2kta h LYS 17 N 0.05 -0.14 0.02 1.25 3.64 -0.21 0.48 116.57 121.65 2kta h LYS 17 Ca -0.07 0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.10 2kta h LYS 17 Cb 1.79 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.64 2kta h LYS 17 CO 0.16 -0.10 -0.96 1.03 -2.27 0.00 0.00 179.45 177.31 2kta h SER 18 N -0.15 0.42 -0.29 4.20 0.87 -1.25 -3.17 113.55 114.18 2kta h SER 18 Ca 0.17 -0.36 -0.04 0.00 -1.23 0.00 0.00 61.79 60.33 2kta h SER 18 Cb 0.40 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 2kta h SER 18 CO -0.41 1.17 0.01 0.15 -0.53 0.00 0.00 176.83 177.22 2kta h PHE 19 N 0.17 0.55 -0.28 2.24 3.04 -0.46 -1.85 116.94 120.35 2kta h PHE 19 Ca -0.07 -0.09 -0.07 0.00 3.98 0.00 0.00 57.97 61.71 2kta h PHE 19 Cb 1.61 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 39.96 2kta h PHE 19 CO 0.05 0.64 -0.14 -0.24 -2.02 0.00 0.00 178.31 176.60 2kta h VAL 20 N 0.31 1.23 0.00 1.41 3.04 -0.15 0.15 116.25 122.23 2kta h VAL 20 Ca 0.08 -1.04 0.00 0.00 -1.01 0.00 0.00 66.70 64.73 2kta h VAL 20 Cb 0.41 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.86 2kta h VAL 20 CO 0.01 0.34 0.00 0.08 -1.01 0.00 0.00 177.57 176.99 2kta h ARG 21 N 0.45 0.00 0.00 4.17 -0.00 -1.51 -0.37 114.38 117.12 2kta h ARG 21 Ca 0.08 0.00 -0.14 0.00 -0.00 0.00 0.00 59.98 59.92 2kta h ARG 21 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.46 2kta h ARG 21 CO 0.03 0.00 -0.92 -0.22 -0.00 0.00 0.00 179.97 178.86 2kta h LYS 22 N 0.00 0.00 0.00 0.08 1.63 -0.34 -3.42 116.57 114.52 2kta h LYS 22 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2kta h LYS 22 Cb 0.80 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.43 2kta h LYS 22 CO 0.00 0.63 -0.26 0.66 -3.45 0.00 0.00 179.45 177.03 2kta n TYR 23 N -4.51 0.00 -2.43 1.91 4.01 -0.09 -5.07 117.16 110.98 2kta n TYR 23 Ca -0.22 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.50 2kta n TYR 23 Cb 0.51 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.52 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 -1.13 -3.12 -0.48 -0.72 3.00 -0.15 -4.91 116.66 109.15 2kta n ARG 24 Ca 0.01 2.53 0.07 0.00 -0.01 0.00 0.00 57.85 60.44 2kta n ARG 24 Cb 0.08 -4.42 -0.02 0.00 0.00 0.00 0.00 32.46 28.10 2kta n ARG 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2kta n ARG 25 N 0.84 -0.98 -3.72 5.56 1.74 -1.25 -4.65 116.66 114.21 2kta n ARG 25 Ca -0.12 0.64 -0.28 0.00 -0.77 0.00 0.00 57.85 57.32 2kta n ARG 25 Cb 0.19 -1.19 -0.12 0.00 -1.02 0.00 0.00 32.46 30.32 2kta n ARG 25 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 2kta s PHE 26 N -0.88 2.59 -0.38 -1.55 -0.71 -1.26 -4.72 117.98 111.08 2kta s PHE 26 Ca 0.00 -2.92 -0.28 0.00 -1.04 0.00 0.00 56.93 52.70 2kta s PHE 26 Cb 0.00 -2.05 -0.03 0.00 -1.21 0.00 0.00 43.02 39.74 2kta s PHE 26 CO 0.00 -0.67 1.93 -2.14 -1.34 0.00 0.00 175.22 173.00 2kta s PRO 27 N -0.75 3.06 -1.99 1.99 0.02 -1.26 -2.76 135.00 133.30 2kta s PRO 27 Ca 0.27 1.36 0.00 0.00 0.02 0.00 0.00 61.00 62.65 2kta s PRO 27 Cb -0.04 -4.29 0.00 0.00 0.02 0.00 0.00 34.50 30.18 2kta s PRO 27 CO -0.16 -2.19 0.00 1.63 -0.33 0.00 0.00 177.00 175.95 2kta n LYS 28 N 8.67 -1.58 -3.20 5.54 5.02 -1.26 -4.95 118.16 126.40 2kta n LYS 28 Ca 0.25 1.12 -0.39 0.00 -2.02 0.00 0.00 58.31 57.27 2kta n LYS 28 Cb 0.48 -5.66 -0.06 0.00 -0.02 0.00 0.00 35.03 29.78 2kta n LYS 28 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2kta s SER 29 N -2.38 6.94 0.07 4.39 0.01 -1.11 -4.98 113.70 116.64 2kta s SER 29 Ca 0.00 1.12 -0.16 0.00 1.31 0.00 0.00 55.95 58.22 2kta s SER 29 Cb 0.00 -2.36 -0.15 0.00 0.21 0.00 0.00 66.02 63.72 2kta s SER 29 CO 0.00 0.06 1.30 0.71 0.41 0.00 0.00 173.24 175.72 2kta h THR 30 N 4.29 1.33 -0.68 1.44 1.35 -1.92 -3.46 112.91 115.25 2kta h THR 30 Ca -0.44 -1.73 0.00 0.00 -0.55 0.00 0.00 66.41 63.69 2kta h THR 30 Cb 1.20 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 2kta h THR 30 CO 0.71 0.53 0.00 1.21 -0.25 0.00 0.00 175.52 177.72 2kta n GLU 31 N -4.19 0.00 0.00 4.72 0.00 -1.26 -3.85 120.64 116.06 2kta n GLU 31 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.09 2kta n GLU 31 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.02 2kta n GLU 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kta n GLY 32 N 0.00 0.40 0.25 8.31 0.00 -1.26 -4.69 105.19 108.20 2kta n GLY 32 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2kta n GLY 32 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2kta h ASN 33 N 0.00 0.87 0.90 1.61 7.08 -2.00 -2.61 115.58 121.43 2kta h ASN 33 Ca 0.00 -0.42 -0.13 0.00 -3.08 0.00 0.00 56.30 52.67 2kta h ASN 33 Cb 0.00 -0.25 -0.02 0.00 -2.08 0.00 0.00 38.32 35.97 2kta h ASN 33 CO 0.00 1.19 -0.64 -0.07 -2.08 0.00 0.00 177.43 175.83 2kta h LEU 34 N 0.65 0.00 -0.41 6.14 4.07 -1.92 -1.34 115.31 122.49 2kta h LEU 34 Ca 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.00 2kta h LEU 34 Cb 1.02 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.74 2kta h LEU 34 CO 0.10 0.64 0.24 1.23 -1.08 0.00 0.00 178.44 179.57 2kta h GLY 35 N 2.44 0.61 2.00 0.83 0.00 -1.62 0.81 103.07 108.14 2kta h GLY 35 Ca -0.01 -0.26 -0.16 0.00 0.00 0.00 0.00 47.33 46.91 2kta h GLY 35 CO 0.08 0.25 -0.75 -1.33 0.00 0.00 0.00 176.54 174.80 2kta h GLY 36 N 0.54 0.00 0.83 4.60 0.00 -1.48 -2.88 103.07 104.68 2kta h GLY 36 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 2kta h GLY 36 CO -0.03 0.00 -0.30 -0.25 0.00 0.00 0.00 176.54 175.97 2kta h TRP 37 N 0.00 -0.79 -0.28 5.60 7.01 -0.69 -0.60 115.95 126.20 2kta h TRP 37 Ca -0.01 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 2kta h TRP 37 Cb 1.38 0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 28.71 2kta h TRP 37 CO 0.00 -0.45 0.14 0.00 -2.79 0.00 0.00 178.44 175.33 2kta h HIS 39 N 0.32 0.42 -0.17 0.00 3.86 -1.42 -0.58 115.15 117.58 2kta h HIS 39 Ca 0.10 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.18 2kta h HIS 39 Cb 0.11 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 2kta h HIS 39 CO -0.02 0.21 -0.51 0.00 0.86 0.00 0.00 177.93 178.47 2kta h THR 40 N 0.45 1.33 0.00 2.45 1.03 -1.01 -3.24 112.91 113.92 2kta h THR 40 Ca 0.20 -1.74 -0.04 0.00 -0.01 0.00 0.00 66.41 64.83 2kta h THR 40 Cb 0.12 1.75 -0.01 0.00 -1.07 0.00 0.00 68.15 68.94 2kta h THR 40 CO -0.15 0.54 -0.75 1.56 -0.01 0.00 0.00 175.52 176.70 2kta h GLN 41 N 0.37 0.00 0.00 0.00 4.20 -1.05 -3.09 115.11 115.54 2kta h GLN 41 Ca 0.01 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 2kta h GLN 41 Cb 1.02 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.79 2kta h GLN 41 CO 0.09 0.09 -0.13 0.07 -0.67 0.00 0.00 178.83 178.29 2kta h ARG 42 N 0.00 0.00 -0.01 1.46 -0.00 -1.14 -2.04 114.38 112.65 2kta h ARG 42 Ca -0.03 0.00 -0.14 0.00 -0.00 0.00 0.00 59.98 59.81 2kta h ARG 42 Cb 1.13 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.08 2kta h ARG 42 CO 0.01 0.13 -0.68 -0.22 -0.00 0.00 0.00 179.97 179.21 2kta h LYS 43 N 0.00 0.03 -0.20 0.08 3.11 -1.61 -2.05 116.57 115.93 2kta h LYS 43 Ca -0.00 -0.03 -0.10 0.00 -2.81 0.00 0.00 60.65 57.72 2kta h LYS 43 Cb 0.56 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.78 2kta h LYS 43 CO 0.02 0.70 -0.29 0.52 -2.81 0.00 0.00 179.45 177.58 2kta h MET 44 N 0.02 0.40 -0.17 1.90 0.00 -1.43 -1.88 114.93 113.77 2kta h MET 44 Ca -0.01 -0.16 -0.21 0.00 0.00 0.00 0.00 59.70 59.33 2kta h MET 44 Cb 1.20 -0.02 0.01 0.00 0.00 0.00 0.00 31.60 32.79 2kta h MET 44 CO 0.09 0.66 -0.72 -0.09 0.00 0.00 0.00 176.91 176.84 2kta h ARG 45 N 0.35 0.75 -0.60 1.72 9.65 -1.24 0.26 114.38 125.26 2kta h ARG 45 Ca 0.05 -0.58 0.05 0.00 -1.10 0.00 0.00 59.98 58.40 2kta h ARG 45 Cb 0.70 0.11 -0.05 0.00 -1.39 0.00 0.00 29.97 29.34 2kta h ARG 45 CO 0.05 1.19 0.32 -0.22 2.80 0.00 0.00 179.97 184.12 2kta h LYS 46 N 0.52 0.59 0.00 0.20 3.64 -1.28 -0.25 116.57 119.99 2kta h LYS 46 Ca -0.04 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 2kta h LYS 46 Cb 1.34 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2kta h LYS 46 CO 0.15 0.39 -0.23 1.96 -2.27 0.00 0.00 179.45 179.45 2kta h GLN 47 N 0.61 0.00 0.00 1.90 4.20 -1.11 -3.47 115.11 117.24 2kta h GLN 47 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 2kta h GLN 47 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2kta h GLN 47 CO -0.17 0.23 0.00 0.41 -0.67 0.00 0.00 178.83 178.63 2kta n GLY 48 N -0.83 0.45 0.33 3.46 0.00 0.67 -4.95 105.19 104.32 2kta n GLY 48 Ca -0.02 -0.87 0.04 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.26 0.25 -1.76 1.61 2.85 0.30 -5.00 118.16 115.16 2kta n LYS 49 Ca 0.00 -1.03 -0.41 0.00 -1.05 0.00 0.00 58.31 55.82 2kta n LYS 49 Cb 0.41 -1.16 -0.00 0.00 -0.65 0.00 0.00 35.03 33.63 2kta n LYS 49 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2kta n LEU 50 N 0.45 4.49 -4.87 -5.58 4.77 -1.14 -4.98 117.00 110.14 2kta n LEU 50 Ca 0.05 1.22 -0.30 0.00 -0.03 0.00 0.00 56.01 56.95 2kta n LEU 50 Cb 0.21 -1.59 -0.00 0.00 -2.33 0.00 0.00 43.42 39.71 2kta n LEU 50 CO 0.05 0.01 0.62 -2.84 -1.33 0.00 0.00 177.39 173.91 2kta s PRO 51 N -2.03 3.66 0.27 3.23 0.02 -1.26 -4.99 135.00 133.90 2kta s PRO 51 Ca 0.54 0.63 0.07 0.00 0.02 0.00 0.00 61.00 62.26 2kta s PRO 51 Cb -0.50 -2.18 0.35 0.00 0.02 0.00 0.00 34.50 32.19 2kta s PRO 51 CO 0.63 -0.39 1.62 -0.97 -0.33 0.00 0.00 177.00 177.57 2kta h ASN 52 N 0.15 0.18 -0.40 2.53 -1.24 -1.99 -3.31 115.58 111.49 2kta h ASN 52 Ca -0.45 -0.09 0.08 0.00 0.71 0.00 0.00 56.30 56.55 2kta h ASN 52 Cb 1.19 -0.05 -0.08 0.00 0.73 0.00 0.00 38.32 40.11 2kta h ASN 52 CO 0.62 0.69 -0.17 0.44 -1.29 0.00 0.00 177.43 177.72 2kta h ASP 53 N 0.13 -0.59 0.05 1.15 5.19 -1.98 0.57 116.42 120.94 2kta h ASP 53 Ca -0.00 0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 56.55 2kta h ASP 53 Cb 1.01 0.33 0.00 0.00 0.18 0.00 0.00 39.33 40.85 2kta h ASP 53 CO 0.08 -0.20 -0.02 -0.09 -3.12 0.00 0.00 179.24 175.88 2kta h ARG 54 N -0.09 -0.07 0.00 3.56 2.43 -1.99 0.11 114.38 118.33 2kta h ARG 54 Ca 0.20 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.34 2kta h ARG 54 Cb 0.39 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 2kta h ARG 54 CO -0.46 -0.00 -0.17 -0.09 -1.51 0.00 0.00 179.97 177.74 2kta h ARG 55 N -0.11 0.00 0.03 0.20 1.12 -1.46 -1.19 114.38 112.97 2kta h ARG 55 Ca -0.01 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.86 2kta h ARG 55 Cb 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.06 2kta h ARG 55 CO 0.01 0.17 -0.01 1.25 -3.11 0.00 0.00 179.97 178.28 2kta h LEU 56 N 0.00 -0.03 -0.70 3.80 5.85 0.61 -2.59 115.31 122.26 2kta h LEU 56 Ca -0.00 -0.71 0.02 0.00 0.84 0.00 0.00 57.88 58.04 2kta h LEU 56 Cb 0.37 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 2kta h LEU 56 CO 0.02 0.76 0.44 -0.07 -0.34 0.00 0.00 178.44 179.26 2kta h LEU 57 N -0.89 0.74 -0.80 2.25 4.07 -0.62 -1.64 115.31 118.42 2kta h LEU 57 Ca -0.00 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.92 2kta h LEU 57 Cb 0.73 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 42.27 2kta h LEU 57 CO 0.01 0.52 0.39 -0.07 -1.08 0.00 0.00 178.44 178.21 2kta h LEU 58 N 0.88 1.04 -0.90 1.67 3.38 -1.34 -2.18 115.31 117.86 2kta h LEU 58 Ca 0.27 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.17 2kta h LEU 58 Cb -0.01 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.41 2kta h LEU 58 CO -0.09 0.87 0.57 -0.78 0.09 0.00 0.00 178.44 179.10 2kta h ASP 59 N 1.13 0.92 0.96 -0.43 1.82 -0.91 0.35 116.42 120.26 2kta h ASP 59 Ca 0.28 0.01 -0.16 0.00 -0.39 0.00 0.00 57.03 56.76 2kta h ASP 59 Cb 0.10 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 39.90 2kta h ASP 59 CO -0.04 0.61 -0.77 0.11 -1.61 0.00 0.00 179.24 177.54 2kta h LYS 60 N 1.07 0.00 0.00 0.28 6.56 -0.89 -2.89 116.57 120.70 2kta h LYS 60 Ca 0.38 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.97 2kta h LYS 60 Cb 0.12 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.78 2kta h LYS 60 CO -0.16 0.77 -0.20 0.44 -2.06 0.00 0.00 179.45 178.24 2kta n ILE 61 N -3.47 0.46 0.00 1.86 -5.35 -0.86 -4.92 119.36 107.09 2kta n ILE 61 Ca -0.00 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 2kta n ILE 61 Cb 0.79 -0.41 0.00 0.00 -1.74 0.00 0.00 39.64 38.27 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 1.34 1.75 3.48 3.28 0.00 -0.73 -4.66 105.19 109.64 2kta n GLY 62 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 2.81 -0.20 1.61 2.19 0.11 -4.83 117.98 117.67 2kta s PHE 63 Ca 0.00 -0.30 -0.11 0.00 0.33 0.00 0.00 56.93 56.85 2kta s PHE 63 Cb 0.00 -4.04 -0.05 0.00 -1.31 0.00 0.00 43.02 37.62 2kta s PHE 63 CO 0.00 -1.38 0.18 0.54 1.83 0.00 0.00 175.22 176.38 2kta s VAL 64 N 3.70 5.37 0.34 3.12 0.11 -1.26 -4.17 120.40 127.61 2kta s VAL 64 Ca 0.24 0.28 0.13 0.00 -2.93 0.00 0.00 61.98 59.71 2kta s VAL 64 Cb -0.15 -3.52 0.08 0.00 -1.53 0.00 0.00 36.38 31.26 2kta s VAL 64 CO 0.15 0.41 1.79 -0.50 -3.33 0.00 0.00 175.10 173.62 2kta h TRP 65 N 6.81 0.00 -2.28 1.54 4.06 -1.99 -3.49 115.95 120.60 2kta h TRP 65 Ca -0.40 0.00 0.24 0.00 2.06 0.00 0.00 58.89 60.78 2kta h TRP 65 Cb 1.16 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.26 2kta h TRP 65 CO 0.60 0.40 -0.31 0.43 -3.56 0.00 0.00 178.44 176.00 2kta n SER 66 N -3.98 -6.20 -0.68 -3.49 7.64 -1.26 -4.08 113.62 101.57 2kta n SER 66 Ca -0.02 0.93 0.03 0.00 1.01 0.00 0.00 58.87 60.83 2kta n SER 66 Cb 0.44 -2.62 0.11 0.00 -1.01 0.00 0.00 64.21 61.13 2kta n SER 66 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kta n LEU 67 N 0.00 1.86 -0.01 -3.43 -0.00 -1.26 -3.94 117.00 110.22 2kta n LEU 67 Ca 0.01 -0.94 0.12 0.00 -0.00 0.00 0.00 56.01 55.20 2kta n LEU 67 Cb 0.40 -0.35 0.70 0.00 -0.00 0.00 0.00 43.42 44.16 2kta n LEU 67 CO 0.01 0.34 0.95 -0.62 -0.00 0.00 0.00 177.39 178.06 2kta n GLU 68 N 0.19 1.01 0.02 1.47 1.02 -1.26 -4.03 120.64 119.06 2kta n GLU 68 Ca 0.08 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2kta n GLU 68 Cb 0.37 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 2kta n GLU 68 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2kta n HIS 69 N -0.85 -0.26 -3.23 -0.32 -0.00 -1.25 -5.01 115.22 104.30 2kta n HIS 69 Ca 0.18 0.05 -0.44 0.00 0.46 0.00 0.00 57.72 57.96 2kta n HIS 69 Cb 0.09 0.43 -0.07 0.00 -0.12 0.00 0.00 29.99 30.32 2kta n HIS 69 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kta s HIS 70 N -2.00 3.11 0.76 1.57 5.65 -1.26 -5.06 115.29 118.06 2kta s HIS 70 Ca 0.00 -0.63 -0.10 0.00 0.25 0.00 0.00 55.06 54.58 2kta s HIS 70 Cb 0.00 -3.41 0.06 0.00 -1.18 0.00 0.00 32.58 28.05 2kta s HIS 70 CO 0.00 -0.95 1.11 -1.01 -0.65 0.00 0.00 174.74 173.23 2kta s HIS 71 N 2.34 3.00 -0.00 3.88 0.09 -1.26 -4.21 115.29 119.13 2kta s HIS 71 Ca 0.12 0.69 -0.17 0.00 -0.00 0.00 0.00 55.06 55.69 2kta s HIS 71 Cb -0.20 -3.32 -0.06 0.00 -0.00 0.00 0.00 32.58 29.00 2kta s HIS 71 CO 0.11 -1.56 0.49 -1.58 -0.00 0.00 0.00 174.74 172.20 2kta s HIS 72 N -3.43 3.70 0.38 1.40 2.46 -1.26 -4.97 115.29 113.57 2kta s HIS 72 Ca 0.61 1.07 0.07 0.00 0.47 0.00 0.00 55.06 57.27 2kta s HIS 72 Cb -0.11 -2.44 0.78 0.00 -0.13 0.00 0.00 32.58 30.69 2kta s HIS 72 CO 0.48 0.50 1.98 1.25 -2.47 0.00 0.00 174.74 176.48 2kta h HIS 73 N 5.18 0.69 -0.00 3.88 2.76 -2.05 -3.55 115.15 122.05 2kta h HIS 73 Ca -0.48 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.71 2kta h HIS 73 Cb 1.21 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.94 2kta h HIS 73 CO 0.68 0.38 0.00 0.72 -1.30 0.00 0.00 177.93 178.41