#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 3.25 -0.07 3.17 0.01 -1.26 -4.97 114.94 115.07 2kta s ASN 2 Ca 0.00 -0.89 0.10 0.00 -0.71 0.00 0.00 52.86 51.36 2kta s ASN 2 Cb 0.00 -0.98 0.23 0.00 0.41 0.00 0.00 41.25 40.91 2kta s ASN 2 CO 0.00 -0.22 1.16 0.00 -1.51 0.00 0.00 177.10 176.53 2kta n GLN 3 N 4.82 2.46 0.01 -0.60 6.02 -1.26 -4.31 117.38 124.51 2kta n GLN 3 Ca -0.12 -2.14 0.11 0.00 -0.01 0.00 0.00 57.00 54.85 2kta n GLN 3 Cb 0.46 -1.33 -0.14 0.00 1.02 0.00 0.00 30.24 30.25 2kta n GLN 3 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2kta n ASN 4 N -0.59 0.16 -3.85 1.08 3.02 -1.26 -4.85 115.26 108.96 2kta n ASN 4 Ca 0.10 0.04 -0.22 0.00 -0.03 0.00 0.00 54.58 54.47 2kta n ASN 4 Cb 0.50 1.72 -0.17 0.00 -0.61 0.00 0.00 39.78 41.22 2kta n ASN 4 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2kta s LEU 5 N -4.64 1.02 -0.08 3.41 1.43 -1.26 -5.05 118.68 113.50 2kta s LEU 5 Ca -0.06 -0.14 -0.27 0.00 -1.03 0.00 0.00 54.13 52.62 2kta s LEU 5 Cb 0.13 -0.52 -0.23 0.00 0.03 0.00 0.00 46.19 45.61 2kta s LEU 5 CO 0.89 -0.12 1.04 -0.61 0.23 0.00 0.00 176.35 177.78 2kta h GLN 6 N 7.79 -0.00 -1.10 1.70 -0.00 -1.89 -3.30 115.11 118.31 2kta h GLN 6 Ca -0.29 0.00 -0.60 0.00 -0.00 0.00 0.00 58.65 57.76 2kta h GLN 6 Cb 1.14 0.00 -0.26 0.00 0.00 0.00 0.00 27.48 28.36 2kta h GLN 6 CO 0.37 0.72 0.77 0.41 0.00 0.00 0.00 178.83 181.11 2kta n GLY 7 N 0.86 5.44 0.30 2.39 0.00 -1.26 -4.51 105.19 108.41 2kta n GLY 7 Ca -0.09 -2.00 -0.08 0.00 0.00 0.00 0.00 46.02 43.84 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 1.84 0.99 0.01 1.61 4.22 -1.92 -2.88 114.58 118.46 2kta h GLU 8 Ca 0.55 -0.33 0.03 0.00 0.08 0.00 0.00 59.36 59.69 2kta h GLU 8 Cb 0.93 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.05 2kta h GLU 8 CO 1.40 1.01 -0.40 2.35 -2.18 0.00 0.00 179.01 181.18 2kta h TRP 9 N 0.90 -1.14 -0.59 0.92 -0.00 -1.89 0.22 115.95 114.37 2kta h TRP 9 Ca 0.15 0.04 0.05 0.00 -0.00 0.00 0.00 58.89 59.13 2kta h TRP 9 Cb 0.59 0.50 -0.03 0.00 -0.00 0.00 0.00 29.16 30.22 2kta h TRP 9 CO 0.04 -0.49 0.39 1.98 -0.00 0.00 0.00 178.44 180.37 2kta h MET 10 N -0.57 0.61 0.30 2.65 4.05 -1.92 0.11 114.93 120.16 2kta h MET 10 Ca 0.05 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2kta h MET 10 Cb 0.64 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.31 2kta h MET 10 CO -0.30 0.40 -0.14 -0.22 0.23 0.00 0.00 176.91 176.88 2kta h LYS 11 N 0.63 -0.38 -0.17 0.39 3.11 -0.95 -2.31 116.57 116.89 2kta h LYS 11 Ca 0.25 0.03 -0.07 0.00 -2.81 0.00 0.00 60.65 58.04 2kta h LYS 11 Cb 0.19 0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.50 2kta h LYS 11 CO -0.07 -0.04 -0.22 -2.95 -2.81 0.00 0.00 179.45 173.36 2kta h ASN 12 N -0.87 0.29 -0.33 4.20 7.08 -0.44 -2.89 115.58 122.62 2kta h ASN 12 Ca -0.04 -0.08 -0.02 0.00 -3.08 0.00 0.00 56.30 53.08 2kta h ASN 12 Cb 0.52 -0.08 -0.01 0.00 -2.08 0.00 0.00 38.32 36.67 2kta h ASN 12 CO 0.07 0.52 0.11 0.22 -2.08 0.00 0.00 177.43 176.27 2kta h TYR 13 N 0.27 0.52 -0.57 4.14 3.20 -0.80 0.42 116.97 124.16 2kta h TYR 13 Ca 0.05 -0.05 0.03 0.00 3.14 0.00 0.00 58.73 61.90 2kta h TYR 13 Cb 0.54 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 2kta h TYR 13 CO 0.01 0.51 0.37 0.93 -1.64 0.00 0.00 178.16 178.34 2kta h GLU 14 N 0.38 0.64 -0.03 1.82 4.39 -1.24 0.27 114.58 120.81 2kta h GLU 14 Ca 0.11 -0.04 -0.26 0.00 0.34 0.00 0.00 59.36 59.51 2kta h GLU 14 Cb 0.22 -0.15 0.02 0.00 -0.10 0.00 0.00 28.75 28.75 2kta h GLU 14 CO -0.01 0.43 -1.00 0.93 -1.16 0.00 0.00 179.01 178.20 2kta h GLU 15 N 0.66 0.73 -0.71 2.33 4.39 -1.24 -3.28 114.58 117.46 2kta h GLU 15 Ca 0.23 -0.74 -0.07 0.00 0.34 0.00 0.00 59.36 59.12 2kta h GLU 15 Cb 0.08 0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 2kta h GLU 15 CO -0.06 1.32 0.18 1.25 -1.16 0.00 0.00 179.01 180.54 2kta h LEU 16 N 0.42 1.07 0.01 1.33 5.85 0.87 -0.95 115.31 123.91 2kta h LEU 16 Ca -0.12 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.40 2kta h LEU 16 Cb 1.65 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 42.34 2kta h LEU 16 CO 0.20 1.02 -0.44 0.11 -0.34 0.00 0.00 178.44 178.99 2kta h LYS 17 N 1.06 -0.58 -0.57 1.25 1.57 -0.59 0.36 116.57 119.07 2kta h LYS 17 Ca 0.22 0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 59.00 2kta h LYS 17 Cb 0.36 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 2kta h LYS 17 CO 0.00 -0.38 0.19 0.77 -0.57 0.00 0.00 179.45 179.46 2kta h SER 18 N -0.60 0.78 -0.18 0.86 0.02 -1.59 0.19 113.55 113.03 2kta h SER 18 Ca 0.04 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 2kta h SER 18 Cb 0.67 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2kta h SER 18 CO -0.32 0.73 0.01 0.15 -1.14 0.00 0.00 176.83 176.27 2kta h PHE 19 N 0.83 0.34 -0.23 3.45 3.57 -0.47 0.48 116.94 124.92 2kta h PHE 19 Ca 0.19 -0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.54 2kta h PHE 19 Cb 0.22 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 2kta h PHE 19 CO 0.01 0.50 -0.29 0.28 -2.23 0.00 0.00 178.31 176.58 2kta h VAL 20 N 0.09 1.27 -0.38 1.41 2.07 -0.12 -0.72 116.25 119.86 2kta h VAL 20 Ca 0.05 -1.33 -0.16 0.00 0.82 0.00 0.00 66.70 66.08 2kta h VAL 20 Cb 0.35 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2kta h VAL 20 CO 0.01 0.42 -0.39 -0.09 0.02 0.00 0.00 177.57 177.54 2kta h ARG 21 N 0.39 0.93 0.07 1.57 1.12 -0.80 0.15 114.38 117.81 2kta h ARG 21 Ca 0.05 -0.49 -0.00 0.00 -1.11 0.00 0.00 59.98 58.43 2kta h ARG 21 Cb 0.71 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.69 2kta h ARG 21 CO 0.05 1.15 -0.03 -0.22 -3.11 0.00 0.00 179.97 177.81 2kta h LYS 22 N 0.76 -0.09 0.00 0.20 3.11 -0.66 -3.36 116.57 116.53 2kta h LYS 22 Ca 0.06 0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.88 2kta h LYS 22 Cb 0.98 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.23 2kta h LYS 22 CO 0.10 0.48 -1.67 0.66 -2.81 0.00 0.00 179.45 176.21 2kta n TYR 23 N -4.81 0.36 -2.48 1.91 4.01 -0.30 -5.04 117.16 110.81 2kta n TYR 23 Ca -0.08 0.11 -0.01 0.00 -0.16 0.00 0.00 57.90 57.75 2kta n TYR 23 Cb 0.30 -0.70 -0.01 0.00 -0.31 0.00 0.00 39.34 38.62 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 -2.45 -3.21 -1.39 -0.72 5.12 0.51 -4.94 116.66 109.57 2kta n ARG 24 Ca -0.05 2.59 0.18 0.00 -1.93 0.00 0.00 57.85 58.64 2kta n ARG 24 Cb 0.61 -4.58 -0.07 0.00 -1.16 0.00 0.00 32.46 27.26 2kta n ARG 24 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 2kta n ARG 25 N 0.84 -3.03 -3.42 5.56 1.85 -1.23 -4.90 116.66 112.34 2kta n ARG 25 Ca -0.11 2.27 -0.27 0.00 -1.00 0.00 0.00 57.85 58.74 2kta n ARG 25 Cb 0.17 -3.61 -0.11 0.00 -1.05 0.00 0.00 32.46 27.86 2kta n ARG 25 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 2kta s PHE 26 N -3.24 0.70 0.13 2.89 -0.71 -1.26 -4.87 117.98 111.62 2kta s PHE 26 Ca 0.00 -1.76 -0.11 0.00 -1.04 0.00 0.00 56.93 54.03 2kta s PHE 26 Cb 0.00 -0.84 -0.06 0.00 -1.21 0.00 0.00 43.02 40.91 2kta s PHE 26 CO 0.00 -0.85 1.42 -1.35 -1.34 0.00 0.00 175.22 173.10 2kta h PRO 27 N 6.54 0.85 -0.09 1.99 0.11 -1.99 -3.32 132.00 136.08 2kta h PRO 27 Ca 0.13 -0.54 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2kta h PRO 27 Cb 0.96 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2kta h PRO 27 CO 0.29 1.17 0.00 1.63 -0.21 0.00 0.00 178.00 180.87 2kta n LYS 28 N -4.00 1.50 -2.98 1.05 5.02 -1.26 -4.97 118.16 112.52 2kta n LYS 28 Ca -0.04 -1.33 -0.42 0.00 -2.02 0.00 0.00 58.31 54.50 2kta n LYS 28 Cb 0.62 -1.11 -0.05 0.00 -0.02 0.00 0.00 35.03 34.47 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 -0.74 6.55 -0.17 4.39 0.01 -1.25 -4.88 113.70 117.61 2kta s SER 29 Ca 0.09 0.37 0.16 0.00 1.31 0.00 0.00 55.95 57.88 2kta s SER 29 Cb 0.05 -2.39 0.36 0.00 0.21 0.00 0.00 66.02 64.25 2kta s SER 29 CO 0.07 -0.69 1.20 1.07 0.41 0.00 0.00 173.24 175.30 2kta n THR 30 N 5.72 2.05 -2.40 1.44 5.66 -1.26 -4.29 114.28 121.19 2kta n THR 30 Ca 0.02 -2.57 -0.41 0.00 -3.05 0.00 0.00 64.05 58.05 2kta n THR 30 Cb 0.48 -0.24 -0.04 0.00 -1.55 0.00 0.00 70.33 68.98 2kta n THR 30 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2kta s GLU 31 N -3.00 4.57 3.29 1.09 2.02 -1.26 -4.05 118.70 121.35 2kta s GLU 31 Ca 0.35 1.89 0.00 0.00 0.02 0.00 0.00 54.97 57.23 2kta s GLU 31 Cb 0.32 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 31.37 2kta s GLU 31 CO 0.00 0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.78 2kta n GLY 32 N 1.33 0.99 0.19 -1.39 0.00 -1.26 -1.66 105.19 103.38 2kta n GLY 32 Ca 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 46.02 45.41 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 5.97 0.00 -0.82 1.61 -1.07 -2.01 -3.07 115.58 116.20 2kta h ASN 33 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.36 2kta h ASN 33 Cb 0.00 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.21 2kta h ASN 33 CO 0.00 0.38 0.46 -0.07 0.07 0.00 0.00 177.43 178.27 2kta h LEU 34 N 0.00 1.02 -0.73 6.14 3.38 -1.88 0.42 115.31 123.65 2kta h LEU 34 Ca -0.00 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.91 2kta h LEU 34 Cb 0.79 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 2kta h LEU 34 CO 0.05 0.81 0.46 1.23 0.09 0.00 0.00 178.44 181.08 2kta h GLY 35 N 1.17 1.05 1.78 0.83 0.00 -1.21 -1.49 103.07 105.21 2kta h GLY 35 Ca 0.29 -0.35 -0.15 0.00 0.00 0.00 0.00 47.33 47.12 2kta h GLY 35 CO -0.05 0.30 -0.85 -1.33 0.00 0.00 0.00 176.54 174.61 2kta h GLY 36 N 0.90 0.00 0.67 4.60 0.00 -1.57 -3.26 103.07 104.42 2kta h GLY 36 Ca 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 2kta h GLY 36 CO -0.11 0.00 -0.34 -0.25 0.00 0.00 0.00 176.54 175.84 2kta h TRP 37 N 0.00 -0.92 -0.48 5.60 7.01 0.56 0.22 115.95 127.94 2kta h TRP 37 Ca -0.05 0.00 -0.07 0.00 2.11 0.00 0.00 58.89 60.89 2kta h TRP 37 Cb 1.55 0.35 -0.02 0.00 -2.10 0.00 0.00 29.16 28.94 2kta h TRP 37 CO 0.00 -0.49 0.01 0.00 -2.79 0.00 0.00 178.44 175.17 2kta h HIS 39 N 0.75 1.04 -0.63 0.00 3.86 -1.54 -2.97 115.15 115.65 2kta h HIS 39 Ca 0.15 -0.47 -0.05 0.00 -1.16 0.00 0.00 60.37 58.84 2kta h HIS 39 Cb 0.44 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 2kta h HIS 39 CO 0.02 1.29 0.19 1.15 0.86 0.00 0.00 177.93 181.45 2kta h THR 40 N 0.48 1.24 0.00 2.45 2.02 -0.48 -2.24 112.91 116.39 2kta h THR 40 Ca -0.06 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.29 2kta h THR 40 Cb 1.40 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 2kta h THR 40 CO 0.16 0.32 0.00 0.00 0.37 0.00 0.00 175.52 176.37 2kta n GLN 41 N -4.27 0.03 -0.26 6.66 6.02 -1.02 -2.26 117.38 122.28 2kta n GLN 41 Ca 0.05 0.08 -0.04 0.00 -0.01 0.00 0.00 57.00 57.09 2kta n GLN 41 Cb 0.22 -1.50 0.13 0.00 1.02 0.00 0.00 30.24 30.10 2kta n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kta h ARG 42 N 0.00 1.11 -0.17 -1.09 -0.00 -1.23 0.26 114.38 113.27 2kta h ARG 42 Ca 0.00 -0.16 -0.19 0.00 -0.50 0.00 0.00 59.98 59.13 2kta h ARG 42 Cb 0.40 -0.20 -0.00 0.00 0.00 0.00 0.00 29.97 30.17 2kta h ARG 42 CO 0.00 0.86 -0.65 0.87 0.00 0.00 0.00 179.97 181.05 2kta h LYS 43 N 1.10 0.62 -0.14 0.04 6.56 -1.56 -1.02 116.57 122.17 2kta h LYS 43 Ca 0.26 -0.45 -0.15 0.00 -1.06 0.00 0.00 60.65 59.25 2kta h LYS 43 Cb 0.13 0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.86 2kta h LYS 43 CO -0.03 1.07 -0.56 0.52 -2.06 0.00 0.00 179.45 178.39 2kta h MET 44 N 0.45 0.43 -0.36 3.15 2.86 -1.46 0.15 114.93 120.14 2kta h MET 44 Ca -0.02 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.32 2kta h MET 44 Cb 1.24 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.91 2kta h MET 44 CO 0.13 0.87 0.12 -0.09 1.06 0.00 0.00 176.91 179.00 2kta h ARG 45 N 0.33 0.56 -0.08 1.72 2.43 -0.43 -0.53 114.38 118.37 2kta h ARG 45 Ca 0.00 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2kta h ARG 45 Cb 1.08 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.54 2kta h ARG 45 CO 0.10 0.57 0.04 -0.22 -1.51 0.00 0.00 179.97 178.95 2kta h LYS 46 N 0.43 0.11 -0.08 0.20 3.64 -0.86 -2.22 116.57 117.79 2kta h LYS 46 Ca 0.12 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 2kta h LYS 46 Cb 0.24 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2kta h LYS 46 CO -0.00 0.17 -0.14 0.37 -2.27 0.00 0.00 179.45 177.58 2kta h GLN 47 N 0.03 0.13 -0.15 1.90 4.15 -0.72 -3.47 115.11 116.97 2kta h GLN 47 Ca 0.03 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2kta h GLN 47 Cb 0.09 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.76 2kta h GLN 47 CO -0.00 0.27 0.00 0.41 -1.93 0.00 0.00 178.83 177.58 2kta n GLY 48 N -0.97 0.94 0.00 2.39 0.00 -0.28 -4.97 105.19 102.30 2kta n GLY 48 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.85 1.68 -1.77 1.61 2.85 -0.76 -5.04 118.16 115.88 2kta n LYS 49 Ca 0.00 -1.13 -0.41 0.00 -1.05 0.00 0.00 58.31 55.72 2kta n LYS 49 Cb 0.33 -0.95 -0.00 0.00 -0.65 0.00 0.00 35.03 33.75 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 -0.65 4.32 0.23 -5.58 1.43 -1.13 -4.91 118.68 112.40 2kta s LEU 50 Ca 0.00 3.06 -0.31 0.00 -1.03 0.00 0.00 54.13 55.84 2kta s LEU 50 Cb 0.00 -3.66 -0.11 0.00 0.03 0.00 0.00 46.19 42.44 2kta s LEU 50 CO 0.00 -0.91 1.65 -2.84 0.23 0.00 0.00 176.35 174.48 2kta s PRO 51 N -1.73 4.14 0.12 1.29 0.02 -1.26 -4.93 135.00 132.66 2kta s PRO 51 Ca 0.56 2.55 -0.11 0.00 0.02 0.00 0.00 61.00 64.02 2kta s PRO 51 Cb -0.47 -3.07 -0.10 0.00 0.02 0.00 0.00 34.50 30.88 2kta s PRO 51 CO 0.60 -0.68 1.37 -0.97 -0.33 0.00 0.00 177.00 176.99 2kta h ASN 52 N 6.10 0.94 0.27 2.53 -1.24 -1.98 -1.09 115.58 121.11 2kta h ASN 52 Ca -0.44 -0.55 -0.00 0.00 0.71 0.00 0.00 56.30 56.01 2kta h ASN 52 Cb 1.21 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.97 2kta h ASN 52 CO 0.89 1.35 -0.20 0.44 -1.29 0.00 0.00 177.43 178.62 2kta h ASP 53 N 0.61 -0.53 -0.99 1.15 3.32 -1.99 0.21 116.42 118.19 2kta h ASP 53 Ca -0.01 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.10 2kta h ASP 53 Cb 1.26 0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.92 2kta h ASP 53 CO 0.14 -0.32 0.66 -0.09 -1.72 0.00 0.00 179.24 177.91 2kta h ARG 54 N -0.48 1.27 -0.18 3.56 2.43 -1.97 -0.91 114.38 118.09 2kta h ARG 54 Ca -0.02 -0.08 0.04 0.00 -0.81 0.00 0.00 59.98 59.11 2kta h ARG 54 Cb 0.42 -0.29 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 2kta h ARG 54 CO -0.00 0.84 -0.07 -0.09 -1.51 0.00 0.00 179.97 179.14 2kta h ARG 55 N 1.31 -0.03 -0.32 0.20 2.43 -0.44 -1.59 114.38 115.92 2kta h ARG 55 Ca 0.38 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.44 2kta h ARG 55 Cb -0.09 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 2kta h ARG 55 CO -0.10 -0.02 -0.25 1.25 -1.51 0.00 0.00 179.97 179.34 2kta h LEU 56 N -0.03 0.65 -1.45 3.80 5.85 -0.14 -2.39 115.31 121.59 2kta h LEU 56 Ca 0.09 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 2kta h LEU 56 Cb 0.18 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2kta h LEU 56 CO -0.21 0.89 0.09 -0.07 -0.34 0.00 0.00 178.44 178.79 2kta h LEU 57 N 0.56 0.41 -0.24 2.25 3.38 -0.76 0.28 115.31 121.18 2kta h LEU 57 Ca 0.08 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 2kta h LEU 57 Cb 0.73 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2kta h LEU 57 CO 0.06 0.41 -0.49 -0.07 0.09 0.00 0.00 178.44 178.43 2kta h LEU 58 N 0.44 0.85 -1.34 1.67 3.38 -0.87 -2.87 115.31 116.58 2kta h LEU 58 Ca 0.11 -0.55 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 2kta h LEU 58 Cb 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2kta h LEU 58 CO -0.01 1.24 -0.17 -0.78 0.09 0.00 0.00 178.44 178.81 2kta h ASP 59 N 0.50 0.22 -0.28 -0.43 3.58 -0.93 0.13 116.42 119.20 2kta h ASP 59 Ca 0.01 -0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.42 2kta h ASP 59 Cb 1.10 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.07 2kta h ASP 59 CO 0.11 0.41 0.15 0.11 -2.88 0.00 0.00 179.24 177.14 2kta h LYS 60 N 0.22 0.30 0.00 0.28 1.79 -0.80 -2.24 116.57 116.11 2kta h LYS 60 Ca 0.04 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2kta h LYS 60 Cb 0.44 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 2kta h LYS 60 CO 0.03 0.20 0.00 0.44 -1.08 0.00 0.00 179.45 179.03 2kta n ILE 61 N -4.96 0.22 0.00 1.86 -5.35 -1.03 -4.87 119.36 105.23 2kta n ILE 61 Ca -0.01 0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 2kta n ILE 61 Cb 0.06 -0.61 0.00 0.00 -1.74 0.00 0.00 39.64 37.35 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 1.15 1.26 3.68 3.28 0.00 -0.84 -4.51 105.19 109.20 2kta n GLY 62 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 2.90 0.02 1.61 5.36 0.39 -4.76 117.98 121.51 2kta s PHE 63 Ca 0.00 0.93 -0.24 0.00 -0.96 0.00 0.00 56.93 56.66 2kta s PHE 63 Cb 0.00 -3.58 -0.05 0.00 -0.34 0.00 0.00 43.02 39.05 2kta s PHE 63 CO 0.00 -2.08 0.71 0.54 -1.46 0.00 0.00 175.22 172.93 2kta s VAL 64 N 2.58 4.82 -0.53 3.12 0.11 -1.26 -4.10 120.40 125.14 2kta s VAL 64 Ca 0.61 1.50 0.08 0.00 -2.93 0.00 0.00 61.98 61.24 2kta s VAL 64 Cb -0.28 -4.06 0.50 0.00 -1.53 0.00 0.00 36.38 31.02 2kta s VAL 64 CO 0.24 0.37 1.28 0.79 -3.33 0.00 0.00 175.10 174.44 2kta n TRP 65 N 2.90 1.31 -1.08 1.54 7.02 -1.26 -4.99 117.44 122.88 2kta n TRP 65 Ca -0.04 -0.48 0.00 0.00 -1.02 0.00 0.00 57.50 55.97 2kta n TRP 65 Cb 0.51 -0.37 0.00 0.00 -2.42 0.00 0.00 31.31 29.03 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 0.36 -5.27 -2.84 -0.99 7.64 -1.26 -5.03 113.62 106.22 2kta n SER 66 Ca 0.18 0.62 -0.11 0.00 1.01 0.00 0.00 58.87 60.57 2kta n SER 66 Cb 0.85 -2.44 0.09 0.00 -1.01 0.00 0.00 64.21 61.70 2kta n SER 66 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2kta n LEU 67 N 0.52 0.00 -2.99 -3.43 4.32 -1.26 -4.62 117.00 109.55 2kta n LEU 67 Ca 0.00 -0.48 -0.05 0.00 -0.02 0.00 0.00 56.01 55.45 2kta n LEU 67 Cb 0.00 -0.38 0.01 0.00 -1.62 0.00 0.00 43.42 41.42 2kta n LEU 67 CO 0.00 -1.24 0.18 1.21 -1.22 0.00 0.00 177.39 176.32 2kta n GLU 68 N -2.53 -1.85 -4.08 3.23 4.07 -1.26 -5.01 120.64 113.21 2kta n GLU 68 Ca 0.06 1.78 -0.33 0.00 -0.06 0.00 0.00 57.16 58.61 2kta n GLU 68 Cb 0.22 -5.56 -0.16 0.00 -0.06 0.00 0.00 31.44 25.89 2kta n GLU 68 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2kta s HIS 69 N -2.78 2.91 0.23 4.31 2.46 -1.26 -5.11 115.29 116.04 2kta s HIS 69 Ca 0.13 -1.71 0.07 0.00 0.47 0.00 0.00 55.06 54.02 2kta s HIS 69 Cb -0.03 -1.95 -0.04 0.00 -0.13 0.00 0.00 32.58 30.43 2kta s HIS 69 CO 0.77 -0.80 0.14 -3.38 -2.47 0.00 0.00 174.74 169.00 2kta s HIS 70 N 1.27 3.03 -0.04 3.88 -3.43 -1.26 -5.12 115.29 113.62 2kta s HIS 70 Ca 0.02 -0.11 -0.02 0.00 -0.80 0.00 0.00 55.06 54.15 2kta s HIS 70 Cb -0.15 -1.39 -0.04 0.00 -1.43 0.00 0.00 32.58 29.58 2kta s HIS 70 CO -0.10 0.54 0.09 -1.01 -2.00 0.00 0.00 174.74 172.25 2kta s HIS 71 N -2.06 3.34 -0.29 0.38 3.76 -1.26 -5.10 115.29 114.07 2kta s HIS 71 Ca 0.32 0.28 -0.23 0.00 -0.15 0.00 0.00 55.06 55.28 2kta s HIS 71 Cb -0.08 -1.79 0.15 0.00 1.11 0.00 0.00 32.58 31.96 2kta s HIS 71 CO 0.23 0.58 1.12 -1.58 -0.85 0.00 0.00 174.74 174.25 2kta s HIS 72 N -1.12 -0.38 -0.49 1.40 5.04 -1.26 -5.13 115.29 113.35 2kta s HIS 72 Ca 0.20 0.88 0.06 0.00 -1.54 0.00 0.00 55.06 54.66 2kta s HIS 72 Cb -0.12 0.37 0.21 0.00 0.04 0.00 0.00 32.58 33.08 2kta s HIS 72 CO 0.10 -0.18 0.73 -2.39 -2.34 0.00 0.00 174.74 170.66 2kta n HIS 73 N 2.41 -3.20 -1.40 3.88 1.44 -1.26 -5.18 115.22 111.92 2kta n HIS 73 Ca -0.13 -1.80 0.00 0.00 -2.01 0.00 0.00 57.72 53.77 2kta n HIS 73 Cb 0.56 1.28 0.00 0.00 0.12 0.00 0.00 29.99 31.96 2kta n HIS 73 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11