#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 2.58 0.38 3.17 2.47 -1.26 -5.12 114.94 117.16 2kta s ASN 2 Ca 0.00 -0.45 -0.25 0.00 0.42 0.00 0.00 52.86 52.57 2kta s ASN 2 Cb 0.00 -1.13 -0.09 0.00 -1.45 0.00 0.00 41.25 38.59 2kta s ASN 2 CO 0.00 -0.05 1.11 -1.10 -3.72 0.00 0.00 177.10 173.34 2kta s GLN 3 N 1.41 4.19 -0.03 0.43 -0.21 -1.26 -4.95 119.66 119.26 2kta s GLN 3 Ca 0.03 1.70 0.10 0.00 0.02 0.00 0.00 55.36 57.21 2kta s GLN 3 Cb -0.13 -2.70 -0.23 0.00 1.00 0.00 0.00 33.01 30.94 2kta s GLN 3 CO -0.09 -0.16 0.73 -0.91 -2.12 0.00 0.00 175.29 172.74 2kta h ASN 4 N 2.77 0.04 -3.92 5.90 2.35 -2.03 -3.51 115.58 117.17 2kta h ASN 4 Ca -0.48 -0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.21 2kta h ASN 4 Cb 1.22 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.57 2kta h ASN 4 CO 0.63 1.06 -0.48 0.18 -1.65 0.00 0.00 177.43 177.18 2kta n LEU 5 N -3.12 -0.79 -4.44 1.61 7.99 -1.26 -4.75 117.00 112.24 2kta n LEU 5 Ca -0.16 1.36 -0.43 0.00 -0.01 0.00 0.00 56.01 56.77 2kta n LEU 5 Cb 1.04 -1.04 -0.04 0.00 -0.11 0.00 0.00 43.42 43.27 2kta n LEU 5 CO 0.45 -0.45 0.71 -1.10 -1.51 0.00 0.00 177.39 175.50 2kta s GLN 6 N -4.61 3.12 0.00 3.23 -0.21 -1.26 -4.51 119.66 115.42 2kta s GLN 6 Ca 0.00 -0.94 0.00 0.00 0.02 0.00 0.00 55.36 54.44 2kta s GLN 6 Cb 0.00 -4.26 0.00 0.00 1.00 0.00 0.00 33.01 29.75 2kta s GLN 6 CO 0.00 -1.78 0.00 0.41 -2.12 0.00 0.00 175.29 171.80 2kta n GLY 7 N 5.33 0.97 0.14 3.09 0.00 -1.26 -4.91 105.19 108.55 2kta n GLY 7 Ca -0.04 -0.62 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 0.39 0.00 1.61 4.81 -1.86 -1.36 114.58 118.18 2kta h GLU 8 Ca 0.00 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.02 2kta h GLU 8 Cb 0.00 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2kta h GLU 8 CO 0.00 0.28 -0.85 2.35 -0.73 0.00 0.00 179.01 180.06 2kta h TRP 9 N 0.39 0.04 -0.74 0.92 7.01 -1.97 0.06 115.95 121.64 2kta h TRP 9 Ca 0.11 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 2kta h TRP 9 Cb -0.02 -0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.00 2kta h TRP 9 CO -0.05 0.86 0.41 0.52 -2.79 0.00 0.00 178.44 177.40 2kta h MET 10 N 0.01 1.03 -0.02 2.65 2.86 -1.86 0.35 114.93 119.95 2kta h MET 10 Ca -0.01 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 2kta h MET 10 Cb 1.50 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 32.95 2kta h MET 10 CO 0.11 0.75 -0.02 -0.22 1.06 0.00 0.00 176.91 178.59 2kta h LYS 11 N 1.03 0.05 -0.54 1.72 3.64 -1.02 -3.29 116.57 118.17 2kta h LYS 11 Ca 0.26 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.69 2kta h LYS 11 Cb 0.02 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.77 2kta h LYS 11 CO -0.04 0.55 0.19 -0.91 -2.27 0.00 0.00 179.45 176.96 2kta h ASN 12 N -0.43 0.18 -0.38 4.20 2.35 -0.51 -2.95 115.58 118.03 2kta h ASN 12 Ca 0.00 0.07 0.05 0.00 -0.55 0.00 0.00 56.30 55.88 2kta h ASN 12 Cb 0.54 0.06 -0.05 0.00 0.05 0.00 0.00 38.32 38.92 2kta h ASN 12 CO 0.01 0.12 0.08 0.22 -1.65 0.00 0.00 177.43 176.21 2kta h TYR 13 N 0.36 0.14 -0.22 1.19 3.20 -0.40 0.60 116.97 121.85 2kta h TYR 13 Ca 0.26 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 62.04 2kta h TYR 13 Cb 0.30 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 2kta h TYR 13 CO -0.17 0.03 -0.36 1.05 -1.64 0.00 0.00 178.16 177.07 2kta h GLU 14 N 0.21 0.48 0.01 1.82 4.11 -1.59 -1.61 114.58 118.00 2kta h GLU 14 Ca 0.18 -0.22 -0.25 0.00 0.07 0.00 0.00 59.36 59.14 2kta h GLU 14 Cb 0.20 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.46 2kta h GLU 14 CO -0.23 0.77 -0.96 0.93 0.07 0.00 0.00 179.01 179.59 2kta h GLU 15 N 0.40 0.64 0.21 1.06 5.08 -1.29 -3.23 114.58 117.46 2kta h GLU 15 Ca 0.04 -0.70 0.01 0.00 -1.00 0.00 0.00 59.36 57.71 2kta h GLU 15 Cb 0.82 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 2kta h GLU 15 CO 0.07 1.29 -0.23 1.25 -1.00 0.00 0.00 179.01 180.38 2kta h LEU 16 N 0.28 -0.63 -0.26 1.33 5.85 0.43 0.16 115.31 122.47 2kta h LEU 16 Ca -0.12 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.72 2kta h LEU 16 Cb 1.63 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 42.81 2kta h LEU 16 CO 0.19 -0.34 -0.21 0.11 -0.34 0.00 0.00 178.44 177.85 2kta h LYS 17 N -0.49 -0.19 -0.57 1.25 1.57 -1.43 0.23 116.57 116.95 2kta h LYS 17 Ca 0.00 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2kta h LYS 17 Cb 0.46 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 2kta h LYS 17 CO -0.07 -0.13 0.35 0.77 -0.57 0.00 0.00 179.45 179.81 2kta h SER 18 N -0.20 0.58 0.16 0.86 0.02 -1.52 0.16 113.55 113.61 2kta h SER 18 Ca 0.14 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 2kta h SER 18 Cb 0.42 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2kta h SER 18 CO -0.38 0.41 -0.07 0.15 -1.14 0.00 0.00 176.83 175.79 2kta h PHE 19 N 0.70 -0.19 -0.39 3.45 3.04 0.12 -2.97 116.94 120.69 2kta h PHE 19 Ca 0.23 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.17 2kta h PHE 19 Cb 0.00 0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.56 2kta h PHE 19 CO -0.05 0.16 0.26 0.28 -2.02 0.00 0.00 178.31 176.93 2kta h VAL 20 N -0.58 1.10 0.00 1.41 2.07 -0.55 0.58 116.25 120.29 2kta h VAL 20 Ca -0.02 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2kta h VAL 20 Cb 0.44 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2kta h VAL 20 CO 0.04 0.10 -0.05 -0.09 0.02 0.00 0.00 177.57 177.59 2kta h ARG 21 N 0.53 0.00 0.00 1.57 1.12 -0.80 0.71 114.38 117.51 2kta h ARG 21 Ca 0.14 0.00 -0.19 0.00 -1.11 0.00 0.00 59.98 58.83 2kta h ARG 21 Cb -0.05 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 29.88 2kta h ARG 21 CO -0.03 0.05 -1.50 1.17 -3.11 0.00 0.00 179.97 176.55 2kta n LYS 22 N -4.02 0.32 0.05 0.20 4.81 -0.65 -4.73 118.16 114.14 2kta n LYS 22 Ca -0.03 0.14 0.12 0.00 -0.87 0.00 0.00 58.31 57.67 2kta n LYS 22 Cb 0.14 -1.04 0.09 0.00 0.02 0.00 0.00 35.03 34.24 2kta n LYS 22 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2kta n TYR 23 N -3.79 0.51 0.00 5.64 4.02 0.19 -4.94 117.16 118.80 2kta n TYR 23 Ca -0.24 0.15 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 2kta n TYR 23 Cb 0.60 -0.62 0.00 0.00 -0.02 0.00 0.00 39.34 39.29 2kta n TYR 23 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2kta n ARG 24 N -2.15 0.00 0.00 -0.72 5.12 0.24 -4.82 116.66 114.34 2kta n ARG 24 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 2kta n ARG 24 Cb 0.46 -1.69 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 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 -1.79 -1.26 -3.46 5.56 1.85 -1.26 -3.39 116.66 112.91 2kta n ARG 25 Ca 0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 56.57 2kta n ARG 25 Cb 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.30 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 -2.00 1.02 -0.60 2.89 -0.71 -1.26 -4.87 117.98 112.45 2kta s PHE 26 Ca 0.00 -2.01 0.25 0.00 -1.04 0.00 0.00 56.93 54.14 2kta s PHE 26 Cb 0.00 -1.02 0.87 0.00 -1.21 0.00 0.00 43.02 41.66 2kta s PHE 26 CO 0.00 -0.82 1.75 -1.00 -1.34 0.00 0.00 175.22 173.82 2kta h PRO 27 N 6.38 0.00 -2.00 1.99 0.13 -1.99 -3.38 132.00 133.14 2kta h PRO 27 Ca 0.14 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.81 2kta h PRO 27 Cb 0.94 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.75 2kta h PRO 27 CO 0.33 0.00 -0.83 0.21 -0.23 0.00 0.00 178.00 177.48 2kta s LYS 28 N -3.20 0.91 -0.25 0.86 2.20 -1.26 -5.00 119.74 114.00 2kta s LYS 28 Ca 0.08 -1.71 -0.17 0.00 -0.36 0.00 0.00 55.97 53.80 2kta s LYS 28 Cb 0.11 -1.01 -0.15 0.00 -1.51 0.00 0.00 37.83 35.26 2kta s LYS 28 CO 0.53 -1.35 -0.10 0.45 -0.36 0.00 0.00 175.35 174.52 2kta n SER 29 N 3.04 1.91 0.00 1.43 2.88 -1.26 -4.95 113.62 116.67 2kta n SER 29 Ca 0.25 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 2kta n SER 29 Cb 0.49 -0.89 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 2kta n SER 29 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2kta n THR 30 N -4.34 0.00 -3.57 2.46 -1.04 -1.26 -4.80 114.28 101.73 2kta n THR 30 Ca -0.44 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.36 2kta n THR 30 Cb 0.79 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.29 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 0.00 3.30 0.73 -2.82 2.02 -1.26 -4.54 118.70 116.12 2kta s GLU 31 Ca 0.00 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.27 2kta s GLU 31 Cb 0.00 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.45 2kta s GLU 31 CO 0.00 0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.86 2kta n GLY 32 N -1.64 -1.84 0.20 -1.39 0.00 -1.26 -0.28 105.19 98.97 2kta n GLY 32 Ca -0.04 -1.28 0.06 0.00 0.00 0.00 0.00 46.02 44.75 2kta n GLY 32 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2kta h ASN 33 N -0.41 0.00 -0.48 1.61 -1.24 -1.98 -2.91 115.58 110.16 2kta h ASN 33 Ca 0.01 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.99 2kta h ASN 33 Cb 0.41 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.44 2kta h ASN 33 CO 0.00 0.34 0.17 -0.07 -1.29 0.00 0.00 177.43 176.58 2kta h LEU 34 N 0.00 0.68 -0.86 0.34 3.38 -1.95 0.17 115.31 117.06 2kta h LEU 34 Ca -0.00 -0.19 0.15 0.00 0.09 0.00 0.00 57.88 57.93 2kta h LEU 34 Cb 0.73 -0.18 -0.10 0.00 0.09 0.00 0.00 40.66 41.21 2kta h LEU 34 CO 0.04 0.68 0.44 1.23 0.09 0.00 0.00 178.44 180.92 2kta h GLY 35 N 0.63 1.40 1.59 0.83 0.00 -0.44 0.10 103.07 107.19 2kta h GLY 35 Ca 0.16 -0.25 -0.27 0.00 0.00 0.00 0.00 47.33 46.97 2kta h GLY 35 CO -0.01 -0.06 -1.28 -1.33 0.00 0.00 0.00 176.54 173.87 2kta h GLY 36 N 0.61 0.27 0.72 4.60 0.00 -1.53 -3.01 103.07 104.72 2kta h GLY 36 Ca 0.47 -0.69 0.03 0.00 0.00 0.00 0.00 47.33 47.15 2kta h GLY 36 CO -0.38 0.60 0.02 -0.25 0.00 0.00 0.00 176.54 176.53 2kta h TRP 37 N 0.06 0.02 -0.02 5.60 7.01 0.04 -0.22 115.95 128.45 2kta h TRP 37 Ca -0.14 0.01 0.01 0.00 2.11 0.00 0.00 58.89 60.88 2kta h TRP 37 Cb 1.96 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 29.03 2kta h TRP 37 CO 0.06 -0.01 -0.06 0.00 -2.79 0.00 0.00 178.44 175.64 2kta h HIS 39 N -0.09 0.94 0.14 0.00 3.86 -1.35 -2.28 115.15 116.38 2kta h HIS 39 Ca 0.03 -0.02 -0.30 0.00 -1.16 0.00 0.00 60.37 58.91 2kta h HIS 39 Cb 0.13 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.30 2kta h HIS 39 CO -0.13 0.67 -1.47 1.15 0.86 0.00 0.00 177.93 179.01 2kta h THR 40 N 0.96 1.24 0.00 2.45 2.02 -0.82 -3.31 112.91 115.44 2kta h THR 40 Ca 0.24 -2.84 0.00 0.00 0.77 0.00 0.00 66.41 64.58 2kta h THR 40 Cb 0.06 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 2kta h THR 40 CO -0.04 0.84 0.00 1.56 0.37 0.00 0.00 175.52 178.25 2kta h GLN 41 N 0.08 0.00 -0.51 6.66 7.50 -0.45 -2.62 115.11 125.76 2kta h GLN 41 Ca -0.22 0.00 0.09 0.00 0.50 0.00 0.00 58.65 59.02 2kta h GLN 41 Cb 2.03 0.00 -0.08 0.00 0.05 0.00 0.00 27.48 29.48 2kta h GLN 41 CO 0.19 0.00 0.08 0.00 -1.50 0.00 0.00 178.83 177.60 2kta h ARG 42 N 0.00 0.20 -0.28 1.46 2.47 -1.50 0.30 114.38 117.03 2kta h ARG 42 Ca 0.00 -0.01 -0.13 0.00 -1.26 0.00 0.00 59.98 58.57 2kta h ARG 42 Cb 0.58 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.85 2kta h ARG 42 CO 0.00 0.13 -0.35 -0.22 0.56 0.00 0.00 179.97 180.10 2kta h LYS 43 N 0.21 0.73 -0.44 0.04 3.11 -1.67 -2.21 116.57 116.34 2kta h LYS 43 Ca 0.26 -0.41 -0.05 0.00 -2.81 0.00 0.00 60.65 57.64 2kta h LYS 43 Cb 0.37 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.61 2kta h LYS 43 CO -0.36 1.03 0.05 0.52 -2.81 0.00 0.00 179.45 177.88 2kta h MET 44 N 0.48 0.68 -0.01 1.90 0.00 -1.43 0.26 114.93 116.80 2kta h MET 44 Ca 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 59.70 59.58 2kta h MET 44 Cb 0.93 -0.10 -0.00 0.00 0.00 0.00 0.00 31.60 32.43 2kta h MET 44 CO 0.08 0.67 -0.01 -0.09 0.00 0.00 0.00 176.91 177.56 2kta h ARG 45 N 0.65 0.03 -0.05 1.72 1.12 -0.88 0.07 114.38 117.04 2kta h ARG 45 Ca 0.14 -0.02 -0.13 0.00 -1.11 0.00 0.00 59.98 58.87 2kta h ARG 45 Cb 0.34 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.29 2kta h ARG 45 CO 0.01 0.49 -0.55 -0.22 -3.11 0.00 0.00 179.97 176.60 2kta h LYS 46 N -0.43 0.14 0.00 0.20 3.11 -1.20 -2.47 116.57 115.93 2kta h LYS 46 Ca 0.00 -0.09 -0.03 0.00 -2.81 0.00 0.00 60.65 57.73 2kta h LYS 46 Cb 0.49 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.72 2kta h LYS 46 CO 0.00 0.65 -0.14 0.37 -2.81 0.00 0.00 179.45 177.53 2kta h GLN 47 N 0.11 0.00 -1.10 1.90 5.75 -0.48 -3.47 115.11 117.82 2kta h GLN 47 Ca -0.00 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 2kta h GLN 47 Cb 1.00 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.56 2kta h GLN 47 CO 0.08 0.14 -0.05 0.41 -2.65 0.00 0.00 178.83 176.75 2kta n GLY 48 N 0.31 0.71 0.00 2.39 0.00 -0.74 -4.95 105.19 102.90 2kta n GLY 48 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.93 0.04 -2.22 1.61 2.85 -0.07 -5.02 118.16 114.42 2kta n LYS 49 Ca -0.00 -0.41 -0.39 0.00 -1.05 0.00 0.00 58.31 56.45 2kta n LYS 49 Cb 0.51 -0.91 -0.02 0.00 -0.65 0.00 0.00 35.03 33.96 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 -0.25 4.28 0.25 -5.58 1.43 -0.78 -4.98 118.68 113.05 2kta s LEU 50 Ca 0.00 2.48 -0.30 0.00 -1.03 0.00 0.00 54.13 55.28 2kta s LEU 50 Cb 0.00 -3.89 -0.09 0.00 0.03 0.00 0.00 46.19 42.24 2kta s LEU 50 CO 0.00 -0.65 1.13 -2.84 0.23 0.00 0.00 176.35 174.23 2kta s PRO 51 N -2.11 4.58 0.20 1.29 0.02 -1.26 -4.97 135.00 132.75 2kta s PRO 51 Ca 0.54 1.83 -0.00 0.00 0.02 0.00 0.00 61.00 63.39 2kta s PRO 51 Cb -0.34 -3.21 0.13 0.00 0.02 0.00 0.00 34.50 31.10 2kta s PRO 51 CO 0.44 0.10 1.49 -0.91 -0.33 0.00 0.00 177.00 177.79 2kta h ASN 52 N 4.28 0.47 -0.12 2.53 4.21 -2.00 -3.23 115.58 121.72 2kta h ASN 52 Ca -0.46 -0.28 0.04 0.00 1.21 0.00 0.00 56.30 56.81 2kta h ASN 52 Cb 1.21 -0.14 -0.04 0.00 -1.12 0.00 0.00 38.32 38.23 2kta h ASN 52 CO 0.69 0.99 -0.15 0.44 -1.29 0.00 0.00 177.43 178.11 2kta h ASP 53 N 0.30 -0.46 -0.94 5.81 3.32 -2.00 -0.58 116.42 121.85 2kta h ASP 53 Ca -0.01 0.09 0.10 0.00 0.02 0.00 0.00 57.03 57.23 2kta h ASP 53 Cb 1.19 0.22 -0.07 0.00 0.22 0.00 0.00 39.33 40.89 2kta h ASP 53 CO 0.11 -0.20 0.61 -0.09 -1.72 0.00 0.00 179.24 177.95 2kta h ARG 54 N -0.19 0.92 -0.63 3.56 2.43 -1.99 -0.63 114.38 117.85 2kta h ARG 54 Ca 0.09 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2kta h ARG 54 Cb 0.32 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 2kta h ARG 54 CO -0.23 0.61 0.42 -0.09 -1.51 0.00 0.00 179.97 179.16 2kta h ARG 55 N 0.95 0.82 -0.03 0.20 2.43 -1.15 -1.84 114.38 115.75 2kta h ARG 55 Ca 0.45 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 59.39 2kta h ARG 55 Cb 0.43 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2kta h ARG 55 CO -0.21 0.54 -0.77 -0.07 -1.51 0.00 0.00 179.97 177.96 2kta h LEU 56 N 0.85 0.31 -1.29 3.80 -0.00 -0.53 -3.00 115.31 115.46 2kta h LEU 56 Ca 0.24 -0.22 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 2kta h LEU 56 Cb -0.08 -0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 40.45 2kta h LEU 56 CO -0.06 0.97 0.35 -0.07 -0.00 0.00 0.00 178.44 179.63 2kta h LEU 57 N 0.16 0.74 -0.96 1.67 3.38 -0.71 -2.08 115.31 117.50 2kta h LEU 57 Ca -0.03 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 2kta h LEU 57 Cb 1.35 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 2kta h LEU 57 CO 0.12 0.59 0.18 -0.07 0.09 0.00 0.00 178.44 179.35 2kta h LEU 58 N 0.85 0.87 -1.89 1.67 3.38 -1.20 -1.83 115.31 117.15 2kta h LEU 58 Ca 0.22 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2kta h LEU 58 Cb -0.00 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 2kta h LEU 58 CO -0.04 0.83 -0.13 -0.78 0.09 0.00 0.00 178.44 178.41 2kta h ASP 59 N 0.91 0.00 0.37 -0.43 3.58 -1.36 0.24 116.42 119.73 2kta h ASP 59 Ca 0.20 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.41 2kta h ASP 59 Cb 0.27 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.33 2kta h ASP 59 CO -0.01 0.13 -1.05 0.50 -2.88 0.00 0.00 179.24 175.93 2kta h LYS 60 N 0.00 0.41 0.00 0.28 3.64 -1.16 -2.99 116.57 116.75 2kta h LYS 60 Ca -0.00 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2kta h LYS 60 Cb 0.31 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2kta h LYS 60 CO 0.02 1.17 -0.09 0.44 -2.27 0.00 0.00 179.45 178.71 2kta n ILE 61 N -3.71 0.26 0.00 2.00 -5.35 -1.05 -4.91 119.36 106.60 2kta n ILE 61 Ca -0.08 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 2kta n ILE 61 Cb 0.90 -0.44 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 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 1.41 1.32 3.59 3.28 0.00 -0.91 -4.56 105.19 109.33 2kta n GLY 62 Ca 0.06 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 2.40 0.04 1.61 2.19 0.80 -4.78 117.98 118.24 2kta s PHE 63 Ca 0.00 0.55 -0.30 0.00 0.33 0.00 0.00 56.93 57.51 2kta s PHE 63 Cb 0.00 -4.39 -0.04 0.00 -1.31 0.00 0.00 43.02 37.28 2kta s PHE 63 CO 0.00 -1.87 1.04 0.54 1.83 0.00 0.00 175.22 176.76 2kta s VAL 64 N 5.62 4.56 -0.72 3.12 0.11 -1.22 -4.05 120.40 127.82 2kta s VAL 64 Ca 0.54 1.89 0.11 0.00 -2.93 0.00 0.00 61.98 61.58 2kta s VAL 64 Cb -0.11 -4.21 0.55 0.00 -1.53 0.00 0.00 36.38 31.09 2kta s VAL 64 CO 0.28 0.18 1.37 0.79 -3.33 0.00 0.00 175.10 174.39 2kta n TRP 65 N 3.67 1.34 -4.80 1.54 7.02 -1.26 -4.98 117.44 119.97 2kta n TRP 65 Ca 0.06 -0.48 0.00 0.00 -1.02 0.00 0.00 57.50 56.06 2kta n TRP 65 Cb 0.49 -0.33 0.00 0.00 -2.42 0.00 0.00 31.31 29.05 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 0.53 -3.60 -1.04 -0.99 2.88 -1.26 -5.03 113.62 105.10 2kta n SER 66 Ca 0.19 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.87 2kta n SER 66 Cb 0.84 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.26 2kta n SER 66 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2kta n LEU 67 N 0.00 -0.53 -4.44 2.46 7.94 -1.26 -4.30 117.00 116.88 2kta n LEU 67 Ca 0.00 1.17 -0.43 0.00 -1.11 0.00 0.00 56.01 55.64 2kta n LEU 67 Cb 0.00 -3.17 0.00 0.00 0.53 0.00 0.00 43.42 40.78 2kta n LEU 67 CO 0.00 -2.72 1.88 1.21 -1.11 0.00 0.00 177.39 176.66 2kta n GLU 68 N -3.40 3.23 -3.29 1.96 2.13 -1.26 -4.87 120.64 115.14 2kta n GLU 68 Ca 0.00 -3.39 -0.47 0.00 0.66 0.00 0.00 57.16 53.97 2kta n GLU 68 Cb 0.48 -3.33 -0.02 0.00 0.27 0.00 0.00 31.44 28.84 2kta n GLU 68 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2kta s HIS 69 N 3.21 3.71 -0.64 4.31 3.76 -1.26 -5.01 115.29 123.37 2kta s HIS 69 Ca 0.50 -1.94 -0.27 0.00 -0.15 0.00 0.00 55.06 53.19 2kta s HIS 69 Cb 0.03 -3.87 0.01 0.00 1.11 0.00 0.00 32.58 29.87 2kta s HIS 69 CO 0.04 -1.04 1.51 -1.58 -0.85 0.00 0.00 174.74 172.82 2kta s HIS 70 N 0.40 2.08 -0.56 1.40 5.04 -1.26 -4.94 115.29 117.44 2kta s HIS 70 Ca 0.19 0.38 -0.28 0.00 -1.54 0.00 0.00 55.06 53.81 2kta s HIS 70 Cb -0.09 -4.38 0.03 0.00 0.04 0.00 0.00 32.58 28.17 2kta s HIS 70 CO -0.09 -2.14 1.15 -1.58 -2.34 0.00 0.00 174.74 169.75 2kta s HIS 71 N 6.90 2.66 -0.03 3.88 2.46 -1.26 -5.00 115.29 124.91 2kta s HIS 71 Ca 0.51 0.42 -0.22 0.00 0.47 0.00 0.00 55.06 56.23 2kta s HIS 71 Cb -0.10 -4.45 -0.05 0.00 -0.13 0.00 0.00 32.58 27.85 2kta s HIS 71 CO 0.20 -1.50 0.65 -1.58 -2.47 0.00 0.00 174.74 170.04 2kta s HIS 72 N 4.75 3.64 0.42 3.88 2.46 -1.26 -5.06 115.29 124.11 2kta s HIS 72 Ca 0.42 1.24 -0.22 0.00 0.47 0.00 0.00 55.06 56.97 2kta s HIS 72 Cb -0.08 -2.71 -0.10 0.00 -0.13 0.00 0.00 32.58 29.56 2kta s HIS 72 CO 0.26 0.23 0.97 -3.38 -2.47 0.00 0.00 174.74 170.35 2kta s HIS 73 N 0.26 3.33 0.00 3.88 -3.43 -1.26 -5.33 115.29 112.75 2kta s HIS 73 Ca 0.34 1.64 0.00 0.00 -0.80 0.00 0.00 55.06 56.24 2kta s HIS 73 Cb -0.18 -2.92 0.00 0.00 -1.43 0.00 0.00 32.58 28.05 2kta s HIS 73 CO 0.18 -0.20 0.00 -2.39 -2.00 0.00 0.00 174.74 170.33