#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 6.85 -0.22 7.83 2.20 -1.26 -4.85 114.94 125.49 2kta s ASN 2 Ca 0.00 -3.05 -0.17 0.00 -0.94 0.00 0.00 52.86 48.70 2kta s ASN 2 Cb 0.00 -2.18 -0.13 0.00 -2.00 0.00 0.00 41.25 36.94 2kta s ASN 2 CO 0.00 -0.45 -0.11 1.67 -2.94 0.00 0.00 177.10 175.27 2kta n GLN 3 N 3.45 0.55 -3.17 3.55 7.27 -1.26 -4.85 117.38 122.92 2kta n GLN 3 Ca 0.17 0.42 -0.41 0.00 0.07 0.00 0.00 57.00 57.25 2kta n GLN 3 Cb 0.44 -1.61 -0.07 0.00 2.41 0.00 0.00 30.24 31.40 2kta n GLN 3 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 2kta s ASN 4 N -6.79 6.40 0.03 1.69 -0.87 -1.26 -5.05 114.94 109.09 2kta s ASN 4 Ca -0.30 0.18 -0.06 0.00 -1.57 0.00 0.00 52.86 51.11 2kta s ASN 4 Cb 0.08 -2.30 -0.05 0.00 -0.02 0.00 0.00 41.25 38.96 2kta s ASN 4 CO 0.48 -0.50 0.27 -0.76 -2.57 0.00 0.00 177.10 174.02 2kta s LEU 5 N 2.54 4.36 -0.04 0.60 1.43 -1.26 -5.09 118.68 121.22 2kta s LEU 5 Ca 0.22 0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 53.84 2kta s LEU 5 Cb -0.15 -2.78 0.03 0.00 0.03 0.00 0.00 46.19 43.32 2kta s LEU 5 CO 0.13 0.22 0.06 -1.58 0.23 0.00 0.00 176.35 175.41 2kta s GLN 6 N -1.95 -0.05 -1.47 1.70 -0.44 -1.26 -5.06 119.66 111.13 2kta s GLN 6 Ca 0.30 0.31 -0.12 0.00 -2.50 0.00 0.00 55.36 53.35 2kta s GLN 6 Cb -0.13 -0.37 -0.04 0.00 -1.64 0.00 0.00 33.01 30.83 2kta s GLN 6 CO 0.18 -0.25 2.58 0.41 0.50 0.00 0.00 175.29 178.71 2kta n GLY 7 N 4.78 4.15 0.14 2.59 0.00 -1.26 -4.52 105.19 111.08 2kta n GLY 7 Ca -0.15 -1.48 0.02 0.00 0.00 0.00 0.00 46.02 44.42 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 5.61 0.00 -0.31 1.61 4.81 -1.98 -2.28 114.58 122.04 2kta h GLU 8 Ca 0.71 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.91 2kta h GLU 8 Cb 0.42 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2kta h GLU 8 CO 1.81 0.54 0.06 2.35 -0.73 0.00 0.00 179.01 183.04 2kta h TRP 9 N 0.00 0.54 -0.93 0.92 7.01 -1.99 0.11 115.95 121.60 2kta h TRP 9 Ca -0.01 -0.07 0.05 0.00 2.11 0.00 0.00 58.89 60.97 2kta h TRP 9 Cb 1.27 -0.15 -0.06 0.00 -2.10 0.00 0.00 29.16 28.13 2kta h TRP 9 CO 0.00 0.58 0.60 1.98 -2.79 0.00 0.00 178.44 178.81 2kta h MET 10 N 0.33 1.10 0.44 2.65 4.05 -1.90 0.39 114.93 121.98 2kta h MET 10 Ca 0.09 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 2kta h MET 10 Cb 0.33 -0.25 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 2kta h MET 10 CO 0.00 0.73 -0.30 -0.22 0.23 0.00 0.00 176.91 177.35 2kta h LYS 11 N 1.13 -0.70 -0.96 0.39 3.64 -0.98 -0.63 116.57 118.47 2kta h LYS 11 Ca 0.38 0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.84 2kta h LYS 11 Cb 0.07 0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 2kta h LYS 11 CO -0.14 -0.46 0.63 -0.91 -2.27 0.00 0.00 179.45 176.29 2kta h ASN 12 N -0.72 1.05 -0.23 4.20 2.35 -0.25 -0.09 115.58 121.89 2kta h ASN 12 Ca -0.05 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.70 2kta h ASN 12 Cb 0.61 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 2kta h ASN 12 CO 0.03 0.73 0.13 0.22 -1.65 0.00 0.00 177.43 176.89 2kta h TYR 13 N 1.23 0.24 -0.67 1.19 3.20 0.02 0.55 116.97 122.73 2kta h TYR 13 Ca 0.37 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.19 2kta h TYR 13 Cb -0.03 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 2kta h TYR 13 CO -0.00 0.15 0.19 0.93 -1.64 0.00 0.00 178.16 177.78 2kta h GLU 14 N 0.27 1.06 -0.22 1.82 4.39 -0.57 0.46 114.58 121.79 2kta h GLU 14 Ca 0.09 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 2kta h GLU 14 Cb -0.00 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 2kta h GLU 14 CO -0.05 0.93 -0.00 0.93 -1.16 0.00 0.00 179.01 179.67 2kta h GLU 15 N 0.99 0.31 0.09 2.33 4.39 -0.69 -0.35 114.58 121.66 2kta h GLU 15 Ca 0.21 -0.05 -0.29 0.00 0.34 0.00 0.00 59.36 59.57 2kta h GLU 15 Cb 0.33 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 2kta h GLU 15 CO -0.00 0.34 -1.51 1.25 -1.16 0.00 0.00 179.01 177.93 2kta h LEU 16 N 0.31 0.29 -1.29 1.33 6.46 -0.37 0.52 115.31 122.56 2kta h LEU 16 Ca 0.07 -0.42 0.11 0.00 -0.12 0.00 0.00 57.88 57.53 2kta h LEU 16 Cb 0.21 -0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 39.99 2kta h LEU 16 CO 0.00 1.35 0.55 0.50 -0.62 0.00 0.00 178.44 180.23 2kta h LYS 17 N 0.05 0.73 0.00 1.25 3.11 0.26 0.46 116.57 122.44 2kta h LYS 17 Ca -0.23 -0.04 -0.18 0.00 -2.81 0.00 0.00 60.65 57.39 2kta h LYS 17 Cb 1.99 -0.16 -0.03 0.00 -1.00 0.00 0.00 32.23 33.03 2kta h LYS 17 CO 0.14 0.48 -0.96 0.77 -2.81 0.00 0.00 179.45 177.07 2kta h SER 18 N 0.75 0.00 0.27 4.20 0.02 -0.97 -3.31 113.55 114.51 2kta h SER 18 Ca 0.41 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 61.14 2kta h SER 18 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2kta h SER 18 CO -0.17 0.77 -0.90 0.15 -1.14 0.00 0.00 176.83 175.54 2kta h PHE 19 N 0.00 0.66 -0.85 3.45 3.04 0.98 -0.15 116.94 124.07 2kta h PHE 19 Ca -0.06 -0.34 0.05 0.00 3.98 0.00 0.00 57.97 61.60 2kta h PHE 19 Cb 1.64 -0.08 -0.05 0.00 2.56 0.00 0.00 35.95 40.01 2kta h PHE 19 CO 0.00 1.15 0.56 0.28 -2.02 0.00 0.00 178.31 178.27 2kta h VAL 20 N 0.27 1.09 0.00 1.41 2.07 -0.29 0.56 116.25 121.36 2kta h VAL 20 Ca -0.07 -0.34 -0.08 0.00 0.82 0.00 0.00 66.70 67.03 2kta h VAL 20 Cb 1.52 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2kta h VAL 20 CO 0.16 0.18 -0.39 -0.09 0.02 0.00 0.00 177.57 177.45 2kta h ARG 21 N 0.99 0.00 0.40 1.57 1.12 -1.58 -0.17 114.38 116.71 2kta h ARG 21 Ca 0.36 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 59.21 2kta h ARG 21 Cb 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.11 2kta h ARG 21 CO -0.12 0.39 -0.19 -0.22 -3.11 0.00 0.00 179.97 176.72 2kta h LYS 22 N 0.00 -0.52 0.00 0.20 1.63 0.94 -3.40 116.57 115.41 2kta h LYS 22 Ca -0.00 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2kta h LYS 22 Cb 1.10 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 2kta h LYS 22 CO 0.05 -0.35 0.00 0.66 -3.45 0.00 0.00 179.45 176.36 2kta n TYR 23 N -4.99 0.00 -2.59 1.91 4.01 -0.16 -5.07 117.16 110.27 2kta n TYR 23 Ca -0.07 -0.14 -0.02 0.00 -0.16 0.00 0.00 57.90 57.51 2kta n TYR 23 Cb 0.21 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.21 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 -0.14 -3.72 0.00 -0.72 5.12 -0.08 -4.85 116.66 112.28 2kta n ARG 24 Ca 0.00 2.92 0.00 0.00 -1.93 0.00 0.00 57.85 58.84 2kta n ARG 24 Cb 0.18 -5.01 0.00 0.00 -1.16 0.00 0.00 32.46 26.47 2kta n ARG 24 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2kta n ARG 25 N 1.04 0.00 -3.86 5.56 0.63 -1.26 -4.88 116.66 113.90 2kta n ARG 25 Ca -0.16 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.65 2kta n ARG 25 Cb 0.25 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.02 2kta n ARG 25 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 2kta s PHE 26 N 0.00 -0.05 -0.11 -0.14 -0.12 -1.26 -4.78 117.98 111.52 2kta s PHE 26 Ca 0.00 0.12 0.16 0.00 -0.05 0.00 0.00 56.93 57.16 2kta s PHE 26 Cb 0.00 0.02 -0.16 0.00 -0.63 0.00 0.00 43.02 42.25 2kta s PHE 26 CO 0.00 -0.02 0.78 -0.35 -0.05 0.00 0.00 175.22 175.57 2kta n PRO 27 N 3.05 0.62 -2.69 1.99 -0.05 -1.26 -4.82 135.00 131.85 2kta n PRO 27 Ca -0.12 0.23 -0.03 0.00 -0.05 0.00 0.00 63.50 63.53 2kta n PRO 27 Cb 0.60 -1.80 0.03 0.00 -0.05 0.00 0.00 33.50 32.28 2kta n PRO 27 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 175.50 175.66 2kta s LYS 28 N -2.87 0.26 0.31 0.54 2.20 -1.26 -5.14 119.74 113.78 2kta s LYS 28 Ca -0.03 -0.24 -0.27 0.00 -0.36 0.00 0.00 55.97 55.06 2kta s LYS 28 Cb 0.09 -0.01 -0.09 0.00 -1.51 0.00 0.00 37.83 36.30 2kta s LYS 28 CO 0.81 -0.32 0.99 -1.54 -0.36 0.00 0.00 175.35 174.93 2kta s SER 29 N 1.09 7.31 0.00 1.43 1.04 -1.26 -4.94 113.70 118.37 2kta s SER 29 Ca 0.23 1.98 0.00 0.00 0.48 0.00 0.00 55.95 58.63 2kta s SER 29 Cb 0.11 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.63 2kta s SER 29 CO -0.11 -0.09 0.70 0.35 0.98 0.00 0.00 173.24 175.06 2kta n THR 30 N 0.80 0.45 -3.19 2.02 -2.24 -1.26 -4.16 114.28 106.70 2kta n THR 30 Ca 0.01 -0.67 -0.43 0.00 -2.27 0.00 0.00 64.05 60.69 2kta n THR 30 Cb 0.48 0.83 -0.07 0.00 -2.10 0.00 0.00 70.33 69.47 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 -0.45 3.21 4.51 -0.78 2.12 -1.26 -4.72 118.70 121.33 2kta s GLU 31 Ca 0.00 -0.52 0.00 0.00 0.36 0.00 0.00 54.97 54.81 2kta s GLU 31 Cb 0.00 -3.96 0.00 0.00 0.26 0.00 0.00 34.13 30.43 2kta s GLU 31 CO 0.00 -0.95 0.00 0.41 -0.54 0.00 0.00 175.26 174.18 2kta n GLY 32 N 5.06 2.61 0.28 -1.50 0.00 -1.26 -2.50 105.19 107.88 2kta n GLY 32 Ca -0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.66 2kta n GLY 32 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2kta h ASN 33 N 6.44 0.59 0.24 1.61 4.21 -2.00 -2.41 115.58 124.25 2kta h ASN 33 Ca 0.00 -0.11 -0.04 0.00 1.21 0.00 0.00 56.30 57.36 2kta h ASN 33 Cb 0.00 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.04 2kta h ASN 33 CO 0.00 0.64 -0.18 -0.07 -1.29 0.00 0.00 177.43 176.53 2kta h LEU 34 N 0.60 0.00 -0.63 1.61 -0.00 -1.89 0.97 115.31 115.98 2kta h LEU 34 Ca 0.13 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 58.08 2kta h LEU 34 Cb 0.33 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.93 2kta h LEU 34 CO 0.01 0.18 0.31 1.23 -0.00 0.00 0.00 178.44 180.17 2kta h GLY 35 N 0.67 0.91 1.69 0.83 0.00 -1.12 -2.07 103.07 103.98 2kta h GLY 35 Ca -0.00 -0.20 -0.19 0.00 0.00 0.00 0.00 47.33 46.94 2kta h GLY 35 CO 0.02 0.09 -1.03 -1.33 0.00 0.00 0.00 176.54 174.29 2kta h GLY 36 N 0.57 0.00 0.79 4.60 0.00 -1.41 -3.33 103.07 104.28 2kta h GLY 36 Ca 0.29 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.64 2kta h GLY 36 CO -0.22 0.00 -0.05 -0.25 0.00 0.00 0.00 176.54 176.02 2kta h TRP 37 N 0.00 -0.13 -0.91 5.60 7.01 -0.43 -0.97 115.95 126.12 2kta h TRP 37 Ca -0.07 0.01 0.01 0.00 2.11 0.00 0.00 58.89 60.95 2kta h TRP 37 Cb 1.68 0.07 -0.05 0.00 -2.10 0.00 0.00 29.16 28.76 2kta h TRP 37 CO 0.00 -0.08 0.60 0.00 -2.79 0.00 0.00 178.44 176.17 2kta h HIS 39 N 1.23 0.47 0.02 0.00 3.86 -1.55 -0.08 115.15 119.10 2kta h HIS 39 Ca 0.34 0.01 -0.27 0.00 -1.16 0.00 0.00 60.37 59.29 2kta h HIS 39 Cb -0.13 -0.15 0.02 0.00 1.06 0.00 0.00 27.41 28.21 2kta h HIS 39 CO -0.01 0.27 -1.06 1.15 0.86 0.00 0.00 177.93 179.15 2kta h THR 40 N 0.51 1.28 0.00 2.45 2.02 -0.72 -3.28 112.91 115.17 2kta h THR 40 Ca 0.17 -2.27 -0.05 0.00 0.77 0.00 0.00 66.41 65.03 2kta h THR 40 Cb 0.01 2.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.84 2kta h THR 40 CO -0.08 0.70 -0.24 1.56 0.37 0.00 0.00 175.52 177.83 2kta h GLN 41 N 0.36 0.00 -0.21 6.66 7.50 -0.68 -2.93 115.11 125.82 2kta h GLN 41 Ca -0.14 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 58.94 2kta h GLN 41 Cb 1.71 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 29.23 2kta h GLN 41 CO 0.21 0.24 -0.17 -0.09 -1.50 0.00 0.00 178.83 177.51 2kta h ARG 42 N 0.00 0.36 0.16 1.46 1.12 -1.06 -2.47 114.38 113.94 2kta h ARG 42 Ca -0.00 -0.10 0.00 0.00 -1.11 0.00 0.00 59.98 58.77 2kta h ARG 42 Cb 1.12 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 31.03 2kta h ARG 42 CO 0.03 0.53 -0.14 0.87 -3.11 0.00 0.00 179.97 178.15 2kta h LYS 43 N 0.33 -0.30 -0.43 0.20 1.57 -1.58 -0.06 116.57 116.30 2kta h LYS 43 Ca 0.06 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 2kta h LYS 43 Cb 0.50 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 2kta h LYS 43 CO 0.03 -0.20 0.29 0.52 -0.57 0.00 0.00 179.45 179.52 2kta h MET 44 N -0.31 0.41 -0.38 3.15 2.86 -1.59 0.40 114.93 119.48 2kta h MET 44 Ca -0.00 -0.02 -0.16 0.00 -2.06 0.00 0.00 59.70 57.45 2kta h MET 44 Cb 0.29 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 2kta h MET 44 CO -0.03 0.27 -0.41 -0.09 1.06 0.00 0.00 176.91 177.72 2kta h ARG 45 N 0.43 0.94 -0.03 1.72 1.12 -0.91 0.94 114.38 118.57 2kta h ARG 45 Ca 0.18 -0.50 -0.03 0.00 -1.11 0.00 0.00 59.98 58.52 2kta h ARG 45 Cb 0.19 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.17 2kta h ARG 45 CO -0.04 1.16 -0.10 -0.22 -3.11 0.00 0.00 179.97 177.66 2kta h LYS 46 N 0.76 0.13 0.00 0.20 1.63 0.04 -3.18 116.57 116.15 2kta h LYS 46 Ca 0.06 -0.09 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 2kta h LYS 46 Cb 1.00 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.65 2kta h LYS 46 CO 0.10 0.70 -0.04 1.96 -3.45 0.00 0.00 179.45 178.72 2kta h GLN 47 N -0.43 0.00 -0.56 1.90 4.20 -0.27 -3.46 115.11 116.50 2kta h GLN 47 Ca -0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 2kta h GLN 47 Cb 0.71 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 2kta h GLN 47 CO 0.02 0.04 -0.10 0.41 -0.67 0.00 0.00 178.83 178.53 2kta n GLY 48 N -0.77 0.21 0.34 3.46 0.00 0.07 -4.92 105.19 103.59 2kta n GLY 48 Ca -0.02 -0.72 0.04 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.39 0.95 -1.76 1.61 2.85 0.10 -5.00 118.16 115.51 2kta n LYS 49 Ca -0.05 -1.24 -0.41 0.00 -1.05 0.00 0.00 58.31 55.56 2kta n LYS 49 Cb 0.53 -1.16 -0.01 0.00 -0.65 0.00 0.00 35.03 33.75 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 0.35 4.62 -4.84 -5.58 4.77 -0.81 -4.99 117.00 110.52 2kta n LEU 50 Ca 0.05 1.20 -0.33 0.00 -0.03 0.00 0.00 56.01 56.90 2kta n LEU 50 Cb 0.24 -1.61 -0.06 0.00 -2.33 0.00 0.00 43.42 39.66 2kta n LEU 50 CO 0.05 0.15 0.46 -2.16 -1.33 0.00 0.00 177.39 174.56 2kta s PRO 51 N -1.53 4.07 0.36 3.23 0.04 -1.26 -4.97 135.00 134.94 2kta s PRO 51 Ca 0.57 0.78 0.17 0.00 0.04 0.00 0.00 61.00 62.56 2kta s PRO 51 Cb -0.48 -2.43 0.67 0.00 0.04 0.00 0.00 34.50 32.30 2kta s PRO 51 CO 0.58 0.14 1.75 -0.91 0.04 0.00 0.00 177.00 178.60 2kta h ASN 52 N 2.30 0.00 0.17 6.66 4.21 -1.98 -1.96 115.58 124.98 2kta h ASN 52 Ca -0.48 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.02 2kta h ASN 52 Cb 1.18 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.38 2kta h ASN 52 CO 0.65 0.41 -0.08 0.44 -1.29 0.00 0.00 177.43 177.55 2kta h ASP 53 N 0.00 -0.19 -0.62 5.81 5.19 -1.99 0.22 116.42 124.84 2kta h ASP 53 Ca -0.00 -0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.33 2kta h ASP 53 Cb 0.86 0.05 -0.03 0.00 0.18 0.00 0.00 39.33 40.39 2kta h ASP 53 CO 0.05 -0.11 0.19 -0.09 -3.12 0.00 0.00 179.24 176.16 2kta h ARG 54 N -0.25 1.01 -0.37 3.56 1.12 -1.93 0.15 114.38 117.67 2kta h ARG 54 Ca -0.02 -0.21 -0.01 0.00 -1.11 0.00 0.00 59.98 58.63 2kta h ARG 54 Cb 0.20 -0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 29.99 2kta h ARG 54 CO 0.04 0.87 0.20 -0.09 -3.11 0.00 0.00 179.97 177.88 2kta h ARG 55 N 0.97 0.51 -0.35 0.20 1.12 -1.13 -2.38 114.38 113.32 2kta h ARG 55 Ca 0.21 -0.06 -0.11 0.00 -1.11 0.00 0.00 59.98 58.91 2kta h ARG 55 Cb 0.30 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.15 2kta h ARG 55 CO -0.01 0.43 -0.21 1.25 -3.11 0.00 0.00 179.97 178.32 2kta h LEU 56 N 0.47 0.80 -1.06 3.80 5.85 -0.12 -0.41 115.31 124.63 2kta h LEU 56 Ca 0.13 -0.42 0.04 0.00 0.84 0.00 0.00 57.88 58.47 2kta h LEU 56 Cb 0.06 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.82 2kta h LEU 56 CO -0.02 1.04 0.63 -0.07 -0.34 0.00 0.00 178.44 179.68 2kta h LEU 57 N 0.55 1.03 -0.20 2.25 4.07 -0.94 0.90 115.31 122.97 2kta h LEU 57 Ca 0.07 -0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.90 2kta h LEU 57 Cb 0.76 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.27 2kta h LEU 57 CO 0.06 0.70 -0.36 -0.07 -1.08 0.00 0.00 178.44 177.69 2kta h LEU 58 N 1.19 0.66 -2.05 1.67 -0.00 -1.27 -2.99 115.31 112.53 2kta h LEU 58 Ca 0.39 -0.54 -0.01 0.00 -0.00 0.00 0.00 57.88 57.73 2kta h LEU 58 Cb 0.05 -0.19 -0.00 0.00 -0.00 0.00 0.00 40.66 40.52 2kta h LEU 58 CO -0.13 1.07 -0.04 -0.78 -0.00 0.00 0.00 178.44 178.57 2kta h ASP 59 N 0.28 0.00 0.72 -0.43 3.58 -0.41 -1.09 116.42 119.07 2kta h ASP 59 Ca 0.01 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.31 2kta h ASP 59 Cb 0.95 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.98 2kta h ASP 59 CO 0.08 0.04 -0.73 0.11 -2.88 0.00 0.00 179.24 175.86 2kta h LYS 60 N 0.00 0.01 -0.05 0.28 6.56 -0.73 -2.98 116.57 119.66 2kta h LYS 60 Ca -0.00 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 2kta h LYS 60 Cb 0.08 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.74 2kta h LYS 60 CO 0.01 0.74 0.00 0.44 -2.06 0.00 0.00 179.45 178.57 2kta n ILE 61 N -3.67 0.06 -0.06 1.86 -5.35 -0.65 -4.89 119.36 106.66 2kta n ILE 61 Ca -0.01 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 2kta n ILE 61 Cb 0.71 0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.87 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 1.11 0.97 3.58 3.28 0.00 -1.10 -4.84 105.19 108.18 2kta n GLY 62 Ca 0.19 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 1.59 0.42 1.61 5.36 -0.51 -4.77 117.98 119.67 2kta s PHE 63 Ca 0.00 0.81 -0.23 0.00 -0.96 0.00 0.00 56.93 56.55 2kta s PHE 63 Cb 0.00 -4.01 -0.09 0.00 -0.34 0.00 0.00 43.02 38.58 2kta s PHE 63 CO 0.00 -2.81 1.06 0.54 -1.46 0.00 0.00 175.22 172.55 2kta s VAL 64 N 8.49 3.68 -0.78 3.12 0.11 -1.26 -4.50 120.40 129.27 2kta s VAL 64 Ca 0.81 1.24 0.15 0.00 -2.93 0.00 0.00 61.98 61.25 2kta s VAL 64 Cb -0.20 -3.62 0.50 0.00 -1.53 0.00 0.00 36.38 31.53 2kta s VAL 64 CO 0.29 -0.04 1.42 0.79 -3.33 0.00 0.00 175.10 174.22 2kta n TRP 65 N -0.26 0.90 -4.96 1.54 7.02 -1.26 -4.88 117.44 115.54 2kta n TRP 65 Ca 0.06 -0.65 0.00 0.00 -1.02 0.00 0.00 57.50 55.89 2kta n TRP 65 Cb 0.50 -0.17 0.00 0.00 -2.42 0.00 0.00 31.31 29.22 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 -4.73 113.62 110.36 2kta n SER 66 Ca 0.19 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.81 2kta n SER 66 Cb 0.70 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 64.06 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 0.00 0.00 -2.77 -3.43 4.32 -1.26 -4.74 117.00 109.11 2kta n LEU 67 Ca 0.00 -1.87 -0.01 0.00 -0.02 0.00 0.00 56.01 54.11 2kta n LEU 67 Cb 0.00 -0.81 0.00 0.00 -1.62 0.00 0.00 43.42 40.99 2kta n LEU 67 CO 0.00 -1.19 0.24 -0.62 -1.22 0.00 0.00 177.39 174.60 2kta n GLU 68 N -3.28 -1.30 -0.40 3.23 -0.58 -1.26 -4.92 120.64 112.13 2kta n GLU 68 Ca 0.17 1.45 0.07 0.00 -0.42 0.00 0.00 57.16 58.43 2kta n GLU 68 Cb 0.59 -5.08 0.24 0.00 -0.57 0.00 0.00 31.44 26.63 2kta n GLU 68 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2kta n HIS 69 N -1.37 0.98 -2.01 -0.32 8.25 -1.26 -4.95 115.22 114.55 2kta n HIS 69 Ca 0.02 -0.40 -0.33 0.00 -0.26 0.00 0.00 57.72 56.75 2kta n HIS 69 Cb 0.48 -0.16 0.02 0.00 1.12 0.00 0.00 29.99 31.44 2kta n HIS 69 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kta s HIS 70 N -1.69 2.93 -0.18 4.41 3.76 -1.26 -4.93 115.29 118.33 2kta s HIS 70 Ca 0.35 1.52 -0.28 0.00 -0.15 0.00 0.00 55.06 56.49 2kta s HIS 70 Cb 0.22 -3.03 -0.05 0.00 1.11 0.00 0.00 32.58 30.82 2kta s HIS 70 CO 0.18 -1.20 2.11 -1.01 -0.85 0.00 0.00 174.74 173.96 2kta s HIS 71 N -2.43 1.29 -0.07 1.40 3.76 -1.26 -4.96 115.29 113.02 2kta s HIS 71 Ca 0.64 0.37 0.01 0.00 -0.15 0.00 0.00 55.06 55.93 2kta s HIS 71 Cb -0.17 -4.00 0.02 0.00 1.11 0.00 0.00 32.58 29.54 2kta s HIS 71 CO 0.37 -4.19 -0.07 -1.01 -0.85 0.00 0.00 174.74 168.99 2kta s HIS 72 N 7.37 1.17 0.00 1.40 4.02 -1.26 -4.78 115.29 123.20 2kta s HIS 72 Ca 0.95 -0.45 0.00 0.00 1.02 0.00 0.00 55.06 56.58 2kta s HIS 72 Cb -0.33 -0.96 0.00 0.00 -1.02 0.00 0.00 32.58 30.27 2kta s HIS 72 CO 0.36 -0.31 0.00 0.72 1.02 0.00 0.00 174.74 176.52 2kta n HIS 73 N 4.30 0.00 -1.94 1.40 8.25 -1.26 -5.11 115.22 120.87 2kta n HIS 73 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 2kta n HIS 73 Cb 0.51 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.42 2kta n HIS 73 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56