#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 7.16 -0.55 6.12 -0.87 -1.26 -4.96 114.94 120.58 2kta s ASN 2 Ca 0.00 2.18 -0.28 0.00 -1.57 0.00 0.00 52.86 53.19 2kta s ASN 2 Cb 0.00 -2.61 0.01 0.00 -0.02 0.00 0.00 41.25 38.64 2kta s ASN 2 CO 0.00 -0.31 1.41 -1.10 -2.57 0.00 0.00 177.10 174.53 2kta s GLN 3 N -0.33 3.32 -0.52 -0.60 -0.21 -1.26 -4.96 119.66 115.10 2kta s GLN 3 Ca 0.51 0.48 -0.22 0.00 0.02 0.00 0.00 55.36 56.15 2kta s GLN 3 Cb -0.31 -4.12 0.04 0.00 1.00 0.00 0.00 33.01 29.63 2kta s GLN 3 CO 0.36 -1.91 0.80 1.21 -2.12 0.00 0.00 175.29 173.63 2kta s ASN 4 N 4.36 6.31 0.96 5.90 2.47 -1.26 -4.96 114.94 128.71 2kta s ASN 4 Ca 0.53 -0.52 0.00 0.00 0.42 0.00 0.00 52.86 53.29 2kta s ASN 4 Cb -0.11 -2.38 0.00 0.00 -1.45 0.00 0.00 41.25 37.32 2kta s ASN 4 CO 0.25 -1.06 0.00 0.18 -3.72 0.00 0.00 177.10 172.76 2kta n LEU 5 N 6.89 0.00 -4.05 3.21 4.32 -1.26 -4.93 117.00 121.17 2kta n LEU 5 Ca -0.01 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.88 2kta n LEU 5 Cb 0.47 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.19 2kta n LEU 5 CO 0.59 -0.24 -0.13 0.00 -1.22 0.00 0.00 177.39 176.39 2kta s GLN 6 N 0.00 1.10 0.00 3.23 -2.07 -1.26 -4.95 119.66 115.71 2kta s GLN 6 Ca 0.00 -1.32 0.00 0.00 -1.82 0.00 0.00 55.36 52.22 2kta s GLN 6 Cb 0.00 0.32 0.00 0.00 -1.09 0.00 0.00 33.01 32.24 2kta s GLN 6 CO 0.00 -0.37 0.00 0.41 -1.32 0.00 0.00 175.29 174.01 2kta n GLY 7 N -0.19 0.87 0.31 2.60 0.00 -1.26 -4.97 105.19 102.55 2kta n GLY 7 Ca -0.05 -0.25 0.19 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -0.37 1.61 4.81 -1.94 -2.66 114.58 116.03 2kta h GLU 8 Ca 0.00 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2kta h GLU 8 Cb 0.39 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.72 2kta h GLU 8 CO 0.00 0.02 0.11 2.35 -0.73 0.00 0.00 179.01 180.76 2kta h TRP 9 N 0.00 0.20 -0.75 0.92 -0.00 -1.98 0.33 115.95 114.66 2kta h TRP 9 Ca -0.00 0.02 0.09 0.00 -0.00 0.00 0.00 58.89 59.00 2kta h TRP 9 Cb 0.18 -0.03 -0.07 0.00 -0.00 0.00 0.00 29.16 29.24 2kta h TRP 9 CO 0.00 0.07 0.41 1.98 -0.00 0.00 0.00 178.44 180.90 2kta h MET 10 N 0.25 0.69 -0.34 2.65 4.05 -1.88 0.24 114.93 120.59 2kta h MET 10 Ca 0.17 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.49 2kta h MET 10 Cb 0.17 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 2kta h MET 10 CO -0.19 0.45 -0.03 -0.22 0.23 0.00 0.00 176.91 177.16 2kta h LYS 11 N 0.71 0.62 -0.20 0.39 3.11 -1.32 -2.22 116.57 117.67 2kta h LYS 11 Ca 0.36 -0.21 -0.07 0.00 -2.81 0.00 0.00 60.65 57.92 2kta h LYS 11 Cb 0.32 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.49 2kta h LYS 11 CO -0.24 0.76 -0.18 -0.91 -2.81 0.00 0.00 179.45 176.07 2kta h ASN 12 N 0.42 0.33 0.28 4.20 2.35 0.29 -2.62 115.58 120.83 2kta h ASN 12 Ca 0.09 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2kta h ASN 12 Cb 0.49 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.78 2kta h ASN 12 CO 0.02 0.53 -0.14 0.22 -1.65 0.00 0.00 177.43 176.41 2kta h TYR 13 N 0.31 -0.35 -0.18 1.19 3.20 -0.24 -2.61 116.97 118.28 2kta h TYR 13 Ca 0.06 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 2kta h TYR 13 Cb 0.50 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 2kta h TYR 13 CO 0.01 -0.09 -0.05 1.05 -1.64 0.00 0.00 178.16 177.44 2kta h GLU 14 N -0.58 0.27 -0.59 1.82 4.11 -1.33 0.17 114.58 118.45 2kta h GLU 14 Ca -0.04 -0.05 -0.04 0.00 0.07 0.00 0.00 59.36 59.30 2kta h GLU 14 Cb 0.42 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2kta h GLU 14 CO 0.06 0.34 0.21 0.93 0.07 0.00 0.00 179.01 180.62 2kta h GLU 15 N 0.27 0.90 0.14 1.06 5.08 -1.41 -2.79 114.58 117.83 2kta h GLU 15 Ca 0.06 -0.18 -0.28 0.00 -1.00 0.00 0.00 59.36 57.96 2kta h GLU 15 Cb 0.26 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.39 2kta h GLU 15 CO 0.01 0.79 -1.26 1.25 -1.00 0.00 0.00 179.01 178.80 2kta h LEU 16 N 0.83 0.54 -0.67 1.33 6.46 -0.95 -1.55 115.31 121.29 2kta h LEU 16 Ca 0.19 -0.56 0.10 0.00 -0.12 0.00 0.00 57.88 57.50 2kta h LEU 16 Cb 0.25 -0.17 -0.08 0.00 -0.73 0.00 0.00 40.66 39.93 2kta h LEU 16 CO -0.01 1.42 0.29 0.50 -0.62 0.00 0.00 178.44 180.02 2kta h LYS 17 N 0.11 0.48 0.07 1.25 3.64 -0.65 0.15 116.57 121.62 2kta h LYS 17 Ca -0.16 -0.03 -0.26 0.00 -1.27 0.00 0.00 60.65 58.93 2kta h LYS 17 Cb 1.97 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.67 2kta h LYS 17 CO 0.22 0.32 -1.29 0.77 -2.27 0.00 0.00 179.45 177.19 2kta h SER 18 N 0.49 0.23 -0.19 4.20 0.02 -1.52 -3.20 113.55 113.58 2kta h SER 18 Ca 0.34 -0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 2kta h SER 18 Cb 0.42 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 2kta h SER 18 CO -0.31 1.22 0.04 0.15 -1.14 0.00 0.00 176.83 176.79 2kta h PHE 19 N 0.04 0.33 -0.25 3.45 3.57 -0.38 -0.70 116.94 123.00 2kta h PHE 19 Ca -0.14 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.25 2kta h PHE 19 Cb 1.92 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 40.55 2kta h PHE 19 CO 0.04 0.45 -0.15 -0.24 -2.23 0.00 0.00 178.31 176.17 2kta h VAL 20 N 0.12 1.23 0.00 1.41 3.04 -0.88 0.45 116.25 121.62 2kta h VAL 20 Ca 0.06 -1.01 -0.06 0.00 -1.01 0.00 0.00 66.70 64.68 2kta h VAL 20 Cb 0.29 1.21 -0.01 0.00 -2.01 0.00 0.00 31.29 30.76 2kta h VAL 20 CO 0.00 0.32 -0.28 -0.09 -1.01 0.00 0.00 177.57 176.51 2kta h ARG 21 N 0.39 0.00 0.00 4.17 1.12 -1.47 0.53 114.38 119.12 2kta h ARG 21 Ca 0.07 0.00 -0.12 0.00 -1.11 0.00 0.00 59.98 58.82 2kta h ARG 21 Cb 0.50 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.44 2kta h ARG 21 CO 0.03 0.28 -1.06 1.17 -3.11 0.00 0.00 179.97 177.28 2kta n LYS 22 N -3.52 0.51 0.06 0.20 4.81 -0.30 -4.56 118.16 115.37 2kta n LYS 22 Ca -0.00 0.45 0.12 0.00 -0.87 0.00 0.00 58.31 58.00 2kta n LYS 22 Cb 0.44 -1.63 0.09 0.00 0.02 0.00 0.00 35.03 33.94 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 -4.49 0.55 -2.78 5.64 4.02 0.15 -5.02 117.16 115.23 2kta n TYR 23 Ca -0.21 0.16 -0.02 0.00 -0.01 0.00 0.00 57.90 57.82 2kta n TYR 23 Cb 0.50 -0.65 0.00 0.00 -0.02 0.00 0.00 39.34 39.17 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 -2.19 -3.13 -0.95 -0.72 5.12 0.18 -4.88 116.66 110.09 2kta n ARG 24 Ca 0.02 2.56 0.12 0.00 -1.93 0.00 0.00 57.85 58.62 2kta n ARG 24 Cb 0.46 -5.10 -0.05 0.00 -1.16 0.00 0.00 32.46 26.61 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 0.60 -2.09 -2.72 5.56 0.63 -1.24 -4.84 116.66 112.56 2kta n ARG 25 Ca 0.02 1.61 -0.37 0.00 -0.92 0.00 0.00 57.85 58.18 2kta n ARG 25 Cb 0.11 -2.48 -0.06 0.00 0.45 0.00 0.00 32.46 30.48 2kta n ARG 25 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2kta s PHE 26 N -3.11 3.57 0.15 -0.14 0.08 -1.26 -4.88 117.98 112.40 2kta s PHE 26 Ca 0.00 1.74 -0.19 0.00 0.12 0.00 0.00 56.93 58.60 2kta s PHE 26 Cb 0.00 -2.98 0.04 0.00 -0.57 0.00 0.00 43.02 39.52 2kta s PHE 26 CO 0.00 -0.02 1.67 -1.35 -0.10 0.00 0.00 175.22 175.42 2kta h PRO 27 N 2.97 -0.07 0.00 0.24 0.11 -1.93 -3.46 132.00 129.86 2kta h PRO 27 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kta h PRO 27 Cb 1.20 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2kta h PRO 27 CO 0.64 -0.05 0.00 0.36 -0.21 0.00 0.00 178.00 178.74 2kta n LYS 28 N -5.30 0.00 -0.48 1.05 2.85 -1.26 -5.08 118.16 109.94 2kta n LYS 28 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2kta n LYS 28 Cb 0.21 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.59 2kta n LYS 28 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2kta n SER 29 N -1.89 0.00 -1.20 -5.58 3.41 -1.26 -5.00 113.62 102.09 2kta n SER 29 Ca 0.00 -0.25 -0.16 0.00 -0.26 0.00 0.00 58.87 58.21 2kta n SER 29 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 2kta n SER 29 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2kta n THR 30 N 0.00 -0.01 -1.33 6.66 -1.04 -1.26 -5.01 114.28 112.29 2kta n THR 30 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 2kta n THR 30 Cb 0.00 -1.62 0.06 0.00 -1.82 0.00 0.00 70.33 66.95 2kta n THR 30 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2kta n GLU 31 N -2.55 -0.35 0.00 -2.82 4.71 -1.26 -5.01 120.64 113.36 2kta n GLU 31 Ca -0.16 -0.63 0.00 0.00 -0.01 0.00 0.00 57.16 56.37 2kta n GLU 31 Cb 0.51 -0.40 0.00 0.00 -1.01 0.00 0.00 31.44 30.54 2kta n GLU 31 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2kta n GLY 32 N 2.41 0.23 0.25 0.62 0.00 -1.26 -4.27 105.19 103.16 2kta n GLY 32 Ca 0.05 -0.49 0.08 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 0.25 1.61 -1.07 -1.99 0.60 115.58 114.98 2kta h ASN 33 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.30 2kta h ASN 33 Cb 0.00 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.24 2kta h ASN 33 CO 0.00 0.05 -0.31 -0.07 0.07 0.00 0.00 177.43 177.17 2kta h LEU 34 N 0.00 0.10 -0.85 6.14 3.38 -1.97 0.26 115.31 122.37 2kta h LEU 34 Ca -0.00 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 2kta h LEU 34 Cb 0.08 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2kta h LEU 34 CO 0.01 0.41 -0.13 1.23 0.09 0.00 0.00 178.44 180.04 2kta h GLY 35 N 1.00 0.77 1.31 0.83 0.00 -1.07 0.60 103.07 106.52 2kta h GLY 35 Ca 0.01 -0.59 -0.17 0.00 0.00 0.00 0.00 47.33 46.58 2kta h GLY 35 CO 0.04 0.54 -0.54 -1.33 0.00 0.00 0.00 176.54 175.25 2kta h GLY 36 N 0.97 0.79 0.63 4.60 0.00 -1.01 -1.20 103.07 107.86 2kta h GLY 36 Ca 0.11 -0.92 0.04 0.00 0.00 0.00 0.00 47.33 46.56 2kta h GLY 36 CO 0.04 0.83 0.01 -0.25 0.00 0.00 0.00 176.54 177.16 2kta h TRP 37 N 0.56 -0.00 0.06 5.60 7.01 -0.18 0.29 115.95 129.29 2kta h TRP 37 Ca 0.01 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.04 2kta h TRP 37 Cb 1.12 0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 28.21 2kta h TRP 37 CO 0.06 -0.03 -0.08 0.00 -2.79 0.00 0.00 178.44 175.60 2kta h HIS 39 N -0.16 0.32 -0.66 0.00 3.86 -0.90 -2.19 115.15 115.41 2kta h HIS 39 Ca 0.01 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 2kta h HIS 39 Cb 0.17 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.53 2kta h HIS 39 CO -0.12 0.14 0.35 1.15 0.86 0.00 0.00 177.93 180.31 2kta h THR 40 N 0.36 1.21 0.00 2.45 2.02 -0.19 -2.80 112.91 115.96 2kta h THR 40 Ca 0.20 -0.56 -0.04 0.00 0.77 0.00 0.00 66.41 66.78 2kta h THR 40 Cb 0.16 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 2kta h THR 40 CO -0.18 0.24 -0.17 -0.61 0.37 0.00 0.00 175.52 175.17 2kta h GLN 41 N 0.91 0.00 -0.74 6.66 5.75 -0.29 -0.98 115.11 126.41 2kta h GLN 41 Ca 0.23 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.77 2kta h GLN 41 Cb 0.07 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.57 2kta h GLN 41 CO -0.03 0.17 0.49 -0.09 -2.65 0.00 0.00 178.83 176.71 2kta h ARG 42 N 0.00 0.87 0.10 1.69 1.12 -1.14 -2.17 114.38 114.85 2kta h ARG 42 Ca -0.00 -0.05 -0.29 0.00 -1.11 0.00 0.00 59.98 58.52 2kta h ARG 42 Cb 0.37 -0.20 -0.01 0.00 -0.01 0.00 0.00 29.97 30.12 2kta h ARG 42 CO 0.02 0.58 -1.48 0.87 -3.11 0.00 0.00 179.97 176.85 2kta h LYS 43 N 0.90 0.21 -0.95 0.20 6.56 -1.32 -3.34 116.57 118.83 2kta h LYS 43 Ca 0.30 -0.36 0.11 0.00 -1.06 0.00 0.00 60.65 59.64 2kta h LYS 43 Cb 0.06 0.13 -0.07 0.00 -0.57 0.00 0.00 32.23 31.78 2kta h LYS 43 CO -0.09 1.07 0.61 0.52 -2.06 0.00 0.00 179.45 179.50 2kta h MET 44 N 0.06 0.90 -0.10 3.15 2.86 -0.68 0.42 114.93 121.53 2kta h MET 44 Ca -0.22 -0.05 -0.16 0.00 -2.06 0.00 0.00 59.70 57.20 2kta h MET 44 Cb 1.99 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 33.44 2kta h MET 44 CO 0.16 0.60 -0.64 0.07 1.06 0.00 0.00 176.91 178.15 2kta h ARG 45 N 0.93 0.38 -0.00 1.72 0.11 -1.59 0.92 114.38 116.85 2kta h ARG 45 Ca 0.46 -0.27 -0.17 0.00 0.10 0.00 0.00 59.98 60.09 2kta h ARG 45 Cb 0.48 0.05 -0.02 0.00 1.11 0.00 0.00 29.97 31.58 2kta h ARG 45 CO -0.22 0.89 -0.80 -0.22 0.10 0.00 0.00 179.97 179.72 2kta h LYS 46 N 0.28 0.03 0.00 0.08 3.11 -1.25 -2.42 116.57 116.40 2kta h LYS 46 Ca -0.01 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 2kta h LYS 46 Cb 1.18 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.42 2kta h LYS 46 CO 0.11 0.81 0.00 1.96 -2.81 0.00 0.00 179.45 179.52 2kta h GLN 47 N 0.02 0.00 -0.54 1.90 4.20 -0.07 -3.47 115.11 117.14 2kta h GLN 47 Ca -0.01 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.57 2kta h GLN 47 Cb 1.41 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.16 2kta h GLN 47 CO 0.11 0.00 -0.13 0.41 -0.67 0.00 0.00 178.83 178.55 2kta n GLY 48 N 0.89 0.52 0.36 3.46 0.00 0.09 -4.90 105.19 105.61 2kta n GLY 48 Ca 0.04 -0.72 0.06 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.27 1.54 -2.00 1.61 2.85 0.07 -4.98 118.16 114.97 2kta n LYS 49 Ca -0.07 -0.89 -0.41 0.00 -1.05 0.00 0.00 58.31 55.90 2kta n LYS 49 Cb 0.36 -1.19 -0.02 0.00 -0.65 0.00 0.00 35.03 33.53 2kta n LYS 49 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2kta s LEU 50 N -1.53 4.39 -0.12 -5.58 0.20 -1.06 -4.97 118.68 110.01 2kta s LEU 50 Ca 0.12 2.80 -0.30 0.00 0.69 0.00 0.00 54.13 57.44 2kta s LEU 50 Cb 0.10 -3.65 -0.01 0.00 -0.43 0.00 0.00 46.19 42.20 2kta s LEU 50 CO 0.26 -0.67 1.08 -2.84 -0.29 0.00 0.00 176.35 173.89 2kta s PRO 51 N -1.62 4.37 0.47 0.98 0.02 -1.26 -4.92 135.00 133.04 2kta s PRO 51 Ca 0.52 1.47 0.13 0.00 0.02 0.00 0.00 61.00 63.14 2kta s PRO 51 Cb -0.42 -3.57 1.08 0.00 0.02 0.00 0.00 34.50 31.60 2kta s PRO 51 CO 0.54 -0.42 2.08 -0.91 -0.33 0.00 0.00 177.00 177.96 2kta h ASN 52 N 7.31 0.13 0.09 2.53 4.21 -1.98 0.12 115.58 127.99 2kta h ASN 52 Ca -0.30 -0.01 0.01 0.00 1.21 0.00 0.00 56.30 57.22 2kta h ASN 52 Cb 1.13 -0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 38.28 2kta h ASN 52 CO 0.89 0.15 -0.14 0.44 -1.29 0.00 0.00 177.43 177.47 2kta h ASP 53 N 0.15 -0.39 0.20 5.81 5.19 -1.99 -0.04 116.42 125.34 2kta h ASP 53 Ca 0.04 0.05 -0.09 0.00 -0.62 0.00 0.00 57.03 56.41 2kta h ASP 53 Cb 0.08 0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 2kta h ASP 53 CO -0.00 -0.21 -0.33 -0.09 -3.12 0.00 0.00 179.24 175.49 2kta h ARG 54 N -0.29 0.20 -0.58 3.56 1.12 -1.71 0.21 114.38 116.89 2kta h ARG 54 Ca 0.02 -0.07 -0.00 0.00 -1.11 0.00 0.00 59.98 58.81 2kta h ARG 54 Cb 0.30 -0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.22 2kta h ARG 54 CO -0.07 0.51 0.35 -0.09 -3.11 0.00 0.00 179.97 177.55 2kta h ARG 55 N 0.17 0.79 -0.18 0.20 1.12 -0.39 0.34 114.38 116.43 2kta h ARG 55 Ca 0.02 -0.07 -0.17 0.00 -1.11 0.00 0.00 59.98 58.65 2kta h ARG 55 Cb 0.67 -0.16 0.00 0.00 -0.01 0.00 0.00 29.97 30.47 2kta h ARG 55 CO 0.05 0.57 -0.55 1.25 -3.11 0.00 0.00 179.97 178.18 2kta h LEU 56 N 0.78 0.79 -0.71 3.80 5.85 -0.33 -2.19 115.31 123.30 2kta h LEU 56 Ca 0.21 -0.59 0.04 0.00 0.84 0.00 0.00 57.88 58.38 2kta h LEU 56 Cb -0.02 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 2kta h LEU 56 CO -0.04 1.24 0.43 -0.07 -0.34 0.00 0.00 178.44 179.67 2kta h LEU 57 N 0.37 0.69 -0.38 2.25 3.38 -0.36 0.84 115.31 122.10 2kta h LEU 57 Ca -0.02 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2kta h LEU 57 Cb 1.17 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 2kta h LEU 57 CO 0.12 0.47 0.08 0.25 0.09 0.00 0.00 178.44 179.45 2kta h LEU 58 N 0.83 0.59 -0.98 1.67 5.85 -0.29 -0.79 115.31 122.18 2kta h LEU 58 Ca 0.29 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 2kta h LEU 58 Cb 0.08 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2kta h LEU 58 CO -0.13 0.68 0.23 -0.78 -0.34 0.00 0.00 178.44 178.10 2kta h ASP 59 N 0.48 0.89 -0.02 1.25 1.82 -1.03 -2.14 116.42 117.66 2kta h ASP 59 Ca 0.12 -0.14 -0.16 0.00 -0.39 0.00 0.00 57.03 56.47 2kta h ASP 59 Cb 0.33 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.10 2kta h ASP 59 CO 0.00 0.82 -0.51 0.50 -1.61 0.00 0.00 179.24 178.44 2kta h LYS 60 N 0.94 0.59 0.00 0.28 3.11 -0.43 -2.83 116.57 118.23 2kta h LYS 60 Ca 0.22 -0.36 0.00 0.00 -2.81 0.00 0.00 60.65 57.70 2kta h LYS 60 Cb 0.23 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.49 2kta h LYS 60 CO -0.01 0.97 0.00 0.44 -2.81 0.00 0.00 179.45 178.03 2kta n ILE 61 N -3.98 0.20 0.00 2.00 -5.35 -0.34 -4.82 119.36 107.07 2kta n ILE 61 Ca -0.03 0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 2kta n ILE 61 Cb 0.59 -0.69 0.00 0.00 -1.74 0.00 0.00 39.64 37.80 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 0.54 1.43 3.63 3.28 0.00 -1.07 -4.26 105.19 108.75 2kta n GLY 62 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 3.29 -0.16 1.61 2.19 -0.82 -4.38 117.98 117.71 2kta s PHE 63 Ca 0.00 0.94 -0.17 0.00 0.33 0.00 0.00 56.93 58.03 2kta s PHE 63 Cb 0.00 -2.96 -0.04 0.00 -1.31 0.00 0.00 43.02 38.71 2kta s PHE 63 CO 0.00 -0.38 0.42 0.54 1.83 0.00 0.00 175.22 177.63 2kta s VAL 64 N 2.68 5.21 0.09 3.12 0.11 -1.26 -4.40 120.40 125.94 2kta s VAL 64 Ca 0.30 0.80 0.02 0.00 -2.93 0.00 0.00 61.98 60.17 2kta s VAL 64 Cb -0.15 -3.75 -0.25 0.00 -1.53 0.00 0.00 36.38 30.70 2kta s VAL 64 CO 0.08 0.31 1.16 -0.50 -3.33 0.00 0.00 175.10 172.83 2kta h TRP 65 N 6.93 0.24 -3.13 1.54 4.06 -1.99 -3.45 115.95 120.15 2kta h TRP 65 Ca -0.39 -0.17 -0.54 0.00 2.06 0.00 0.00 58.89 59.85 2kta h TRP 65 Cb 1.17 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 29.32 2kta h TRP 65 CO 0.64 1.15 0.63 -1.12 -3.56 0.00 0.00 178.44 176.17 2kta s SER 66 N -6.88 7.03 -0.13 -3.49 0.01 -1.26 -5.00 113.70 103.98 2kta s SER 66 Ca -0.02 2.02 -0.21 0.00 1.31 0.00 0.00 55.95 59.05 2kta s SER 66 Cb 0.08 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.71 2kta s SER 66 CO 0.85 -0.53 0.61 -0.22 0.41 0.00 0.00 173.24 174.36 2kta s LEU 67 N 1.40 4.25 -1.02 2.44 2.96 -1.26 -3.95 118.68 123.49 2kta s LEU 67 Ca 0.59 0.96 0.00 0.00 -0.22 0.00 0.00 54.13 55.47 2kta s LEU 67 Cb -0.29 -2.91 0.00 0.00 0.50 0.00 0.00 46.19 43.49 2kta s LEU 67 CO 0.28 -0.14 0.00 1.21 -1.32 0.00 0.00 176.35 176.38 2kta n GLU 68 N 4.18 -1.38 -2.02 1.98 2.13 -1.26 -4.85 120.64 119.42 2kta n GLU 68 Ca -0.03 0.80 -0.39 0.00 0.66 0.00 0.00 57.16 58.20 2kta n GLU 68 Cb 0.51 -5.02 0.04 0.00 0.27 0.00 0.00 31.44 27.23 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 -2.36 3.01 -1.96 4.31 8.25 -1.25 -4.99 115.22 120.22 2kta n HIS 69 Ca -0.10 -2.41 -0.42 0.00 -0.26 0.00 0.00 57.72 54.53 2kta n HIS 69 Cb 0.50 -1.10 -0.03 0.00 1.12 0.00 0.00 29.99 30.48 2kta n HIS 69 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kta s HIS 70 N -4.05 1.85 0.07 4.41 5.04 -1.26 -4.91 115.29 116.44 2kta s HIS 70 Ca 0.51 0.23 -0.31 0.00 -1.54 0.00 0.00 55.06 53.95 2kta s HIS 70 Cb 0.42 -3.98 -0.08 0.00 0.04 0.00 0.00 32.58 28.98 2kta s HIS 70 CO -0.38 -3.85 1.65 -1.01 -2.34 0.00 0.00 174.74 168.80 2kta s HIS 71 N 4.78 2.43 -0.35 3.88 3.76 -1.26 -4.97 115.29 123.57 2kta s HIS 71 Ca 0.77 0.33 -0.01 0.00 -0.15 0.00 0.00 55.06 56.00 2kta s HIS 71 Cb -0.32 -3.96 0.13 0.00 1.11 0.00 0.00 32.58 29.53 2kta s HIS 71 CO 0.32 -3.86 0.19 -1.01 -0.85 0.00 0.00 174.74 169.53 2kta s HIS 72 N 2.61 0.84 -0.37 1.40 3.76 -1.26 -4.94 115.29 117.33 2kta s HIS 72 Ca 0.74 -1.56 0.27 0.00 -0.15 0.00 0.00 55.06 54.35 2kta s HIS 72 Cb -0.40 -1.08 0.81 0.00 1.11 0.00 0.00 32.58 33.02 2kta s HIS 72 CO 0.32 -0.83 1.76 1.25 -0.85 0.00 0.00 174.74 176.40 2kta h HIS 73 N 7.35 0.00 0.00 1.40 2.76 -2.04 -3.56 115.15 121.06 2kta h HIS 73 Ca -0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2kta h HIS 73 Cb 0.98 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.94 2kta h HIS 73 CO 0.41 0.00 0.00 -2.39 -1.30 0.00 0.00 177.93 174.65