#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 5.40 -0.25 7.83 0.01 -1.26 -5.06 114.94 121.61 2kta s ASN 2 Ca 0.00 -1.65 -0.29 0.00 -0.71 0.00 0.00 52.86 50.21 2kta s ASN 2 Cb 0.00 -1.89 -0.01 0.00 0.41 0.00 0.00 41.25 39.76 2kta s ASN 2 CO 0.00 -0.50 1.38 -1.10 -1.51 0.00 0.00 177.10 175.36 2kta s GLN 3 N 1.30 3.95 0.00 -0.60 -0.21 -1.26 -4.97 119.66 117.87 2kta s GLN 3 Ca 0.03 1.44 0.00 0.00 0.02 0.00 0.00 55.36 56.85 2kta s GLN 3 Cb -0.23 -3.90 0.00 0.00 1.00 0.00 0.00 33.01 29.89 2kta s GLN 3 CO -0.01 -1.08 0.00 0.27 -2.12 0.00 0.00 175.29 172.35 2kta n ASN 4 N 7.62 1.01 -4.32 5.90 0.23 -1.26 -5.04 115.26 119.41 2kta n ASN 4 Ca 0.16 0.00 -0.44 0.00 -0.53 0.00 0.00 54.58 53.77 2kta n ASN 4 Cb 0.46 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 2kta n ASN 4 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 2kta n LEU 5 N 0.00 5.58 -4.33 -4.53 0.00 -1.26 -4.95 117.00 107.50 2kta n LEU 5 Ca 0.00 -4.51 -0.33 0.00 0.00 0.00 0.00 56.01 51.18 2kta n LEU 5 Cb 0.00 -1.58 -0.15 0.00 0.00 0.00 0.00 43.42 41.68 2kta n LEU 5 CO 0.00 0.89 -0.49 0.00 0.00 0.00 0.00 177.39 177.79 2kta s GLN 6 N 1.27 3.15 -0.29 1.96 0.00 -1.26 -5.02 119.66 119.46 2kta s GLN 6 Ca 0.42 -0.76 -0.05 0.00 -0.00 0.00 0.00 55.36 54.97 2kta s GLN 6 Cb 0.00 -2.48 -0.12 0.00 0.00 0.00 0.00 33.01 30.41 2kta s GLN 6 CO 0.00 0.26 3.24 0.41 0.00 0.00 0.00 175.29 179.20 2kta n GLY 7 N 3.36 3.64 0.12 2.60 0.00 -1.26 -4.47 105.19 109.18 2kta n GLY 7 Ca -0.18 -1.51 0.12 0.00 0.00 0.00 0.00 46.02 44.45 2kta n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2kta n GLU 8 N 1.92 0.19 -0.14 1.61 0.28 -1.26 -2.26 120.64 120.98 2kta n GLU 8 Ca 0.48 0.37 -0.06 0.00 -0.16 0.00 0.00 57.16 57.79 2kta n GLU 8 Cb 0.73 -1.83 0.03 0.00 1.43 0.00 0.00 31.44 31.80 2kta n GLU 8 CO 0.00 0.00 0.00 2.35 -0.16 0.00 0.00 177.13 179.32 2kta h TRP 9 N 0.00 0.39 0.00 -1.84 -0.00 -1.99 0.50 115.95 113.01 2kta h TRP 9 Ca 0.00 0.02 -0.03 0.00 -0.00 0.00 0.00 58.89 58.88 2kta h TRP 9 Cb 0.42 -0.11 -0.00 0.00 -0.00 0.00 0.00 29.16 29.47 2kta h TRP 9 CO 0.00 0.19 -0.12 0.52 -0.00 0.00 0.00 178.44 179.03 2kta h MET 10 N 0.42 0.00 0.00 2.65 2.86 -1.84 0.11 114.93 119.14 2kta h MET 10 Ca 0.19 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2kta h MET 10 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 2kta h MET 10 CO -0.14 0.12 -0.00 -0.22 1.06 0.00 0.00 176.91 177.73 2kta h LYS 11 N 0.00 -0.01 0.00 1.72 3.11 -1.16 -3.32 116.57 116.92 2kta h LYS 11 Ca -0.00 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.74 2kta h LYS 11 Cb 0.40 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.61 2kta h LYS 11 CO 0.02 0.82 -0.47 -2.95 -2.81 0.00 0.00 179.45 174.06 2kta h ASN 12 N -0.98 0.00 0.22 4.20 7.08 0.05 -2.43 115.58 123.72 2kta h ASN 12 Ca -0.00 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.21 2kta h ASN 12 Cb 0.83 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.07 2kta h ASN 12 CO 0.00 0.47 -0.11 0.22 -2.08 0.00 0.00 177.43 175.94 2kta h TYR 13 N 0.00 -0.28 0.00 4.14 3.20 -0.94 0.10 116.97 123.19 2kta h TYR 13 Ca -0.00 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 2kta h TYR 13 Cb 1.27 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.62 2kta h TYR 13 CO 0.00 -0.08 -0.22 1.05 -1.64 0.00 0.00 178.16 177.27 2kta h GLU 14 N -0.42 0.00 -0.08 1.82 4.11 -1.65 0.40 114.58 118.75 2kta h GLU 14 Ca -0.03 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.30 2kta h GLU 14 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2kta h GLU 14 CO 0.05 0.22 -0.40 1.49 0.07 0.00 0.00 179.01 180.44 2kta h GLU 15 N 0.00 0.18 0.13 1.06 4.81 -0.96 -2.13 114.58 117.67 2kta h GLU 15 Ca -0.00 -0.08 -0.36 0.00 -0.13 0.00 0.00 59.36 58.79 2kta h GLU 15 Cb 0.59 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 2kta h GLU 15 CO 0.03 0.56 -1.90 1.25 -0.73 0.00 0.00 179.01 178.22 2kta h LEU 16 N 0.15 0.45 -0.21 1.64 5.85 -0.13 -3.34 115.31 119.72 2kta h LEU 16 Ca 0.01 -0.89 0.05 0.00 0.84 0.00 0.00 57.88 57.90 2kta h LEU 16 Cb 0.78 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.61 2kta h LEU 16 CO 0.06 1.78 -0.17 0.50 -0.34 0.00 0.00 178.44 180.28 2kta h LYS 17 N 0.08 -0.16 -0.33 1.25 3.64 -0.15 0.16 116.57 121.05 2kta h LYS 17 Ca -0.39 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.99 2kta h LYS 17 Cb 2.05 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.89 2kta h LYS 17 CO 0.11 -0.11 0.16 0.66 -2.27 0.00 0.00 179.45 178.00 2kta h SER 18 N -0.17 0.40 -0.00 4.20 4.64 -1.57 0.90 113.55 121.95 2kta h SER 18 Ca 0.12 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 2kta h SER 18 Cb 0.35 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2kta h SER 18 CO -0.31 0.35 -0.03 0.15 -0.87 0.00 0.00 176.83 176.12 2kta h PHE 19 N 0.46 0.03 -0.50 4.77 3.04 -1.36 -3.24 116.94 120.15 2kta h PHE 19 Ca 0.12 -0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.01 2kta h PHE 19 Cb 0.06 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.54 2kta h PHE 19 CO 0.00 0.79 0.14 0.28 -2.02 0.00 0.00 178.31 177.50 2kta h VAL 20 N -0.73 1.21 -0.63 1.41 2.07 -0.58 -1.77 116.25 117.22 2kta h VAL 20 Ca -0.00 -0.72 0.18 0.00 0.82 0.00 0.00 66.70 66.98 2kta h VAL 20 Cb 0.80 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2kta h VAL 20 CO 0.01 0.27 0.45 -0.09 0.02 0.00 0.00 177.57 178.23 2kta h ARG 21 N 0.73 0.04 0.00 1.57 2.43 -0.87 0.84 114.38 119.11 2kta h ARG 21 Ca 0.17 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.22 2kta h ARG 21 Cb 0.24 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2kta h ARG 21 CO -0.01 0.02 -1.00 1.17 -1.51 0.00 0.00 179.97 178.65 2kta n LYS 22 N -4.36 0.51 -0.08 0.20 4.81 -0.71 -4.72 118.16 113.80 2kta n LYS 22 Ca 0.12 0.48 -0.07 0.00 -0.87 0.00 0.00 58.31 57.97 2kta n LYS 22 Cb 0.68 -1.66 -0.14 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 -4.51 0.00 -2.36 5.64 4.01 -0.93 -5.08 117.16 113.94 2kta n TYR 23 Ca -0.20 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.51 2kta n TYR 23 Cb 0.48 -0.82 -0.03 0.00 -0.31 0.00 0.00 39.34 38.67 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 -2.60 -4.38 -0.17 -0.72 3.00 0.28 -5.01 116.66 107.07 2kta n ARG 24 Ca -0.26 3.29 0.01 0.00 -0.01 0.00 0.00 57.85 60.88 2kta n ARG 24 Cb 1.01 -4.51 -0.00 0.00 0.00 0.00 0.00 32.46 28.96 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 1.58 -0.44 -3.64 5.56 5.12 -1.26 -4.96 116.66 118.62 2kta n ARG 25 Ca -0.22 0.35 -0.29 0.00 -1.93 0.00 0.00 57.85 55.75 2kta n ARG 25 Cb 0.34 -0.45 -0.12 0.00 -1.16 0.00 0.00 32.46 31.07 2kta n ARG 25 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 2kta s PHE 26 N -3.83 1.74 -0.52 -1.55 -0.71 -1.26 -4.92 117.98 106.93 2kta s PHE 26 Ca 0.00 -2.31 -0.25 0.00 -1.04 0.00 0.00 56.93 53.32 2kta s PHE 26 Cb 0.00 -1.65 -0.24 0.00 -1.21 0.00 0.00 43.02 39.92 2kta s PHE 26 CO 0.00 -0.78 1.81 -2.30 -1.34 0.00 0.00 175.22 172.61 2kta n PRO 27 N 3.48 0.92 -3.28 1.99 -0.02 -1.26 -3.80 135.00 133.03 2kta n PRO 27 Ca 0.12 -1.57 -0.20 0.00 -2.02 0.00 0.00 63.50 59.83 2kta n PRO 27 Cb 0.36 -2.84 0.06 0.00 -0.02 0.00 0.00 33.50 31.06 2kta n PRO 27 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2kta n LYS 28 N 7.47 -6.06 0.00 -0.52 5.02 -1.26 -4.96 118.16 117.85 2kta n LYS 28 Ca 0.48 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.51 2kta n LYS 28 Cb 0.42 -5.40 0.00 0.00 -0.02 0.00 0.00 35.03 30.02 2kta n LYS 28 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2kta n SER 29 N -2.24 0.00 -0.04 4.39 7.64 -1.25 -4.61 113.62 117.51 2kta n SER 29 Ca -0.02 0.75 -0.05 0.00 1.01 0.00 0.00 58.87 60.55 2kta n SER 29 Cb 0.57 -0.25 -0.05 0.00 -1.01 0.00 0.00 64.21 63.46 2kta n SER 29 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2kta n THR 30 N -1.35 0.54 -2.98 0.44 -2.24 -1.26 -5.02 114.28 102.42 2kta n THR 30 Ca 0.00 -0.26 -0.22 0.00 -2.27 0.00 0.00 64.05 61.30 2kta n THR 30 Cb 0.00 -0.82 0.02 0.00 -2.10 0.00 0.00 70.33 67.43 2kta n THR 30 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2kta n GLU 31 N -2.57 -4.13 0.00 -0.78 1.02 -1.26 -4.94 120.64 107.98 2kta n GLU 31 Ca -0.15 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 2kta n GLU 31 Cb 0.71 -5.63 0.00 0.00 -0.02 0.00 0.00 31.44 26.50 2kta n GLU 31 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kta n GLY 32 N -1.37 1.75 0.30 0.62 0.00 -1.26 -3.93 105.19 101.30 2kta n GLY 32 Ca -0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 -0.59 0.55 1.61 4.21 -1.99 -2.35 115.58 117.02 2kta h ASN 33 Ca 0.00 -0.04 -0.17 0.00 1.21 0.00 0.00 56.30 57.30 2kta h ASN 33 Cb 0.00 0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.34 2kta h ASN 33 CO 0.00 -0.32 -0.75 -0.07 -1.29 0.00 0.00 177.43 175.00 2kta h LEU 34 N -0.84 0.20 -0.60 1.61 3.38 -1.96 -1.41 115.31 115.70 2kta h LEU 34 Ca -0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2kta h LEU 34 Cb 0.59 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 2kta h LEU 34 CO 0.12 0.88 0.35 1.23 0.09 0.00 0.00 178.44 181.10 2kta h GLY 35 N 1.81 0.88 1.94 0.83 0.00 -1.74 0.24 103.07 107.03 2kta h GLY 35 Ca -0.02 -0.38 -0.12 0.00 0.00 0.00 0.00 47.33 46.80 2kta h GLY 35 CO 0.11 0.37 -0.57 -1.33 0.00 0.00 0.00 176.54 175.12 2kta h GLY 36 N 0.81 0.07 0.90 4.60 0.00 -1.27 -1.35 103.07 106.83 2kta h GLY 36 Ca 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 2kta h GLY 36 CO -0.04 0.07 0.09 -0.25 0.00 0.00 0.00 176.54 176.42 2kta h TRP 37 N 0.05 0.43 -0.46 5.60 7.01 -0.61 -0.32 115.95 127.65 2kta h TRP 37 Ca -0.00 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.96 2kta h TRP 37 Cb 1.02 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.93 2kta h TRP 37 CO 0.01 0.46 0.30 0.00 -2.79 0.00 0.00 178.44 176.42 2kta h HIS 39 N 0.62 0.30 -0.29 0.00 3.86 -1.00 -0.31 115.15 118.34 2kta h HIS 39 Ca 0.17 -0.01 -0.18 0.00 -1.16 0.00 0.00 60.37 59.19 2kta h HIS 39 Cb -0.07 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.31 2kta h HIS 39 CO -0.04 0.27 -0.53 0.00 0.86 0.00 0.00 177.93 178.49 2kta h THR 40 N 0.31 1.28 0.00 2.45 1.03 -0.51 -2.69 112.91 114.79 2kta h THR 40 Ca 0.08 -1.72 -0.10 0.00 -0.01 0.00 0.00 66.41 64.66 2kta h THR 40 Cb 0.11 1.61 -0.01 0.00 -1.07 0.00 0.00 68.15 68.79 2kta h THR 40 CO -0.01 0.56 -0.50 1.56 -0.01 0.00 0.00 175.52 177.12 2kta h GLN 41 N 0.65 0.00 -0.69 0.00 4.20 -0.98 0.12 115.11 118.41 2kta h GLN 41 Ca 0.02 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.82 2kta h GLN 41 Cb 1.12 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.83 2kta h GLN 41 CO 0.12 0.50 0.34 -0.09 -0.67 0.00 0.00 178.83 179.03 2kta h ARG 42 N 0.00 0.57 0.29 1.46 9.65 -0.87 0.06 114.38 125.55 2kta h ARG 42 Ca -0.00 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 2kta h ARG 42 Cb 1.04 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.50 2kta h ARG 42 CO 0.06 0.38 -0.14 0.87 2.80 0.00 0.00 179.97 183.94 2kta h LYS 43 N 0.59 -0.38 -0.72 0.20 1.57 -1.07 -2.95 116.57 113.81 2kta h LYS 43 Ca 0.33 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 59.28 2kta h LYS 43 Cb 0.33 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.68 2kta h LYS 43 CO -0.26 -0.08 0.49 0.52 -0.57 0.00 0.00 179.45 179.55 2kta h MET 44 N -0.98 0.39 -0.02 3.15 2.86 -0.64 0.71 114.93 120.38 2kta h MET 44 Ca -0.04 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 2kta h MET 44 Cb 0.48 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2kta h MET 44 CO 0.07 0.26 -0.17 -0.09 1.06 0.00 0.00 176.91 178.03 2kta h ARG 45 N 0.40 0.16 0.00 1.72 9.65 -1.10 0.75 114.38 125.96 2kta h ARG 45 Ca 0.35 -0.14 -0.05 0.00 -1.10 0.00 0.00 59.98 59.04 2kta h ARG 45 Cb 0.81 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.42 2kta h ARG 45 CO -0.11 0.82 -0.25 -0.22 2.80 0.00 0.00 179.97 183.02 2kta h LYS 46 N -0.46 0.00 0.00 0.20 3.11 -0.95 -0.21 116.57 118.27 2kta h LYS 46 Ca -0.02 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.81 2kta h LYS 46 Cb 0.87 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.09 2kta h LYS 46 CO 0.04 0.25 -0.07 1.96 -2.81 0.00 0.00 179.45 178.81 2kta h GLN 47 N 0.00 0.00 -2.47 1.90 4.20 0.32 -3.48 115.11 115.59 2kta h GLN 47 Ca -0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 2kta h GLN 47 Cb 0.44 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.24 2kta h GLN 47 CO 0.03 0.07 -0.10 0.41 -0.67 0.00 0.00 178.83 178.57 2kta n GLY 48 N 1.03 0.34 0.06 3.46 0.00 -0.09 -4.97 105.19 105.02 2kta n GLY 48 Ca 0.03 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.41 0.00 -2.25 1.61 -0.00 0.12 -5.03 118.16 111.20 2kta n LYS 49 Ca -0.04 -0.46 -0.40 0.00 -0.00 0.00 0.00 58.31 57.41 2kta n LYS 49 Cb 0.52 -0.42 -0.03 0.00 -0.00 0.00 0.00 35.03 35.11 2kta n LYS 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2kta s LEU 50 N 0.00 4.41 0.32 -5.58 1.43 -1.05 -4.98 118.68 113.23 2kta s LEU 50 Ca 0.00 2.49 -0.25 0.00 -1.03 0.00 0.00 54.13 55.34 2kta s LEU 50 Cb 0.00 -3.73 -0.10 0.00 0.03 0.00 0.00 46.19 42.39 2kta s LEU 50 CO 0.00 -0.46 0.92 -2.16 0.23 0.00 0.00 176.35 174.88 2kta s PRO 51 N -1.82 4.51 0.11 1.29 0.04 -1.26 -4.99 135.00 132.89 2kta s PRO 51 Ca 0.50 1.26 -0.16 0.00 0.04 0.00 0.00 61.00 62.63 2kta s PRO 51 Cb -0.35 -2.75 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 2kta s PRO 51 CO 0.46 0.26 1.58 -0.97 0.04 0.00 0.00 177.00 178.38 2kta h ASN 52 N 3.08 0.57 -0.07 6.66 -0.73 -2.00 -3.08 115.58 120.01 2kta h ASN 52 Ca -0.47 -0.27 0.04 0.00 1.87 0.00 0.00 56.30 57.46 2kta h ASN 52 Cb 1.19 -0.15 -0.04 0.00 0.27 0.00 0.00 38.32 39.59 2kta h ASN 52 CO 0.65 0.70 -0.18 0.44 -0.37 0.00 0.00 177.43 178.67 2kta h ASP 53 N 0.42 -0.54 -0.49 1.15 5.19 -1.99 -0.45 116.42 119.70 2kta h ASP 53 Ca 0.10 0.09 0.05 0.00 -0.62 0.00 0.00 57.03 56.65 2kta h ASP 53 Cb 0.38 0.24 -0.04 0.00 0.18 0.00 0.00 39.33 40.09 2kta h ASP 53 CO 0.01 -0.23 0.24 -0.09 -3.12 0.00 0.00 179.24 176.04 2kta h ARG 54 N -0.25 0.45 -0.25 3.56 2.43 -1.99 0.63 114.38 118.96 2kta h ARG 54 Ca 0.08 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 2kta h ARG 54 Cb 0.36 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.76 2kta h ARG 54 CO -0.22 0.30 -0.07 -0.09 -1.51 0.00 0.00 179.97 178.38 2kta h ARG 55 N 0.47 -0.01 -0.23 0.20 1.12 -1.31 -2.46 114.38 112.15 2kta h ARG 55 Ca 0.22 0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.99 2kta h ARG 55 Cb 0.15 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.10 2kta h ARG 55 CO -0.17 -0.01 -0.28 1.25 -3.11 0.00 0.00 179.97 177.65 2kta h LEU 56 N -0.02 0.46 -1.57 3.80 5.85 -0.35 -2.67 115.31 120.81 2kta h LEU 56 Ca 0.12 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 2kta h LEU 56 Cb 0.20 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2kta h LEU 56 CO -0.27 0.73 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.46 2kta h LEU 57 N 0.40 0.21 -0.44 2.25 3.38 -0.45 -1.67 115.31 118.98 2kta h LEU 57 Ca 0.05 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 2kta h LEU 57 Cb 0.70 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2kta h LEU 57 CO 0.05 0.28 -0.59 -0.07 0.09 0.00 0.00 178.44 178.21 2kta h LEU 58 N 0.22 0.69 -1.59 1.67 3.38 -1.12 -2.75 115.31 115.81 2kta h LEU 58 Ca 0.05 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2kta h LEU 58 Cb 0.22 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2kta h LEU 58 CO 0.01 1.12 0.25 0.44 0.09 0.00 0.00 178.44 180.35 2kta h ASP 59 N 0.46 0.45 0.31 -0.43 5.19 -1.21 0.14 116.42 121.34 2kta h ASP 59 Ca -0.00 -0.02 -0.11 0.00 -0.62 0.00 0.00 57.03 56.29 2kta h ASP 59 Cb 1.15 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.54 2kta h ASP 59 CO 0.11 0.34 -0.45 0.11 -3.12 0.00 0.00 179.24 176.23 2kta h LYS 60 N 0.53 0.17 -0.00 3.56 6.56 -1.10 -2.49 116.57 123.80 2kta h LYS 60 Ca 0.14 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.65 2kta h LYS 60 Cb -0.04 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.62 2kta h LYS 60 CO -0.03 0.59 -0.24 0.44 -2.06 0.00 0.00 179.45 178.15 2kta n ILE 61 N -4.00 0.00 -0.05 1.86 -5.35 -0.90 -4.91 119.36 106.02 2kta n ILE 61 Ca -0.02 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 2kta n ILE 61 Cb 0.50 0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.46 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 1.39 1.24 3.57 3.28 0.00 -0.91 -4.54 105.19 109.23 2kta n GLY 62 Ca 0.10 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 2.79 0.30 1.61 5.36 0.44 -4.78 117.98 121.69 2kta s PHE 63 Ca 0.00 0.38 -0.28 0.00 -0.96 0.00 0.00 56.93 56.08 2kta s PHE 63 Cb 0.00 -4.24 -0.09 0.00 -0.34 0.00 0.00 43.02 38.34 2kta s PHE 63 CO 0.00 -1.32 0.97 0.54 -1.46 0.00 0.00 175.22 173.95 2kta s VAL 64 N 4.27 4.03 -0.21 3.12 0.11 -1.26 -4.19 120.40 126.27 2kta s VAL 64 Ca 0.40 1.83 0.06 0.00 -2.93 0.00 0.00 61.98 61.34 2kta s VAL 64 Cb -0.09 -4.08 -0.21 0.00 -1.53 0.00 0.00 36.38 30.47 2kta s VAL 64 CO 0.26 0.27 -0.02 0.79 -3.33 0.00 0.00 175.10 173.07 2kta n TRP 65 N 0.87 0.21 -4.79 1.54 7.02 -1.26 -4.96 117.44 116.07 2kta n TRP 65 Ca 0.01 0.05 0.00 0.00 -1.02 0.00 0.00 57.50 56.54 2kta n TRP 65 Cb 0.48 -1.03 0.00 0.00 -2.42 0.00 0.00 31.31 28.34 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 -3.12 -3.78 -4.39 -0.99 2.88 -1.26 -4.88 113.62 98.08 2kta n SER 66 Ca -0.39 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 56.86 2kta n SER 66 Cb 1.05 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 64.38 2kta n SER 66 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2kta s LEU 67 N 0.00 2.31 0.10 2.46 1.02 -1.26 -5.14 118.68 118.17 2kta s LEU 67 Ca 0.00 -0.67 -0.17 0.00 0.02 0.00 0.00 54.13 53.30 2kta s LEU 67 Cb 0.00 -1.28 0.04 0.00 0.02 0.00 0.00 46.19 44.97 2kta s LEU 67 CO 0.00 0.21 0.42 -0.70 0.02 0.00 0.00 176.35 176.30 2kta s GLU 68 N -1.78 1.03 -1.33 1.70 2.12 -1.26 -4.94 118.70 114.23 2kta s GLU 68 Ca 0.14 -0.56 0.00 0.00 0.36 0.00 0.00 54.97 54.91 2kta s GLU 68 Cb -0.10 0.46 0.00 0.00 0.26 0.00 0.00 34.13 34.74 2kta s GLU 68 CO 0.05 -0.39 0.00 0.72 -0.54 0.00 0.00 175.26 175.10 2kta n HIS 69 N 0.04 -0.00 -4.40 5.30 8.25 -1.26 -4.99 115.22 118.16 2kta n HIS 69 Ca -0.17 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.03 2kta n HIS 69 Cb 0.62 -2.29 -0.11 0.00 1.12 0.00 0.00 29.99 29.34 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 -2.46 2.37 0.03 4.41 3.76 -1.26 -4.90 115.29 117.22 2kta s HIS 70 Ca 0.00 -0.33 0.00 0.00 -0.15 0.00 0.00 55.06 54.58 2kta s HIS 70 Cb 0.00 -1.15 0.00 0.00 1.11 0.00 0.00 32.58 32.54 2kta s HIS 70 CO 0.00 0.53 0.00 1.58 -0.85 0.00 0.00 174.74 176.00 2kta n HIS 71 N 0.09 -1.19 0.00 1.40 -0.00 -1.26 -5.02 115.22 109.24 2kta n HIS 71 Ca -0.11 0.09 0.00 0.00 0.46 0.00 0.00 57.72 58.16 2kta n HIS 71 Cb 0.56 0.42 0.00 0.00 -0.12 0.00 0.00 29.99 30.85 2kta n HIS 71 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kta n HIS 72 N -2.33 0.00 -2.24 1.57 -0.00 -1.26 -5.14 115.22 105.82 2kta n HIS 72 Ca 0.00 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 57.91 2kta n HIS 72 Cb 0.00 0.00 0.05 0.00 -0.12 0.00 0.00 29.99 29.92 2kta n HIS 72 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2kta s HIS 73 N -0.99 3.14 -2.45 1.57 0.00 -1.26 -5.31 115.29 109.99 2kta s HIS 73 Ca 0.00 0.63 0.28 0.00 -3.00 0.00 0.00 55.06 52.98 2kta s HIS 73 Cb 0.00 -2.96 1.14 0.00 -4.00 0.00 0.00 32.58 26.76 2kta s HIS 73 CO 0.00 -1.10 1.80 -2.39 -1.00 0.00 0.00 174.74 172.04