#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kta n ASN 2 N 0.00 4.63 -4.51 7.83 3.02 -1.26 -5.06 115.26 119.91 2kta n ASN 2 Ca 0.00 -3.78 -0.29 0.00 -0.03 0.00 0.00 54.58 50.48 2kta n ASN 2 Cb 0.00 -0.44 0.18 0.00 -0.61 0.00 0.00 39.78 38.91 2kta n ASN 2 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kta s GLN 3 N -3.56 0.26 0.43 3.52 -2.07 -1.26 -5.04 119.66 111.95 2kta s GLN 3 Ca 0.50 0.27 -0.11 0.00 -1.82 0.00 0.00 55.36 54.20 2kta s GLN 3 Cb 0.41 -1.74 -0.06 0.00 -1.09 0.00 0.00 33.01 30.53 2kta s GLN 3 CO 0.02 -2.79 0.80 1.21 -1.32 0.00 0.00 175.29 173.21 2kta s ASN 4 N -3.78 6.52 0.00 12.60 3.84 -1.26 -4.63 114.94 128.23 2kta s ASN 4 Ca 0.66 1.19 0.00 0.00 0.21 0.00 0.00 52.86 54.92 2kta s ASN 4 Cb -0.15 -2.35 0.00 0.00 -0.55 0.00 0.00 41.25 38.20 2kta s ASN 4 CO 0.56 -0.44 0.00 0.18 -2.79 0.00 0.00 177.10 174.61 2kta n LEU 5 N -1.40 0.00 -0.66 3.21 4.77 -1.26 -4.87 117.00 116.79 2kta n LEU 5 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2kta n LEU 5 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2kta n LEU 5 CO 0.48 0.00 -0.20 0.00 -1.33 0.00 0.00 177.39 176.33 2kta n GLN 6 N 0.00 -1.75 -2.01 3.23 6.02 -1.26 -4.68 117.38 116.93 2kta n GLN 6 Ca 0.00 1.36 -0.41 0.00 -0.01 0.00 0.00 57.00 57.93 2kta n GLN 6 Cb 0.00 -1.68 -0.00 0.00 1.02 0.00 0.00 30.24 29.57 2kta n GLN 6 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kta n GLY 7 N -1.89 4.76 0.17 1.08 0.00 -1.26 -4.65 105.19 103.41 2kta n GLY 7 Ca 0.00 -1.92 0.13 0.00 0.00 0.00 0.00 46.02 44.23 2kta n GLY 7 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2kta h GLU 8 N 5.39 0.00 -0.01 1.61 4.11 -1.99 -3.12 114.58 120.58 2kta h GLU 8 Ca 0.57 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 60.00 2kta h GLU 8 Cb 0.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 2kta h GLU 8 CO 1.66 0.00 0.00 2.35 0.07 0.00 0.00 179.01 183.09 2kta h TRP 9 N 0.00 0.01 -0.39 2.06 -0.00 -1.98 0.82 115.95 116.47 2kta h TRP 9 Ca 0.00 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 58.84 2kta h TRP 9 Cb 0.66 -0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.80 2kta h TRP 9 CO 0.00 0.18 0.05 1.98 -0.00 0.00 0.00 178.44 180.65 2kta h MET 10 N -0.16 0.59 -0.03 2.65 4.05 -1.96 0.68 114.93 120.75 2kta h MET 10 Ca 0.00 -0.11 -0.04 0.00 -0.28 0.00 0.00 59.70 59.27 2kta h MET 10 Cb 0.17 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 2kta h MET 10 CO -0.00 0.57 -0.13 -0.22 0.23 0.00 0.00 176.91 177.36 2kta h LYS 11 N 0.57 0.15 -0.50 0.39 3.11 -1.41 -2.94 116.57 115.93 2kta h LYS 11 Ca 0.13 -0.11 -0.12 0.00 -2.81 0.00 0.00 60.65 57.73 2kta h LYS 11 Cb 0.28 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.52 2kta h LYS 11 CO 0.00 0.75 -0.16 -0.91 -2.81 0.00 0.00 179.45 176.33 2kta h ASN 12 N -0.42 0.99 -0.60 4.20 2.35 0.78 -2.56 115.58 120.32 2kta h ASN 12 Ca -0.01 -0.35 -0.03 0.00 -0.55 0.00 0.00 56.30 55.37 2kta h ASN 12 Cb 0.77 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.84 2kta h ASN 12 CO 0.03 1.13 0.26 0.22 -1.65 0.00 0.00 177.43 177.42 2kta h TYR 13 N 0.86 0.89 -0.55 1.19 3.20 -0.93 0.30 116.97 121.93 2kta h TYR 13 Ca 0.12 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 2kta h TYR 13 Cb 0.72 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 2kta h TYR 13 CO 0.05 0.70 0.17 0.93 -1.64 0.00 0.00 178.16 178.37 2kta h GLU 14 N 0.83 0.85 -0.37 1.82 4.39 -1.48 0.36 114.58 120.98 2kta h GLU 14 Ca 0.20 -0.18 -0.10 0.00 0.34 0.00 0.00 59.36 59.62 2kta h GLU 14 Cb 0.16 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2kta h GLU 14 CO -0.02 0.78 -0.17 1.49 -1.16 0.00 0.00 179.01 179.92 2kta h GLU 15 N 0.76 0.70 0.09 2.33 4.57 -1.02 -2.31 114.58 119.71 2kta h GLU 15 Ca 0.18 -0.25 -0.27 0.00 -1.18 0.00 0.00 59.36 57.83 2kta h GLU 15 Cb 0.28 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 2kta h GLU 15 CO -0.01 0.83 -1.31 1.25 -1.18 0.00 0.00 179.01 178.60 2kta h LEU 16 N 0.62 0.30 0.03 1.64 5.85 -0.16 -1.27 115.31 122.32 2kta h LEU 16 Ca 0.10 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.48 2kta h LEU 16 Cb 0.64 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2kta h LEU 16 CO 0.05 1.29 -0.13 0.50 -0.34 0.00 0.00 178.44 179.80 2kta h LYS 17 N 0.05 -0.23 -0.05 1.25 3.64 -0.22 0.29 116.57 121.29 2kta h LYS 17 Ca -0.15 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.15 2kta h LYS 17 Cb 1.95 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.81 2kta h LYS 17 CO 0.17 -0.15 -0.41 0.77 -2.27 0.00 0.00 179.45 177.56 2kta h SER 18 N -0.24 0.11 0.03 4.20 0.02 -1.44 -0.79 113.55 115.44 2kta h SER 18 Ca 0.04 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2kta h SER 18 Cb 0.28 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2kta h SER 18 CO -0.11 0.51 -0.01 0.15 -1.14 0.00 0.00 176.83 176.23 2kta h PHE 19 N 0.09 -0.04 -0.31 3.45 3.57 -0.72 -2.16 116.94 120.83 2kta h PHE 19 Ca 0.01 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.38 2kta h PHE 19 Cb 0.76 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 2kta h PHE 19 CO 0.01 0.47 -0.33 0.28 -2.23 0.00 0.00 178.31 176.51 2kta h VAL 20 N -0.56 1.28 -0.12 1.41 2.07 -0.41 0.38 116.25 120.30 2kta h VAL 20 Ca -0.00 -1.46 -0.05 0.00 0.82 0.00 0.00 66.70 66.00 2kta h VAL 20 Cb 0.52 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2kta h VAL 20 CO 0.01 0.47 -0.17 -0.09 0.02 0.00 0.00 177.57 177.81 2kta h ARG 21 N 0.58 0.19 0.00 1.57 1.12 -1.18 0.74 114.38 117.39 2kta h ARG 21 Ca 0.06 -0.04 -0.19 0.00 -1.11 0.00 0.00 59.98 58.70 2kta h ARG 21 Cb 0.84 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.74 2kta h ARG 21 CO 0.07 0.36 -1.36 1.17 -3.11 0.00 0.00 179.97 177.10 2kta n LYS 22 N -4.26 0.54 0.00 0.20 4.81 -0.81 -4.57 118.16 114.07 2kta n LYS 22 Ca -0.01 0.42 0.11 0.00 -0.87 0.00 0.00 58.31 57.95 2kta n LYS 22 Cb 0.28 -1.61 -0.02 0.00 0.02 0.00 0.00 35.03 33.71 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 -4.44 0.00 -2.99 5.64 4.01 0.13 -5.02 117.16 114.49 2kta n TYR 23 Ca -0.28 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.31 2kta n TYR 23 Cb 0.60 -0.06 0.02 0.00 -0.31 0.00 0.00 39.34 39.59 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 -1.34 -2.29 -0.72 -0.72 5.12 0.25 -4.87 116.66 112.09 2kta n ARG 24 Ca 0.05 1.98 0.09 0.00 -1.93 0.00 0.00 57.85 58.04 2kta n ARG 24 Cb 0.34 -4.91 -0.03 0.00 -1.16 0.00 0.00 32.46 26.70 2kta n ARG 24 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2kta n ARG 25 N -0.28 -1.54 -3.80 5.56 1.74 -1.25 -4.70 116.66 112.38 2kta n ARG 25 Ca 0.08 1.13 -0.33 0.00 -0.77 0.00 0.00 57.85 57.96 2kta n ARG 25 Cb 0.51 -1.85 -0.11 0.00 -1.02 0.00 0.00 32.46 29.99 2kta n ARG 25 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 2kta s PHE 26 N -2.45 3.49 -0.62 -1.55 -0.12 -1.26 -4.87 117.98 110.60 2kta s PHE 26 Ca 0.00 -3.06 -0.27 0.00 -0.05 0.00 0.00 56.93 53.56 2kta s PHE 26 Cb 0.00 -2.99 -0.01 0.00 -0.63 0.00 0.00 43.02 39.39 2kta s PHE 26 CO 0.00 -0.72 1.71 -1.25 -0.05 0.00 0.00 175.22 174.91 2kta s PRO 27 N -0.75 2.81 -1.42 1.99 0.04 -1.26 -3.56 135.00 132.85 2kta s PRO 27 Ca 0.21 0.46 -0.10 0.00 0.04 0.00 0.00 61.00 61.61 2kta s PRO 27 Cb -0.15 -4.32 0.03 0.00 0.04 0.00 0.00 34.50 30.10 2kta s PRO 27 CO -0.08 -2.53 1.09 1.63 0.04 0.00 0.00 177.00 177.15 2kta n LYS 28 N 9.16 -7.07 -2.65 4.56 5.02 -1.26 -4.97 118.16 120.95 2kta n LYS 28 Ca 0.16 0.76 -0.22 0.00 -2.02 0.00 0.00 58.31 57.00 2kta n LYS 28 Cb 0.51 -5.76 0.07 0.00 -0.02 0.00 0.00 35.03 29.82 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 -3.27 4.90 -0.64 4.39 0.01 -1.23 -5.05 113.70 112.80 2kta s SER 29 Ca 0.59 -0.23 0.06 0.00 1.31 0.00 0.00 55.95 57.69 2kta s SER 29 Cb -0.27 -0.43 0.24 0.00 0.21 0.00 0.00 66.02 65.76 2kta s SER 29 CO 0.73 -1.44 0.72 0.35 0.41 0.00 0.00 173.24 174.01 2kta n THR 30 N -2.52 2.23 -2.74 1.44 -2.24 -1.26 -5.08 114.28 104.11 2kta n THR 30 Ca 0.11 -5.16 -0.22 0.00 -2.27 0.00 0.00 64.05 56.51 2kta n THR 30 Cb 0.60 -2.11 0.09 0.00 -2.10 0.00 0.00 70.33 66.81 2kta n THR 30 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2kta s GLU 31 N -2.34 1.94 0.00 -0.78 1.03 -1.26 -5.09 118.70 112.20 2kta s GLU 31 Ca 0.38 -1.26 0.00 0.00 0.03 0.00 0.00 54.97 54.12 2kta s GLU 31 Cb 0.13 -2.45 0.00 0.00 -0.80 0.00 0.00 34.13 31.01 2kta s GLU 31 CO -0.03 -1.21 0.00 0.41 -1.33 0.00 0.00 175.26 173.10 2kta n GLY 32 N -2.61 0.86 0.33 -3.83 0.00 -1.26 -4.31 105.19 94.38 2kta n GLY 32 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.21 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 0.81 -0.28 1.61 4.21 -2.00 0.44 115.58 120.37 2kta h ASN 33 Ca 0.00 0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.54 2kta h ASN 33 Cb 0.00 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.06 2kta h ASN 33 CO 0.00 0.46 0.14 -0.07 -1.29 0.00 0.00 177.43 176.67 2kta h LEU 34 N 0.91 0.40 -0.02 1.61 3.38 -1.98 -1.19 115.31 118.42 2kta h LEU 34 Ca 0.43 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.37 2kta h LEU 34 Cb 0.37 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2kta h LEU 34 CO -0.24 0.35 0.01 1.23 0.09 0.00 0.00 178.44 179.88 2kta h GLY 35 N 0.57 0.03 1.89 0.83 0.00 -1.10 -0.06 103.07 105.24 2kta h GLY 35 Ca 0.11 -0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.33 2kta h GLY 35 CO -0.01 0.01 -0.44 -1.33 0.00 0.00 0.00 176.54 174.77 2kta h GLY 36 N -0.04 0.13 0.63 4.60 0.00 -1.33 0.42 103.07 107.48 2kta h GLY 36 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2kta h GLY 36 CO -0.00 0.11 -0.33 -0.25 0.00 0.00 0.00 176.54 176.07 2kta h TRP 37 N 0.10 -0.89 -0.15 5.60 7.01 -0.84 -2.00 115.95 124.78 2kta h TRP 37 Ca 0.01 0.01 -0.09 0.00 2.11 0.00 0.00 58.89 60.92 2kta h TRP 37 Cb 0.82 0.35 0.00 0.00 -2.10 0.00 0.00 29.16 28.23 2kta h TRP 37 CO 0.01 -0.47 -0.27 0.00 -2.79 0.00 0.00 178.44 174.92 2kta h HIS 39 N 0.07 0.00 0.00 0.00 3.86 -0.18 0.29 115.15 119.19 2kta h HIS 39 Ca 0.01 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.13 2kta h HIS 39 Cb 0.86 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.31 2kta h HIS 39 CO 0.10 0.00 -0.52 1.15 0.86 0.00 0.00 177.93 179.51 2kta h THR 40 N 0.00 1.24 0.00 2.45 2.02 -1.32 -3.39 112.91 113.91 2kta h THR 40 Ca 0.10 -2.13 -0.07 0.00 0.77 0.00 0.00 66.41 65.07 2kta h THR 40 Cb 0.41 2.54 -0.01 0.00 -1.74 0.00 0.00 68.15 69.36 2kta h THR 40 CO -0.00 0.42 -0.35 1.56 0.37 0.00 0.00 175.52 177.52 2kta h GLN 41 N -1.00 0.00 -0.81 6.66 4.20 -0.81 -2.20 115.11 121.15 2kta h GLN 41 Ca -0.14 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.65 2kta h GLN 41 Cb 1.03 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.74 2kta h GLN 41 CO -0.08 0.35 0.47 -0.09 -0.67 0.00 0.00 178.83 178.80 2kta h ARG 42 N 0.00 0.79 0.00 1.46 2.43 -0.65 0.15 114.38 118.56 2kta h ARG 42 Ca -0.00 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 58.93 2kta h ARG 42 Cb 1.10 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 2kta h ARG 42 CO 0.05 0.52 -0.86 -0.22 -1.51 0.00 0.00 179.97 177.94 2kta h LYS 43 N 0.81 0.15 -0.41 0.20 3.11 -1.66 -3.04 116.57 115.72 2kta h LYS 43 Ca 0.38 -0.16 0.00 0.00 -2.81 0.00 0.00 60.65 58.05 2kta h LYS 43 Cb 0.29 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.55 2kta h LYS 43 CO -0.22 0.92 0.26 0.52 -2.81 0.00 0.00 179.45 178.12 2kta h MET 44 N 0.08 0.56 -0.21 1.90 2.86 -0.67 0.26 114.93 119.71 2kta h MET 44 Ca -0.04 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 2kta h MET 44 Cb 1.49 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 33.02 2kta h MET 44 CO 0.13 0.39 -0.17 0.07 1.06 0.00 0.00 176.91 178.39 2kta h ARG 45 N 0.55 0.35 -0.09 1.72 -0.00 -0.74 0.34 114.38 116.51 2kta h ARG 45 Ca 0.15 -0.10 -0.20 0.00 -0.00 0.00 0.00 59.98 59.83 2kta h ARG 45 Cb -0.03 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 29.91 2kta h ARG 45 CO -0.03 0.52 -0.78 -0.22 -0.00 0.00 0.00 179.97 179.46 2kta h LYS 46 N 0.32 0.53 0.00 0.08 3.11 -1.37 -3.03 116.57 116.21 2kta h LYS 46 Ca 0.06 -0.45 0.00 0.00 -2.81 0.00 0.00 60.65 57.45 2kta h LYS 46 Cb 0.49 0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.82 2kta h LYS 46 CO 0.03 1.08 0.00 0.94 -2.81 0.00 0.00 179.45 178.69 2kta n GLN 47 N -3.85 0.23 -1.04 1.90 -0.06 0.89 -4.88 117.38 110.57 2kta n GLN 47 Ca -0.06 0.36 0.00 0.00 -2.00 0.00 0.00 57.00 55.30 2kta n GLN 47 Cb 0.74 -1.87 0.00 0.00 -4.06 0.00 0.00 30.24 25.05 2kta n GLN 47 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2kta n GLY 48 N 0.47 0.47 0.03 1.69 0.00 0.36 -4.93 105.19 103.26 2kta n GLY 48 Ca 0.03 -0.94 0.11 0.00 0.00 0.00 0.00 46.02 45.22 2kta n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kta n LYS 49 N -2.56 0.27 -3.53 1.61 4.01 0.93 -4.89 118.16 114.01 2kta n LYS 49 Ca 0.00 -0.02 -0.37 0.00 -0.51 0.00 0.00 58.31 57.41 2kta n LYS 49 Cb 0.08 -1.57 -0.06 0.00 -0.51 0.00 0.00 35.03 32.97 2kta n LYS 49 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2kta s LEU 50 N -3.82 4.43 0.54 -0.35 1.43 -1.17 -4.95 118.68 114.80 2kta s LEU 50 Ca 0.04 0.91 -0.07 0.00 -1.03 0.00 0.00 54.13 53.97 2kta s LEU 50 Cb 0.15 -2.72 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 2kta s LEU 50 CO 0.81 0.27 0.87 -2.16 0.23 0.00 0.00 176.35 176.38 2kta s PRO 51 N -1.37 3.42 0.44 1.29 0.04 -1.26 -4.89 135.00 132.67 2kta s PRO 51 Ca 0.27 0.30 0.24 0.00 0.04 0.00 0.00 61.00 61.84 2kta s PRO 51 Cb -0.16 -2.28 0.91 0.00 0.04 0.00 0.00 34.50 33.02 2kta s PRO 51 CO 0.15 -0.41 1.82 -0.97 0.04 0.00 0.00 177.00 177.63 2kta h ASN 52 N -0.00 0.00 -0.05 6.66 -1.24 -1.98 -3.14 115.58 115.82 2kta h ASN 52 Ca -0.46 0.00 0.03 0.00 0.71 0.00 0.00 56.30 56.58 2kta h ASN 52 Cb 1.21 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.23 2kta h ASN 52 CO 0.62 0.24 -0.13 0.44 -1.29 0.00 0.00 177.43 177.30 2kta h ASP 53 N 0.00 -0.39 -0.04 1.15 3.32 -1.99 0.52 116.42 118.99 2kta h ASP 53 Ca -0.00 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2kta h ASP 53 Cb 0.75 0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.47 2kta h ASP 53 CO 0.03 -0.18 -0.01 -0.09 -1.72 0.00 0.00 179.24 177.27 2kta h ARG 54 N -0.19 0.08 -0.99 3.56 2.43 -1.98 -2.81 114.38 114.48 2kta h ARG 54 Ca 0.06 -0.03 0.23 0.00 -0.81 0.00 0.00 59.98 59.43 2kta h ARG 54 Cb 0.28 -0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.74 2kta h ARG 54 CO -0.16 0.45 0.64 -0.09 -1.51 0.00 0.00 179.97 179.29 2kta h ARG 55 N -0.29 0.46 -0.34 0.20 1.12 -1.44 -0.65 114.38 113.44 2kta h ARG 55 Ca 0.01 -0.03 -0.10 0.00 -1.11 0.00 0.00 59.98 58.76 2kta h ARG 55 Cb 0.42 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.27 2kta h ARG 55 CO 0.01 0.30 -0.16 1.25 -3.11 0.00 0.00 179.97 178.25 2kta h LEU 56 N 0.47 0.73 -1.37 3.80 5.85 0.21 -2.00 115.31 122.99 2kta h LEU 56 Ca 0.55 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 2kta h LEU 56 Cb 1.28 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 2kta h LEU 56 CO -0.27 0.97 0.11 -0.07 -0.34 0.00 0.00 178.44 178.84 2kta h LEU 57 N 0.48 0.49 -0.73 2.25 4.07 -0.90 -1.27 115.31 119.69 2kta h LEU 57 Ca 0.08 -0.06 -0.09 0.00 0.08 0.00 0.00 57.88 57.89 2kta h LEU 57 Cb 0.70 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.29 2kta h LEU 57 CO 0.05 0.47 0.02 -0.07 -1.08 0.00 0.00 178.44 177.84 2kta h LEU 58 N 0.53 0.96 -0.85 1.67 -0.00 -1.13 -2.86 115.31 113.63 2kta h LEU 58 Ca 0.13 -0.25 -0.07 0.00 -0.00 0.00 0.00 57.88 57.68 2kta h LEU 58 Cb 0.17 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 40.55 2kta h LEU 58 CO -0.01 1.00 0.06 -0.78 -0.00 0.00 0.00 178.44 178.72 2kta h ASP 59 N 0.92 0.88 -0.65 -0.43 1.82 -0.52 0.19 116.42 118.63 2kta h ASP 59 Ca 0.17 -0.20 -0.04 0.00 -0.39 0.00 0.00 57.03 56.57 2kta h ASP 59 Cb 0.50 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.25 2kta h ASP 59 CO 0.02 0.90 0.24 0.11 -1.61 0.00 0.00 179.24 178.91 2kta h LYS 60 N 0.87 0.99 0.00 0.28 6.56 -1.08 -2.01 116.57 122.18 2kta h LYS 60 Ca 0.17 -0.19 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 2kta h LYS 60 Cb 0.42 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 31.93 2kta h LYS 60 CO 0.01 0.84 0.00 -0.84 -2.06 0.00 0.00 179.45 177.41 2kta h ILE 61 N 0.93 0.00 0.00 1.86 3.07 -1.36 -3.46 117.51 118.55 2kta h ILE 61 Ca 0.22 -0.51 0.00 0.00 1.55 0.00 0.00 64.86 66.12 2kta h ILE 61 Cb 0.24 1.44 0.00 0.00 -0.27 0.00 0.00 36.82 38.22 2kta h ILE 61 CO -0.01 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.70 2kta n GLY 62 N 0.79 1.64 3.77 0.16 0.00 -0.75 -4.47 105.19 106.32 2kta n GLY 62 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 3.58 -0.09 1.61 5.36 0.63 -4.73 117.98 122.33 2kta s PHE 63 Ca 0.00 0.83 -0.03 0.00 -0.96 0.00 0.00 56.93 56.77 2kta s PHE 63 Cb 0.00 -2.38 -0.03 0.00 -0.34 0.00 0.00 43.02 40.26 2kta s PHE 63 CO 0.00 0.37 0.04 0.54 -1.46 0.00 0.00 175.22 174.71 2kta s VAL 64 N -0.06 4.63 -2.80 3.12 0.11 -1.26 -4.26 120.40 119.88 2kta s VAL 64 Ca 0.22 -0.13 0.24 0.00 -2.93 0.00 0.00 61.98 59.38 2kta s VAL 64 Cb -0.15 -2.97 0.26 0.00 -1.53 0.00 0.00 36.38 31.99 2kta s VAL 64 CO 0.09 0.61 1.29 0.79 -3.33 0.00 0.00 175.10 174.55 2kta n TRP 65 N 2.09 0.15 -0.61 1.54 7.02 -1.26 -5.07 117.44 121.30 2kta n TRP 65 Ca -0.19 -0.08 0.03 0.00 -1.02 0.00 0.00 57.50 56.24 2kta n TRP 65 Cb 0.54 -0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.41 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 1.38 -3.28 0.12 -0.99 2.88 -1.26 -4.72 113.62 107.75 2kta n SER 66 Ca 0.15 0.68 0.01 0.00 -1.33 0.00 0.00 58.87 58.38 2kta n SER 66 Cb 0.60 -1.66 -0.01 0.00 -0.75 0.00 0.00 64.21 62.39 2kta n SER 66 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2kta h LEU 67 N -0.20 0.00 0.00 2.46 7.12 -1.97 -3.47 115.31 119.25 2kta h LEU 67 Ca -0.03 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.98 2kta h LEU 67 Cb 0.46 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.59 2kta h LEU 67 CO 0.01 0.60 0.00 -0.62 -0.13 0.00 0.00 178.44 178.30 2kta n GLU 68 N -3.24 0.00 -3.82 1.25 -0.58 -1.26 -4.47 120.64 108.52 2kta n GLU 68 Ca 0.01 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.47 2kta n GLU 68 Cb 0.78 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 31.53 2kta n GLU 68 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2kta s HIS 69 N 0.00 3.13 0.00 -0.32 3.76 -1.26 -4.88 115.29 115.72 2kta s HIS 69 Ca 0.00 -3.16 0.00 0.00 -0.15 0.00 0.00 55.06 51.75 2kta s HIS 69 Cb 0.00 -2.42 0.00 0.00 1.11 0.00 0.00 32.58 31.27 2kta s HIS 69 CO 0.00 -0.60 0.00 1.58 -0.85 0.00 0.00 174.74 174.87 2kta n HIS 70 N 2.20 0.00 -1.68 1.40 -0.00 -1.26 -5.13 115.22 110.75 2kta n HIS 70 Ca 0.20 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.49 2kta n HIS 70 Cb 0.37 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.33 2kta n HIS 70 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2kta n HIS 71 N 0.00 2.55 -2.81 1.57 1.44 -1.26 -4.96 115.22 111.76 2kta n HIS 71 Ca 0.00 -0.20 -0.38 0.00 -2.01 0.00 0.00 57.72 55.13 2kta n HIS 71 Cb 0.00 -2.75 -0.06 0.00 0.12 0.00 0.00 29.99 27.30 2kta n HIS 71 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2kta s HIS 72 N 3.36 3.80 0.12 -1.40 3.76 -1.26 -5.07 115.29 118.61 2kta s HIS 72 Ca 0.85 1.79 0.11 0.00 -0.15 0.00 0.00 55.06 57.65 2kta s HIS 72 Cb -0.49 -2.91 -0.04 0.00 1.11 0.00 0.00 32.58 30.25 2kta s HIS 72 CO 0.40 0.32 -0.26 -3.38 -0.85 0.00 0.00 174.74 170.97 2kta s HIS 73 N -1.43 2.27 -2.84 1.40 -3.43 -1.26 -5.32 115.29 104.68 2kta s HIS 73 Ca 0.46 -0.39 0.23 0.00 -0.80 0.00 0.00 55.06 54.56 2kta s HIS 73 Cb -0.21 -1.25 0.18 0.00 -1.43 0.00 0.00 32.58 29.87 2kta s HIS 73 CO 0.26 0.30 1.22 0.72 -2.00 0.00 0.00 174.74 175.24