#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kjs n LEU 2 N 0.00 0.00 0.00 4.03 7.94 -1.25 0.32 117.00 128.05 1kjs n LEU 2 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1kjs n LEU 2 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1kjs n LEU 2 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28 1kjs n GLN 3 N -0.56 0.00 -0.09 1.96 10.64 -1.25 -4.74 117.38 123.35 1kjs n GLN 3 Ca 0.02 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 55.08 1kjs n GLN 3 Cb 0.01 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.35 1kjs n GLN 3 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 1kjs n LYS 4 N 0.00 0.50 0.02 2.61 0.00 -1.25 -2.18 118.16 117.85 1kjs n LYS 4 Ca 0.00 0.42 0.12 0.00 0.00 0.00 0.00 58.31 58.85 1kjs n LYS 4 Cb 0.00 -1.61 0.50 0.00 0.00 0.00 0.00 35.03 33.91 1kjs n LYS 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1kjs n LYS 5 N -4.51 0.03 -0.11 1.64 3.00 -1.26 -1.89 118.16 115.05 1kjs n LYS 5 Ca -0.17 0.12 -0.14 0.00 -0.00 0.00 0.00 58.31 58.11 1kjs n LYS 5 Cb 0.45 -1.54 -0.14 0.00 0.00 0.00 0.00 35.03 33.80 1kjs n LYS 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1kjs n ILE 6 N -1.60 1.45 0.25 3.15 2.08 -1.26 -3.55 119.36 119.88 1kjs n ILE 6 Ca 0.06 -0.70 0.14 0.00 0.56 0.00 0.00 62.75 62.80 1kjs n ILE 6 Cb 0.29 -1.00 0.49 0.00 -0.75 0.00 0.00 39.64 38.67 1kjs n ILE 6 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1kjs h GLU 7 N 0.00 0.00 0.07 0.38 4.57 -1.39 -0.09 114.58 118.11 1kjs h GLU 7 Ca -0.56 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 57.37 1kjs h GLU 7 Cb 2.06 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 30.67 1kjs h GLU 7 CO -0.03 0.08 -1.00 1.05 -1.18 0.00 0.00 179.01 177.93 1kjs h GLU 8 N 0.00 0.55 0.00 1.92 4.11 -1.53 -1.04 114.58 118.60 1kjs h GLU 8 Ca -0.00 -0.69 -0.06 0.00 0.07 0.00 0.00 59.36 58.68 1kjs h GLU 8 Cb 0.71 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1kjs h GLU 8 CO 0.01 1.29 -0.27 0.97 0.07 0.00 0.00 179.01 181.08 1kjs h ILE 9 N 0.13 0.51 0.03 -1.06 6.09 -1.56 -0.50 117.51 121.15 1kjs h ILE 9 Ca -0.14 -1.50 -0.15 0.00 -1.37 0.00 0.00 64.86 61.70 1kjs h ILE 9 Cb 1.69 2.07 0.01 0.00 0.47 0.00 0.00 36.82 41.07 1kjs h ILE 9 CO 0.19 0.26 -0.62 0.00 -3.07 0.00 0.00 178.15 174.92 1kjs h ALA 10 N 1.73 0.04 0.00 0.18 0.00 -1.00 -3.25 119.26 116.96 1kjs h ALA 10 Ca -0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 54.91 54.19 1kjs h ALA 10 Cb 1.05 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1kjs h ALA 10 CO 0.03 0.33 -0.64 0.00 0.00 0.00 0.00 179.25 178.98 1kjs h ALA 11 N 0.26 0.94 -0.48 0.00 0.00 -1.16 -3.16 119.26 115.66 1kjs h ALA 11 Ca -0.09 -0.58 -0.41 0.00 0.00 0.00 0.00 54.91 53.83 1kjs h ALA 11 Cb 1.36 -0.10 -0.16 0.00 0.00 0.00 0.00 17.79 18.89 1kjs h ALA 11 CO 0.12 0.79 0.36 0.36 0.00 0.00 0.00 179.25 180.89 1kjs n LYS 12 N -3.77 2.14 -4.50 0.00 -0.00 -0.20 -4.89 118.16 106.94 1kjs n LYS 12 Ca -0.01 -1.96 -0.33 0.00 -0.00 0.00 0.00 58.31 56.01 1kjs n LYS 12 Cb 0.63 -1.92 -0.11 0.00 -0.00 0.00 0.00 35.03 33.64 1kjs n LYS 12 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1kjs s TYR 13 N -1.62 2.90 -0.20 5.58 2.02 -1.19 -4.93 117.35 119.90 1kjs s TYR 13 Ca 0.48 -0.02 -0.01 0.00 -0.37 0.00 0.00 57.07 57.15 1kjs s TYR 13 Cb 0.32 -1.63 0.11 0.00 -0.40 0.00 0.00 41.96 40.36 1kjs s TYR 13 CO -0.12 0.36 2.16 1.17 -1.57 0.00 0.00 175.55 177.55 1kjs n LYS 14 N 1.71 1.59 -3.15 -0.62 3.00 -1.26 -4.64 118.16 114.79 1kjs n LYS 14 Ca -0.16 -1.07 0.05 0.00 -0.00 0.00 0.00 58.31 57.14 1kjs n LYS 14 Cb 0.53 -1.47 -0.01 0.00 0.00 0.00 0.00 35.03 34.07 1kjs n LYS 14 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1kjs s HIS 15 N -1.05 -0.42 0.35 5.64 2.46 -1.26 -5.02 115.29 115.99 1kjs s HIS 15 Ca 0.25 0.40 0.17 0.00 0.47 0.00 0.00 55.06 56.35 1kjs s HIS 15 Cb 0.18 0.13 1.20 0.00 -0.13 0.00 0.00 32.58 33.96 1kjs s HIS 15 CO -0.02 -0.23 1.60 1.03 -2.47 0.00 0.00 174.74 174.65 1kjs h SER 16 N 7.85 0.28 -0.85 9.88 0.87 -1.96 0.39 113.55 130.02 1kjs h SER 16 Ca -0.12 0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 1kjs h SER 16 Cb 1.17 0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 63.35 1kjs h SER 16 CO -0.13 -0.35 0.44 0.58 -0.53 0.00 0.00 176.83 176.84 1kjs h VAL 17 N 0.09 1.25 -0.17 2.23 2.07 -1.97 -0.91 116.25 118.84 1kjs h VAL 17 Ca 0.79 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 67.68 1kjs h VAL 17 Cb 1.97 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1kjs h VAL 17 CO -0.74 0.30 0.45 0.58 0.02 0.00 0.00 177.57 178.18 1kjs h VAL 18 N 1.19 0.12 0.03 2.57 2.07 -0.57 0.98 116.25 122.64 1kjs h VAL 18 Ca 0.29 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.81 1kjs h VAL 18 Cb 0.07 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1kjs h VAL 18 CO -0.04 0.00 -0.02 0.50 0.02 0.00 0.00 177.57 178.03 1kjs h LYS 19 N 0.00 -0.04 -0.22 1.57 1.63 -1.17 -1.43 116.57 116.90 1kjs h LYS 19 Ca 0.08 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 1kjs h LYS 19 Cb 0.99 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.62 1kjs h LYS 19 CO -0.00 0.03 0.10 -0.22 -3.45 0.00 0.00 179.45 175.91 1kjs h LYS 20 N -0.10 0.32 -0.53 1.90 3.64 -0.94 0.96 116.57 121.82 1kjs h LYS 20 Ca -0.00 -0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.43 1kjs h LYS 20 Cb 0.09 -0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 31.75 1kjs h LYS 20 CO 0.01 0.35 -0.15 0.00 -2.27 0.00 0.00 179.45 177.39 1kjs h TYR 23 N 0.00 -0.43 -0.25 0.00 0.05 0.28 -1.35 116.97 115.27 1kjs h TYR 23 Ca -0.00 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 1kjs h TYR 23 Cb 0.77 0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.68 1kjs h TYR 23 CO 0.00 -0.25 -0.10 -0.44 -1.05 0.00 0.00 178.16 176.32 1kjs h ASP 24 N -0.35 0.53 -0.93 3.88 3.32 -1.13 -0.85 116.42 120.89 1kjs h ASP 24 Ca 0.01 -0.40 0.13 0.00 0.02 0.00 0.00 57.03 56.79 1kjs h ASP 24 Cb 0.34 -0.14 -0.14 0.00 0.22 0.00 0.00 39.33 39.60 1kjs h ASP 24 CO -0.06 0.81 -0.45 1.23 -1.72 0.00 0.00 179.24 179.05 1kjs h GLY 25 N 0.24 -0.27 1.73 2.75 0.00 -0.90 2.19 103.07 108.81 1kjs h GLY 25 Ca 0.06 0.61 -0.11 0.00 0.00 0.00 0.00 47.33 47.88 1kjs h GLY 25 CO 0.03 -0.12 -0.41 0.00 0.00 0.00 0.00 176.54 176.04 1kjs h ALA 26 N 1.01 1.06 -0.23 3.60 0.00 -1.19 -2.04 119.26 121.47 1kjs h ALA 26 Ca 0.27 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1kjs h ALA 26 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1kjs h ALA 26 CO -0.93 0.60 0.00 0.00 0.00 0.00 0.00 179.25 178.92 1kjs n VAL 28 N 0.24 0.49 0.00 0.00 3.14 0.64 -4.81 118.33 118.04 1kjs n VAL 28 Ca 0.09 -0.17 0.00 0.00 -2.96 0.00 0.00 64.34 61.31 1kjs n VAL 28 Cb 0.44 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.22 1kjs n VAL 28 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1kjs n ASN 29 N 0.72 0.00 -1.65 6.55 4.13 -1.26 -4.72 115.26 119.03 1kjs n ASN 29 Ca 0.05 0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.27 1kjs n ASN 29 Cb 0.10 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.36 1kjs n ASN 29 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1kjs n ASN 30 N 0.00 -1.06 -3.48 6.41 5.15 -1.26 -5.14 115.26 115.88 1kjs n ASN 30 Ca 0.00 -1.89 -0.10 0.00 -0.60 0.00 0.00 54.58 51.99 1kjs n ASN 30 Cb 0.00 0.42 -0.02 0.00 -0.53 0.00 0.00 39.78 39.65 1kjs n ASN 30 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 1kjs s ASP 31 N -0.92 -0.46 0.00 1.20 1.47 -1.26 -5.08 116.67 111.61 1kjs s ASP 31 Ca 0.04 -0.03 0.00 0.00 1.18 0.00 0.00 52.55 53.73 1kjs s ASP 31 Cb 0.18 0.51 0.00 0.00 -0.34 0.00 0.00 42.92 43.27 1kjs s ASP 31 CO -0.05 -0.83 0.56 -0.62 0.68 0.00 0.00 175.17 174.91 1kjs n GLU 32 N -0.33 0.00 -1.47 2.11 1.02 -1.26 -3.47 120.64 117.24 1kjs n GLU 32 Ca -0.13 0.56 -0.14 0.00 -0.02 0.00 0.00 57.16 57.43 1kjs n GLU 32 Cb 0.63 -1.05 -0.12 0.00 -0.02 0.00 0.00 31.44 30.89 1kjs n GLU 32 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1kjs n THR 33 N -1.31 0.00 0.00 2.62 -2.24 -1.26 -4.80 114.28 107.29 1kjs n THR 33 Ca 0.00 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1kjs n THR 33 Cb 0.00 -1.10 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 1kjs n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kjs h GLU 35 N 0.00 0.71 -1.00 0.00 4.39 -1.93 0.31 114.58 117.07 1kjs h GLU 35 Ca 0.00 -0.04 0.17 0.00 0.34 0.00 0.00 59.36 59.83 1kjs h GLU 35 Cb 0.00 -0.16 -0.10 0.00 -0.10 0.00 0.00 28.75 28.39 1kjs h GLU 35 CO 0.00 0.47 0.61 1.96 -1.16 0.00 0.00 179.01 180.89 1kjs h GLN 36 N 0.73 0.80 -0.12 2.33 4.20 -1.93 1.29 115.11 122.41 1kjs h GLN 36 Ca 0.22 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.73 1kjs h GLN 36 Cb 0.00 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 1kjs h GLN 36 CO -0.06 0.53 -0.59 -0.09 -0.67 0.00 0.00 178.83 177.95 1kjs h ARG 37 N 0.82 0.40 0.00 1.46 9.65 0.23 -3.26 114.38 123.68 1kjs h ARG 37 Ca 0.55 -0.27 0.00 0.00 -1.10 0.00 0.00 59.98 59.16 1kjs h ARG 37 Cb 0.77 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.39 1kjs h ARG 37 CO -0.35 0.88 0.00 0.00 2.80 0.00 0.00 179.97 183.30 1kjs n ALA 38 N -2.50 -0.13 0.00 2.80 0.00 0.43 -4.87 120.51 116.25 1kjs n ALA 38 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1kjs n ALA 38 Cb 0.62 0.34 0.00 0.00 0.00 0.00 0.00 19.45 20.41 1kjs n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kjs n ALA 39 N -2.53 0.00 0.00 0.00 0.00 -0.68 -5.09 120.51 112.21 1kjs n ALA 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1kjs n ALA 39 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1kjs n ALA 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1kjs n ARG 40 N 0.00 0.00 -1.52 0.00 1.74 -1.25 -4.98 116.66 110.65 1kjs n ARG 40 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 1kjs n ARG 40 Cb 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.31 1kjs n ARG 40 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 1kjs n ILE 41 N 0.00 -0.02 -2.63 0.55 0.13 -1.26 -4.65 119.36 111.48 1kjs n ILE 41 Ca 0.00 -0.33 -0.12 0.00 -1.10 0.00 0.00 62.75 61.20 1kjs n ILE 41 Cb 0.00 -1.08 0.03 0.00 -0.84 0.00 0.00 39.64 37.75 1kjs n ILE 41 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 1kjs n SER 42 N 11.57 2.12 -0.01 9.51 3.41 -1.26 -4.74 113.62 134.21 1kjs n SER 42 Ca 0.58 -2.86 0.04 0.00 -0.26 0.00 0.00 58.87 56.36 1kjs n SER 42 Cb 0.21 -0.51 -0.04 0.00 -0.26 0.00 0.00 64.21 63.61 1kjs n SER 42 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1kjs n LEU 43 N -0.19 0.41 0.00 1.04 4.32 -1.26 -5.09 117.00 116.22 1kjs n LEU 43 Ca 0.15 -0.52 0.00 0.00 -0.02 0.00 0.00 56.01 55.62 1kjs n LEU 43 Cb 0.79 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.59 1kjs n LEU 43 CO 0.27 0.10 0.00 0.61 -1.22 0.00 0.00 177.39 177.15 1kjs n GLY 44 N 1.14 0.96 0.05 -0.72 0.00 -1.26 -4.90 105.19 100.46 1kjs n GLY 44 Ca 0.02 -1.63 -0.00 0.00 0.00 0.00 0.00 46.02 44.40 1kjs n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kjs h PRO 45 N 0.00 0.00 -0.83 1.61 0.13 -1.98 -3.21 132.00 127.71 1kjs h PRO 45 Ca 0.00 0.00 0.24 0.00 -0.87 0.00 0.00 66.00 65.37 1kjs h PRO 45 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1kjs h PRO 45 CO 0.00 0.00 0.81 0.07 -0.23 0.00 0.00 178.00 178.65 1kjs h ARG 46 N -0.88 0.00 0.23 0.86 -0.00 -2.01 0.15 114.38 112.74 1kjs h ARG 46 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.97 1kjs h ARG 46 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.02 1kjs h ARG 46 CO 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 179.97 179.86 1kjs n ILE 48 N -5.09 -0.28 0.23 0.00 2.08 0.54 0.13 119.36 116.97 1kjs n ILE 48 Ca -0.09 1.62 0.12 0.00 0.56 0.00 0.00 62.75 64.96 1kjs n ILE 48 Cb 0.24 -2.06 0.15 0.00 -0.75 0.00 0.00 39.64 37.21 1kjs n ILE 48 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 1kjs h LYS 49 N 0.00 0.00 0.23 0.38 1.57 -1.66 -1.14 116.57 115.96 1kjs h LYS 49 Ca 0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1kjs h LYS 49 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1kjs h LYS 49 CO -0.38 0.00 -0.11 0.00 -0.57 0.00 0.00 179.45 178.38 1kjs h ALA 50 N 2.05 -0.48 -0.11 3.86 0.00 0.16 -0.15 119.26 124.60 1kjs h ALA 50 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1kjs h ALA 50 Cb 0.98 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1kjs h ALA 50 CO 0.00 -0.45 0.06 0.27 0.00 0.00 0.00 179.25 179.13 1kjs h PHE 51 N -0.67 0.15 -0.98 0.00 -5.15 -0.33 -0.83 116.94 109.12 1kjs h PHE 51 Ca -0.03 -0.00 0.09 0.00 -0.20 0.00 0.00 57.97 57.82 1kjs h PHE 51 Cb 0.24 -0.05 -0.07 0.00 0.22 0.00 0.00 35.95 36.29 1kjs h PHE 51 CO 0.04 0.16 0.63 1.15 -2.00 0.00 0.00 178.31 178.29 1kjs h THR 52 N 0.09 1.01 -0.32 0.88 2.02 -1.24 0.26 112.91 115.62 1kjs h THR 52 Ca 0.04 -0.36 -0.15 0.00 0.77 0.00 0.00 66.41 66.70 1kjs h THR 52 Cb 0.07 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.33 1kjs h THR 52 CO -0.01 0.19 -0.41 -0.08 0.37 0.00 0.00 175.52 175.59 1kjs h GLU 53 N 1.06 0.79 0.00 6.66 4.57 -0.57 0.65 114.58 127.74 1kjs h GLU 53 Ca 0.45 -0.42 -0.12 0.00 -1.18 0.00 0.00 59.36 58.09 1kjs h GLU 53 Cb 0.31 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 1kjs h GLU 53 CO -0.20 1.05 -0.65 0.00 -1.18 0.00 0.00 179.01 178.03 1kjs h VAL 56 N 0.03 1.42 -0.58 0.00 2.07 -0.88 0.67 116.25 118.98 1kjs h VAL 56 Ca -0.13 -2.44 -0.08 0.00 0.82 0.00 0.00 66.70 64.87 1kjs h VAL 56 Cb 1.90 2.95 -0.02 0.00 -1.52 0.00 0.00 31.29 34.60 1kjs h VAL 56 CO 0.14 0.71 0.05 -0.37 0.02 0.00 0.00 177.57 178.12 1kjs h VAL 57 N -0.12 1.26 0.00 2.57 -1.51 -1.24 0.30 116.25 117.51 1kjs h VAL 57 Ca -0.15 -1.06 -0.02 0.00 -1.23 0.00 0.00 66.70 64.24 1kjs h VAL 57 Cb 1.69 0.81 -0.00 0.00 -2.13 0.00 0.00 31.29 31.65 1kjs h VAL 57 CO 0.18 0.38 -0.10 0.00 -1.23 0.00 0.00 177.57 176.80 1kjs h ALA 58 N 0.99 1.12 -0.29 5.19 0.00 -1.00 0.28 119.26 125.55 1kjs h ALA 58 Ca 0.17 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1kjs h ALA 58 Cb 0.48 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1kjs h ALA 58 CO 0.02 0.13 -0.29 1.03 0.00 0.00 0.00 179.25 180.14 1kjs h SER 59 N 0.00 0.75 1.40 0.00 0.87 0.40 0.18 113.55 117.14 1kjs h SER 59 Ca -0.00 -0.47 -0.10 0.00 -1.23 0.00 0.00 61.79 59.99 1kjs h SER 59 Cb 0.44 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 1kjs h SER 59 CO 0.01 1.07 -0.62 1.56 -0.53 0.00 0.00 176.83 178.32 1kjs h GLN 60 N 0.45 0.00 0.02 2.24 4.20 -0.55 0.42 115.11 121.89 1kjs h GLN 60 Ca 0.05 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.55 1kjs h GLN 60 Cb 0.86 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 1kjs h GLN 60 CO 0.07 0.39 -0.94 -0.07 -0.67 0.00 0.00 178.83 177.61 1kjs h LEU 61 N 0.00 0.26 0.00 1.46 3.38 -0.88 -3.13 115.31 116.40 1kjs h LEU 61 Ca -0.03 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1kjs h LEU 61 Cb 1.36 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1kjs h LEU 61 CO 0.05 1.06 -1.16 -2.11 0.09 0.00 0.00 178.44 176.37 1kjs n ARG 62 N -3.61 0.28 -0.81 1.13 1.85 0.59 -3.95 116.66 112.13 1kjs n ARG 62 Ca -0.04 -0.04 0.08 0.00 -1.00 0.00 0.00 57.85 56.85 1kjs n ARG 62 Cb 0.85 -1.48 0.39 0.00 -1.05 0.00 0.00 32.46 31.17 1kjs n ARG 62 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1kjs n ALA 63 N -1.63 3.66 0.00 2.89 0.00 0.15 -4.39 120.51 121.19 1kjs n ALA 63 Ca 0.02 -1.86 0.00 0.00 0.00 0.00 0.00 53.44 51.60 1kjs n ALA 63 Cb 0.36 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1kjs n ALA 63 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1kjs n ASN 64 N 0.71 1.83 0.00 0.00 5.15 -1.19 -4.94 115.26 116.82 1kjs n ASN 64 Ca 0.27 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.25 1kjs n ASN 64 Cb 1.11 0.08 0.00 0.00 -0.53 0.00 0.00 39.78 40.45 1kjs n ASN 64 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1kjs n ILE 65 N -1.61 0.00 0.00 -1.44 -0.00 -1.25 -5.09 119.36 109.97 1kjs n ILE 65 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1kjs n ILE 65 Cb 0.21 -0.10 0.00 0.00 -0.00 0.00 0.00 39.64 39.75 1kjs n ILE 65 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 1kjs n SER 66 N 0.00 0.00 0.00 4.38 2.88 -1.26 -4.82 113.62 114.80 1kjs n SER 66 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1kjs n SER 66 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1kjs n SER 66 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1kjs n HIS 67 N 0.00 0.00 -0.29 0.66 -0.00 -1.26 -4.54 115.22 109.79 1kjs n HIS 67 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.79 1kjs n HIS 67 Cb 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 29.99 30.17 1kjs n HIS 67 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 1kjs h LYS 68 N 0.00 0.05 0.52 1.57 1.79 -2.00 1.80 116.57 120.30 1kjs h LYS 68 Ca 0.00 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1kjs h LYS 68 Cb 0.00 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1kjs h LYS 68 CO 0.00 0.03 -0.25 0.22 -1.08 0.00 0.00 179.45 178.37 1kjs h ASP 69 N 0.05 -0.59 0.00 0.86 1.82 -1.92 0.86 116.42 117.49 1kjs h ASP 69 Ca 0.46 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 57.07 1kjs h ASP 69 Cb 0.82 0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.98 1kjs h ASP 69 CO -0.79 -0.34 0.00 0.80 -1.61 0.00 0.00 179.24 177.30 1kjs n MET 70 N -5.35 0.00 -0.42 0.28 1.56 0.07 0.24 117.12 113.50 1kjs n MET 70 Ca -0.12 0.43 0.36 0.00 -0.27 0.00 0.00 57.70 58.11 1kjs n MET 70 Cb 0.31 -1.15 0.63 0.00 2.15 0.00 0.00 33.22 35.16 1kjs n MET 70 CO 0.00 0.00 0.00 0.37 -0.73 0.00 0.00 175.97 175.61 1kjs h GLN 71 N 0.00 0.07 0.00 2.12 4.15 0.25 0.46 115.11 122.16 1kjs h GLN 71 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1kjs h GLN 71 Cb 0.00 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.67 1kjs h GLN 71 CO 0.00 0.05 0.00 1.28 -1.93 0.00 0.00 178.83 178.23 1kjs n LEU 72 N -4.82 0.00 -0.29 -2.39 4.32 0.14 -4.57 117.00 109.39 1kjs n LEU 72 Ca 0.38 0.00 0.34 0.00 -0.02 0.00 0.00 56.01 56.70 1kjs n LEU 72 Cb 1.41 -0.13 0.63 0.00 -1.62 0.00 0.00 43.42 43.71 1kjs n LEU 72 CO 0.16 -0.23 1.31 1.23 -1.22 0.00 0.00 177.39 178.64 1kjs h GLY 73 N 0.00 0.00 0.00 -0.72 0.00 1.96 -3.31 103.07 100.99 1kjs h GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1kjs h GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08