#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nti n GLN 2 N 0.00 -2.03 0.00 1.43 -0.06 -1.26 -5.01 117.38 110.45 1nti n GLN 2 Ca 0.00 0.69 0.00 0.00 -2.00 0.00 0.00 57.00 55.69 1nti n GLN 2 Cb 0.00 -5.00 0.00 0.00 -4.06 0.00 0.00 30.24 21.18 1nti n GLN 2 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1nti n ALA 3 N -2.21 0.00 0.21 1.69 0.00 -1.26 -4.73 120.51 114.21 1nti n ALA 3 Ca -0.14 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.47 1nti n ALA 3 Cb 0.62 0.00 0.84 0.00 0.00 0.00 0.00 19.45 20.90 1nti n ALA 3 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1nti h GLU 4 N 0.00 0.00 0.23 0.00 4.11 -1.97 0.47 114.58 117.42 1nti h GLU 4 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1nti h GLU 4 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1nti h GLU 4 CO 0.00 0.00 -0.11 0.35 0.07 0.00 0.00 179.01 179.32 1nti h PHE 5 N 0.00 -0.29 -0.31 2.06 3.57 -1.90 0.20 116.94 120.27 1nti h PHE 5 Ca 0.08 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 1nti h PHE 5 Cb 0.45 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1nti h PHE 5 CO 0.00 0.08 -0.02 -0.44 -2.23 0.00 0.00 178.31 175.70 1nti h ASP 6 N -0.91 0.56 -0.53 0.41 3.32 -1.81 0.30 116.42 117.77 1nti h ASP 6 Ca -0.03 -0.33 0.05 0.00 0.02 0.00 0.00 57.03 56.75 1nti h ASP 6 Cb 0.50 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.84 1nti h ASP 6 CO 0.05 0.76 0.25 0.50 -1.72 0.00 0.00 179.24 179.08 1nti h LYS 7 N 0.36 0.47 0.16 3.56 1.63 -0.97 0.63 116.57 122.42 1nti h LYS 7 Ca 0.09 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.86 1nti h LYS 7 Cb 0.48 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 1nti h LYS 7 CO 0.02 0.31 -0.19 0.00 -3.45 0.00 0.00 179.45 176.15 1nti h ALA 8 N 1.30 -0.35 -0.91 5.00 0.00 0.32 0.20 119.26 124.82 1nti h ALA 8 Ca 0.24 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.27 1nti h ALA 8 Cb 0.18 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 1nti h ALA 8 CO -0.19 -0.73 0.59 0.00 0.00 0.00 0.00 179.25 178.92 1nti h ALA 9 N 0.39 1.90 -0.04 0.00 0.00 0.47 0.50 119.26 122.47 1nti h ALA 9 Ca 0.01 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1nti h ALA 9 Cb 0.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1nti h ALA 9 CO -0.06 -0.17 -0.20 1.49 0.00 0.00 0.00 179.25 180.30 1nti h GLU 10 N 0.63 0.21 -0.33 0.00 4.22 0.83 -1.63 114.58 118.51 1nti h GLU 10 Ca 0.47 -0.17 -0.04 0.00 0.08 0.00 0.00 59.36 59.70 1nti h GLU 10 Cb 0.85 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 1nti h GLU 10 CO -0.22 0.83 0.03 0.93 -2.18 0.00 0.00 179.01 178.40 1nti h GLU 11 N -0.35 0.49 0.34 1.92 5.08 0.39 -0.74 114.58 121.71 1nti h GLU 11 Ca -0.01 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1nti h GLU 11 Cb 0.86 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1nti h GLU 11 CO 0.04 0.49 -0.17 -0.24 -1.00 0.00 0.00 179.01 178.14 1nti h VAL 12 N 0.48 0.65 0.00 3.13 3.04 0.12 0.36 116.25 124.02 1nti h VAL 12 Ca 0.11 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.80 1nti h VAL 12 Cb 0.26 0.65 0.00 0.00 -2.01 0.00 0.00 31.29 30.19 1nti h VAL 12 CO 0.00 0.00 0.03 0.29 -1.01 0.00 0.00 177.57 176.88 1nti n LYS 13 N -5.30 0.00 -0.00 4.17 5.02 -0.32 -0.87 118.16 120.87 1nti n LYS 13 Ca -0.10 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1nti n LYS 13 Cb 0.21 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1nti n LYS 13 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1nti n HIS 14 N -1.13 0.00 -1.47 2.13 -0.00 0.10 -5.09 115.22 109.77 1nti n HIS 14 Ca 0.00 -0.40 -0.36 0.00 -0.00 0.00 0.00 57.72 56.96 1nti n HIS 14 Cb 0.03 -0.04 0.09 0.00 -0.00 0.00 0.00 29.99 30.07 1nti n HIS 14 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1nti n LEU 15 N -0.41 5.15 -0.18 0.27 4.77 0.17 -4.85 117.00 121.93 1nti n LEU 15 Ca 0.00 0.73 0.22 0.00 -0.03 0.00 0.00 56.01 56.93 1nti n LEU 15 Cb 0.30 -1.52 0.61 0.00 -2.33 0.00 0.00 43.42 40.49 1nti n LEU 15 CO 0.00 -1.38 1.23 0.50 -1.33 0.00 0.00 177.39 176.41 1nti h LYS 16 N -0.06 0.20 0.00 3.23 1.63 -1.83 -3.44 116.57 116.29 1nti h LYS 16 Ca -0.49 -0.01 -0.32 0.00 -0.85 0.00 0.00 60.65 58.98 1nti h LYS 16 Cb 1.33 -0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 32.83 1nti h LYS 16 CO 0.50 0.13 -0.29 2.41 -3.45 0.00 0.00 179.45 178.75 1nti n THR 17 N -4.41 0.00 -3.59 1.00 -1.04 -1.26 -5.08 114.28 99.91 1nti n THR 17 Ca 0.17 -1.72 -0.38 0.00 -2.04 0.00 0.00 64.05 60.08 1nti n THR 17 Cb 0.76 0.91 -0.11 0.00 -1.82 0.00 0.00 70.33 70.07 1nti n THR 17 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1nti s LYS 18 N -2.92 3.98 1.04 -2.82 -2.85 -1.26 -5.04 119.74 109.88 1nti s LYS 18 Ca 0.28 -0.28 -0.12 0.00 -1.00 0.00 0.00 55.97 54.86 1nti s LYS 18 Cb 0.01 -3.63 0.22 0.00 -2.06 0.00 0.00 37.83 32.36 1nti s LYS 18 CO 0.20 -0.13 1.08 -2.14 0.10 0.00 0.00 175.35 174.45 1nti s PRO 19 N 1.62 0.02 0.79 1.78 0.02 -1.26 -4.99 135.00 132.98 1nti s PRO 19 Ca 0.08 1.08 -0.11 0.00 0.02 0.00 0.00 61.00 62.07 1nti s PRO 19 Cb -0.15 -1.64 0.07 0.00 0.02 0.00 0.00 34.50 32.79 1nti s PRO 19 CO 0.09 -3.17 1.09 0.00 -0.33 0.00 0.00 177.00 174.69 1nti s ALA 20 N -2.59 2.22 0.05 -1.55 0.00 -1.26 -4.57 121.76 114.06 1nti s ALA 20 Ca 0.67 -0.10 -0.09 0.00 0.00 0.00 0.00 51.96 52.43 1nti s ALA 20 Cb -0.23 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1nti s ALA 20 CO 0.61 -1.74 0.75 -0.25 0.00 0.00 0.00 175.76 175.13 1nti n ASP 21 N -3.46 -0.32 0.04 0.00 9.92 -1.26 -0.54 116.55 120.94 1nti n ASP 21 Ca 0.07 0.82 -0.16 0.00 -0.53 0.00 0.00 54.79 55.00 1nti n ASP 21 Cb 0.55 -0.21 -0.10 0.00 -0.64 0.00 0.00 41.12 40.73 1nti n ASP 21 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1nti h GLU 22 N 0.00 -0.63 -0.59 -1.24 5.08 -1.98 0.30 114.58 115.52 1nti h GLU 22 Ca 0.05 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.56 1nti h GLU 22 Cb 0.12 0.14 -0.11 0.00 0.50 0.00 0.00 28.75 29.40 1nti h GLU 22 CO -0.28 -0.42 -0.33 0.93 -1.00 0.00 0.00 179.01 177.91 1nti h GLU 23 N -0.65 -0.15 -0.29 2.33 4.39 -1.15 0.19 114.58 119.25 1nti h GLU 23 Ca 0.02 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.78 1nti h GLU 23 Cb 0.71 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.34 1nti h GLU 23 CO -0.37 -0.10 -0.07 0.52 -1.16 0.00 0.00 179.01 177.82 1nti h MET 24 N -0.16 -0.00 0.04 2.33 2.86 -0.16 0.51 114.93 120.35 1nti h MET 24 Ca 0.23 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.90 1nti h MET 24 Cb 0.55 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.17 1nti h MET 24 CO -0.68 -0.00 -0.22 -0.07 1.06 0.00 0.00 176.91 177.00 1nti h LEU 25 N -0.00 -0.63 0.26 1.22 3.38 0.14 0.48 115.31 120.16 1nti h LEU 25 Ca 0.14 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.20 1nti h LEU 25 Cb 0.22 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1nti h LEU 25 CO -0.30 -0.29 -0.37 0.15 0.09 0.00 0.00 178.44 177.71 1nti h PHE 26 N -0.37 -1.02 0.00 1.13 3.04 -0.36 0.14 116.94 119.50 1nti h PHE 26 Ca 0.05 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1nti h PHE 26 Cb 0.43 0.41 0.00 0.00 2.56 0.00 0.00 35.95 39.35 1nti h PHE 26 CO -0.24 -0.50 0.00 -0.89 -2.02 0.00 0.00 178.31 174.66 1nti n ILE 27 N -5.46 0.00 -0.16 1.41 2.08 0.14 -0.66 119.36 116.71 1nti n ILE 27 Ca -0.09 1.09 -0.04 0.00 0.56 0.00 0.00 62.75 64.28 1nti n ILE 27 Cb 0.37 -1.91 -0.04 0.00 -0.75 0.00 0.00 39.64 37.30 1nti n ILE 27 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1nti n TYR 28 N -1.00 -0.17 0.16 1.39 9.36 0.17 0.27 117.16 127.33 1nti n TYR 28 Ca 0.00 0.48 -0.14 0.00 3.32 0.00 0.00 57.90 61.57 1nti n TYR 28 Cb 0.00 -0.52 -0.07 0.00 -0.63 0.00 0.00 39.34 38.13 1nti n TYR 28 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1nti h SER 29 N 0.00 -0.83 0.39 2.98 4.64 -0.61 0.40 113.55 120.53 1nti h SER 29 Ca 0.06 0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.44 1nti h SER 29 Cb 0.16 0.30 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1nti h SER 29 CO -0.36 -0.41 -0.14 0.45 -0.87 0.00 0.00 176.83 175.50 1nti h HIS 30 N -0.58 0.00 0.02 4.77 3.86 0.12 0.75 115.15 124.10 1nti h HIS 30 Ca 0.01 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.14 1nti h HIS 30 Cb 0.56 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.04 1nti h HIS 30 CO -0.22 0.14 -0.33 -0.92 0.86 0.00 0.00 177.93 177.46 1nti h TYR 31 N 0.00 0.30 -0.23 2.45 5.03 0.48 -0.18 116.97 124.82 1nti h TYR 31 Ca -0.00 -0.17 -0.00 0.00 2.58 0.00 0.00 58.73 61.13 1nti h TYR 31 Cb 0.38 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.61 1nti h TYR 31 CO 0.00 1.01 0.13 0.87 -1.32 0.00 0.00 178.16 178.85 1nti h LYS 32 N -0.50 0.33 -0.78 1.82 1.79 -0.45 0.13 116.57 118.91 1nti h LYS 32 Ca -0.05 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1nti h LYS 32 Cb 1.11 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 31.66 1nti h LYS 32 CO 0.06 0.30 0.47 0.37 -1.08 0.00 0.00 179.45 179.57 1nti h GLN 33 N 0.27 1.05 -0.50 3.15 5.75 -0.91 0.67 115.11 124.60 1nti h GLN 33 Ca 0.08 -0.09 0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1nti h GLN 33 Cb 0.06 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.36 1nti h GLN 33 CO -0.01 0.74 0.30 0.00 -2.65 0.00 0.00 178.83 177.20 1nti h ALA 34 N 1.25 0.64 0.00 3.38 0.00 -0.55 -3.08 119.26 120.90 1nti h ALA 34 Ca 0.28 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.98 1nti h ALA 34 Cb -0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1nti h ALA 34 CO -0.05 -0.01 -1.46 0.25 0.00 0.00 0.00 179.25 177.97 1nti n THR 35 N -4.81 1.50 -0.05 0.00 -2.24 0.40 -4.66 114.28 104.42 1nti n THR 35 Ca 0.03 -0.05 -0.14 0.00 -2.27 0.00 0.00 64.05 61.62 1nti n THR 35 Cb 0.08 -2.14 -0.13 0.00 -2.10 0.00 0.00 70.33 66.04 1nti n THR 35 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1nti h VAL 36 N -1.00 1.72 0.00 2.28 2.07 -0.05 -3.51 116.25 117.76 1nti h VAL 36 Ca -0.30 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.01 1nti h VAL 36 Cb 1.17 3.21 0.00 0.00 -1.52 0.00 0.00 31.29 34.15 1nti h VAL 36 CO -0.18 0.58 0.00 0.61 0.02 0.00 0.00 177.57 178.60 1nti n GLY 37 N 1.43 0.21 3.66 2.17 0.00 0.11 -4.98 105.19 107.79 1nti n GLY 37 Ca -0.10 -1.95 -0.50 0.00 0.00 0.00 0.00 46.02 43.47 1nti n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nti n ASP 38 N 0.00 2.70 -4.75 1.61 9.92 -1.26 -3.73 116.55 121.04 1nti n ASP 38 Ca 0.00 1.07 -0.39 0.00 -0.53 0.00 0.00 54.79 54.93 1nti n ASP 38 Cb 0.00 -1.32 0.03 0.00 -0.64 0.00 0.00 41.12 39.19 1nti n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nti n ILE 39 N 3.71 3.31 0.00 0.53 3.06 -1.26 -4.91 119.36 123.80 1nti n ILE 39 Ca 0.20 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.95 1nti n ILE 39 Cb 0.24 -1.72 0.00 0.00 0.54 0.00 0.00 39.64 38.70 1nti n ILE 39 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1nti n ASN 40 N -0.57 0.00 -3.13 9.51 3.02 -1.26 -4.96 115.26 117.88 1nti n ASN 40 Ca 0.08 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.65 1nti n ASN 40 Cb 0.43 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1nti n ASN 40 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1nti s THR 41 N 0.00 -0.83 -0.07 3.41 -4.23 -1.26 -4.94 115.64 107.72 1nti s THR 41 Ca 0.00 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 60.62 1nti s THR 41 Cb 0.00 -0.28 0.19 0.00 1.34 0.00 0.00 72.50 73.75 1nti s THR 41 CO 0.00 0.00 1.10 -0.62 -0.54 0.00 0.00 174.62 174.56 1nti n GLU 42 N 4.63 0.70 -1.91 3.99 4.71 -1.26 -5.06 120.64 126.43 1nti n GLU 42 Ca 0.09 -1.96 -0.42 0.00 -0.01 0.00 0.00 57.16 54.85 1nti n GLU 42 Cb 0.57 -1.00 -0.03 0.00 -1.01 0.00 0.00 31.44 29.97 1nti n GLU 42 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 1nti s ARG 43 N -1.55 4.18 0.00 3.49 3.52 -1.26 -4.90 118.95 122.43 1nti s ARG 43 Ca 0.20 2.33 0.00 0.00 -0.13 0.00 0.00 55.73 58.12 1nti s ARG 43 Cb 0.18 -3.86 0.00 0.00 -1.56 0.00 0.00 34.95 29.71 1nti s ARG 43 CO -0.00 -0.82 0.00 -2.30 -0.81 0.00 0.00 175.30 171.37 1nti n PRO 44 N 6.57 0.00 0.00 5.12 -0.02 -1.26 -4.66 135.00 140.75 1nti n PRO 44 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1nti n PRO 44 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.89 1nti n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nti n GLY 45 N -0.65 0.83 0.00 -1.23 0.00 -1.26 -4.77 105.19 98.10 1nti n GLY 45 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1nti n GLY 45 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1nti n MET 46 N 0.00 1.97 -1.41 1.61 0.00 -1.26 -4.93 117.12 113.10 1nti n MET 46 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.70 57.34 1nti n MET 46 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.18 1nti n MET 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1nti n LEU 47 N 0.00 8.15 -3.89 -0.89 7.94 -1.26 -4.80 117.00 122.24 1nti n LEU 47 Ca 0.00 -4.32 -0.38 0.00 -1.11 0.00 0.00 56.01 50.20 1nti n LEU 47 Cb 0.00 -1.49 -0.02 0.00 0.53 0.00 0.00 43.42 42.43 1nti n LEU 47 CO 0.00 2.02 0.73 0.47 -1.11 0.00 0.00 177.39 179.50 1nti n ASP 48 N 2.99 5.38 -0.21 1.96 8.00 -1.26 -4.88 116.55 128.53 1nti n ASP 48 Ca 0.70 -3.36 0.01 0.00 0.71 0.00 0.00 54.79 52.85 1nti n ASP 48 Cb 0.33 -1.09 0.09 0.00 -0.02 0.00 0.00 41.12 40.42 1nti n ASP 48 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1nti h PHE 49 N 5.26 -0.17 -3.55 1.24 -1.00 -2.00 -2.96 116.94 113.77 1nti h PHE 49 Ca 0.19 0.05 -0.52 0.00 2.81 0.00 0.00 57.97 60.51 1nti h PHE 49 Cb 0.67 0.17 -0.00 0.00 3.61 0.00 0.00 35.95 40.40 1nti h PHE 49 CO 0.88 -0.22 0.44 0.15 -1.61 0.00 0.00 178.31 177.95 1nti s LYS 50 N -6.18 4.62 0.00 1.51 1.02 -1.26 -2.85 119.74 116.59 1nti s LYS 50 Ca -0.14 1.64 0.00 0.00 0.02 0.00 0.00 55.97 57.49 1nti s LYS 50 Cb 0.19 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 34.19 1nti s LYS 50 CO 0.74 0.10 0.00 0.41 -0.92 0.00 0.00 175.35 175.68 1nti n GLY 51 N 2.16 2.48 0.14 -3.33 0.00 -1.26 -4.89 105.19 100.49 1nti n GLY 51 Ca 0.03 -0.74 -0.01 0.00 0.00 0.00 0.00 46.02 45.30 1nti n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nti n LYS 52 N 0.00 -0.09 0.50 1.61 3.00 -1.12 0.70 118.16 122.75 1nti n LYS 52 Ca 0.00 0.54 -0.20 0.00 -0.00 0.00 0.00 58.31 58.65 1nti n LYS 52 Cb 0.00 -0.81 -0.10 0.00 0.00 0.00 0.00 35.03 34.13 1nti n LYS 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1nti h ALA 53 N 0.44 -1.26 -0.81 3.14 0.00 -1.89 -0.24 119.26 118.64 1nti h ALA 53 Ca 0.11 -0.28 0.17 0.00 0.00 0.00 0.00 54.91 54.92 1nti h ALA 53 Cb 0.20 0.49 -0.11 0.00 0.00 0.00 0.00 17.79 18.37 1nti h ALA 53 CO -0.35 -1.19 0.30 0.87 0.00 0.00 0.00 179.25 178.88 1nti h LYS 54 N -1.29 0.38 0.61 0.00 6.56 -0.11 0.39 116.57 123.11 1nti h LYS 54 Ca -0.13 -0.02 -0.03 0.00 -1.06 0.00 0.00 60.65 59.41 1nti h LYS 54 Cb 0.97 -0.09 0.01 0.00 -0.57 0.00 0.00 32.23 32.55 1nti h LYS 54 CO 0.21 0.25 -0.29 2.35 -2.06 0.00 0.00 179.45 179.91 1nti h TRP 55 N 0.39 -0.76 -0.91 -1.35 7.01 -0.42 0.10 115.95 120.01 1nti h TRP 55 Ca 0.47 -0.02 0.15 0.00 2.11 0.00 0.00 58.89 61.60 1nti h TRP 55 Cb 0.80 0.25 -0.09 0.00 -2.10 0.00 0.00 29.16 28.02 1nti h TRP 55 CO -0.18 -0.48 0.52 -0.44 -2.79 0.00 0.00 178.44 175.08 1nti h ASP 56 N -1.13 0.69 -0.63 2.65 5.19 -0.78 0.80 116.42 123.21 1nti h ASP 56 Ca -0.08 0.08 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 1nti h ASP 56 Cb 0.63 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 40.07 1nti h ASP 56 CO 0.14 0.31 0.31 0.00 -3.12 0.00 0.00 179.24 176.88 1nti h ALA 57 N 1.56 1.32 0.00 3.45 0.00 -0.17 -0.54 119.26 124.89 1nti h ALA 57 Ca 0.49 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1nti h ALA 57 Cb 0.64 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1nti h ALA 57 CO -0.33 0.53 -0.00 2.35 0.00 0.00 0.00 179.25 181.79 1nti h TRP 58 N 0.92 -0.00 -0.50 0.00 7.01 0.20 -3.36 115.95 120.22 1nti h TRP 58 Ca 0.23 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.28 1nti h TRP 58 Cb 0.10 0.00 -0.06 0.00 -2.10 0.00 0.00 29.16 27.10 1nti h TRP 58 CO 0.01 -0.00 -0.28 -1.71 -2.79 0.00 0.00 178.44 173.67 1nti n ASN 59 N -4.32 -0.50 0.33 2.65 5.15 0.25 0.41 115.26 119.23 1nti n ASN 59 Ca -0.00 0.88 0.07 0.00 -0.60 0.00 0.00 54.58 54.93 1nti n ASN 59 Cb 0.00 -0.13 0.36 0.00 -0.53 0.00 0.00 39.78 39.48 1nti n ASN 59 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1nti h GLU 60 N 0.00 0.00 0.00 1.20 4.39 -1.24 0.17 114.58 119.10 1nti h GLU 60 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1nti h GLU 60 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1nti h GLU 60 CO -0.47 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 178.66 1nti n LEU 61 N -2.65 0.00 -4.53 1.33 4.77 0.17 -4.83 117.00 111.26 1nti n LEU 61 Ca -0.01 0.42 -0.52 0.00 -0.03 0.00 0.00 56.01 55.87 1nti n LEU 61 Cb 0.72 -0.42 -0.07 0.00 -2.33 0.00 0.00 43.42 41.32 1nti n LEU 61 CO 0.06 -0.01 1.66 1.17 -1.33 0.00 0.00 177.39 178.94 1nti n LYS 62 N -1.42 1.22 0.00 3.23 4.81 0.61 -0.21 118.16 126.40 1nti n LYS 62 Ca 0.10 0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 1nti n LYS 62 Cb 0.29 -2.39 0.00 0.00 0.02 0.00 0.00 35.03 32.95 1nti n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nti n GLY 63 N 5.78 1.84 3.87 3.14 0.00 -1.26 -4.99 105.19 113.57 1nti n GLY 63 Ca 0.36 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.08 1nti n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nti s THR 64 N -1.79 4.78 0.19 2.61 2.01 0.71 -5.06 115.64 119.09 1nti s THR 64 Ca 0.00 0.64 -0.30 0.00 0.31 0.00 0.00 61.69 62.34 1nti s THR 64 Cb 0.00 -3.74 -0.08 0.00 0.01 0.00 0.00 72.50 68.69 1nti s THR 64 CO 0.00 -0.56 1.07 -0.55 -0.69 0.00 0.00 174.62 173.90 1nti s SER 65 N -3.21 7.32 0.24 3.53 0.15 -1.26 -4.82 113.70 115.64 1nti s SER 65 Ca 0.51 2.07 -0.06 0.00 0.70 0.00 0.00 55.95 59.17 1nti s SER 65 Cb -0.10 -2.61 0.33 0.00 -1.71 0.00 0.00 66.02 61.93 1nti s SER 65 CO 0.32 -0.17 1.84 0.11 1.20 0.00 0.00 173.24 176.54 1nti h LYS 66 N 4.96 0.88 -0.31 5.44 1.57 -1.83 0.14 116.57 127.42 1nti h LYS 66 Ca -0.44 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.27 1nti h LYS 66 Cb 1.21 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 1nti h LYS 66 CO 0.71 0.59 0.14 0.93 -0.57 0.00 0.00 179.45 181.25 1nti h GLU 67 N 0.91 0.46 -0.39 3.15 5.08 -1.91 0.32 114.58 122.21 1nti h GLU 67 Ca 0.37 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1nti h GLU 67 Cb 0.20 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1nti h GLU 67 CO -0.18 0.46 0.25 -0.44 -1.00 0.00 0.00 179.01 178.09 1nti h ASP 68 N 0.37 0.45 0.18 1.42 5.19 -1.61 0.26 116.42 122.67 1nti h ASP 68 Ca 0.11 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1nti h ASP 68 Cb 0.16 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 1nti h ASP 68 CO -0.01 0.35 -0.17 0.00 -3.12 0.00 0.00 179.24 176.29 1nti h ALA 69 N 1.12 -0.34 -0.06 3.45 0.00 -0.52 0.17 119.26 123.08 1nti h ALA 69 Ca 0.14 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1nti h ALA 69 Cb -0.03 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1nti h ALA 69 CO -0.03 -0.72 -0.53 0.52 0.00 0.00 0.00 179.25 178.49 1nti h MET 70 N -0.37 -0.60 0.02 0.00 2.86 0.47 0.16 114.93 117.46 1nti h MET 70 Ca 0.00 0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1nti h MET 70 Cb 0.35 0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.11 1nti h MET 70 CO -0.04 -0.40 -0.41 0.87 1.06 0.00 0.00 176.91 177.99 1nti h LYS 71 N -0.63 -0.52 -0.66 1.72 1.79 -0.24 0.22 116.57 118.27 1nti h LYS 71 Ca 0.02 0.04 0.13 0.00 -2.18 0.00 0.00 60.65 58.66 1nti h LYS 71 Cb 0.70 0.12 -0.10 0.00 -1.58 0.00 0.00 32.23 31.37 1nti h LYS 71 CO -0.40 -0.34 0.15 0.00 -1.08 0.00 0.00 179.45 177.78 1nti h ALA 72 N -0.70 0.81 0.63 3.86 0.00 -0.50 0.16 119.26 123.51 1nti h ALA 72 Ca 0.01 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1nti h ALA 72 Cb 0.56 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1nti h ALA 72 CO -0.26 -0.31 -0.43 -0.92 0.00 0.00 0.00 179.25 177.33 1nti h TYR 73 N 0.27 -1.15 -0.15 0.00 5.03 -0.09 0.71 116.97 121.59 1nti h TYR 73 Ca 0.36 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.71 1nti h TYR 73 Cb 0.56 0.42 -0.06 0.00 1.55 0.00 0.00 36.73 39.19 1nti h TYR 73 CO -0.25 -0.63 -0.32 0.82 -1.32 0.00 0.00 178.16 176.45 1nti h ILE 74 N -1.01 0.28 -0.99 1.81 2.04 0.47 0.32 117.51 120.43 1nti h ILE 74 Ca -0.08 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.91 1nti h ILE 74 Cb 0.83 0.28 -0.09 0.00 -0.74 0.00 0.00 36.82 37.10 1nti h ILE 74 CO 0.05 0.00 0.62 0.44 0.00 0.00 0.00 178.15 179.26 1nti h ASP 75 N -0.39 0.90 -0.50 1.72 5.19 -0.56 0.32 116.42 123.10 1nti h ASP 75 Ca 0.10 0.05 -0.10 0.00 -0.62 0.00 0.00 57.03 56.46 1nti h ASP 75 Cb 0.55 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.92 1nti h ASP 75 CO -0.37 0.46 -0.09 0.11 -3.12 0.00 0.00 179.24 176.24 1nti h LYS 76 N 0.96 0.94 -0.29 3.56 1.79 0.81 -0.72 116.57 123.61 1nti h LYS 76 Ca 0.50 -0.35 0.01 0.00 -2.18 0.00 0.00 60.65 58.64 1nti h LYS 76 Cb 0.53 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.10 1nti h LYS 76 CO -0.28 1.01 0.17 0.28 -1.08 0.00 0.00 179.45 179.55 1nti h VAL 77 N 0.80 1.04 -0.74 0.50 2.07 0.30 0.02 116.25 120.23 1nti h VAL 77 Ca 0.13 -0.12 0.13 0.00 0.82 0.00 0.00 66.70 67.66 1nti h VAL 77 Cb 0.64 0.65 -0.13 0.00 -1.52 0.00 0.00 31.29 30.93 1nti h VAL 77 CO 0.04 0.06 -0.34 -0.33 0.02 0.00 0.00 177.57 177.03 1nti h GLU 78 N 0.35 -0.09 0.31 1.57 4.39 0.07 0.54 114.58 121.73 1nti h GLU 78 Ca 0.11 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 1nti h GLU 78 Cb -0.01 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 1nti h GLU 78 CO -0.05 -0.06 -0.43 0.93 -1.16 0.00 0.00 179.01 178.24 1nti h GLU 79 N -0.09 -0.74 -1.03 2.33 5.08 0.09 -1.29 114.58 118.92 1nti h GLU 79 Ca 0.28 0.05 0.26 0.00 -1.00 0.00 0.00 59.36 58.96 1nti h GLU 79 Cb 0.57 0.17 -0.09 0.00 0.50 0.00 0.00 28.75 29.89 1nti h GLU 79 CO -0.79 -0.49 0.66 -0.07 -1.00 0.00 0.00 179.01 177.32 1nti h LEU 80 N -0.77 0.46 0.02 1.33 3.38 0.84 0.42 115.31 120.99 1nti h LEU 80 Ca -0.04 0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1nti h LEU 80 Cb 0.70 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.47 1nti h LEU 80 CO -0.12 0.09 -0.44 0.50 0.09 0.00 0.00 178.44 178.57 1nti h LYS 81 N 0.41 0.27 -0.10 1.13 3.64 0.29 0.41 116.57 122.61 1nti h LYS 81 Ca 0.59 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.63 1nti h LYS 81 Cb 1.48 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.38 1nti h LYS 81 CO -0.30 1.04 -0.09 0.87 -2.27 0.00 0.00 179.45 178.69 1nti h LYS 82 N -0.37 0.15 -0.04 1.90 6.56 -0.01 0.16 116.57 124.93 1nti h LYS 82 Ca -0.06 -0.03 -0.06 0.00 -1.06 0.00 0.00 60.65 59.45 1nti h LYS 82 Cb 1.20 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 1nti h LYS 82 CO 0.09 0.26 -0.20 -0.22 -2.06 0.00 0.00 179.45 177.31 1nti h LYS 83 N 0.15 0.20 0.00 3.15 3.64 -0.08 -3.41 116.57 120.22 1nti h LYS 83 Ca 0.03 -0.17 -0.29 0.00 -1.27 0.00 0.00 60.65 58.96 1nti h LYS 83 Cb 0.27 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.07 1nti h LYS 83 CO 0.01 0.82 -2.17 0.66 -2.27 0.00 0.00 179.45 176.50 1nti n TYR 84 N -4.56 0.00 -0.56 1.91 4.01 0.14 -5.06 117.16 113.05 1nti n TYR 84 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1nti n TYR 84 Cb 0.44 -0.83 0.00 0.00 -0.31 0.00 0.00 39.34 38.64 1nti n TYR 84 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nti n GLY 85 N 1.87 -1.78 0.00 2.72 0.00 0.56 -4.67 105.19 103.90 1nti n GLY 85 Ca -0.26 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.81 1nti n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83