#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 0.39 -0.22 1.43 10.64 -1.26 -4.80 117.38 123.57 1nti n GLN 2 Ca 0.00 -0.70 0.03 0.00 -1.83 0.00 0.00 57.00 54.50 1nti n GLN 2 Cb 0.00 -0.86 0.14 0.00 -0.86 0.00 0.00 30.24 28.65 1nti n GLN 2 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1nti h ALA 3 N 0.00 0.81 -0.51 2.61 0.00 -2.04 0.18 119.26 120.31 1nti h ALA 3 Ca 0.00 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1nti h ALA 3 Cb 0.33 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1nti h ALA 3 CO 0.00 -0.31 0.34 1.05 0.00 0.00 0.00 179.25 180.33 1nti h GLU 4 N 0.27 0.47 0.01 0.00 9.09 -1.98 0.26 114.58 122.69 1nti h GLU 4 Ca 0.36 -0.03 -0.00 0.00 0.05 0.00 0.00 59.36 59.74 1nti h GLU 4 Cb 0.56 -0.11 0.00 0.00 -1.65 0.00 0.00 28.75 27.56 1nti h GLU 4 CO -0.45 0.31 -0.01 0.35 0.05 0.00 0.00 179.01 179.26 1nti h PHE 5 N 0.48 -0.02 -0.24 2.06 3.04 -1.10 -0.12 116.94 121.04 1nti h PHE 5 Ca 0.22 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.23 1nti h PHE 5 Cb 0.25 0.01 -0.07 0.00 2.56 0.00 0.00 35.95 38.70 1nti h PHE 5 CO -0.00 0.77 -0.23 -0.44 -2.02 0.00 0.00 178.31 176.39 1nti h ASP 6 N -0.88 -0.73 -0.30 0.41 3.32 -0.52 0.45 116.42 118.17 1nti h ASP 6 Ca -0.00 0.14 0.07 0.00 0.02 0.00 0.00 57.03 57.25 1nti h ASP 6 Cb 0.79 0.35 -0.08 0.00 0.22 0.00 0.00 39.33 40.61 1nti h ASP 6 CO 0.00 -0.27 -0.27 0.50 -1.72 0.00 0.00 179.24 177.49 1nti h LYS 7 N -0.23 -0.24 -0.31 3.56 1.63 -0.55 0.31 116.57 120.73 1nti h LYS 7 Ca 0.14 0.02 0.06 0.00 -0.85 0.00 0.00 60.65 60.02 1nti h LYS 7 Cb 0.44 0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 32.07 1nti h LYS 7 CO -0.38 -0.16 -0.06 0.00 -3.45 0.00 0.00 179.45 175.40 1nti h ALA 8 N 0.79 0.23 -0.52 5.00 0.00 0.14 0.17 119.26 125.07 1nti h ALA 8 Ca 0.15 0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.26 1nti h ALA 8 Cb 0.49 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 1nti h ALA 8 CO -0.44 -0.45 0.13 0.00 0.00 0.00 0.00 179.25 178.48 1nti h ALA 9 N 1.30 0.60 -0.29 0.00 0.00 0.12 0.29 119.26 121.28 1nti h ALA 9 Ca 0.15 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1nti h ALA 9 Cb 0.22 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1nti h ALA 9 CO -0.30 -0.28 -0.03 1.49 0.00 0.00 0.00 179.25 180.12 1nti h GLU 10 N 0.27 0.54 -0.24 0.00 4.81 0.02 -1.79 114.58 118.20 1nti h GLU 10 Ca 0.26 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1nti h GLU 10 Cb 0.34 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1nti h GLU 10 CO -0.32 0.72 0.01 0.93 -0.73 0.00 0.00 179.01 179.62 1nti h GLU 11 N 0.32 0.41 -0.02 1.92 5.08 0.10 -2.68 114.58 119.71 1nti h GLU 11 Ca 0.08 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1nti h GLU 11 Cb 0.49 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1nti h GLU 11 CO 0.02 0.58 -0.05 -0.24 -1.00 0.00 0.00 179.01 178.32 1nti h VAL 12 N 0.19 0.85 0.00 3.13 3.04 -0.44 0.27 116.25 123.28 1nti h VAL 12 Ca 0.07 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.76 1nti h VAL 12 Cb 0.39 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 1nti h VAL 12 CO 0.01 0.00 0.00 0.29 -1.01 0.00 0.00 177.57 176.86 1nti n LYS 13 N -5.17 0.00 -0.09 4.17 5.02 -0.68 -0.43 118.16 120.98 1nti n LYS 13 Ca -0.06 0.17 0.04 0.00 -2.02 0.00 0.00 58.31 56.44 1nti n LYS 13 Cb 0.10 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.66 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 -1.17 0.00 -1.76 2.13 -0.00 0.80 -5.06 115.22 110.17 1nti n HIS 14 Ca 0.00 -0.57 -0.40 0.00 -0.00 0.00 0.00 57.72 56.75 1nti n HIS 14 Cb 0.00 -0.08 0.03 0.00 -0.00 0.00 0.00 29.99 29.93 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 -0.74 5.23 -0.14 0.27 4.77 0.43 -4.88 117.00 121.93 1nti n LEU 15 Ca 0.06 1.08 -0.05 0.00 -0.03 0.00 0.00 56.01 57.07 1nti n LEU 15 Cb 0.49 -1.59 0.04 0.00 -2.33 0.00 0.00 43.42 40.02 1nti n LEU 15 CO 0.00 -0.30 0.99 0.50 -1.33 0.00 0.00 177.39 177.26 1nti h LYS 16 N 2.02 0.41 -6.11 3.23 3.64 -1.81 -3.43 116.57 114.51 1nti h LYS 16 Ca -0.51 -0.02 -0.52 0.00 -1.27 0.00 0.00 60.65 58.32 1nti h LYS 16 Cb 1.28 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.95 1nti h LYS 16 CO 0.60 0.27 -0.48 0.99 -2.27 0.00 0.00 179.45 178.56 1nti s THR 17 N -6.14 3.01 -0.33 1.00 2.01 -1.26 -5.05 115.64 108.88 1nti s THR 17 Ca -0.13 -1.54 -0.14 0.00 0.31 0.00 0.00 61.69 60.18 1nti s THR 17 Cb 0.13 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.58 1nti s THR 17 CO 0.73 -0.13 0.31 -0.54 -0.69 0.00 0.00 174.62 174.30 1nti s LYS 18 N -3.94 3.63 0.10 4.92 -0.14 -1.26 -5.00 119.74 118.04 1nti s LYS 18 Ca 0.41 -0.42 -0.02 0.00 -1.36 0.00 0.00 55.97 54.58 1nti s LYS 18 Cb -0.03 -3.77 0.02 0.00 -1.68 0.00 0.00 37.83 32.37 1nti s LYS 18 CO 0.25 -0.44 0.08 -2.30 -0.76 0.00 0.00 175.35 172.18 1nti n PRO 19 N 5.27 -1.33 -3.74 -1.68 -0.02 -1.26 -5.07 135.00 127.17 1nti n PRO 19 Ca -0.10 -0.13 -0.30 0.00 -2.02 0.00 0.00 63.50 60.95 1nti n PRO 19 Cb 0.50 -0.13 -0.04 0.00 -0.02 0.00 0.00 33.50 33.81 1nti n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nti s ALA 20 N -2.85 3.86 0.26 3.55 0.00 -1.26 -4.94 121.76 120.38 1nti s ALA 20 Ca 0.05 -0.74 -0.09 0.00 0.00 0.00 0.00 51.96 51.19 1nti s ALA 20 Cb -0.01 -2.00 0.41 0.00 0.00 0.00 0.00 23.12 21.53 1nti s ALA 20 CO 0.04 0.61 1.58 -0.44 0.00 0.00 0.00 175.76 177.56 1nti h ASP 21 N 2.55 -0.78 -0.22 0.00 5.19 -1.98 0.93 116.42 122.11 1nti h ASP 21 Ca -0.47 0.26 0.03 0.00 -0.62 0.00 0.00 57.03 56.24 1nti h ASP 21 Cb 1.17 0.53 -0.03 0.00 0.18 0.00 0.00 39.33 41.19 1nti h ASP 21 CO 0.71 -0.29 0.02 -0.33 -3.12 0.00 0.00 179.24 176.24 1nti h GLU 22 N 0.01 0.10 -0.39 3.56 3.07 -1.98 0.29 114.58 119.23 1nti h GLU 22 Ca 0.43 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 59.24 1nti h GLU 22 Cb 0.69 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.56 1nti h GLU 22 CO -0.90 0.06 0.04 0.93 -1.40 0.00 0.00 179.01 177.75 1nti h GLU 23 N 0.10 0.67 -0.53 2.33 4.39 -1.55 0.34 114.58 120.33 1nti h GLU 23 Ca 0.10 -0.19 0.10 0.00 0.34 0.00 0.00 59.36 59.71 1nti h GLU 23 Cb 0.11 -0.07 -0.11 0.00 -0.10 0.00 0.00 28.75 28.58 1nti h GLU 23 CO -0.15 0.74 -0.24 0.52 -1.16 0.00 0.00 179.01 178.72 1nti h MET 24 N 0.51 -0.11 -0.34 2.33 2.86 -0.11 0.44 114.93 120.50 1nti h MET 24 Ca 0.12 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1nti h MET 24 Cb 0.41 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 1nti h MET 24 CO 0.01 -0.07 0.18 -0.07 1.06 0.00 0.00 176.91 178.02 1nti h LEU 25 N -0.11 0.28 -0.48 1.22 3.38 0.00 0.32 115.31 119.91 1nti h LEU 25 Ca 0.24 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1nti h LEU 25 Cb 0.49 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1nti h LEU 25 CO -0.60 0.20 0.30 0.15 0.09 0.00 0.00 178.44 178.59 1nti h PHE 26 N 0.37 0.62 0.00 1.13 3.04 0.14 0.85 116.94 123.09 1nti h PHE 26 Ca 0.14 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.10 1nti h PHE 26 Cb 0.04 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.34 1nti h PHE 26 CO -0.09 0.41 0.00 -0.89 -2.02 0.00 0.00 178.31 175.72 1nti n ILE 27 N -4.73 0.00 -0.03 1.41 2.08 0.14 -0.26 119.36 117.97 1nti n ILE 27 Ca 0.02 0.74 -0.01 0.00 0.56 0.00 0.00 62.75 64.06 1nti n ILE 27 Cb 0.04 -1.63 -0.01 0.00 -0.75 0.00 0.00 39.64 37.29 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 -0.32 -0.03 0.37 1.39 9.36 0.11 0.24 117.16 128.28 1nti n TYR 28 Ca 0.00 0.09 -0.16 0.00 3.32 0.00 0.00 57.90 61.15 1nti n TYR 28 Cb 0.00 -0.50 -0.08 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 -0.95 0.00 2.98 4.64 -0.80 -0.64 113.55 118.78 1nti h SER 29 Ca 0.01 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1nti h SER 29 Cb 0.03 0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1nti h SER 29 CO -0.07 -0.62 -0.00 0.45 -0.87 0.00 0.00 176.83 175.72 1nti h HIS 30 N -1.00 0.00 -0.09 4.77 3.86 0.20 0.12 115.15 123.01 1nti h HIS 30 Ca -0.09 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.09 1nti h HIS 30 Cb 0.79 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.25 1nti h HIS 30 CO -0.02 0.00 -0.04 -0.92 0.86 0.00 0.00 177.93 177.82 1nti h TYR 31 N 0.00 0.21 0.27 2.45 3.20 0.03 0.29 116.97 123.43 1nti h TYR 31 Ca -0.00 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 1nti h TYR 31 Cb 0.01 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.23 1nti h TYR 31 CO 0.00 0.54 -0.13 0.87 -1.64 0.00 0.00 178.16 177.80 1nti h LYS 32 N -0.17 -0.36 -0.59 1.82 1.79 -0.29 0.52 116.57 119.30 1nti h LYS 32 Ca 0.02 0.02 0.09 0.00 -2.18 0.00 0.00 60.65 58.60 1nti h LYS 32 Cb 0.48 0.08 -0.07 0.00 -1.58 0.00 0.00 32.23 31.14 1nti h LYS 32 CO 0.01 -0.11 0.22 1.96 -1.08 0.00 0.00 179.45 180.45 1nti h GLN 33 N -0.56 0.39 0.01 3.15 1.08 -0.76 0.33 115.11 118.75 1nti h GLN 33 Ca -0.04 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1nti h GLN 33 Cb 0.41 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1nti h GLN 33 CO 0.06 0.26 -0.01 0.00 -0.95 0.00 0.00 178.83 178.19 1nti h ALA 34 N 1.40 -0.01 0.05 3.87 0.00 -0.25 -2.16 119.26 122.16 1nti h ALA 34 Ca 0.29 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.96 1nti h ALA 34 Cb 0.35 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1nti h ALA 34 CO -0.29 -0.50 -1.09 1.79 0.00 0.00 0.00 179.25 179.15 1nti h THR 35 N -0.03 1.63 0.00 0.00 1.35 -0.62 -3.44 112.91 111.81 1nti h THR 35 Ca -0.00 -3.28 0.00 0.00 -0.55 0.00 0.00 66.41 62.57 1nti h THR 35 Cb 0.02 2.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 1nti h THR 35 CO 0.00 0.95 0.00 0.52 -0.25 0.00 0.00 175.52 176.74 1nti n VAL 36 N -3.42 0.00 0.00 6.82 0.31 0.11 -5.08 118.33 117.06 1nti n VAL 36 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1nti n VAL 36 Cb 0.97 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 1nti n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nti n GLY 37 N 3.82 0.39 3.47 2.92 0.00 -0.81 -4.81 105.19 110.17 1nti n GLY 37 Ca 0.00 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.51 -4.63 1.61 8.00 -0.90 -3.74 116.55 115.38 1nti n ASP 38 Ca 0.00 0.32 -0.41 0.00 0.71 0.00 0.00 54.79 55.42 1nti n ASP 38 Cb 0.00 -1.26 -0.06 0.00 -0.02 0.00 0.00 41.12 39.78 1nti n ASP 38 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1nti s ILE 39 N -2.45 4.93 -0.11 0.53 2.07 -1.26 -4.91 121.20 120.01 1nti s ILE 39 Ca 0.59 1.25 0.15 0.00 -1.41 0.00 0.00 60.65 61.24 1nti s ILE 39 Cb -0.21 -4.00 0.23 0.00 0.13 0.00 0.00 42.46 38.61 1nti s ILE 39 CO 0.65 -0.02 1.12 -0.46 -1.91 0.00 0.00 174.94 174.32 1nti n ASN 40 N 5.82 2.11 -4.90 4.50 6.94 -1.26 -5.02 115.26 123.46 1nti n ASN 40 Ca 0.01 -2.87 -0.25 0.00 -0.02 0.00 0.00 54.58 51.45 1nti n ASN 40 Cb 0.48 -0.36 -0.04 0.00 -2.36 0.00 0.00 39.78 37.51 1nti n ASN 40 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1nti s THR 41 N -2.43 5.00 -0.29 5.53 -4.23 -1.26 -5.03 115.64 112.92 1nti s THR 41 Ca 0.26 -0.92 -0.28 0.00 -1.18 0.00 0.00 61.69 59.57 1nti s THR 41 Cb 0.23 -3.61 -0.06 0.00 1.34 0.00 0.00 72.50 70.40 1nti s THR 41 CO 0.02 -0.17 2.28 -0.62 -0.54 0.00 0.00 174.62 175.60 1nti n GLU 42 N -0.72 1.70 -2.03 3.99 1.02 -1.26 -4.91 120.64 118.43 1nti n GLU 42 Ca -0.08 0.39 -0.42 0.00 -0.02 0.00 0.00 57.16 57.03 1nti n GLU 42 Cb 0.55 -3.27 -0.03 0.00 -0.02 0.00 0.00 31.44 28.67 1nti n GLU 42 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1nti s ARG 43 N 6.87 4.27 0.00 3.49 3.52 -1.26 -4.77 118.95 131.07 1nti s ARG 43 Ca 1.01 2.27 0.00 0.00 -0.13 0.00 0.00 55.73 58.87 1nti s ARG 43 Cb -0.31 -3.15 0.00 0.00 -1.56 0.00 0.00 34.95 29.93 1nti s ARG 43 CO 0.33 -0.46 0.00 -2.30 -0.81 0.00 0.00 175.30 172.06 1nti n PRO 44 N 3.09 0.00 0.00 5.12 -0.02 -1.26 -4.42 135.00 137.51 1nti n PRO 44 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1nti n PRO 44 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.88 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 -0.04 0.00 0.00 -1.23 0.00 -1.26 -3.38 105.19 99.28 1nti n GLY 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nti n GLY 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nti n MET 46 N 0.00 0.00 -2.91 1.61 2.81 -1.26 -4.95 117.12 112.42 1nti n MET 46 Ca 0.00 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.46 1nti n MET 46 Cb 0.00 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.52 1nti n MET 46 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1nti n LEU 47 N 0.00 6.53 -4.82 4.03 0.00 -1.22 -5.07 117.00 116.45 1nti n LEU 47 Ca 0.00 -5.17 -0.22 0.00 0.00 0.00 0.00 56.01 50.62 1nti n LEU 47 Cb 0.00 -1.29 -0.04 0.00 0.00 0.00 0.00 43.42 42.09 1nti n LEU 47 CO 0.00 1.69 -0.17 -0.62 0.00 0.00 0.00 177.39 178.29 1nti s ASP 48 N -1.51 5.45 0.00 1.96 2.15 -1.25 -4.95 116.67 118.52 1nti s ASP 48 Ca 0.32 -0.30 0.00 0.00 0.43 0.00 0.00 52.55 53.01 1nti s ASP 48 Cb 0.06 -1.33 0.00 0.00 -0.30 0.00 0.00 42.92 41.35 1nti s ASP 48 CO 0.09 -0.07 0.00 0.49 -0.17 0.00 0.00 175.17 175.50 1nti n PHE 49 N -1.19 0.00 -0.17 -5.34 3.72 -1.26 -4.91 117.46 108.32 1nti n PHE 49 Ca -0.07 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.32 1nti n PHE 49 Cb 0.58 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.13 1nti n PHE 49 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1nti n LYS 50 N -1.45 -0.12 0.00 -1.08 4.76 -1.26 -4.65 118.16 114.36 1nti n LYS 50 Ca 0.00 0.67 0.00 0.00 -2.87 0.00 0.00 58.31 56.11 1nti n LYS 50 Cb 0.00 -0.99 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 1nti n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nti n GLY 51 N -1.19 0.81 0.13 0.72 0.00 -1.26 -4.83 105.19 99.58 1nti n GLY 51 Ca 0.04 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1nti n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nti n LYS 52 N 0.00 -0.03 0.27 1.61 4.01 -1.26 0.19 118.16 122.95 1nti n LYS 52 Ca 0.00 0.57 -0.11 0.00 -0.51 0.00 0.00 58.31 58.26 1nti n LYS 52 Cb 0.00 -1.01 -0.05 0.00 -0.51 0.00 0.00 35.03 33.46 1nti n LYS 52 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1nti h ALA 53 N 0.82 -1.15 -0.97 7.82 0.00 -1.97 0.83 119.26 124.64 1nti h ALA 53 Ca 0.34 -0.15 0.19 0.00 0.00 0.00 0.00 54.91 55.28 1nti h ALA 53 Cb 0.88 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 1nti h ALA 53 CO -0.32 -1.10 0.61 0.87 0.00 0.00 0.00 179.25 179.31 1nti h LYS 54 N -0.71 0.64 0.83 0.00 6.56 0.17 0.40 116.57 124.46 1nti h LYS 54 Ca -0.07 -0.04 -0.04 0.00 -1.06 0.00 0.00 60.65 59.44 1nti h LYS 54 Cb 0.53 -0.14 0.01 0.00 -0.57 0.00 0.00 32.23 32.05 1nti h LYS 54 CO 0.12 0.42 -0.40 2.35 -2.06 0.00 0.00 179.45 179.88 1nti h TRP 55 N 0.66 -1.04 -0.68 -1.35 7.01 -1.03 -0.57 115.95 118.95 1nti h TRP 55 Ca 0.53 -0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.60 1nti h TRP 55 Cb 0.96 0.34 -0.07 0.00 -2.10 0.00 0.00 29.16 28.29 1nti h TRP 55 CO -0.00 -0.65 0.32 -0.44 -2.79 0.00 0.00 178.44 174.88 1nti h ASP 56 N -1.25 0.41 -0.82 2.65 3.32 -0.23 0.27 116.42 120.78 1nti h ASP 56 Ca -0.11 0.06 0.10 0.00 0.02 0.00 0.00 57.03 57.09 1nti h ASP 56 Cb 0.86 -0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.35 1nti h ASP 56 CO 0.19 0.24 0.53 0.00 -1.72 0.00 0.00 179.24 178.47 1nti h ALA 57 N 1.42 1.74 0.02 3.45 0.00 -0.13 0.38 119.26 126.15 1nti h ALA 57 Ca 0.34 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1nti h ALA 57 Cb 0.36 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1nti h ALA 57 CO -0.27 0.10 -0.22 2.35 0.00 0.00 0.00 179.25 181.20 1nti h TRP 58 N 0.76 0.18 -0.89 0.00 7.01 0.78 -3.30 115.95 120.49 1nti h TRP 58 Ca 0.38 -0.11 0.21 0.00 2.11 0.00 0.00 58.89 61.48 1nti h TRP 58 Cb 0.44 -0.01 -0.12 0.00 -2.10 0.00 0.00 29.16 27.36 1nti h TRP 58 CO -0.00 1.00 0.40 -0.97 -2.79 0.00 0.00 178.44 176.08 1nti h ASN 59 N -0.70 0.34 -1.01 2.65 -1.24 0.78 0.37 115.58 116.78 1nti h ASN 59 Ca -0.03 0.15 0.25 0.00 0.71 0.00 0.00 56.30 57.38 1nti h ASN 59 Cb 1.08 0.13 -0.08 0.00 0.73 0.00 0.00 38.32 40.18 1nti h ASN 59 CO 0.04 0.01 0.66 -0.08 -1.29 0.00 0.00 177.43 176.78 1nti h GLU 60 N 0.42 0.35 -0.02 6.67 4.81 -0.38 0.43 114.58 126.85 1nti h GLU 60 Ca 0.55 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 1nti h GLU 60 Cb 1.03 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1nti h GLU 60 CO -0.52 0.23 -0.03 1.28 -0.73 0.00 0.00 179.01 179.24 1nti n LEU 61 N -4.55 2.24 -0.05 1.64 4.77 0.12 -4.79 117.00 116.38 1nti n LEU 61 Ca 0.23 -0.75 0.03 0.00 -0.03 0.00 0.00 56.01 55.50 1nti n LEU 61 Cb 0.86 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 42.00 1nti n LEU 61 CO 0.28 0.38 0.13 1.17 -1.33 0.00 0.00 177.39 178.02 1nti n LYS 62 N 0.71 -0.01 -0.83 3.23 4.81 0.15 0.84 118.16 127.05 1nti n LYS 62 Ca 0.16 0.21 -0.06 0.00 -0.87 0.00 0.00 58.31 57.75 1nti n LYS 62 Cb 0.48 -0.36 0.20 0.00 0.02 0.00 0.00 35.03 35.38 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 -1.06 4.80 3.55 3.14 0.00 -1.26 -2.13 105.19 112.23 1nti n GLY 63 Ca 0.04 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.23 3.77 -0.22 2.61 2.01 0.25 -4.93 115.64 115.89 1nti s THR 64 Ca 0.46 0.04 -0.37 0.00 0.31 0.00 0.00 61.69 62.13 1nti s THR 64 Cb 0.41 -4.93 -0.17 0.00 0.01 0.00 0.00 72.50 67.82 1nti s THR 64 CO 0.02 -1.85 1.15 -1.20 -0.69 0.00 0.00 174.62 172.04 1nti n SER 65 N 9.35 0.53 -0.21 3.53 7.64 -1.26 -4.59 113.62 128.61 1nti n SER 65 Ca 0.13 1.01 0.08 0.00 1.01 0.00 0.00 58.87 61.09 1nti n SER 65 Cb 0.50 -0.77 0.16 0.00 -1.01 0.00 0.00 64.21 63.09 1nti n SER 65 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1nti n LYS 66 N 2.39 -0.05 -0.10 1.43 2.85 -1.26 0.01 118.16 123.43 1nti n LYS 66 Ca 0.22 0.92 -0.06 0.00 -1.05 0.00 0.00 58.31 58.34 1nti n LYS 66 Cb 0.01 -1.45 0.01 0.00 -0.65 0.00 0.00 35.03 32.95 1nti n LYS 66 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1nti h GLU 67 N 0.00 0.23 -0.03 -1.58 4.39 -1.87 0.38 114.58 116.10 1nti h GLU 67 Ca 0.35 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.06 1nti h GLU 67 Cb 0.70 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1nti h GLU 67 CO -0.59 0.16 -0.09 -0.44 -1.16 0.00 0.00 179.01 176.89 1nti h ASP 68 N 0.24 -0.26 0.60 1.42 5.19 -0.72 0.43 116.42 123.32 1nti h ASP 68 Ca 0.16 0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.59 1nti h ASP 68 Cb 0.15 0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.78 1nti h ASP 68 CO -0.18 -0.12 -0.33 0.00 -3.12 0.00 0.00 179.24 175.48 1nti h ALA 69 N 0.88 -0.87 -0.64 3.45 0.00 -1.35 0.24 119.26 120.97 1nti h ALA 69 Ca 0.05 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.84 1nti h ALA 69 Cb 0.20 0.38 -0.10 0.00 0.00 0.00 0.00 17.79 18.27 1nti h ALA 69 CO -0.11 -1.00 -0.56 0.52 0.00 0.00 0.00 179.25 178.10 1nti h MET 70 N -0.86 -0.23 0.87 0.00 2.86 0.02 0.27 114.93 117.86 1nti h MET 70 Ca -0.08 0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1nti h MET 70 Cb 0.68 0.05 0.01 0.00 0.06 0.00 0.00 31.60 32.40 1nti h MET 70 CO 0.10 -0.15 -0.42 0.87 1.06 0.00 0.00 176.91 178.37 1nti h LYS 71 N -0.24 -1.13 -0.94 1.72 1.57 -0.82 0.73 116.57 117.47 1nti h LYS 71 Ca 0.12 0.08 0.20 0.00 -1.87 0.00 0.00 60.65 59.17 1nti h LYS 71 Cb 0.53 0.26 -0.11 0.00 0.08 0.00 0.00 32.23 32.98 1nti h LYS 71 CO -0.73 -0.75 0.51 0.00 -0.57 0.00 0.00 179.45 177.91 1nti h ALA 72 N -1.20 1.53 0.62 3.86 0.00 -0.23 0.40 119.26 124.25 1nti h ALA 72 Ca -0.12 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1nti h ALA 72 Cb 0.90 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.70 1nti h ALA 72 CO 0.20 -0.17 -0.30 -0.92 0.00 0.00 0.00 179.25 178.06 1nti h TYR 73 N 0.61 -0.78 -0.77 0.00 5.03 -0.31 0.12 116.97 120.87 1nti h TYR 73 Ca 0.56 -0.02 0.13 0.00 2.58 0.00 0.00 58.73 61.97 1nti h TYR 73 Cb 0.93 0.26 -0.13 0.00 1.55 0.00 0.00 36.73 39.33 1nti h TYR 73 CO -0.06 -0.48 -0.35 0.82 -1.32 0.00 0.00 178.16 176.77 1nti h ILE 74 N -0.86 0.10 0.11 1.81 1.08 0.12 0.83 117.51 120.70 1nti h ILE 74 Ca -0.09 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.38 1nti h ILE 74 Cb 0.65 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.50 1nti h ILE 74 CO 0.14 0.00 -0.12 0.44 -0.69 0.00 0.00 178.15 177.92 1nti h ASP 75 N -0.09 -0.34 -0.72 1.72 5.19 -0.90 0.19 116.42 121.47 1nti h ASP 75 Ca 0.29 0.03 0.13 0.00 -0.62 0.00 0.00 57.03 56.85 1nti h ASP 75 Cb 0.57 0.12 -0.13 0.00 0.18 0.00 0.00 39.33 40.07 1nti h ASP 75 CO -0.81 -0.16 -0.24 1.17 -3.12 0.00 0.00 179.24 176.08 1nti n LYS 76 N -3.06 -0.12 0.03 3.56 3.00 0.38 0.13 118.16 122.07 1nti n LYS 76 Ca -0.03 1.11 -0.13 0.00 -0.00 0.00 0.00 58.31 59.27 1nti n LYS 76 Cb 0.11 -1.66 -0.08 0.00 0.00 0.00 0.00 35.03 33.40 1nti n LYS 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1nti h VAL 77 N 0.00 1.14 -0.63 3.15 2.07 -0.61 0.78 116.25 122.16 1nti h VAL 77 Ca 0.29 -0.53 0.12 0.00 0.82 0.00 0.00 66.70 67.40 1nti h VAL 77 Cb 0.47 1.50 -0.12 0.00 -1.52 0.00 0.00 31.29 31.62 1nti h VAL 77 CO -0.73 0.14 -0.28 -0.33 0.02 0.00 0.00 177.57 176.39 1nti h GLU 78 N -0.27 -0.10 0.39 1.57 4.39 0.42 0.27 114.58 121.24 1nti h GLU 78 Ca -0.00 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1nti h GLU 78 Cb 0.25 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1nti h GLU 78 CO 0.01 -0.07 -0.37 0.93 -1.16 0.00 0.00 179.01 178.35 1nti h GLU 79 N -0.11 -0.73 -0.86 2.33 3.07 -0.26 -1.29 114.58 116.73 1nti h GLU 79 Ca 0.27 0.05 0.10 0.00 -0.50 0.00 0.00 59.36 59.28 1nti h GLU 79 Cb 0.54 0.16 -0.12 0.00 -0.84 0.00 0.00 28.75 28.49 1nti h GLU 79 CO -0.69 -0.48 -0.51 -0.07 -1.40 0.00 0.00 179.01 175.86 1nti h LEU 80 N -0.75 -1.84 -0.48 1.33 3.38 0.81 0.25 115.31 118.01 1nti h LEU 80 Ca -0.05 0.30 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1nti h LEU 80 Cb 0.65 0.84 -0.02 0.00 0.09 0.00 0.00 40.66 42.21 1nti h LEU 80 CO -0.03 -0.28 0.26 0.50 0.09 0.00 0.00 178.44 178.97 1nti h LYS 81 N -0.08 0.67 -0.44 1.13 3.64 -0.48 0.52 116.57 121.53 1nti h LYS 81 Ca 0.20 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1nti h LYS 81 Cb 0.50 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1nti h LYS 81 CO -0.87 0.53 0.29 0.87 -2.27 0.00 0.00 179.45 178.00 1nti h LYS 82 N 0.63 0.51 0.05 1.90 1.79 0.14 0.19 116.57 121.78 1nti h LYS 82 Ca 0.17 -0.03 -0.33 0.00 -2.18 0.00 0.00 60.65 58.28 1nti h LYS 82 Cb 0.06 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.56 1nti h LYS 82 CO -0.03 0.34 -1.81 1.17 -1.08 0.00 0.00 179.45 178.04 1nti n LYS 83 N -4.48 0.65 -0.03 3.15 3.00 0.70 -4.59 118.16 116.56 1nti n LYS 83 Ca 0.04 0.38 -0.09 0.00 -0.00 0.00 0.00 58.31 58.64 1nti n LYS 83 Cb 0.11 -1.68 -0.14 0.00 0.00 0.00 0.00 35.03 33.32 1nti n LYS 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1nti n TYR 84 N -3.93 0.93 0.00 5.64 4.01 0.18 -5.08 117.16 118.91 1nti n TYR 84 Ca -0.36 0.33 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1nti n TYR 84 Cb 0.88 -1.17 0.00 0.00 -0.31 0.00 0.00 39.34 38.74 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 1.58 -0.05 0.00 2.72 0.00 0.67 -4.05 105.19 106.06 1nti n GLY 85 Ca -0.18 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1nti n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83