#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jy6 s GLN 2 N 0.00 3.52 0.24 3.17 -1.52 -1.26 -0.50 119.66 123.31 2jy6 s GLN 2 Ca 0.00 -0.33 -0.11 0.00 -1.95 0.00 0.00 55.36 52.97 2jy6 s GLN 2 Cb 0.00 -2.84 -0.01 0.00 -0.22 0.00 0.00 33.01 29.94 2jy6 s GLN 2 CO 0.00 0.40 0.43 0.96 -0.25 0.00 0.00 175.29 176.84 2jy6 s ILE 3 N -1.86 0.00 -0.03 1.08 -4.36 -0.10 -1.19 121.20 114.74 2jy6 s ILE 3 Ca 0.39 -1.48 0.06 0.00 -0.26 0.00 0.00 60.65 59.35 2jy6 s ILE 3 Cb -0.11 -2.24 -0.01 0.00 1.25 0.00 0.00 42.46 41.35 2jy6 s ILE 3 CO 0.29 -0.00 -0.19 -0.36 0.24 0.00 0.00 174.94 174.91 2jy6 s PHE 4 N -4.03 1.81 -0.25 1.37 0.08 -0.17 -1.98 117.98 114.81 2jy6 s PHE 4 Ca 0.24 -0.42 0.02 0.00 0.12 0.00 0.00 56.93 56.90 2jy6 s PHE 4 Cb 0.00 -1.19 0.06 0.00 -0.57 0.00 0.00 43.02 41.33 2jy6 s PHE 4 CO 0.09 -0.09 -0.09 0.08 -0.10 0.00 0.00 175.22 175.12 2jy6 s VAL 5 N -0.28 1.96 -0.21 -0.44 1.01 0.12 0.73 120.40 123.29 2jy6 s VAL 5 Ca 0.03 -1.52 -0.04 0.00 0.00 0.00 0.00 61.98 60.45 2jy6 s VAL 5 Cb -0.09 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 2jy6 s VAL 5 CO 0.01 -0.07 -0.04 -0.75 0.00 0.00 0.00 175.10 174.25 2jy6 s LYS 6 N 1.19 3.42 0.57 2.72 2.20 0.50 -0.05 119.74 130.29 2jy6 s LYS 6 Ca -0.07 -0.61 -0.05 0.00 -0.36 0.00 0.00 55.97 54.87 2jy6 s LYS 6 Cb -0.20 -3.01 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 2jy6 s LYS 6 CO -0.06 -0.15 0.87 0.95 -0.36 0.00 0.00 175.35 176.60 2jy6 s THR 7 N 1.38 3.82 0.29 3.43 -4.23 0.39 -1.46 115.64 119.25 2jy6 s THR 7 Ca 0.05 -0.02 0.37 0.00 -1.18 0.00 0.00 61.69 60.91 2jy6 s THR 7 Cb -0.14 -3.50 0.41 0.00 1.34 0.00 0.00 72.50 70.61 2jy6 s THR 7 CO -0.02 -0.49 2.12 0.17 -0.54 0.00 0.00 174.62 175.85 2jy6 h LEU 8 N -0.08 0.00 0.00 4.79 8.10 -1.87 -1.45 115.31 124.80 2jy6 h LEU 8 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.53 2jy6 h LEU 8 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.47 2jy6 h LEU 8 CO 0.60 0.00 0.00 0.41 -4.11 0.00 0.00 178.44 175.34 2jy6 n THR 9 N -3.05 0.12 -0.41 0.15 -1.04 -1.26 -4.87 114.28 103.91 2jy6 n THR 9 Ca -0.01 0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2jy6 n THR 9 Cb 0.21 -0.59 0.00 0.00 -1.82 0.00 0.00 70.33 68.14 2jy6 n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jy6 n GLY 10 N 0.99 0.81 3.84 3.41 0.00 -0.55 -5.07 105.19 108.62 2jy6 n GLY 10 Ca 0.13 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 2jy6 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jy6 s LYS 11 N -0.88 3.77 -0.21 1.61 2.20 -1.24 -4.91 119.74 120.09 2jy6 s LYS 11 Ca 0.00 0.16 0.01 0.00 -0.36 0.00 0.00 55.97 55.78 2jy6 s LYS 11 Cb 0.00 -3.23 0.05 0.00 -1.51 0.00 0.00 37.83 33.13 2jy6 s LYS 11 CO 0.00 0.67 -0.10 0.99 -0.36 0.00 0.00 175.35 176.55 2jy6 s THR 12 N -0.87 1.66 -0.08 3.43 2.01 -1.26 -0.46 115.64 120.08 2jy6 s THR 12 Ca 0.19 -1.08 0.04 0.00 0.31 0.00 0.00 61.69 61.15 2jy6 s THR 12 Cb -0.14 -1.77 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 2jy6 s THR 12 CO 0.09 0.12 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.30 2jy6 s ILE 13 N 1.37 2.49 -0.19 1.82 1.01 0.93 -4.94 121.20 123.70 2jy6 s ILE 13 Ca -0.02 -0.90 -0.16 0.00 0.00 0.00 0.00 60.65 59.57 2jy6 s ILE 13 Cb -0.17 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 2jy6 s ILE 13 CO -0.08 0.56 0.39 -0.89 0.00 0.00 0.00 174.94 174.93 2jy6 s THR 14 N -0.12 5.21 0.22 2.92 2.01 -1.26 0.15 115.64 124.77 2jy6 s THR 14 Ca -0.03 0.71 0.02 0.00 0.31 0.00 0.00 61.69 62.69 2jy6 s THR 14 Cb -0.14 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 2jy6 s THR 14 CO 0.04 0.28 0.05 -0.76 -0.69 0.00 0.00 174.62 173.53 2jy6 s LEU 15 N 1.14 1.88 -0.03 4.42 1.02 -0.84 -5.00 118.68 121.27 2jy6 s LEU 15 Ca 0.19 -1.28 0.06 0.00 0.02 0.00 0.00 54.13 53.12 2jy6 s LEU 15 Cb -0.15 -0.04 -0.02 0.00 0.02 0.00 0.00 46.19 46.00 2jy6 s LEU 15 CO 0.08 -0.64 -0.22 -0.70 0.02 0.00 0.00 176.35 174.88 2jy6 s GLU 16 N -3.97 2.28 0.31 1.70 2.12 -1.26 -0.92 118.70 118.95 2jy6 s GLU 16 Ca 0.31 -0.86 -0.06 0.00 0.36 0.00 0.00 54.97 54.73 2jy6 s GLU 16 Cb 0.07 -2.16 0.00 0.00 0.26 0.00 0.00 34.13 32.30 2jy6 s GLU 16 CO 0.09 0.56 0.47 0.14 -0.54 0.00 0.00 175.26 175.98 2jy6 s VAL 17 N -0.59 0.00 0.23 3.70 -7.23 0.34 -4.97 120.40 111.88 2jy6 s VAL 17 Ca 0.09 -1.54 0.11 0.00 -1.81 0.00 0.00 61.98 58.83 2jy6 s VAL 17 Cb -0.11 -2.52 -0.05 0.00 0.56 0.00 0.00 36.38 34.26 2jy6 s VAL 17 CO -0.00 0.00 -0.20 -1.61 -0.31 0.00 0.00 175.10 172.98 2jy6 s GLU 18 N -3.35 1.54 0.55 4.82 0.41 -1.26 0.40 118.70 121.81 2jy6 s GLU 18 Ca 0.28 -1.64 0.23 0.00 -0.41 0.00 0.00 54.97 53.43 2jy6 s GLU 18 Cb -0.00 -1.64 1.52 0.00 -1.78 0.00 0.00 34.13 32.23 2jy6 s GLU 18 CO 0.16 0.32 2.16 -1.35 -0.49 0.00 0.00 175.26 176.06 2jy6 h PRO 19 N 2.66 0.00 -0.63 0.39 0.11 -1.96 -0.40 132.00 132.16 2jy6 h PRO 19 Ca -0.42 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 2jy6 h PRO 19 Cb 1.24 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 2jy6 h PRO 19 CO 0.56 0.00 0.06 -1.13 -0.21 0.00 0.00 178.00 177.28 2jy6 n SER 20 N -4.19 5.42 -4.76 -2.05 3.41 -1.26 -3.61 113.62 106.58 2jy6 n SER 20 Ca -0.01 -2.96 -0.39 0.00 -0.26 0.00 0.00 58.87 55.25 2jy6 n SER 20 Cb 0.17 -0.70 -0.06 0.00 -0.26 0.00 0.00 64.21 63.37 2jy6 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2jy6 s ASP 21 N -0.79 7.54 0.30 4.04 1.01 -0.16 -4.89 116.67 123.72 2jy6 s ASP 21 Ca 0.53 1.97 -0.17 0.00 0.71 0.00 0.00 52.55 55.59 2jy6 s ASP 21 Cb 0.41 -2.61 -0.09 0.00 1.01 0.00 0.00 42.92 41.64 2jy6 s ASP 21 CO 0.15 0.07 0.74 -0.89 0.21 0.00 0.00 175.17 175.46 2jy6 s THR 22 N -1.26 4.63 0.23 -1.27 2.01 -1.26 -1.27 115.64 117.44 2jy6 s THR 22 Ca 0.43 1.07 -0.07 0.00 0.31 0.00 0.00 61.69 63.44 2jy6 s THR 22 Cb -0.25 -3.68 0.18 0.00 0.01 0.00 0.00 72.50 68.75 2jy6 s THR 22 CO 0.32 -0.07 1.80 0.40 -0.69 0.00 0.00 174.62 176.37 2jy6 h ILE 23 N 2.19 0.92 -0.54 1.82 1.08 -1.21 -0.69 117.51 121.07 2jy6 h ILE 23 Ca -0.48 -0.24 -0.04 0.00 -0.39 0.00 0.00 64.86 63.71 2jy6 h ILE 23 Cb 1.18 0.15 -0.03 0.00 -3.07 0.00 0.00 36.82 35.06 2jy6 h ILE 23 CO 0.65 0.13 0.16 -0.08 -0.69 0.00 0.00 178.15 178.32 2jy6 h GLU 24 N 0.70 0.82 -0.72 2.37 4.81 -1.79 -1.76 114.58 119.02 2jy6 h GLU 24 Ca 0.35 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 2jy6 h GLU 24 Cb 0.29 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 2jy6 h GLU 24 CO -0.23 0.72 0.30 -0.97 -0.73 0.00 0.00 179.01 178.10 2jy6 h ASN 25 N 0.79 0.97 -0.26 1.04 -1.24 -1.51 -1.21 115.58 114.17 2jy6 h ASN 25 Ca 0.18 -0.14 -0.03 0.00 0.71 0.00 0.00 56.30 57.03 2jy6 h ASN 25 Cb 0.25 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 2jy6 h ASN 25 CO -0.01 0.86 0.05 0.58 -1.29 0.00 0.00 177.43 177.62 2jy6 h VAL 26 N 1.04 1.22 -0.88 2.57 2.07 -0.79 -2.57 116.25 118.91 2jy6 h VAL 26 Ca 0.24 -0.74 0.15 0.00 0.82 0.00 0.00 66.70 67.17 2jy6 h VAL 26 Cb 0.18 1.20 -0.09 0.00 -1.52 0.00 0.00 31.29 31.06 2jy6 h VAL 26 CO -0.02 0.24 0.48 0.11 0.02 0.00 0.00 177.57 178.39 2jy6 h LYS 27 N 0.25 0.66 -0.76 1.57 1.57 -0.81 -0.28 116.57 118.77 2jy6 h LYS 27 Ca 0.08 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2jy6 h LYS 27 Cb 0.31 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 2jy6 h LYS 27 CO 0.00 0.44 0.43 0.00 -0.57 0.00 0.00 179.45 179.75 2jy6 h ALA 28 N 1.56 0.98 -0.34 3.86 0.00 -0.95 0.12 119.26 124.48 2jy6 h ALA 28 Ca 0.48 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 2jy6 h ALA 28 Cb 0.65 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2jy6 h ALA 28 CO -0.35 0.48 0.21 0.87 0.00 0.00 0.00 179.25 180.46 2jy6 h LYS 29 N 1.05 0.46 -0.93 0.00 1.57 -0.72 -0.21 116.57 117.79 2jy6 h LYS 29 Ca 0.27 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 2jy6 h LYS 29 Cb 0.01 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 2jy6 h LYS 29 CO -0.05 0.34 0.55 0.82 -0.57 0.00 0.00 179.45 180.54 2jy6 h ILE 30 N 0.45 1.26 -0.45 1.86 2.04 -0.70 -0.09 117.51 121.88 2jy6 h ILE 30 Ca 0.12 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 2jy6 h ILE 30 Cb -0.01 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.00 2jy6 h ILE 30 CO -0.02 0.28 0.18 -0.61 0.00 0.00 0.00 178.15 177.97 2jy6 h GLN 31 N 1.29 0.64 -0.06 2.37 4.15 -0.18 0.20 115.11 123.53 2jy6 h GLN 31 Ca 0.33 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.63 2jy6 h GLN 31 Cb -0.03 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.54 2jy6 h GLN 31 CO -0.06 0.53 -0.13 0.22 -1.93 0.00 0.00 178.83 177.46 2jy6 h ASP 32 N 0.63 0.21 0.68 -0.69 1.82 -0.22 -1.00 116.42 117.86 2jy6 h ASP 32 Ca 0.16 -0.58 -0.03 0.00 -0.39 0.00 0.00 57.03 56.18 2jy6 h ASP 32 Cb 0.13 -0.06 0.01 0.00 0.68 0.00 0.00 39.33 40.08 2jy6 h ASP 32 CO -0.02 0.75 -0.33 0.11 -1.61 0.00 0.00 179.24 178.15 2jy6 h LYS 33 N -0.32 -0.88 0.00 0.28 1.57 -0.75 -3.39 116.57 113.08 2jy6 h LYS 33 Ca 0.00 0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 2jy6 h LYS 33 Cb 0.72 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 2jy6 h LYS 33 CO 0.03 -0.58 -0.40 0.93 -0.57 0.00 0.00 179.45 178.86 2jy6 h GLU 34 N -1.23 0.00 0.00 3.15 4.39 -0.76 -3.49 114.58 116.64 2jy6 h GLU 34 Ca -0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.61 2jy6 h GLU 34 Cb 0.70 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 2jy6 h GLU 34 CO 0.15 0.37 0.00 0.41 -1.16 0.00 0.00 179.01 178.78 2jy6 n GLY 35 N 1.63 0.98 3.69 -3.84 0.00 -0.38 -5.02 105.19 102.26 2jy6 n GLY 35 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2jy6 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jy6 s ILE 36 N -1.61 3.75 0.35 -0.61 1.01 -1.26 -4.93 121.20 117.89 2jy6 s ILE 36 Ca 0.00 1.15 -0.28 0.00 0.00 0.00 0.00 60.65 61.52 2jy6 s ILE 36 Cb 0.00 -3.74 -0.12 0.00 0.01 0.00 0.00 42.46 38.61 2jy6 s ILE 36 CO 0.00 0.01 1.35 -2.65 0.00 0.00 0.00 174.94 173.66 2jy6 n PRO 37 N 5.10 2.28 0.17 2.79 -0.02 -1.26 -4.04 135.00 140.02 2jy6 n PRO 37 Ca 0.12 0.80 0.18 0.00 -2.02 0.00 0.00 63.50 62.59 2jy6 n PRO 37 Cb 0.44 -2.43 0.80 0.00 -0.02 0.00 0.00 33.50 32.29 2jy6 n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2jy6 h PRO 38 N 2.74 0.00 0.00 0.52 0.11 -1.94 0.12 132.00 133.56 2jy6 h PRO 38 Ca -0.47 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 2jy6 h PRO 38 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 2jy6 h PRO 38 CO 0.64 0.00 -0.17 0.22 -0.21 0.00 0.00 178.00 178.47 2jy6 h ASP 39 N 0.00 0.00 -0.29 -2.05 3.58 -1.98 -2.51 116.42 113.17 2jy6 h ASP 39 Ca 0.12 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.57 2jy6 h ASP 39 Cb 0.72 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2jy6 h ASP 39 CO -0.00 0.17 0.00 0.00 -2.88 0.00 0.00 179.24 176.53 2jy6 n GLN 40 N -3.29 2.31 -3.90 0.28 6.02 0.40 -4.89 117.38 114.32 2jy6 n GLN 40 Ca 0.01 -1.97 -0.35 0.00 -0.01 0.00 0.00 57.00 54.68 2jy6 n GLN 40 Cb 0.43 -1.48 -0.09 0.00 1.02 0.00 0.00 30.24 30.12 2jy6 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2jy6 s GLN 41 N -1.64 4.06 -0.07 -1.09 -0.21 -0.95 -4.15 119.66 115.61 2jy6 s GLN 41 Ca 0.36 -0.30 0.04 0.00 0.02 0.00 0.00 55.36 55.48 2jy6 s GLN 41 Cb 0.21 -3.30 0.00 0.00 1.00 0.00 0.00 33.01 30.93 2jy6 s GLN 41 CO 0.30 0.28 -0.18 1.03 -2.12 0.00 0.00 175.29 174.60 2jy6 s ARG 42 N 0.37 2.25 -0.25 2.91 0.52 -0.04 -4.99 118.95 119.73 2jy6 s ARG 42 Ca 0.05 -0.66 -0.05 0.00 -0.52 0.00 0.00 55.73 54.55 2jy6 s ARG 42 Cb -0.12 -1.81 -0.01 0.00 0.52 0.00 0.00 34.95 33.54 2jy6 s ARG 42 CO -0.01 0.16 0.02 -0.51 0.02 0.00 0.00 175.30 174.97 2jy6 s LEU 43 N 0.35 3.31 -0.21 2.53 1.43 -1.26 0.55 118.68 125.38 2jy6 s LEU 43 Ca -0.13 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.46 2jy6 s LEU 43 Cb -0.15 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 2jy6 s LEU 43 CO 0.05 -0.08 -0.06 -0.63 0.23 0.00 0.00 176.35 175.86 2jy6 s ILE 44 N 1.50 3.25 -0.20 -0.59 1.09 0.57 0.42 121.20 127.25 2jy6 s ILE 44 Ca 0.05 -0.53 -0.00 0.00 -1.10 0.00 0.00 60.65 59.06 2jy6 s ILE 44 Cb -0.15 -2.47 0.05 0.00 -1.06 0.00 0.00 42.46 38.83 2jy6 s ILE 44 CO -0.00 0.44 -0.04 0.12 -0.10 0.00 0.00 174.94 175.36 2jy6 s PHE 45 N 1.42 1.89 -1.39 3.97 5.36 0.80 -1.05 117.98 128.98 2jy6 s PHE 45 Ca 0.05 -1.34 -0.07 0.00 -0.96 0.00 0.00 56.93 54.60 2jy6 s PHE 45 Cb -0.14 -1.38 0.04 0.00 -0.34 0.00 0.00 43.02 41.19 2jy6 s PHE 45 CO -0.04 -0.69 0.96 0.00 -1.46 0.00 0.00 175.22 174.00 2jy6 n ALA 46 N 4.82 -1.57 -0.97 11.12 0.00 -1.26 -1.07 120.51 131.58 2jy6 n ALA 46 Ca -0.11 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2jy6 n ALA 46 Cb 0.46 -3.84 0.00 0.00 0.00 0.00 0.00 19.45 16.07 2jy6 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jy6 n GLY 47 N -1.67 0.78 3.34 0.00 0.00 -1.26 -5.00 105.19 101.37 2jy6 n GLY 47 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 2jy6 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jy6 s LYS 48 N -0.12 3.39 -0.21 1.61 1.02 -0.23 -5.08 119.74 120.10 2jy6 s LYS 48 Ca 0.00 -0.65 -0.29 0.00 0.02 0.00 0.00 55.97 55.05 2jy6 s LYS 48 Cb 0.00 -2.82 0.01 0.00 -0.52 0.00 0.00 37.83 34.49 2jy6 s LYS 48 CO 0.00 0.01 1.04 -1.14 -0.92 0.00 0.00 175.35 174.34 2jy6 s GLN 49 N 0.91 4.28 -0.21 1.68 0.74 -1.26 -0.14 119.66 125.66 2jy6 s GLN 49 Ca -0.02 1.37 -0.28 0.00 0.05 0.00 0.00 55.36 56.48 2jy6 s GLN 49 Cb -0.15 -3.63 0.00 0.00 1.10 0.00 0.00 33.01 30.34 2jy6 s GLN 49 CO 0.00 -0.59 0.98 -0.51 -0.55 0.00 0.00 175.29 174.62 2jy6 s LEU 50 N 3.06 4.12 0.38 3.68 1.43 0.17 -4.98 118.68 126.53 2jy6 s LEU 50 Ca 0.45 1.31 -0.21 0.00 -1.03 0.00 0.00 54.13 54.64 2jy6 s LEU 50 Cb -0.15 -3.45 -0.10 0.00 0.03 0.00 0.00 46.19 42.52 2jy6 s LEU 50 CO 0.08 -0.59 0.91 -1.61 0.23 0.00 0.00 176.35 175.36 2jy6 s GLU 51 N 2.92 4.28 0.37 1.70 2.02 -1.26 -4.35 118.70 124.38 2jy6 s GLU 51 Ca 0.42 1.10 0.05 0.00 0.02 0.00 0.00 54.97 56.56 2jy6 s GLU 51 Cb -0.16 -2.38 0.74 0.00 0.10 0.00 0.00 34.13 32.43 2jy6 s GLU 51 CO 0.08 0.08 1.99 -0.44 0.02 0.00 0.00 175.26 177.00 2jy6 h ASP 52 N 2.31 0.64 -0.43 -0.19 5.19 -1.95 -2.46 116.42 119.52 2jy6 h ASP 52 Ca -0.48 -0.01 -0.28 0.00 -0.62 0.00 0.00 57.03 55.64 2jy6 h ASP 52 Cb 1.18 -0.15 -0.13 0.00 0.18 0.00 0.00 39.33 40.42 2jy6 h ASP 52 CO 0.63 0.44 0.36 0.61 -3.12 0.00 0.00 179.24 178.15 2jy6 n GLY 53 N -1.45 3.76 3.33 2.75 0.00 -1.26 -3.54 105.19 108.78 2jy6 n GLY 53 Ca 0.08 -0.88 -0.17 0.00 0.00 0.00 0.00 46.02 45.05 2jy6 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jy6 s ARG 54 N -1.60 1.45 0.41 1.61 1.81 -0.93 -5.06 118.95 116.64 2jy6 s ARG 54 Ca 0.27 -1.79 0.07 0.00 -1.72 0.00 0.00 55.73 52.56 2jy6 s ARG 54 Cb 0.22 -0.29 -0.08 0.00 -0.45 0.00 0.00 34.95 34.35 2jy6 s ARG 54 CO 0.01 -0.31 0.01 0.95 -0.68 0.00 0.00 175.30 175.28 2jy6 s THR 55 N -3.70 1.99 -0.65 0.02 -4.23 -1.26 -0.89 115.64 106.92 2jy6 s THR 55 Ca 0.37 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.09 2jy6 s THR 55 Cb 0.08 -3.00 0.21 0.00 1.34 0.00 0.00 72.50 71.13 2jy6 s THR 55 CO 0.14 -0.00 1.64 0.18 -0.54 0.00 0.00 174.62 176.04 2jy6 n LEU 56 N -0.97 0.46 0.09 4.79 4.77 -0.40 -2.05 117.00 123.70 2jy6 n LEU 56 Ca -0.05 0.61 -0.00 0.00 -0.03 0.00 0.00 56.01 56.54 2jy6 n LEU 56 Cb 0.67 -0.54 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 2jy6 n LEU 56 CO 0.49 -0.45 0.14 0.77 -1.33 0.00 0.00 177.39 177.02 2jy6 h SER 57 N 0.00 0.00 -0.53 -1.43 4.64 -1.82 0.49 113.55 114.91 2jy6 h SER 57 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 2jy6 h SER 57 Cb 0.34 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 2jy6 h SER 57 CO 0.00 0.62 0.15 0.44 -0.87 0.00 0.00 176.83 177.17 2jy6 h ASP 58 N 0.00 0.78 -0.27 4.97 3.32 -1.78 -2.53 116.42 120.92 2jy6 h ASP 58 Ca -0.07 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.77 2jy6 h ASP 58 Cb 1.53 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2jy6 h ASP 58 CO 0.07 0.80 0.00 -1.22 -1.72 0.00 0.00 179.24 177.16 2jy6 n TYR 59 N -4.45 0.34 -3.47 4.55 4.02 -1.25 -4.96 117.16 111.94 2jy6 n TYR 59 Ca 0.02 -0.17 -0.22 0.00 -0.01 0.00 0.00 57.90 57.51 2jy6 n TYR 59 Cb 0.21 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.58 2jy6 n TYR 59 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2jy6 n ASN 60 N 0.93 -6.05 -4.69 7.72 3.02 -0.95 -4.93 115.26 110.30 2jy6 n ASN 60 Ca 0.18 -0.82 -0.41 0.00 -0.03 0.00 0.00 54.58 53.49 2jy6 n ASN 60 Cb 0.47 -4.20 -0.04 0.00 -0.61 0.00 0.00 39.78 35.40 2jy6 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jy6 s ILE 61 N -3.38 4.90 0.91 2.41 1.01 0.15 -5.03 121.20 122.18 2jy6 s ILE 61 Ca 0.42 1.73 -0.15 0.00 0.00 0.00 0.00 60.65 62.66 2jy6 s ILE 61 Cb -0.11 -4.18 0.21 0.00 0.01 0.00 0.00 42.46 38.39 2jy6 s ILE 61 CO 0.81 0.11 1.24 0.00 0.00 0.00 0.00 174.94 177.09 2jy6 n GLN 62 N 4.57 -1.17 -3.23 2.79 3.00 -1.26 -4.89 117.38 117.20 2jy6 n GLN 62 Ca 0.04 -1.98 -0.31 0.00 -0.01 0.00 0.00 57.00 54.74 2jy6 n GLN 62 Cb 0.50 -1.26 -0.05 0.00 0.00 0.00 0.00 30.24 29.43 2jy6 n GLN 62 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2jy6 s LYS 63 N -5.70 3.84 -1.31 -1.09 1.02 -1.26 -4.07 119.74 111.16 2jy6 s LYS 63 Ca 0.71 0.40 -0.08 0.00 0.02 0.00 0.00 55.97 57.02 2jy6 s LYS 63 Cb -0.02 -2.54 0.01 0.00 -0.52 0.00 0.00 37.83 34.76 2jy6 s LYS 63 CO 0.49 0.20 1.03 0.39 -0.92 0.00 0.00 175.35 176.54 2jy6 n GLU 64 N -0.50 -7.04 -2.99 1.68 -0.58 -0.34 -4.99 120.64 105.88 2jy6 n GLU 64 Ca 0.02 0.80 -0.27 0.00 -0.42 0.00 0.00 57.16 57.28 2jy6 n GLU 64 Cb 0.53 -5.68 -0.01 0.00 -0.57 0.00 0.00 31.44 25.71 2jy6 n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2jy6 s SER 65 N -3.20 6.35 -0.33 1.62 0.01 -1.25 -4.88 113.70 112.02 2jy6 s SER 65 Ca 0.51 0.80 -0.06 0.00 1.31 0.00 0.00 55.95 58.52 2jy6 s SER 65 Cb -0.22 -2.19 0.04 0.00 0.21 0.00 0.00 66.02 63.85 2jy6 s SER 65 CO 0.63 -0.40 0.08 -0.89 0.41 0.00 0.00 173.24 173.07 2jy6 s THR 66 N -2.45 3.67 -0.09 1.44 2.01 -1.26 -1.00 115.64 117.97 2jy6 s THR 66 Ca 0.45 -1.11 -0.05 0.00 0.31 0.00 0.00 61.69 61.30 2jy6 s THR 66 Cb -0.10 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 2jy6 s THR 66 CO 0.38 -0.12 0.09 -0.76 -0.69 0.00 0.00 174.62 173.51 2jy6 s LEU 67 N 1.39 4.08 -0.29 4.42 1.02 0.22 -4.78 118.68 124.75 2jy6 s LEU 67 Ca -0.02 0.33 -0.08 0.00 0.02 0.00 0.00 54.13 54.39 2jy6 s LEU 67 Cb -0.19 -2.03 -0.00 0.00 0.02 0.00 0.00 46.19 43.98 2jy6 s LEU 67 CO 0.02 0.38 0.10 -1.00 0.02 0.00 0.00 176.35 175.87 2jy6 s HIS 68 N -1.01 3.14 -0.12 0.29 3.76 -0.21 -0.37 115.29 120.76 2jy6 s HIS 68 Ca 0.16 -0.72 -0.19 0.00 -0.15 0.00 0.00 55.06 54.16 2jy6 s HIS 68 Cb -0.12 -2.28 -0.04 0.00 1.11 0.00 0.00 32.58 31.25 2jy6 s HIS 68 CO 0.05 -0.49 0.51 -1.17 -0.85 0.00 0.00 174.74 172.79 2jy6 s LEU 69 N 1.56 4.27 -0.08 0.89 2.96 -0.53 -0.32 118.68 127.43 2jy6 s LEU 69 Ca 0.04 0.85 0.00 0.00 -0.22 0.00 0.00 54.13 54.81 2jy6 s LEU 69 Cb -0.17 -2.75 -0.03 0.00 0.50 0.00 0.00 46.19 43.74 2jy6 s LEU 69 CO 0.04 -0.04 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.27 2jy6 s VAL 70 N 0.76 3.65 0.14 1.68 1.01 0.19 -2.97 120.40 124.86 2jy6 s VAL 70 Ca 0.27 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.78 2jy6 s VAL 70 Cb -0.15 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.75 2jy6 s VAL 70 CO 0.11 0.58 0.20 0.18 0.00 0.00 0.00 175.10 176.17 2jy6 n LEU 71 N 2.48 0.00 -3.41 3.92 4.77 -1.26 -0.86 117.00 122.64 2jy6 n LEU 71 Ca -0.18 -0.59 -0.19 0.00 -0.03 0.00 0.00 56.01 55.02 2jy6 n LEU 71 Cb 0.53 -0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 2jy6 n LEU 71 CO 0.28 -0.56 -0.19 -0.60 -1.33 0.00 0.00 177.39 174.99 2jy6 s ARG 72 N -2.67 0.33 -1.06 3.23 6.06 -1.26 -4.89 118.95 118.69 2jy6 s ARG 72 Ca 0.15 -0.24 -0.22 0.00 -2.50 0.00 0.00 55.73 52.92 2jy6 s ARG 72 Cb -0.01 -0.72 0.03 0.00 0.06 0.00 0.00 34.95 34.31 2jy6 s ARG 72 CO 0.09 -1.04 1.60 -0.51 -2.50 0.00 0.00 175.30 172.94 2jy6 s LEU 73 N 2.26 3.50 0.44 -0.88 1.43 -1.26 -4.74 118.68 119.42 2jy6 s LEU 73 Ca 0.10 -1.54 0.23 0.00 -1.03 0.00 0.00 54.13 51.89 2jy6 s LEU 73 Cb -0.14 -2.57 0.90 0.00 0.03 0.00 0.00 46.19 44.41 2jy6 s LEU 73 CO -0.31 -1.69 1.82 0.03 0.23 0.00 0.00 176.35 176.43 2jy6 h ARG 74 N 9.58 0.00 -5.99 1.70 3.08 -2.03 -3.42 114.38 117.30 2jy6 h ARG 74 Ca 0.23 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.65 2jy6 h ARG 74 Cb 0.98 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 30.72 2jy6 h ARG 74 CO 1.40 0.24 -0.87 0.20 -1.07 0.00 0.00 179.97 179.87 2jy6 s GLY 75 N -4.29 1.12 0.00 0.04 0.00 -1.26 -5.38 107.32 97.56 2jy6 s GLY 75 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.78 2jy6 s GLY 75 CO 0.64 -0.67 0.00 0.61 0.00 0.00 0.00 173.10 173.68