#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 3.72 0.19 3.17 -1.52 -1.26 -1.16 119.66 122.80 2jy6 s GLN 2 Ca 0.00 0.15 -0.11 0.00 -1.95 0.00 0.00 55.36 53.46 2jy6 s GLN 2 Cb 0.00 -2.66 -0.00 0.00 -0.22 0.00 0.00 33.01 30.13 2jy6 s GLN 2 CO 0.00 0.28 0.35 0.96 -0.25 0.00 0.00 175.29 176.63 2jy6 s ILE 3 N -1.92 0.04 -0.06 1.08 -4.36 -1.09 -0.33 121.20 114.56 2jy6 s ILE 3 Ca 0.46 -1.34 0.05 0.00 -0.26 0.00 0.00 60.65 59.55 2jy6 s ILE 3 Cb -0.11 -1.93 -0.00 0.00 1.25 0.00 0.00 42.46 41.67 2jy6 s ILE 3 CO 0.25 -0.19 -0.20 -0.36 0.24 0.00 0.00 174.94 174.68 2jy6 s PHE 4 N -3.98 2.07 -0.28 1.37 0.08 -0.03 -3.39 117.98 113.82 2jy6 s PHE 4 Ca 0.19 -0.68 0.01 0.00 0.12 0.00 0.00 56.93 56.57 2jy6 s PHE 4 Cb 0.02 -1.39 0.08 0.00 -0.57 0.00 0.00 43.02 41.16 2jy6 s PHE 4 CO 0.02 -0.24 0.01 0.08 -0.10 0.00 0.00 175.22 174.99 2jy6 s VAL 5 N 0.11 1.51 -0.26 -0.44 1.01 -0.16 0.34 120.40 122.50 2jy6 s VAL 5 Ca -0.08 -1.53 -0.10 0.00 0.00 0.00 0.00 61.98 60.27 2jy6 s VAL 5 Cb -0.14 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 2jy6 s VAL 5 CO 0.04 -0.38 0.15 -0.75 0.00 0.00 0.00 175.10 174.16 2jy6 s LYS 6 N 1.34 3.90 0.88 2.72 2.20 0.13 0.34 119.74 131.25 2jy6 s LYS 6 Ca 0.03 -0.35 -0.12 0.00 -0.36 0.00 0.00 55.97 55.16 2jy6 s LYS 6 Cb -0.18 -3.54 0.12 0.00 -1.51 0.00 0.00 37.83 32.72 2jy6 s LYS 6 CO -0.12 -0.13 1.13 0.95 -0.36 0.00 0.00 175.35 176.82 2jy6 s THR 7 N 1.57 2.25 0.43 3.43 -4.23 0.49 -1.39 115.64 118.18 2jy6 s THR 7 Ca 0.07 0.08 0.28 0.00 -1.18 0.00 0.00 61.69 60.94 2jy6 s THR 7 Cb -0.15 -2.83 0.30 0.00 1.34 0.00 0.00 72.50 71.16 2jy6 s THR 7 CO 0.08 -0.11 2.09 0.25 -0.54 0.00 0.00 174.62 176.40 2jy6 h LEU 8 N -1.40 0.00 -0.51 4.79 5.85 -1.70 -0.72 115.31 121.61 2jy6 h LEU 8 Ca -0.50 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.19 2jy6 h LEU 8 Cb 1.32 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 2jy6 h LEU 8 CO 0.61 0.10 -0.17 0.74 -0.34 0.00 0.00 178.44 179.39 2jy6 h THR 9 N 0.00 0.33 0.00 1.05 2.02 -1.92 -3.47 112.91 110.93 2jy6 h THR 9 Ca -0.00 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 65.95 2jy6 h THR 9 Cb 0.30 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 2jy6 h THR 9 CO 0.01 0.17 0.00 0.61 0.37 0.00 0.00 175.52 176.68 2jy6 n GLY 10 N 0.72 1.34 3.77 2.16 0.00 -0.28 -5.10 105.19 107.81 2jy6 n GLY 10 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.27 4.63 -0.40 1.61 2.20 -1.25 -4.80 119.74 121.46 2jy6 s LYS 11 Ca 0.00 1.25 -0.04 0.00 -0.36 0.00 0.00 55.97 56.82 2jy6 s LYS 11 Cb 0.00 -3.21 0.10 0.00 -1.51 0.00 0.00 37.83 33.21 2jy6 s LYS 11 CO 0.00 0.52 0.19 0.99 -0.36 0.00 0.00 175.35 176.69 2jy6 s THR 12 N -1.22 3.45 -0.26 3.43 2.01 -1.26 -0.38 115.64 121.42 2jy6 s THR 12 Ca 0.39 -1.82 -0.12 0.00 0.31 0.00 0.00 61.69 60.44 2jy6 s THR 12 Cb -0.23 -3.26 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 2jy6 s THR 12 CO 0.27 -0.57 0.26 -0.63 -0.69 0.00 0.00 174.62 173.26 2jy6 s ILE 13 N 1.22 5.27 -0.19 1.82 1.01 0.15 -4.92 121.20 125.57 2jy6 s ILE 13 Ca 0.05 0.34 -0.17 0.00 0.00 0.00 0.00 60.65 60.87 2jy6 s ILE 13 Cb -0.23 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 2jy6 s ILE 13 CO -0.02 0.24 0.46 -0.89 0.00 0.00 0.00 174.94 174.73 2jy6 s THR 14 N 1.66 5.16 0.28 2.92 2.01 -1.26 -0.99 115.64 125.41 2jy6 s THR 14 Ca 0.11 0.85 0.04 0.00 0.31 0.00 0.00 61.69 62.99 2jy6 s THR 14 Cb -0.15 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 2jy6 s THR 14 CO 0.09 0.23 0.20 -0.76 -0.69 0.00 0.00 174.62 173.69 2jy6 s LEU 15 N 1.34 1.53 -0.03 4.42 1.02 -1.22 -5.03 118.68 120.71 2jy6 s LEU 15 Ca 0.22 -1.59 0.07 0.00 0.02 0.00 0.00 54.13 52.85 2jy6 s LEU 15 Cb -0.15 0.42 -0.02 0.00 0.02 0.00 0.00 46.19 46.46 2jy6 s LEU 15 CO 0.09 -0.95 -0.23 -0.70 0.02 0.00 0.00 176.35 174.58 2jy6 s GLU 16 N -3.77 2.06 0.16 1.70 2.12 -1.26 -2.67 118.70 117.03 2jy6 s GLU 16 Ca 0.39 -0.84 -0.11 0.00 0.36 0.00 0.00 54.97 54.77 2jy6 s GLU 16 Cb 0.04 -1.90 0.00 0.00 0.26 0.00 0.00 34.13 32.54 2jy6 s GLU 16 CO 0.20 0.45 0.33 0.14 -0.54 0.00 0.00 175.26 175.85 2jy6 s VAL 17 N -0.41 0.06 0.16 3.70 -7.23 -0.31 -4.96 120.40 111.41 2jy6 s VAL 17 Ca 0.05 -1.19 0.09 0.00 -1.81 0.00 0.00 61.98 59.11 2jy6 s VAL 17 Cb -0.10 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 2jy6 s VAL 17 CO 0.00 -0.29 -0.11 -1.61 -0.31 0.00 0.00 175.10 172.78 2jy6 s GLU 18 N -3.93 2.03 0.16 4.82 0.41 -1.26 0.57 118.70 121.50 2jy6 s GLU 18 Ca 0.13 -1.21 0.10 0.00 -0.41 0.00 0.00 54.97 53.59 2jy6 s GLU 18 Cb 0.02 -2.18 0.56 0.00 -1.78 0.00 0.00 34.13 30.75 2jy6 s GLU 18 CO -0.02 0.46 1.28 -2.30 -0.49 0.00 0.00 175.26 174.19 2jy6 n PRO 19 N 0.28 0.07 -0.40 0.39 -0.02 -1.26 -0.42 135.00 133.64 2jy6 n PRO 19 Ca -0.12 0.54 0.09 0.00 -2.02 0.00 0.00 63.50 61.99 2jy6 n PRO 19 Cb 0.54 -1.77 0.28 0.00 -0.02 0.00 0.00 33.50 32.53 2jy6 n PRO 19 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2jy6 n SER 20 N -1.85 3.91 -4.85 2.55 7.64 -1.26 -4.34 113.62 115.42 2jy6 n SER 20 Ca -0.01 -2.24 -0.31 0.00 1.01 0.00 0.00 58.87 57.32 2jy6 n SER 20 Cb 0.06 -0.45 0.01 0.00 -1.01 0.00 0.00 64.21 62.83 2jy6 n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2jy6 s ASP 21 N -1.06 6.13 0.30 6.43 1.01 0.44 -4.92 116.67 125.00 2jy6 s ASP 21 Ca 0.41 1.51 0.08 0.00 0.71 0.00 0.00 52.55 55.26 2jy6 s ASP 21 Cb 0.25 -2.49 -0.04 0.00 1.01 0.00 0.00 42.92 41.66 2jy6 s ASP 21 CO 0.23 -0.93 0.18 0.42 0.21 0.00 0.00 175.17 175.28 2jy6 s THR 22 N -2.99 3.70 0.21 -1.27 -4.23 -1.26 -2.33 115.64 107.46 2jy6 s THR 22 Ca 0.57 -1.54 -0.09 0.00 -1.18 0.00 0.00 61.69 59.44 2jy6 s THR 22 Cb -0.12 -3.15 0.16 0.00 1.34 0.00 0.00 72.50 70.73 2jy6 s THR 22 CO 0.48 -0.27 1.85 0.40 -0.54 0.00 0.00 174.62 176.55 2jy6 h ILE 23 N 1.50 1.10 -0.69 2.99 1.08 -1.65 -1.95 117.51 119.89 2jy6 h ILE 23 Ca -0.46 -0.31 -0.06 0.00 -0.39 0.00 0.00 64.86 63.65 2jy6 h ILE 23 Cb 1.25 0.12 -0.03 0.00 -3.07 0.00 0.00 36.82 35.09 2jy6 h ILE 23 CO 0.60 0.16 0.20 -0.08 -0.69 0.00 0.00 178.15 178.35 2jy6 h GLU 24 N 0.90 1.08 -1.00 2.37 4.81 -1.83 -2.02 114.58 118.89 2jy6 h GLU 24 Ca 0.29 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2jy6 h GLU 24 Cb 0.02 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.20 2jy6 h GLU 24 CO -0.11 0.94 0.66 -0.97 -0.73 0.00 0.00 179.01 178.81 2jy6 h ASN 25 N 1.02 1.14 -0.31 1.04 -1.24 -1.76 -1.83 115.58 113.63 2jy6 h ASN 25 Ca 0.22 -0.03 -0.06 0.00 0.71 0.00 0.00 56.30 57.14 2jy6 h ASN 25 Cb 0.33 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.08 2jy6 h ASN 25 CO -0.00 0.82 -0.04 0.58 -1.29 0.00 0.00 177.43 177.49 2jy6 h VAL 26 N 1.35 1.27 -1.00 2.57 2.07 -1.10 -2.92 116.25 118.49 2jy6 h VAL 26 Ca 0.37 -1.05 0.15 0.00 0.82 0.00 0.00 66.70 67.00 2jy6 h VAL 26 Cb -0.13 1.32 -0.09 0.00 -1.52 0.00 0.00 31.29 30.87 2jy6 h VAL 26 CO -0.09 0.34 0.62 0.11 0.02 0.00 0.00 177.57 178.57 2jy6 h LYS 27 N 0.36 0.85 -0.46 1.57 1.57 -0.79 -0.71 116.57 118.95 2jy6 h LYS 27 Ca 0.08 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 2jy6 h LYS 27 Cb 0.51 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2jy6 h LYS 27 CO 0.02 0.56 0.13 0.00 -0.57 0.00 0.00 179.45 179.60 2jy6 h ALA 28 N 1.59 0.61 -0.23 3.86 0.00 -1.20 0.55 119.26 124.44 2jy6 h ALA 28 Ca 0.53 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.27 2jy6 h ALA 28 Cb 0.69 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2jy6 h ALA 28 CO -0.31 0.28 0.11 0.87 0.00 0.00 0.00 179.25 180.20 2jy6 h LYS 29 N 0.62 0.24 -0.85 0.00 1.57 -1.02 -0.42 116.57 116.70 2jy6 h LYS 29 Ca 0.15 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 2jy6 h LYS 29 Cb 0.29 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 2jy6 h LYS 29 CO -0.00 0.16 0.47 0.82 -0.57 0.00 0.00 179.45 180.32 2jy6 h ILE 30 N 0.24 1.25 -0.79 1.86 2.04 -0.99 -1.73 117.51 119.39 2jy6 h ILE 30 Ca 0.09 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 2jy6 h ILE 30 Cb 0.03 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.17 2jy6 h ILE 30 CO -0.07 0.28 0.42 -0.61 0.00 0.00 0.00 178.15 178.18 2jy6 h GLN 31 N 1.18 1.10 -0.27 2.37 4.15 -0.38 0.25 115.11 123.52 2jy6 h GLN 31 Ca 0.30 -0.13 -0.04 0.00 0.77 0.00 0.00 58.65 59.55 2jy6 h GLN 31 Cb 0.03 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.49 2jy6 h GLN 31 CO -0.05 0.81 0.01 0.22 -1.93 0.00 0.00 178.83 177.90 2jy6 h ASP 32 N 1.11 0.45 0.42 -0.69 1.82 -0.62 -0.54 116.42 118.37 2jy6 h ASP 32 Ca 0.28 -0.29 -0.02 0.00 -0.39 0.00 0.00 57.03 56.60 2jy6 h ASP 32 Cb 0.04 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 39.93 2jy6 h ASP 32 CO -0.04 0.63 -0.20 0.11 -1.61 0.00 0.00 179.24 178.12 2jy6 h LYS 33 N 0.25 -0.55 0.00 0.28 1.57 -0.96 -3.41 116.57 113.75 2jy6 h LYS 33 Ca 0.08 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2jy6 h LYS 33 Cb 0.39 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2jy6 h LYS 33 CO 0.01 -0.24 0.00 0.39 -0.57 0.00 0.00 179.45 179.04 2jy6 n GLU 34 N -5.21 0.00 0.00 3.15 -0.58 0.83 -5.04 120.64 113.79 2jy6 n GLU 34 Ca -0.10 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 2jy6 n GLU 34 Cb 0.29 -0.51 0.00 0.00 -0.57 0.00 0.00 31.44 30.65 2jy6 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jy6 n GLY 35 N 2.36 0.46 3.69 0.62 0.00 -0.21 -5.02 105.19 107.09 2jy6 n GLY 35 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 3.41 0.37 -0.61 1.01 -1.26 -4.97 121.20 119.15 2jy6 s ILE 36 Ca 0.00 0.80 -0.28 0.00 0.00 0.00 0.00 60.65 61.16 2jy6 s ILE 36 Cb 0.00 -3.51 -0.11 0.00 0.01 0.00 0.00 42.46 38.84 2jy6 s ILE 36 CO 0.00 -0.01 1.46 -2.65 0.00 0.00 0.00 174.94 173.74 2jy6 n PRO 37 N 5.65 2.59 0.02 2.79 -0.02 -1.26 -4.38 135.00 140.38 2jy6 n PRO 37 Ca 0.15 0.91 0.22 0.00 -2.02 0.00 0.00 63.50 62.76 2jy6 n PRO 37 Cb 0.42 -2.62 0.72 0.00 -0.02 0.00 0.00 33.50 32.01 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 2.97 0.00 0.00 0.52 0.11 -1.93 0.89 132.00 134.56 2jy6 h PRO 38 Ca -0.50 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 2jy6 h PRO 38 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2jy6 h PRO 38 CO 0.64 0.00 -0.20 -0.44 -0.21 0.00 0.00 178.00 177.80 2jy6 h ASP 39 N 0.00 0.00 -0.02 -2.05 3.32 -1.99 -1.93 116.42 113.75 2jy6 h ASP 39 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2jy6 h ASP 39 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2jy6 h ASP 39 CO -0.00 0.20 -0.09 0.00 -1.72 0.00 0.00 179.24 177.63 2jy6 n GLN 40 N -3.43 2.03 -3.55 3.56 6.02 0.29 -4.93 117.38 117.37 2jy6 n GLN 40 Ca -0.00 -1.63 -0.36 0.00 -0.01 0.00 0.00 57.00 54.99 2jy6 n GLN 40 Cb 0.38 -1.47 -0.06 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 -2.09 3.82 -0.03 -1.09 -0.21 -0.73 -2.90 119.66 116.43 2jy6 s GLN 41 Ca 0.27 0.28 -0.00 0.00 0.02 0.00 0.00 55.36 55.93 2jy6 s GLN 41 Cb 0.20 -3.11 0.03 0.00 1.00 0.00 0.00 33.01 31.13 2jy6 s GLN 41 CO 0.35 0.63 0.02 1.03 -2.12 0.00 0.00 175.29 175.20 2jy6 s ARG 42 N -1.48 0.19 -0.33 2.91 0.52 -0.76 -4.98 118.95 115.01 2jy6 s ARG 42 Ca 0.28 0.15 -0.10 0.00 -0.52 0.00 0.00 55.73 55.54 2jy6 s ARG 42 Cb -0.15 -0.46 0.01 0.00 0.52 0.00 0.00 34.95 34.86 2jy6 s ARG 42 CO 0.15 -0.18 0.17 -0.51 0.02 0.00 0.00 175.30 174.95 2jy6 s LEU 43 N 1.26 4.30 -0.12 2.53 1.43 -1.26 -0.27 118.68 126.55 2jy6 s LEU 43 Ca -0.07 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.35 2jy6 s LEU 43 Cb -0.13 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 2jy6 s LEU 43 CO -0.02 -0.26 -0.14 -0.63 0.23 0.00 0.00 176.35 175.52 2jy6 s ILE 44 N 1.59 2.94 -0.25 -0.59 1.09 0.10 -0.08 121.20 126.00 2jy6 s ILE 44 Ca 0.04 -0.71 0.01 0.00 -1.10 0.00 0.00 60.65 58.88 2jy6 s ILE 44 Cb -0.18 -2.22 0.07 0.00 -1.06 0.00 0.00 42.46 39.08 2jy6 s ILE 44 CO 0.06 0.54 -0.02 0.12 -0.10 0.00 0.00 174.94 175.53 2jy6 s PHE 45 N 0.22 2.42 -1.78 3.97 5.36 0.50 -0.86 117.98 127.81 2jy6 s PHE 45 Ca -0.09 -1.85 0.00 0.00 -0.96 0.00 0.00 56.93 54.02 2jy6 s PHE 45 Cb -0.15 -1.71 0.00 0.00 -0.34 0.00 0.00 43.02 40.81 2jy6 s PHE 45 CO 0.05 -0.80 0.00 0.00 -1.46 0.00 0.00 175.22 173.02 2jy6 n ALA 46 N 4.66 -0.60 0.00 11.12 0.00 -1.26 -1.08 120.51 133.35 2jy6 n ALA 46 Ca -0.09 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2jy6 n ALA 46 Cb 0.44 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 -1.00 3.34 3.68 0.00 0.00 -1.26 -5.02 105.19 104.93 2jy6 n GLY 47 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.76 4.38 -0.12 1.61 1.02 -0.24 -5.01 119.74 120.62 2jy6 s LYS 48 Ca 0.00 1.22 -0.30 0.00 0.02 0.00 0.00 55.97 56.92 2jy6 s LYS 48 Cb 0.00 -3.54 -0.02 0.00 -0.52 0.00 0.00 37.83 33.75 2jy6 s LYS 48 CO 0.00 -0.29 1.13 -1.14 -0.92 0.00 0.00 175.35 174.14 2jy6 s GLN 49 N 1.95 4.33 -0.50 1.68 0.74 -1.26 -0.37 119.66 126.23 2jy6 s GLN 49 Ca 0.44 1.54 -0.23 0.00 0.05 0.00 0.00 55.36 57.16 2jy6 s GLN 49 Cb -0.18 -3.61 0.04 0.00 1.10 0.00 0.00 33.01 30.36 2jy6 s GLN 49 CO 0.16 -0.49 0.82 -0.51 -0.55 0.00 0.00 175.29 174.72 2jy6 s LEU 50 N 2.58 4.29 0.37 3.68 1.43 0.89 -4.97 118.68 126.95 2jy6 s LEU 50 Ca 0.52 -0.31 -0.27 0.00 -1.03 0.00 0.00 54.13 53.04 2jy6 s LEU 50 Cb -0.21 -2.85 -0.09 0.00 0.03 0.00 0.00 46.19 43.07 2jy6 s LEU 50 CO 0.17 -1.03 1.25 -1.61 0.23 0.00 0.00 176.35 175.36 2jy6 s GLU 51 N 3.46 4.17 0.33 1.70 2.02 -1.26 -4.44 118.70 124.67 2jy6 s GLU 51 Ca 0.28 2.07 0.04 0.00 0.02 0.00 0.00 54.97 57.38 2jy6 s GLU 51 Cb -0.13 -2.87 0.65 0.00 0.10 0.00 0.00 34.13 31.88 2jy6 s GLU 51 CO 0.20 -0.29 1.92 -0.44 0.02 0.00 0.00 175.26 176.66 2jy6 h ASP 52 N 2.99 0.78 -0.28 -0.19 5.19 -1.95 -2.26 116.42 120.70 2jy6 h ASP 52 Ca -0.49 0.01 -0.19 0.00 -0.62 0.00 0.00 57.03 55.74 2jy6 h ASP 52 Cb 1.23 -0.15 -0.08 0.00 0.18 0.00 0.00 39.33 40.52 2jy6 h ASP 52 CO 0.64 0.48 0.16 0.61 -3.12 0.00 0.00 179.24 178.01 2jy6 n GLY 53 N -1.42 3.35 3.30 2.75 0.00 -1.26 -3.86 105.19 108.05 2jy6 n GLY 53 Ca 0.14 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.77 1.30 0.44 1.61 1.81 -0.85 -5.08 118.95 117.40 2jy6 s ARG 54 Ca 0.24 -1.67 0.07 0.00 -1.72 0.00 0.00 55.73 52.65 2jy6 s ARG 54 Cb 0.16 -0.34 -0.03 0.00 -0.45 0.00 0.00 34.95 34.30 2jy6 s ARG 54 CO -0.02 -0.20 0.25 0.95 -0.68 0.00 0.00 175.30 175.59 2jy6 s THR 55 N -3.66 2.19 -0.85 0.02 -4.23 -1.26 -2.31 115.64 105.54 2jy6 s THR 55 Ca 0.31 -1.61 0.23 0.00 -1.18 0.00 0.00 61.69 59.44 2jy6 s THR 55 Cb 0.07 -2.80 0.22 0.00 1.34 0.00 0.00 72.50 71.32 2jy6 s THR 55 CO 0.09 0.00 1.73 0.18 -0.54 0.00 0.00 174.62 176.08 2jy6 n LEU 56 N -1.39 0.29 0.09 4.79 4.77 -0.99 -2.44 117.00 122.13 2jy6 n LEU 56 Ca -0.01 0.55 0.12 0.00 -0.03 0.00 0.00 56.01 56.63 2jy6 n LEU 56 Cb 0.64 -0.48 0.13 0.00 -2.33 0.00 0.00 43.42 41.38 2jy6 n LEU 56 CO 0.44 -0.21 0.31 0.77 -1.33 0.00 0.00 177.39 177.37 2jy6 h SER 57 N 0.00 0.00 0.16 -1.43 4.64 -1.85 0.24 113.55 115.31 2jy6 h SER 57 Ca 0.00 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 2jy6 h SER 57 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2jy6 h SER 57 CO 0.00 0.06 -0.08 0.44 -0.87 0.00 0.00 176.83 176.38 2jy6 h ASP 58 N 0.00 -0.18 -0.37 4.97 3.32 -1.88 -3.09 116.42 119.19 2jy6 h ASP 58 Ca 0.00 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.78 2jy6 h ASP 58 Cb 0.85 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.45 2jy6 h ASP 58 CO 0.00 0.20 0.00 -1.22 -1.72 0.00 0.00 179.24 176.50 2jy6 n TYR 59 N -5.02 0.49 -3.27 4.55 4.02 -1.26 -4.96 117.16 111.72 2jy6 n TYR 59 Ca -0.09 -0.25 -0.12 0.00 -0.01 0.00 0.00 57.90 57.44 2jy6 n TYR 59 Cb 0.23 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.59 2jy6 n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2jy6 n ASN 60 N 0.87 -6.83 -4.67 7.72 2.85 -1.16 -4.95 115.26 109.07 2jy6 n ASN 60 Ca 0.17 -0.51 -0.40 0.00 -0.11 0.00 0.00 54.58 53.72 2jy6 n ASN 60 Cb 0.43 -4.79 -0.05 0.00 1.24 0.00 0.00 39.78 36.61 2jy6 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2jy6 s ILE 61 N -3.22 4.98 0.47 -1.44 -1.09 0.83 -5.02 121.20 116.70 2jy6 s ILE 61 Ca 0.25 1.39 0.07 0.00 -2.23 0.00 0.00 60.65 60.13 2jy6 s ILE 61 Cb -0.05 -4.03 0.07 0.00 -1.58 0.00 0.00 42.46 36.88 2jy6 s ILE 61 CO 0.77 0.11 0.60 0.00 -1.23 0.00 0.00 174.94 175.19 2jy6 n GLN 62 N 4.89 0.70 -2.21 2.79 3.00 -1.26 -4.85 117.38 120.43 2jy6 n GLN 62 Ca 0.01 -2.57 -0.32 0.00 -0.01 0.00 0.00 57.00 54.11 2jy6 n GLN 62 Cb 0.50 -0.12 -0.02 0.00 0.00 0.00 0.00 30.24 30.60 2jy6 n GLN 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 2jy6 s LYS 63 N -4.08 3.81 -1.61 -1.09 -2.85 -1.26 -3.78 119.74 108.88 2jy6 s LYS 63 Ca 0.46 0.89 0.00 0.00 -1.00 0.00 0.00 55.97 56.32 2jy6 s LYS 63 Cb -0.04 -2.11 0.00 0.00 -2.06 0.00 0.00 37.83 33.62 2jy6 s LYS 63 CO 0.29 -0.39 0.00 0.39 0.10 0.00 0.00 175.35 175.74 2jy6 n GLU 64 N -1.98 -1.33 -2.80 1.78 1.02 0.55 -4.98 120.64 112.89 2jy6 n GLU 64 Ca 0.06 0.93 -0.31 0.00 -0.02 0.00 0.00 57.16 57.83 2jy6 n GLU 64 Cb 0.54 -5.32 -0.03 0.00 -0.02 0.00 0.00 31.44 26.60 2jy6 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2jy6 s SER 65 N -2.42 6.54 -0.41 1.62 0.01 -1.25 -4.82 113.70 112.99 2jy6 s SER 65 Ca 0.00 1.20 -0.09 0.00 1.31 0.00 0.00 55.95 58.37 2jy6 s SER 65 Cb 0.00 -2.35 0.07 0.00 0.21 0.00 0.00 66.02 63.95 2jy6 s SER 65 CO 0.00 -0.42 0.24 -0.89 0.41 0.00 0.00 173.24 172.58 2jy6 s THR 66 N -2.39 4.18 -0.11 1.44 2.01 -1.26 -0.85 115.64 118.67 2jy6 s THR 66 Ca 0.52 -1.34 -0.09 0.00 0.31 0.00 0.00 61.69 61.09 2jy6 s THR 66 Cb -0.10 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 2jy6 s THR 66 CO 0.31 -0.45 0.19 -0.76 -0.69 0.00 0.00 174.62 173.21 2jy6 s LEU 67 N 1.42 4.39 -0.30 4.42 1.02 0.15 -4.78 118.68 125.01 2jy6 s LEU 67 Ca 0.03 0.54 -0.09 0.00 0.02 0.00 0.00 54.13 54.63 2jy6 s LEU 67 Cb -0.22 -2.17 -0.01 0.00 0.02 0.00 0.00 46.19 43.82 2jy6 s LEU 67 CO 0.02 0.37 0.13 -1.00 0.02 0.00 0.00 176.35 175.89 2jy6 s HIS 68 N -0.90 3.16 -0.42 0.29 3.76 -0.04 0.17 115.29 121.31 2jy6 s HIS 68 Ca 0.16 -0.66 -0.16 0.00 -0.15 0.00 0.00 55.06 54.25 2jy6 s HIS 68 Cb -0.13 -2.32 0.02 0.00 1.11 0.00 0.00 32.58 31.27 2jy6 s HIS 68 CO 0.05 -0.48 0.37 -1.17 -0.85 0.00 0.00 174.74 172.67 2jy6 s LEU 69 N 1.59 5.03 0.06 0.89 2.96 -0.49 0.01 118.68 128.73 2jy6 s LEU 69 Ca 0.04 -0.82 -0.22 0.00 -0.22 0.00 0.00 54.13 52.91 2jy6 s LEU 69 Cb -0.17 -2.27 -0.06 0.00 0.50 0.00 0.00 46.19 44.19 2jy6 s LEU 69 CO 0.05 -0.53 0.64 -0.69 -1.32 0.00 0.00 176.35 174.50 2jy6 s VAL 70 N 1.90 4.73 -0.44 1.68 1.01 0.63 -1.82 120.40 128.09 2jy6 s VAL 70 Ca 0.08 1.37 -0.09 0.00 0.00 0.00 0.00 61.98 63.35 2jy6 s VAL 70 Cb -0.18 -3.98 0.10 0.00 0.00 0.00 0.00 36.38 32.31 2jy6 s VAL 70 CO 0.11 0.48 0.29 -0.76 0.00 0.00 0.00 175.10 175.23 2jy6 s LEU 71 N -0.67 5.40 -0.68 3.92 1.43 -1.26 -1.82 118.68 125.00 2jy6 s LEU 71 Ca 0.32 -1.73 -0.25 0.00 -1.03 0.00 0.00 54.13 51.44 2jy6 s LEU 71 Cb -0.20 -1.98 0.05 0.00 0.03 0.00 0.00 46.19 44.08 2jy6 s LEU 71 CO 0.20 -0.61 1.12 -0.60 0.23 0.00 0.00 176.35 176.70 2jy6 s ARG 72 N 1.37 3.20 0.03 1.70 3.00 -1.14 -4.99 118.95 122.11 2jy6 s ARG 72 Ca 0.05 -0.43 -0.30 0.00 -1.00 0.00 0.00 55.73 54.04 2jy6 s ARG 72 Cb -0.24 -4.17 -0.04 0.00 0.00 0.00 0.00 34.95 30.49 2jy6 s ARG 72 CO 0.00 -1.93 1.11 -0.51 0.00 0.00 0.00 175.30 173.98 2jy6 s LEU 73 N 4.88 4.36 0.30 -0.88 1.43 -1.26 -4.86 118.68 122.65 2jy6 s LEU 73 Ca 0.30 1.86 0.24 0.00 -1.03 0.00 0.00 54.13 55.50 2jy6 s LEU 73 Cb -0.12 -3.57 0.38 0.00 0.03 0.00 0.00 46.19 42.91 2jy6 s LEU 73 CO 0.14 -0.39 1.50 0.03 0.23 0.00 0.00 176.35 177.86 2jy6 h ARG 74 N 6.84 0.00 0.00 1.70 2.47 -1.99 -3.46 114.38 119.94 2jy6 h ARG 74 Ca -0.41 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.31 2jy6 h ARG 74 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 2jy6 h ARG 74 CO 0.79 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.73 2jy6 n GLY 75 N 1.19 0.77 0.00 0.04 0.00 -1.26 -5.33 105.19 100.61 2jy6 n GLY 75 Ca 0.03 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.15 2jy6 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93