#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jnt h LYS 2 N 0.00 -0.84 -3.74 0.00 1.57 -1.91 -3.46 116.57 108.19 1jnt h LYS 2 Ca 0.00 0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 1jnt h LYS 2 Cb 0.00 0.19 -0.16 0.00 0.08 0.00 0.00 32.23 32.34 1jnt h LYS 2 CO 0.00 -0.56 -0.42 0.95 -0.57 0.00 0.00 179.45 178.85 1jnt s THR 3 N -6.06 0.13 0.08 -0.16 -4.23 -1.26 -4.51 115.64 99.64 1jnt s THR 3 Ca -0.17 -1.10 0.06 0.00 -1.18 0.00 0.00 61.69 59.29 1jnt s THR 3 Cb 0.03 -1.13 -0.03 0.00 1.34 0.00 0.00 72.50 72.71 1jnt s THR 3 CO 0.62 -0.61 -0.16 0.00 -0.54 0.00 0.00 174.62 173.94 1jnt s ALA 4 N -3.21 1.31 -0.25 3.99 0.00 -0.73 0.51 121.76 123.37 1jnt s ALA 4 Ca 0.00 -1.05 -0.15 0.00 0.00 0.00 0.00 51.96 50.76 1jnt s ALA 4 Cb 0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1jnt s ALA 4 CO -0.07 0.21 0.37 0.00 0.00 0.00 0.00 175.76 176.26 1jnt s ALA 5 N -1.25 3.57 -0.02 0.00 0.00 -1.06 -1.76 121.76 121.23 1jnt s ALA 5 Ca -0.00 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1jnt s ALA 5 Cb -0.10 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.35 1jnt s ALA 5 CO 0.03 -0.56 -0.05 0.00 0.00 0.00 0.00 175.76 175.17 1jnt s ALA 6 N 1.86 0.54 -0.11 0.00 0.00 -0.85 -0.07 121.76 123.12 1jnt s ALA 6 Ca 0.15 -0.18 -0.08 0.00 0.00 0.00 0.00 51.96 51.86 1jnt s ALA 6 Cb -0.15 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1jnt s ALA 6 CO 0.09 0.08 0.16 -0.51 0.00 0.00 0.00 175.76 175.58 1jnt s LEU 7 N 0.21 4.39 -0.03 0.00 1.43 -0.88 -3.47 118.68 120.33 1jnt s LEU 7 Ca -0.02 0.50 0.01 0.00 -1.03 0.00 0.00 54.13 53.59 1jnt s LEU 7 Cb -0.06 -2.11 0.01 0.00 0.03 0.00 0.00 46.19 44.06 1jnt s LEU 7 CO -0.00 0.40 -0.05 -1.00 0.23 0.00 0.00 176.35 175.92 1jnt s HIS 8 N -0.99 0.66 -0.14 0.29 3.76 -1.11 -1.19 115.29 116.58 1jnt s HIS 8 Ca 0.15 -0.15 0.03 0.00 -0.15 0.00 0.00 55.06 54.94 1jnt s HIS 8 Cb -0.12 -0.53 0.01 0.00 1.11 0.00 0.00 32.58 33.05 1jnt s HIS 8 CO 0.05 -0.11 -0.22 0.42 -0.85 0.00 0.00 174.74 174.03 1jnt s ILE 9 N 0.47 2.06 -0.28 0.60 1.01 -0.80 -4.00 121.20 120.25 1jnt s ILE 9 Ca -0.06 -0.98 -0.11 0.00 0.00 0.00 0.00 60.65 59.50 1jnt s ILE 9 Cb -0.10 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.51 1jnt s ILE 9 CO -0.00 0.55 0.19 -0.22 0.00 0.00 0.00 174.94 175.46 1jnt s LEU 10 N 0.78 4.02 -0.18 2.97 0.20 -1.26 -2.15 118.68 123.07 1jnt s LEU 10 Ca -0.08 -0.01 -0.08 0.00 0.69 0.00 0.00 54.13 54.65 1jnt s LEU 10 Cb -0.16 -2.12 -0.04 0.00 -0.43 0.00 0.00 46.19 43.44 1jnt s LEU 10 CO -0.01 -0.05 0.10 -0.69 -0.29 0.00 0.00 176.35 175.41 1jnt s VAL 11 N 1.75 5.15 0.21 1.68 1.01 -0.48 -4.91 120.40 124.81 1jnt s VAL 11 Ca 0.07 0.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.06 1jnt s VAL 11 Cb -0.16 -3.32 0.14 0.00 0.00 0.00 0.00 36.38 33.05 1jnt s VAL 11 CO 0.11 0.48 1.75 0.50 0.00 0.00 0.00 175.10 177.94 1jnt h LYS 12 N 6.39 1.18 -4.16 2.72 3.64 -1.88 -1.36 116.57 123.10 1jnt h LYS 12 Ca -0.42 -0.24 -0.14 0.00 -1.27 0.00 0.00 60.65 58.59 1jnt h LYS 12 Cb 1.17 -0.18 -0.17 0.00 -0.41 0.00 0.00 32.23 32.64 1jnt h LYS 12 CO 0.71 0.99 -0.69 -1.83 -2.27 0.00 0.00 179.45 176.36 1jnt s GLU 13 N -5.45 0.52 0.25 1.90 -1.05 -1.26 -4.66 118.70 108.94 1jnt s GLU 13 Ca -0.12 -1.03 -0.06 0.00 -0.15 0.00 0.00 54.97 53.61 1jnt s GLU 13 Cb 0.15 0.18 0.26 0.00 -0.44 0.00 0.00 34.13 34.29 1jnt s GLU 13 CO 0.84 -0.09 1.93 1.49 0.95 0.00 0.00 175.26 180.38 1jnt h GLU 14 N 3.62 1.32 -0.76 -4.83 4.81 -1.96 -2.46 114.58 114.32 1jnt h GLU 14 Ca -0.33 -0.08 0.13 0.00 -0.13 0.00 0.00 59.36 58.95 1jnt h GLU 14 Cb 1.16 -0.30 -0.09 0.00 0.63 0.00 0.00 28.75 30.15 1jnt h GLU 14 CO 0.58 0.88 0.34 0.87 -0.73 0.00 0.00 179.01 180.95 1jnt h LYS 15 N 1.36 0.49 -0.46 1.92 1.57 -1.99 1.05 116.57 120.52 1jnt h LYS 15 Ca 0.37 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.98 1jnt h LYS 15 Cb -0.16 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 1jnt h LYS 15 CO -0.08 0.33 -0.26 1.25 -0.57 0.00 0.00 179.45 180.11 1jnt h LEU 16 N 0.51 1.03 -1.01 2.94 6.46 -1.91 -1.81 115.31 121.52 1jnt h LEU 16 Ca 0.41 -0.41 0.02 0.00 -0.12 0.00 0.00 57.88 57.78 1jnt h LEU 16 Cb 0.58 -0.28 -0.05 0.00 -0.73 0.00 0.00 40.66 40.17 1jnt h LEU 16 CO -0.37 1.22 0.67 0.00 -0.62 0.00 0.00 178.44 179.34 1jnt h ALA 17 N 0.84 1.31 -0.35 1.25 0.00 -0.30 0.46 119.26 122.47 1jnt h ALA 17 Ca 0.10 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1jnt h ALA 17 Cb 0.85 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1jnt h ALA 17 CO 0.08 0.62 0.22 1.25 0.00 0.00 0.00 179.25 181.41 1jnt h LEU 18 N 1.32 0.38 -1.01 0.00 6.46 0.14 0.89 115.31 123.49 1jnt h LEU 18 Ca 0.39 -0.01 0.01 0.00 -0.12 0.00 0.00 57.88 58.15 1jnt h LEU 18 Cb -0.08 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 39.71 1jnt h LEU 18 CO -0.10 0.27 0.67 -0.78 -0.62 0.00 0.00 178.44 177.88 1jnt h ASP 19 N 0.45 1.16 -0.39 1.25 1.82 -0.41 -1.99 116.42 118.31 1jnt h ASP 19 Ca 0.13 -0.03 -0.05 0.00 -0.39 0.00 0.00 57.03 56.69 1jnt h ASP 19 Cb -0.03 -0.29 -0.01 0.00 0.68 0.00 0.00 39.33 39.67 1jnt h ASP 19 CO -0.04 0.84 0.04 0.17 -1.61 0.00 0.00 179.24 178.64 1jnt h LEU 20 N 1.36 0.63 0.19 2.28 8.10 0.15 -0.90 115.31 127.11 1jnt h LEU 20 Ca 0.37 -0.27 0.00 0.00 0.11 0.00 0.00 57.88 58.09 1jnt h LEU 20 Cb -0.16 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 39.88 1jnt h LEU 20 CO -0.08 0.75 -0.18 -0.07 -4.11 0.00 0.00 178.44 174.75 1jnt h LEU 21 N 0.49 -0.47 -0.85 0.17 3.38 0.13 -2.49 115.31 115.66 1jnt h LEU 21 Ca 0.11 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1jnt h LEU 21 Cb 0.40 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1jnt h LEU 21 CO 0.01 -0.27 0.40 -0.08 0.09 0.00 0.00 178.44 178.59 1jnt h GLU 22 N -0.39 1.23 -0.82 1.13 4.81 -1.38 -3.18 114.58 115.98 1jnt h GLU 22 Ca 0.00 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1jnt h GLU 22 Cb 0.37 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 1jnt h GLU 22 CO -0.04 0.95 0.54 0.37 -0.73 0.00 0.00 179.01 180.10 1jnt h GLN 23 N 1.21 1.08 -0.19 1.92 5.75 -0.73 -1.72 115.11 122.44 1jnt h GLN 23 Ca 0.29 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.71 1jnt h GLN 23 Cb 0.13 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 1jnt h GLN 23 CO -0.03 0.71 0.06 0.82 -2.65 0.00 0.00 178.83 177.74 1jnt h ILE 24 N 1.11 1.18 0.13 2.39 2.04 -1.45 1.03 117.51 123.94 1jnt h ILE 24 Ca 0.30 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1jnt h ILE 24 Cb -0.13 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1jnt h ILE 24 CO -0.07 0.18 -0.06 0.11 0.00 0.00 0.00 178.15 178.31 1jnt h LYS 25 N 0.13 -0.17 -0.82 2.37 1.57 -1.61 3.12 116.57 121.16 1jnt h LYS 25 Ca 0.06 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1jnt h LYS 25 Cb 0.22 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 1jnt h LYS 25 CO -0.00 0.01 0.48 -0.91 -0.57 0.00 0.00 179.45 178.45 1jnt h ASN 26 N -0.32 0.99 0.00 0.86 4.21 -1.23 -3.38 115.58 116.72 1jnt h ASN 26 Ca -0.02 -0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.42 1jnt h ASN 26 Cb 0.25 -0.25 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1jnt h ASN 26 CO 0.03 0.78 -0.38 0.61 -1.29 0.00 0.00 177.43 177.18 1jnt n GLY 27 N -1.17 -0.36 0.77 2.83 0.00 0.36 -5.08 105.19 102.53 1jnt n GLY 27 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1jnt n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jnt n ALA 28 N -3.39 -1.53 -2.67 4.61 0.00 1.04 -4.97 120.51 113.59 1jnt n ALA 28 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.37 1jnt n ALA 28 Cb 0.20 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.68 1jnt n ALA 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jnt s ASP 29 N 0.00 -0.14 0.11 0.00 1.01 -1.26 -5.04 116.67 111.34 1jnt s ASP 29 Ca 0.00 -0.14 -0.15 0.00 0.71 0.00 0.00 52.55 52.96 1jnt s ASP 29 Cb 0.00 0.19 -0.05 0.00 1.01 0.00 0.00 42.92 44.07 1jnt s ASP 29 CO 0.00 -0.01 1.52 -0.26 0.21 0.00 0.00 175.17 176.63 1jnt h PHE 30 N 4.43 0.74 0.09 4.23 0.04 -1.98 0.64 116.94 125.13 1jnt h PHE 30 Ca -0.02 -0.15 -0.00 0.00 2.80 0.00 0.00 57.97 60.59 1jnt h PHE 30 Cb 1.19 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 39.16 1jnt h PHE 30 CO -0.11 0.81 -0.04 0.78 -0.60 0.00 0.00 178.31 179.14 1jnt h GLY 31 N 0.45 -0.13 1.24 -1.45 0.00 -1.97 -1.98 103.07 99.24 1jnt h GLY 31 Ca 0.09 0.05 -0.10 0.00 0.00 0.00 0.00 47.33 47.37 1jnt h GLY 31 CO 0.03 -0.05 -0.10 0.50 0.00 0.00 0.00 176.54 176.92 1jnt h LYS 32 N -0.37 0.90 -0.87 4.80 1.57 -1.97 -2.44 116.57 118.18 1jnt h LYS 32 Ca -0.01 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.43 1jnt h LYS 32 Cb 0.31 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 1jnt h LYS 32 CO 0.02 0.95 0.44 -0.07 -0.57 0.00 0.00 179.45 180.23 1jnt h LEU 33 N 0.81 1.12 -0.78 2.94 3.38 -0.83 0.10 115.31 122.05 1jnt h LEU 33 Ca 0.13 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1jnt h LEU 33 Cb 0.62 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1jnt h LEU 33 CO 0.04 0.93 0.52 0.00 0.09 0.00 0.00 178.44 180.02 1jnt h ALA 34 N 1.24 0.98 -0.37 1.53 0.00 -1.12 -1.00 119.26 120.53 1jnt h ALA 34 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1jnt h ALA 34 Cb 0.09 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1jnt h ALA 34 CO -0.04 0.40 0.25 -0.22 0.00 0.00 0.00 179.25 179.64 1jnt h LYS 35 N 1.05 0.49 -0.36 0.00 3.64 -0.82 -1.09 116.57 119.49 1jnt h LYS 35 Ca 0.28 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.48 1jnt h LYS 35 Cb -0.12 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.58 1jnt h LYS 35 CO -0.06 0.33 -0.40 -0.22 -2.27 0.00 0.00 179.45 176.83 1jnt h LYS 36 N 0.51 0.91 0.00 1.90 3.64 -0.36 -3.37 116.57 119.79 1jnt h LYS 36 Ca 0.14 -0.49 -0.12 0.00 -1.27 0.00 0.00 60.65 58.90 1jnt h LYS 36 Cb -0.06 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1jnt h LYS 36 CO -0.03 1.14 -2.00 0.72 -2.27 0.00 0.00 179.45 177.01 1jnt n HIS 37 N -4.08 0.00 -0.23 1.91 8.25 -0.44 -4.52 115.22 116.12 1jnt n HIS 37 Ca -0.03 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.38 1jnt n HIS 37 Cb 0.55 -0.60 0.05 0.00 1.12 0.00 0.00 29.99 31.10 1jnt n HIS 37 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1jnt h SER 38 N 0.00 0.73 -4.41 0.41 0.87 -1.36 -3.44 113.55 106.35 1jnt h SER 38 Ca -0.18 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1jnt h SER 38 Cb 1.34 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1jnt h SER 38 CO 0.01 0.53 0.00 0.00 -0.53 0.00 0.00 176.83 176.84 1jnt n ILE 39 N -4.65 0.00 -4.50 2.23 3.06 -1.26 -4.83 119.36 109.42 1jnt n ILE 39 Ca 0.05 0.00 -0.23 0.00 -2.50 0.00 0.00 62.75 60.07 1jnt n ILE 39 Cb 0.02 0.00 -0.11 0.00 0.54 0.00 0.00 39.64 40.10 1jnt n ILE 39 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1jnt h PRO 41 N 2.04 0.00 -0.69 0.00 0.11 -2.04 0.26 132.00 131.67 1jnt h PRO 41 Ca -0.42 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.38 1jnt h PRO 41 Cb 1.24 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.16 1jnt h PRO 41 CO 0.73 0.00 0.30 -1.13 -0.21 0.00 0.00 178.00 177.69 1jnt n SER 42 N -3.56 3.60 0.04 -2.05 3.41 -1.26 -4.44 113.62 109.36 1jnt n SER 42 Ca -0.02 -3.54 -0.08 0.00 -0.26 0.00 0.00 58.87 54.97 1jnt n SER 42 Cb 0.13 -0.74 -0.05 0.00 -0.26 0.00 0.00 64.21 63.29 1jnt n SER 42 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1jnt h GLY 43 N 1.41 -0.21 1.02 5.00 0.00 -0.79 2.86 103.07 112.36 1jnt h GLY 43 Ca 0.39 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1jnt h GLY 43 CO 0.75 -0.08 0.62 0.50 0.00 0.00 0.00 176.54 178.33 1jnt h LYS 44 N -0.98 1.31 0.03 4.80 1.57 -1.78 -1.09 116.57 120.42 1jnt h LYS 44 Ca -0.02 -0.10 -0.38 0.00 -1.87 0.00 0.00 60.65 58.28 1jnt h LYS 44 Cb 0.41 -0.29 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 1jnt h LYS 44 CO 0.03 0.89 -2.21 -2.13 -0.57 0.00 0.00 179.45 175.46 1jnt n ARG 45 N -4.37 0.65 -0.15 3.15 3.00 -1.23 -4.13 116.66 113.57 1jnt n ARG 45 Ca 0.11 0.27 0.00 0.00 -0.00 0.00 0.00 57.85 58.23 1jnt n ARG 45 Cb 0.03 -1.59 0.26 0.00 0.00 0.00 0.00 32.46 31.16 1jnt n ARG 45 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1jnt h GLY 46 N 0.55 0.92 0.96 5.14 0.00 0.50 0.12 103.07 111.26 1jnt h GLY 46 Ca -0.55 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.39 1jnt h GLY 46 CO -0.16 0.38 0.00 0.61 0.00 0.00 0.00 176.54 177.37 1jnt n GLY 47 N -1.26 -0.50 2.70 4.60 0.00 -0.41 -2.73 105.19 107.59 1jnt n GLY 47 Ca 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 1jnt n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jnt n ASP 48 N -0.98 -2.13 -0.08 1.61 -0.08 0.35 -4.50 116.55 110.74 1jnt n ASP 48 Ca 0.11 -1.81 0.15 0.00 -1.51 0.00 0.00 54.79 51.73 1jnt n ASP 48 Cb 0.05 1.11 0.70 0.00 2.34 0.00 0.00 41.12 45.33 1jnt n ASP 48 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1jnt n LEU 49 N 2.48 0.30 0.00 -2.67 4.77 -0.70 -4.73 117.00 116.46 1jnt n LEU 49 Ca 0.12 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1jnt n LEU 49 Cb 0.63 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1jnt n LEU 49 CO -0.08 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 1jnt n GLY 50 N 1.23 1.75 3.69 -0.72 0.00 -1.26 -4.66 105.19 105.22 1jnt n GLY 50 Ca 0.16 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 1jnt n GLY 50 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jnt s GLU 51 N 0.00 3.55 0.09 1.61 2.02 -1.26 -2.01 118.70 122.70 1jnt s GLU 51 Ca 0.00 -0.33 -0.09 0.00 0.02 0.00 0.00 54.97 54.57 1jnt s GLU 51 Cb 0.00 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.17 1jnt s GLU 51 CO 0.00 0.51 0.21 -0.59 0.02 0.00 0.00 175.26 175.41 1jnt s PHE 52 N -0.30 0.12 0.62 1.61 -0.12 -0.72 -4.86 117.98 114.33 1jnt s PHE 52 Ca 0.08 -0.54 -0.02 0.00 -0.05 0.00 0.00 56.93 56.40 1jnt s PHE 52 Cb -0.12 -0.03 0.05 0.00 -0.63 0.00 0.00 43.02 42.29 1jnt s PHE 52 CO 0.02 -0.56 0.88 -0.98 -0.05 0.00 0.00 175.22 174.52 1jnt s ARG 53 N -3.86 2.36 0.29 1.99 1.70 -1.26 -1.77 118.95 118.40 1jnt s ARG 53 Ca 0.05 -0.58 0.20 0.00 -0.47 0.00 0.00 55.73 54.93 1jnt s ARG 53 Cb 0.05 -2.35 1.06 0.00 -0.57 0.00 0.00 34.95 33.13 1jnt s ARG 53 CO -0.11 -0.96 1.61 0.00 -1.08 0.00 0.00 175.30 174.77 1jnt n GLN 54 N -2.60 0.13 -2.70 3.89 10.64 -1.26 -3.27 117.38 122.22 1jnt n GLN 54 Ca 0.08 0.60 -0.39 0.00 -1.83 0.00 0.00 57.00 55.46 1jnt n GLN 54 Cb 0.60 -1.91 0.01 0.00 -0.86 0.00 0.00 30.24 28.08 1jnt n GLN 54 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1jnt n GLY 55 N -1.18 6.04 1.66 2.61 0.00 -1.26 -4.58 105.19 108.47 1jnt n GLY 55 Ca -0.01 -2.61 0.00 0.00 0.00 0.00 0.00 46.02 43.40 1jnt n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jnt n GLN 56 N -0.02 0.00 -0.02 1.61 1.13 -1.20 -5.05 117.38 113.82 1jnt n GLN 56 Ca 0.44 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.48 1jnt n GLN 56 Cb 0.28 -0.14 -0.01 0.00 0.11 0.00 0.00 30.24 30.48 1jnt n GLN 56 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 1jnt n MET 57 N -3.30 0.15 -3.70 -1.09 1.56 -1.26 -5.09 117.12 104.38 1jnt n MET 57 Ca 0.00 0.06 -0.12 0.00 -0.27 0.00 0.00 57.70 57.36 1jnt n MET 57 Cb 0.00 -0.66 -0.09 0.00 2.15 0.00 0.00 33.22 34.61 1jnt n MET 57 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 1jnt s VAL 58 N -1.65 -0.00 0.10 1.12 0.11 -1.26 -5.06 120.40 113.76 1jnt s VAL 58 Ca -0.08 0.02 -0.25 0.00 -2.93 0.00 0.00 61.98 58.74 1jnt s VAL 58 Cb 0.01 -0.71 -0.11 0.00 -1.53 0.00 0.00 36.38 34.04 1jnt s VAL 58 CO 0.12 0.01 1.69 1.55 -3.33 0.00 0.00 175.10 175.13 1jnt h PRO 59 N 5.75 -0.25 -1.50 1.54 0.13 -1.99 -1.83 132.00 133.85 1jnt h PRO 59 Ca -0.29 0.02 0.43 0.00 -0.87 0.00 0.00 66.00 65.29 1jnt h PRO 59 Cb 1.18 0.06 -0.06 0.00 0.13 0.00 0.00 31.00 32.31 1jnt h PRO 59 CO 0.20 -0.17 1.11 0.00 -0.23 0.00 0.00 178.00 178.91 1jnt n ALA 60 N -2.35 1.44 -0.36 -0.56 0.00 -1.26 0.31 120.51 117.72 1jnt n ALA 60 Ca -0.07 0.49 0.01 0.00 0.00 0.00 0.00 53.44 53.87 1jnt n ALA 60 Cb 0.17 -0.86 0.15 0.00 0.00 0.00 0.00 19.45 18.91 1jnt n ALA 60 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1jnt h PHE 61 N 0.00 1.19 -0.94 0.00 3.04 -1.73 0.16 116.94 118.65 1jnt h PHE 61 Ca 0.71 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.70 1jnt h PHE 61 Cb 2.92 -0.39 -0.05 0.00 2.56 0.00 0.00 35.95 40.99 1jnt h PHE 61 CO 0.00 0.65 0.63 0.22 -2.02 0.00 0.00 178.31 177.79 1jnt h ASP 62 N 1.20 1.08 0.05 0.41 1.82 0.47 0.78 116.42 122.23 1jnt h ASP 62 Ca 0.41 -0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 57.02 1jnt h ASP 62 Cb 0.07 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 39.81 1jnt h ASP 62 CO -0.15 0.78 -0.03 0.11 -1.61 0.00 0.00 179.24 178.35 1jnt h LYS 63 N 1.28 -0.07 -0.09 0.28 1.57 -0.98 0.16 116.57 118.72 1jnt h LYS 63 Ca 0.35 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.08 1jnt h LYS 63 Cb -0.15 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 1jnt h LYS 63 CO -0.08 -0.05 -0.14 -0.24 -0.57 0.00 0.00 179.45 178.37 1jnt h VAL 64 N -0.07 1.39 -0.68 0.50 3.04 -1.13 0.51 116.25 119.80 1jnt h VAL 64 Ca -0.01 -1.39 0.20 0.00 -1.01 0.00 0.00 66.70 64.49 1jnt h VAL 64 Cb 0.06 2.09 -0.03 0.00 -2.01 0.00 0.00 31.29 31.40 1jnt h VAL 64 CO 0.01 0.39 0.49 1.62 -1.01 0.00 0.00 177.57 179.08 1jnt h VAL 65 N -0.19 0.66 -0.18 1.51 3.04 -0.83 2.10 116.25 122.37 1jnt h VAL 65 Ca 0.01 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.70 1jnt h VAL 65 Cb 0.70 0.66 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1jnt h VAL 65 CO 0.03 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 177.08 1jnt n PHE 66 N -4.33 0.22 0.00 3.17 3.72 0.04 -4.44 117.46 115.83 1jnt n PHE 66 Ca 0.13 -0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1jnt n PHE 66 Cb 0.75 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.29 1jnt n PHE 66 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1jnt n SER 67 N 1.01 0.00 -4.72 4.37 2.88 0.69 -4.96 113.62 112.90 1jnt n SER 67 Ca 0.17 0.12 -0.34 0.00 -1.33 0.00 0.00 58.87 57.50 1jnt n SER 67 Cb 0.51 -0.47 -0.08 0.00 -0.75 0.00 0.00 64.21 63.41 1jnt n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jnt s PRO 69 N -1.29 1.56 1.19 0.00 0.04 -1.26 -4.46 135.00 130.77 1jnt s PRO 69 Ca 0.17 0.80 -0.16 0.00 0.04 0.00 0.00 61.00 61.86 1jnt s PRO 69 Cb -0.12 -1.84 0.24 0.00 0.04 0.00 0.00 34.50 32.82 1jnt s PRO 69 CO 0.07 -2.03 0.65 1.55 0.04 0.00 0.00 177.00 177.28 1jnt n VAL 70 N -3.74 0.00 -3.02 -0.36 3.14 -1.26 -3.24 118.33 109.85 1jnt n VAL 70 Ca 0.07 -0.40 -0.23 0.00 -2.96 0.00 0.00 64.34 60.82 1jnt n VAL 70 Cb 0.55 -0.86 0.04 0.00 -1.06 0.00 0.00 33.84 32.51 1jnt n VAL 70 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1jnt n LEU 71 N -3.90 -2.71 -3.13 6.55 4.32 0.61 -4.94 117.00 113.81 1jnt n LEU 71 Ca 0.02 -0.29 0.02 0.00 -0.02 0.00 0.00 56.01 55.75 1jnt n LEU 71 Cb 0.57 -3.00 -0.00 0.00 -1.62 0.00 0.00 43.42 39.36 1jnt n LEU 71 CO 0.55 0.23 0.18 -0.70 -1.22 0.00 0.00 177.39 176.43 1jnt s GLU 72 N -5.70 0.60 0.44 3.23 2.12 -1.20 -5.05 118.70 113.14 1jnt s GLU 72 Ca 0.30 0.02 -0.24 0.00 0.36 0.00 0.00 54.97 55.41 1jnt s GLU 72 Cb -0.13 0.13 -0.10 0.00 0.26 0.00 0.00 34.13 34.28 1jnt s GLU 72 CO 0.38 -0.94 1.03 -0.35 -0.54 0.00 0.00 175.26 174.84 1jnt n PRO 73 N 4.64 1.37 -3.92 4.30 -0.04 -1.26 -4.53 135.00 135.56 1jnt n PRO 73 Ca 0.08 0.49 -0.11 0.00 -0.04 0.00 0.00 63.50 63.93 1jnt n PRO 73 Cb 0.57 -2.09 -0.13 0.00 -0.04 0.00 0.00 33.50 31.81 1jnt n PRO 73 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1jnt s THR 74 N -1.29 0.05 -4.16 0.52 2.01 -0.65 -5.00 115.64 107.12 1jnt s THR 74 Ca 0.64 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.33 1jnt s THR 74 Cb -0.53 -0.11 0.00 0.00 0.01 0.00 0.00 72.50 71.87 1jnt s THR 74 CO 0.56 -0.16 0.00 0.61 -0.69 0.00 0.00 174.62 174.94 1jnt n GLY 75 N 2.58 0.98 3.74 4.40 0.00 -1.26 -1.23 105.19 114.40 1jnt n GLY 75 Ca -0.16 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 1jnt n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jnt s PRO 76 N -1.10 4.55 0.24 1.61 0.04 -1.26 -5.00 135.00 134.08 1jnt s PRO 76 Ca 0.00 1.83 0.05 0.00 0.04 0.00 0.00 61.00 62.92 1jnt s PRO 76 Cb 0.00 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 1jnt s PRO 76 CO 0.00 0.02 0.35 -1.17 0.04 0.00 0.00 177.00 176.24 1jnt s LEU 77 N -0.60 4.27 0.11 -3.56 2.96 0.66 -4.83 118.68 117.70 1jnt s LEU 77 Ca 0.50 0.04 -0.30 0.00 -0.22 0.00 0.00 54.13 54.14 1jnt s LEU 77 Cb -0.32 -2.82 -0.06 0.00 0.50 0.00 0.00 46.19 43.49 1jnt s LEU 77 CO 0.38 -0.08 1.06 -1.00 -1.32 0.00 0.00 176.35 175.38 1jnt s HIS 78 N -2.00 3.65 0.08 5.38 3.76 -1.26 -0.99 115.29 123.90 1jnt s HIS 78 Ca 0.34 1.63 -0.10 0.00 -0.15 0.00 0.00 55.06 56.78 1jnt s HIS 78 Cb -0.09 -3.21 0.00 0.00 1.11 0.00 0.00 32.58 30.40 1jnt s HIS 78 CO 0.29 -0.38 0.22 -0.08 -0.85 0.00 0.00 174.74 173.94 1jnt s THR 79 N 0.22 0.12 0.51 1.30 -1.32 -0.70 -4.84 115.64 110.93 1jnt s THR 79 Ca 0.50 -1.02 0.15 0.00 -1.21 0.00 0.00 61.69 60.12 1jnt s THR 79 Cb -0.26 -1.19 0.27 0.00 -1.51 0.00 0.00 72.50 69.81 1jnt s THR 79 CO 0.31 -0.56 2.14 1.56 -2.21 0.00 0.00 174.62 175.86 1jnt h GLN 80 N 2.93 0.05 0.00 7.08 4.20 -2.02 -1.27 115.11 126.09 1jnt h GLN 80 Ca -0.33 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.37 1jnt h GLN 80 Cb 1.20 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1jnt h GLN 80 CO 0.53 0.04 0.00 1.19 -0.67 0.00 0.00 178.83 179.92 1jnt n PHE 81 N -4.53 0.00 0.00 2.96 3.01 -1.26 -5.00 117.46 112.64 1jnt n PHE 81 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1jnt n PHE 81 Cb 0.09 -0.50 0.00 0.00 -0.01 0.00 0.00 39.48 39.06 1jnt n PHE 81 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jnt n GLY 82 N 1.48 0.33 3.00 1.37 0.00 -0.48 -4.72 105.19 106.17 1jnt n GLY 82 Ca 0.07 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 1jnt n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jnt s TYR 83 N 0.00 1.32 -0.23 1.61 2.02 -0.51 -1.72 117.35 119.85 1jnt s TYR 83 Ca 0.00 -0.47 -0.08 0.00 -0.37 0.00 0.00 57.07 56.14 1jnt s TYR 83 Cb 0.00 -0.99 -0.04 0.00 -0.40 0.00 0.00 41.96 40.53 1jnt s TYR 83 CO 0.00 -0.26 0.09 -1.01 -1.57 0.00 0.00 175.55 172.80 1jnt s HIS 84 N 0.70 3.19 -0.18 2.71 3.76 -0.16 -1.39 115.29 123.93 1jnt s HIS 84 Ca -0.14 -0.08 -0.04 0.00 -0.15 0.00 0.00 55.06 54.65 1jnt s HIS 84 Cb -0.16 -2.20 -0.03 0.00 1.11 0.00 0.00 32.58 31.31 1jnt s HIS 84 CO 0.03 -0.08 -0.02 -1.50 -0.85 0.00 0.00 174.74 172.32 1jnt s ILE 85 N 1.09 3.96 -0.04 0.60 2.07 -0.91 -0.24 121.20 127.72 1jnt s ILE 85 Ca 0.05 -0.32 0.03 0.00 -1.41 0.00 0.00 60.65 59.00 1jnt s ILE 85 Cb -0.14 -2.76 0.01 0.00 0.13 0.00 0.00 42.46 39.69 1jnt s ILE 85 CO 0.04 0.46 -0.11 -0.63 -1.91 0.00 0.00 174.94 172.79 1jnt s ILE 86 N 0.63 1.01 -0.21 2.00 1.01 -0.37 -1.91 121.20 123.36 1jnt s ILE 86 Ca -0.01 -0.46 -0.10 0.00 0.00 0.00 0.00 60.65 60.08 1jnt s ILE 86 Cb -0.14 -0.90 -0.05 0.00 0.01 0.00 0.00 42.46 41.38 1jnt s ILE 86 CO 0.02 0.31 0.14 -0.75 0.00 0.00 0.00 174.94 174.66 1jnt s LYS 87 N 0.32 4.16 -0.16 2.79 2.20 -0.33 -1.64 119.74 127.08 1jnt s LYS 87 Ca -0.07 -0.23 -0.05 0.00 -0.36 0.00 0.00 55.97 55.26 1jnt s LYS 87 Cb -0.11 -3.45 -0.03 0.00 -1.51 0.00 0.00 37.83 32.73 1jnt s LYS 87 CO 0.02 0.25 0.02 0.08 -0.36 0.00 0.00 175.35 175.35 1jnt s VAL 88 N 0.52 4.40 0.00 4.02 1.01 -1.26 -2.07 120.40 127.01 1jnt s VAL 88 Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1jnt s VAL 88 Cb -0.12 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1jnt s VAL 88 CO -0.01 0.50 0.00 0.18 0.00 0.00 0.00 175.10 175.77 1jnt n LEU 89 N 3.29 0.00 0.00 3.92 4.77 0.90 -0.28 117.00 129.60 1jnt n LEU 89 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1jnt n LEU 89 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1jnt n LEU 89 CO 0.33 0.00 0.00 -1.22 -1.33 0.00 0.00 177.39 175.17 1jnt n TYR 90 N 0.00 0.00 -3.45 -1.77 4.02 -1.26 -2.57 117.16 112.13 1jnt n TYR 90 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.71 1jnt n TYR 90 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 39.34 39.41 1jnt n TYR 90 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1jnt n ARG 91 N 0.00 -6.80 0.00 -0.72 0.63 -1.12 -4.84 116.66 103.81 1jnt n ARG 91 Ca 0.00 0.85 0.00 0.00 -0.92 0.00 0.00 57.85 57.78 1jnt n ARG 91 Cb 0.00 -5.86 0.00 0.00 0.45 0.00 0.00 32.46 27.05 1jnt n ARG 91 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21