#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jns h LYS 2 N 0.00 1.32 -4.19 0.00 3.64 -1.82 -3.44 116.57 112.08 1jns h LYS 2 Ca 0.00 -0.08 -0.15 0.00 -1.27 0.00 0.00 60.65 59.16 1jns h LYS 2 Cb 0.00 -0.30 -0.17 0.00 -0.41 0.00 0.00 32.23 31.35 1jns h LYS 2 CO 0.00 0.88 -0.69 0.95 -2.27 0.00 0.00 179.45 178.32 1jns s THR 3 N -6.12 0.22 0.01 1.00 -4.23 -1.23 -4.37 115.64 100.92 1jns s THR 3 Ca -0.13 -1.51 0.01 0.00 -1.18 0.00 0.00 61.69 58.88 1jns s THR 3 Cb 0.18 -1.10 -0.01 0.00 1.34 0.00 0.00 72.50 72.91 1jns s THR 3 CO 0.82 -0.82 -0.03 0.00 -0.54 0.00 0.00 174.62 174.05 1jns s ALA 4 N -3.05 0.20 -0.14 3.99 0.00 0.41 0.20 121.76 123.36 1jns s ALA 4 Ca -0.01 -0.28 -0.15 0.00 0.00 0.00 0.00 51.96 51.52 1jns s ALA 4 Cb 0.02 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1jns s ALA 4 CO -0.07 -0.01 0.36 0.00 0.00 0.00 0.00 175.76 176.04 1jns s ALA 5 N -0.52 3.55 -0.10 0.00 0.00 -0.50 -1.71 121.76 122.47 1jns s ALA 5 Ca -0.04 -0.35 -0.07 0.00 0.00 0.00 0.00 51.96 51.50 1jns s ALA 5 Cb -0.04 -2.48 0.04 0.00 0.00 0.00 0.00 23.12 20.63 1jns s ALA 5 CO -0.00 0.07 0.25 0.00 0.00 0.00 0.00 175.76 176.08 1jns s ALA 6 N 0.49 -0.60 0.08 0.00 0.00 -0.75 -0.81 121.76 120.18 1jns s ALA 6 Ca 0.20 0.86 0.04 0.00 0.00 0.00 0.00 51.96 53.06 1jns s ALA 6 Cb -0.14 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1jns s ALA 6 CO 0.06 -0.16 0.03 -0.51 0.00 0.00 0.00 175.76 175.19 1jns s LEU 7 N 0.71 3.61 0.01 0.00 1.43 -0.94 -3.71 118.68 119.79 1jns s LEU 7 Ca -0.05 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 1jns s LEU 7 Cb -0.06 -2.31 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 1jns s LEU 7 CO -0.04 0.18 -0.06 -1.00 0.23 0.00 0.00 176.35 175.66 1jns s HIS 8 N -1.34 0.49 -0.05 0.29 3.76 0.12 -1.00 115.29 117.56 1jns s HIS 8 Ca 0.27 -0.22 0.02 0.00 -0.15 0.00 0.00 55.06 54.98 1jns s HIS 8 Cb -0.12 -0.31 0.01 0.00 1.11 0.00 0.00 32.58 33.28 1jns s HIS 8 CO 0.20 -0.04 -0.09 0.42 -0.85 0.00 0.00 174.74 174.38 1jns s ILE 9 N -0.54 0.90 -0.26 0.60 1.01 -0.68 -2.82 121.20 119.42 1jns s ILE 9 Ca -0.02 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.19 1jns s ILE 9 Cb -0.05 -0.84 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 1jns s ILE 9 CO -0.00 0.30 0.10 -0.22 0.00 0.00 0.00 174.94 175.12 1jns s LEU 10 N 0.67 3.58 -0.20 2.97 0.20 -1.26 -2.11 118.68 122.52 1jns s LEU 10 Ca -0.12 -0.16 -0.07 0.00 0.69 0.00 0.00 54.13 54.46 1jns s LEU 10 Cb -0.14 -1.97 -0.04 0.00 -0.43 0.00 0.00 46.19 43.61 1jns s LEU 10 CO 0.02 -0.04 0.06 -0.69 -0.29 0.00 0.00 176.35 175.41 1jns s VAL 11 N 1.65 4.54 0.15 1.68 1.01 -0.79 -4.48 120.40 124.16 1jns s VAL 11 Ca 0.07 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 1jns s VAL 11 Cb -0.15 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 1jns s VAL 11 CO 0.05 0.42 1.50 0.11 0.00 0.00 0.00 175.10 177.19 1jns h LYS 12 N 7.22 0.97 -6.11 2.72 1.79 -1.89 -2.83 116.57 118.45 1jns h LYS 12 Ca -0.36 -0.47 -0.68 0.00 -2.18 0.00 0.00 60.65 56.95 1jns h LYS 12 Cb 1.17 -0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.65 1jns h LYS 12 CO 0.65 1.14 -0.67 -1.21 -1.08 0.00 0.00 179.45 178.28 1jns s GLU 13 N -4.50 2.80 0.13 3.15 2.02 -1.26 -4.84 118.70 116.20 1jns s GLU 13 Ca -0.11 -0.52 -0.19 0.00 0.02 0.00 0.00 54.97 54.17 1jns s GLU 13 Cb 0.12 -2.65 -0.05 0.00 0.10 0.00 0.00 34.13 31.65 1jns s GLU 13 CO 0.88 0.67 1.78 0.93 0.02 0.00 0.00 175.26 179.54 1jns h GLU 14 N 5.12 0.34 -0.94 1.61 5.08 -1.99 -0.32 114.58 123.47 1jns h GLU 14 Ca -0.49 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 57.87 1jns h GLU 14 Cb 1.18 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 1jns h GLU 14 CO 0.53 0.23 0.62 0.87 -1.00 0.00 0.00 179.01 180.26 1jns h LYS 15 N 0.34 1.20 -0.51 2.33 1.57 -1.99 0.34 116.57 119.85 1jns h LYS 15 Ca 0.09 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 1jns h LYS 15 Cb -0.03 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 31.99 1jns h LYS 15 CO -0.02 0.79 -0.18 1.25 -0.57 0.00 0.00 179.45 180.72 1jns h LEU 16 N 1.23 1.04 -0.65 2.94 6.46 -1.89 -0.31 115.31 124.13 1jns h LEU 16 Ca 0.36 -0.38 0.02 0.00 -0.12 0.00 0.00 57.88 57.76 1jns h LEU 16 Cb -0.07 -0.29 -0.04 0.00 -0.73 0.00 0.00 40.66 39.53 1jns h LEU 16 CO -0.10 1.18 0.41 0.00 -0.62 0.00 0.00 178.44 179.31 1jns h ALA 17 N 0.89 0.84 -0.70 1.25 0.00 -0.33 0.79 119.26 122.01 1jns h ALA 17 Ca 0.12 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1jns h ALA 17 Cb 0.76 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1jns h ALA 17 CO 0.06 0.18 0.46 -0.07 0.00 0.00 0.00 179.25 179.88 1jns h LEU 18 N 0.81 0.80 -0.85 0.00 3.38 -0.59 -0.74 115.31 118.13 1jns h LEU 18 Ca 0.25 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1jns h LEU 18 Cb -0.01 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1jns h LEU 18 CO -0.09 0.58 0.56 -0.78 0.09 0.00 0.00 178.44 178.80 1jns h ASP 19 N 0.94 0.97 -0.29 -0.43 1.82 0.18 -1.65 116.42 117.96 1jns h ASP 19 Ca 0.26 -0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.85 1jns h ASP 19 Cb -0.10 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 39.65 1jns h ASP 19 CO -0.06 0.70 0.09 0.17 -1.61 0.00 0.00 179.24 178.53 1jns h LEU 20 N 1.15 0.43 -0.09 2.28 8.10 -0.20 -2.21 115.31 124.76 1jns h LEU 20 Ca 0.31 -0.21 0.02 0.00 0.11 0.00 0.00 57.88 58.11 1jns h LEU 20 Cb -0.13 -0.11 -0.02 0.00 -0.44 0.00 0.00 40.66 39.96 1jns h LEU 20 CO -0.07 0.53 -0.02 -0.07 -4.11 0.00 0.00 178.44 174.70 1jns h LEU 21 N 0.31 -0.09 -1.31 0.17 3.38 -0.69 -2.17 115.31 114.91 1jns h LEU 21 Ca 0.09 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1jns h LEU 21 Cb 0.26 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1jns h LEU 21 CO -0.00 -0.03 0.46 -0.08 0.09 0.00 0.00 178.44 178.88 1jns h GLU 22 N -0.00 0.92 -1.01 1.13 4.81 -1.28 -2.79 114.58 116.36 1jns h GLU 22 Ca 0.04 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1jns h GLU 22 Cb 0.07 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.19 1jns h GLU 22 CO -0.09 0.61 0.67 0.37 -0.73 0.00 0.00 179.01 179.84 1jns h GLN 23 N 0.95 1.33 -0.62 1.92 5.75 -0.74 -2.36 115.11 121.33 1jns h GLN 23 Ca 0.26 -0.08 -0.04 0.00 -0.15 0.00 0.00 58.65 58.63 1jns h GLN 23 Cb -0.11 -0.30 -0.03 0.00 1.07 0.00 0.00 27.48 28.11 1jns h GLN 23 CO -0.06 0.88 0.21 0.82 -2.65 0.00 0.00 178.83 178.04 1jns h ILE 24 N 1.37 1.24 -0.44 2.39 2.04 -1.31 0.51 117.51 123.32 1jns h ILE 24 Ca 0.37 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1jns h ILE 24 Cb -0.16 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1jns h ILE 24 CO -0.08 0.31 0.29 0.50 0.00 0.00 0.00 178.15 179.17 1jns h LYS 25 N 0.88 0.57 0.26 2.37 3.64 -1.52 1.54 116.57 124.31 1jns h LYS 25 Ca 0.20 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1jns h LYS 25 Cb 0.26 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1jns h LYS 25 CO -0.01 0.38 -0.13 -0.97 -2.27 0.00 0.00 179.45 176.45 1jns h ASN 26 N 0.59 -0.31 0.00 4.20 -0.73 -0.99 -3.40 115.58 114.95 1jns h ASN 26 Ca 0.16 0.01 -0.26 0.00 1.87 0.00 0.00 56.30 58.09 1jns h ASN 26 Cb -0.07 0.08 -0.05 0.00 0.27 0.00 0.00 38.32 38.56 1jns h ASN 26 CO -0.04 -0.22 -1.97 0.61 -0.37 0.00 0.00 177.43 175.45 1jns n GLY 27 N -1.18 -0.46 5.12 1.57 0.00 0.18 -5.11 105.19 105.31 1jns n GLY 27 Ca -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1jns n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jns n ALA 28 N -2.76 0.00 -1.60 4.61 0.00 0.52 -4.95 120.51 116.33 1jns n ALA 28 Ca -0.27 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.17 1jns n ALA 28 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.34 1jns n ALA 28 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jns n ASP 29 N 0.23 -2.38 -0.24 0.00 -0.08 -1.26 -4.54 116.55 108.28 1jns n ASP 29 Ca 0.00 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.22 1jns n ASP 29 Cb 0.00 -1.28 0.04 0.00 2.34 0.00 0.00 41.12 42.22 1jns n ASP 29 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1jns h PHE 30 N 0.05 0.96 -0.55 -0.67 -1.00 -1.97 -2.81 116.94 110.94 1jns h PHE 30 Ca 0.00 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.73 1jns h PHE 30 Cb 0.85 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 40.09 1jns h PHE 30 CO 0.01 0.72 0.36 0.78 -1.61 0.00 0.00 178.31 178.57 1jns h GLY 31 N 0.92 0.79 1.06 -1.45 0.00 -1.93 -1.77 103.07 100.69 1jns h GLY 31 Ca 0.23 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 1jns h GLY 31 CO -0.03 0.30 0.26 0.50 0.00 0.00 0.00 176.54 177.57 1jns h LYS 32 N 0.75 1.18 -0.84 4.80 1.79 -1.90 -2.32 116.57 120.02 1jns h LYS 32 Ca 0.20 -0.24 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 1jns h LYS 32 Cb -0.06 -0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 30.37 1jns h LYS 32 CO -0.04 0.98 0.39 -0.07 -1.08 0.00 0.00 179.45 179.63 1jns h LEU 33 N 1.13 1.11 -0.22 2.94 3.38 -1.22 -2.71 115.31 119.73 1jns h LEU 33 Ca 0.25 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1jns h LEU 33 Cb 0.28 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1jns h LEU 33 CO -0.01 0.95 0.07 0.00 0.09 0.00 0.00 178.44 179.53 1jns h ALA 34 N 1.22 0.24 -0.13 1.53 0.00 -0.78 0.28 119.26 121.62 1jns h ALA 34 Ca 0.29 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1jns h ALA 34 Cb 0.14 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1jns h ALA 34 CO -0.03 -0.35 0.05 -0.22 0.00 0.00 0.00 179.25 178.70 1jns h LYS 35 N 0.17 0.12 -0.26 0.00 3.64 -1.33 -0.67 116.57 118.23 1jns h LYS 35 Ca 0.09 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 1jns h LYS 35 Cb 0.07 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1jns h LYS 35 CO -0.10 0.08 -0.29 -0.22 -2.27 0.00 0.00 179.45 176.65 1jns h LYS 36 N 0.12 0.65 0.00 1.90 3.64 -1.18 -3.27 116.57 118.44 1jns h LYS 36 Ca 0.05 -0.36 -0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1jns h LYS 36 Cb 0.02 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1jns h LYS 36 CO -0.05 0.96 -0.01 0.45 -2.27 0.00 0.00 179.45 178.54 1jns h HIS 37 N 0.38 0.00 -0.99 1.91 3.86 -0.39 -3.36 115.15 116.55 1jns h HIS 37 Ca 0.04 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1jns h HIS 37 Cb 0.86 -0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.28 1jns h HIS 37 CO 0.08 1.00 0.65 0.77 0.86 0.00 0.00 177.93 181.29 1jns h SER 38 N -1.00 1.15 -4.50 2.45 0.02 -1.28 -3.45 113.55 106.95 1jns h SER 38 Ca -0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1jns h SER 38 Cb 1.00 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1jns h SER 38 CO -0.00 0.84 0.00 0.00 -1.14 0.00 0.00 176.83 176.53 1jns n ILE 39 N -4.38 0.00 -4.42 3.27 0.13 -1.23 -4.82 119.36 107.91 1jns n ILE 39 Ca 0.12 0.00 -0.22 0.00 -1.10 0.00 0.00 62.75 61.55 1jns n ILE 39 Cb 0.02 0.00 -0.10 0.00 -0.84 0.00 0.00 39.64 38.72 1jns n ILE 39 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1jns h PRO 41 N 2.39 0.00 -0.43 0.00 0.13 -2.03 1.18 132.00 133.23 1jns h PRO 41 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1jns h PRO 41 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1jns h PRO 41 CO 0.61 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.25 1jns n SER 42 N -2.97 4.19 -0.05 1.44 3.41 -1.26 -4.32 113.62 114.05 1jns n SER 42 Ca -0.01 -2.63 -0.12 0.00 -0.26 0.00 0.00 58.87 55.85 1jns n SER 42 Cb 0.44 -0.51 -0.11 0.00 -0.26 0.00 0.00 64.21 63.77 1jns n SER 42 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1jns h GLY 43 N 2.79 -0.02 1.01 5.00 0.00 0.11 2.20 103.07 114.16 1jns h GLY 43 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.35 1jns h GLY 43 CO 0.21 -0.01 0.67 1.70 0.00 0.00 0.00 176.54 179.12 1jns h LYS 44 N -0.94 1.33 0.03 4.80 3.64 -1.77 -0.20 116.57 123.46 1jns h LYS 44 Ca -0.00 -0.08 -0.38 0.00 -1.27 0.00 0.00 60.65 58.91 1jns h LYS 44 Cb 0.81 -0.30 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 1jns h LYS 44 CO 0.00 0.88 -2.28 -2.13 -2.27 0.00 0.00 179.45 173.65 1jns n ARG 45 N -4.38 0.67 0.24 1.90 3.00 -1.24 -4.17 116.66 112.67 1jns n ARG 45 Ca 0.12 0.22 0.07 0.00 -0.00 0.00 0.00 57.85 58.27 1jns n ARG 45 Cb 0.01 -1.58 0.57 0.00 0.00 0.00 0.00 32.46 31.46 1jns n ARG 45 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1jns h GLY 46 N 1.14 0.00 0.98 5.14 0.00 0.36 0.36 103.07 111.05 1jns h GLY 46 Ca -0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1jns h GLY 46 CO -0.10 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.05 1jns n GLY 47 N -1.03 -0.70 2.69 4.60 0.00 -0.09 0.15 105.19 110.82 1jns n GLY 47 Ca -0.02 -0.14 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 1jns n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jns n ASP 48 N -0.99 -1.74 0.17 1.61 5.75 0.10 -4.57 116.55 116.88 1jns n ASP 48 Ca 0.16 -2.53 0.02 0.00 -0.01 0.00 0.00 54.79 52.43 1jns n ASP 48 Cb 0.08 1.38 0.29 0.00 -1.03 0.00 0.00 41.12 41.84 1jns n ASP 48 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1jns h LEU 49 N 2.77 0.00 0.00 -2.12 3.38 -0.98 -3.45 115.31 114.91 1jns h LEU 49 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1jns h LEU 49 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1jns h LEU 49 CO 0.04 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.64 1jns n GLY 50 N -0.09 0.37 3.49 0.83 0.00 -1.25 -4.89 105.19 103.64 1jns n GLY 50 Ca -0.01 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.15 1jns n GLY 50 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jns s GLU 51 N 0.00 2.94 0.00 1.61 2.12 -1.26 -1.80 118.70 122.31 1jns s GLU 51 Ca 0.00 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 54.71 1jns s GLU 51 Cb 0.00 -2.57 0.00 0.00 0.26 0.00 0.00 34.13 31.82 1jns s GLU 51 CO 0.00 0.49 0.00 1.97 -0.54 0.00 0.00 175.26 177.18 1jns n PHE 52 N 2.72 0.00 -0.24 5.30 1.16 -0.70 -4.89 117.46 120.82 1jns n PHE 52 Ca -0.18 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.32 1jns n PHE 52 Cb 0.53 0.00 0.04 0.00 -1.61 0.00 0.00 39.48 38.43 1jns n PHE 52 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1jns h ARG 53 N 0.00 1.10 0.00 3.97 3.08 -1.87 0.12 114.38 120.78 1jns h ARG 53 Ca 0.00 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 1jns h ARG 53 Cb 0.00 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1jns h ARG 53 CO 0.00 1.00 -0.03 0.00 -1.07 0.00 0.00 179.97 179.87 1jns n GLN 54 N -4.24 0.00 0.00 0.04 10.64 -1.26 -3.50 117.38 119.06 1jns n GLN 54 Ca 0.04 -0.10 0.00 0.00 -1.83 0.00 0.00 57.00 55.12 1jns n GLN 54 Cb 0.28 0.49 0.00 0.00 -0.86 0.00 0.00 30.24 30.15 1jns n GLN 54 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1jns n GLY 55 N -0.00 2.22 5.00 2.61 0.00 -1.26 -4.43 105.19 109.32 1jns n GLY 55 Ca -0.03 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1jns n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jns n GLN 56 N 0.00 0.00 -0.26 1.61 6.02 -1.26 -4.41 117.38 119.08 1jns n GLN 56 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.01 1jns n GLN 56 Cb 0.00 0.00 0.14 0.00 1.02 0.00 0.00 30.24 31.40 1jns n GLN 56 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 1jns h MET 57 N 0.00 0.66 -3.42 -1.09 4.05 -2.05 -3.42 114.93 109.66 1jns h MET 57 Ca 0.00 -0.04 -0.26 0.00 -0.28 0.00 0.00 59.70 59.12 1jns h MET 57 Cb 0.00 -0.15 -0.32 0.00 -0.80 0.00 0.00 31.60 30.34 1jns h MET 57 CO 0.00 0.44 -0.65 0.54 0.23 0.00 0.00 176.91 177.46 1jns s VAL 58 N -6.05 -0.04 0.08 -5.77 0.11 -1.26 -5.04 120.40 102.42 1jns s VAL 58 Ca -0.13 0.15 -0.23 0.00 -2.93 0.00 0.00 61.98 58.85 1jns s VAL 58 Cb 0.18 -0.15 -0.14 0.00 -1.53 0.00 0.00 36.38 34.74 1jns s VAL 58 CO 0.77 0.06 1.70 1.55 -3.33 0.00 0.00 175.10 175.85 1jns h PRO 59 N 7.00 0.04 -1.43 1.54 0.13 -1.98 -2.43 132.00 134.87 1jns h PRO 59 Ca -0.40 -0.00 0.42 0.00 -0.87 0.00 0.00 66.00 65.14 1jns h PRO 59 Cb 1.15 -0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.21 1jns h PRO 59 CO 0.45 0.07 1.08 0.00 -0.23 0.00 0.00 178.00 179.37 1jns h ALA 60 N 0.97 3.35 -0.58 -0.56 0.00 -1.96 0.52 119.26 121.00 1jns h ALA 60 Ca 0.01 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1jns h ALA 60 Cb 0.04 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1jns h ALA 60 CO -0.00 -1.81 0.38 0.35 0.00 0.00 0.00 179.25 178.17 1jns h PHE 61 N 0.00 0.72 -0.81 0.00 3.57 -1.81 -1.68 116.94 116.94 1jns h PHE 61 Ca 0.68 0.02 0.01 0.00 3.53 0.00 0.00 57.97 62.21 1jns h PHE 61 Cb 2.82 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 41.28 1jns h PHE 61 CO 0.00 0.46 0.54 0.22 -2.23 0.00 0.00 178.31 177.29 1jns h ASP 62 N 0.78 0.92 -0.26 0.41 1.82 -0.08 -1.97 116.42 118.05 1jns h ASP 62 Ca 0.21 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.83 1jns h ASP 62 Cb -0.09 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 39.68 1jns h ASP 62 CO -0.05 0.67 0.17 0.11 -1.61 0.00 0.00 179.24 178.54 1jns h LYS 63 N 1.09 0.34 -0.06 0.28 1.57 -1.25 0.12 116.57 118.66 1jns h LYS 63 Ca 0.30 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.98 1jns h LYS 63 Cb -0.12 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.11 1jns h LYS 63 CO -0.07 0.23 -0.25 -0.24 -0.57 0.00 0.00 179.45 178.55 1jns h VAL 64 N 0.35 1.44 0.00 0.50 3.04 -1.07 1.91 116.25 122.41 1jns h VAL 64 Ca 0.10 -1.66 -0.00 0.00 -1.01 0.00 0.00 66.70 64.12 1jns h VAL 64 Cb -0.04 2.34 -0.00 0.00 -2.01 0.00 0.00 31.29 31.58 1jns h VAL 64 CO -0.02 0.47 -0.00 1.62 -1.01 0.00 0.00 177.57 178.63 1jns h VAL 65 N -0.23 0.21 0.00 1.51 3.04 -1.39 2.39 116.25 121.77 1jns h VAL 65 Ca -0.01 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 1jns h VAL 65 Cb 0.90 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.19 1jns h VAL 65 CO 0.05 0.00 -0.71 0.33 -1.01 0.00 0.00 177.57 176.24 1jns n PHE 66 N -3.38 0.34 -0.05 3.17 -0.00 0.42 -4.13 117.46 113.84 1jns n PHE 66 Ca -0.03 0.10 -0.03 0.00 -0.00 0.00 0.00 57.45 57.49 1jns n PHE 66 Cb 0.08 -0.50 -0.01 0.00 -0.00 0.00 0.00 39.48 39.05 1jns n PHE 66 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1jns h SER 67 N 0.00 0.00 -3.46 -2.13 0.87 1.26 -3.44 113.55 106.64 1jns h SER 67 Ca 0.00 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.02 1jns h SER 67 Cb 0.68 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.61 1jns h SER 67 CO 0.00 0.56 0.26 0.00 -0.53 0.00 0.00 176.83 177.12 1jns h PRO 69 N 5.95 -0.11 -1.10 0.00 0.11 -1.82 -3.36 132.00 131.66 1jns h PRO 69 Ca -0.43 0.01 0.34 0.00 0.11 0.00 0.00 66.00 66.03 1jns h PRO 69 Cb 1.21 0.02 -0.19 0.00 0.11 0.00 0.00 31.00 32.15 1jns h PRO 69 CO 0.72 -0.07 0.96 0.54 -0.21 0.00 0.00 178.00 179.94 1jns s VAL 70 N -3.37 0.00 -0.71 3.15 0.11 -1.26 -4.75 120.40 113.56 1jns s VAL 70 Ca -0.02 -0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 58.95 1jns s VAL 70 Cb 0.01 -1.22 0.06 0.00 -1.53 0.00 0.00 36.38 33.70 1jns s VAL 70 CO 0.08 0.00 0.20 0.18 -3.33 0.00 0.00 175.10 172.23 1jns n LEU 71 N -0.12 -0.54 -3.62 2.54 4.32 -1.01 -4.83 117.00 113.74 1jns n LEU 71 Ca 0.02 -0.04 -0.27 0.00 -0.02 0.00 0.00 56.01 55.69 1jns n LEU 71 Cb 0.58 -1.43 -0.11 0.00 -1.62 0.00 0.00 43.42 40.84 1jns n LEU 71 CO 0.09 0.03 -0.19 -0.62 -1.22 0.00 0.00 177.39 175.48 1jns n GLU 72 N -3.05 0.94 -1.62 3.23 -0.58 -1.26 -4.92 120.64 113.37 1jns n GLU 72 Ca 0.01 -3.78 -0.55 0.00 -0.42 0.00 0.00 57.16 52.42 1jns n GLU 72 Cb 0.51 -1.95 -0.07 0.00 -0.57 0.00 0.00 31.44 29.36 1jns n GLU 72 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1jns n PRO 73 N 2.43 1.00 -4.20 3.49 -0.02 -1.26 -4.68 135.00 131.76 1jns n PRO 73 Ca 0.25 0.36 -0.17 0.00 -2.02 0.00 0.00 63.50 61.93 1jns n PRO 73 Cb 0.42 -2.00 -0.15 0.00 -0.02 0.00 0.00 33.50 31.76 1jns n PRO 73 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1jns s THR 74 N 1.46 0.47 -5.00 3.45 2.01 -0.99 -5.01 115.64 112.03 1jns s THR 74 Ca 0.90 -0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.66 1jns s THR 74 Cb -1.04 -0.41 0.00 0.00 0.01 0.00 0.00 72.50 71.07 1jns s THR 74 CO 0.55 0.14 0.00 0.61 -0.69 0.00 0.00 174.62 175.23 1jns n GLY 75 N 3.00 0.63 3.75 4.40 0.00 -1.26 -2.44 105.19 113.27 1jns n GLY 75 Ca -0.14 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 1jns n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jns s PRO 76 N -1.93 4.41 0.01 1.61 0.04 -1.26 -4.98 135.00 132.90 1jns s PRO 76 Ca 0.00 2.06 -0.10 0.00 0.04 0.00 0.00 61.00 63.00 1jns s PRO 76 Cb 0.00 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.32 1jns s PRO 76 CO 0.00 -0.18 0.34 -1.17 0.04 0.00 0.00 177.00 176.03 1jns s LEU 77 N -0.69 4.40 0.16 -3.56 0.20 0.53 -4.76 118.68 114.96 1jns s LEU 77 Ca 0.53 0.76 -0.32 0.00 0.69 0.00 0.00 54.13 55.80 1jns s LEU 77 Cb -0.37 -2.67 -0.10 0.00 -0.43 0.00 0.00 46.19 42.62 1jns s LEU 77 CO 0.42 0.27 1.55 -2.28 -0.29 0.00 0.00 176.35 176.02 1jns s HIS 78 N -1.23 3.08 0.08 5.38 5.65 -1.26 -0.42 115.29 126.57 1jns s HIS 78 Ca 0.27 0.66 -0.06 0.00 0.25 0.00 0.00 55.06 56.17 1jns s HIS 78 Cb -0.14 -3.90 -0.01 0.00 -1.18 0.00 0.00 32.58 27.34 1jns s HIS 78 CO 0.14 -3.32 0.12 -0.08 -0.65 0.00 0.00 174.74 170.95 1jns s THR 79 N 1.13 0.16 -0.07 0.89 -1.32 -0.77 -4.85 115.64 110.81 1jns s THR 79 Ca 0.69 -1.40 0.28 0.00 -1.21 0.00 0.00 61.69 60.05 1jns s THR 79 Cb -0.43 -1.42 0.28 0.00 -1.51 0.00 0.00 72.50 69.42 1jns s THR 79 CO 0.31 -0.75 1.84 0.06 -2.21 0.00 0.00 174.62 173.87 1jns h GLN 80 N 2.87 0.00 -0.36 7.08 3.07 -2.02 -1.32 115.11 124.43 1jns h GLN 80 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.40 1jns h GLN 80 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.74 1jns h GLN 80 CO 0.59 0.00 0.00 1.19 0.09 0.00 0.00 178.83 180.70 1jns n PHE 81 N -2.49 0.47 0.00 0.06 3.72 -1.26 -5.02 117.46 112.94 1jns n PHE 81 Ca -0.01 -0.24 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 1jns n PHE 81 Cb 0.11 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 1jns n PHE 81 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jns n GLY 82 N 1.34 0.72 2.76 1.37 0.00 -0.50 -4.83 105.19 106.05 1jns n GLY 82 Ca 0.18 -0.97 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 1jns n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jns s TYR 83 N 0.00 0.01 -0.20 1.61 1.51 -1.07 -1.85 117.35 117.36 1jns s TYR 83 Ca 0.00 0.21 -0.08 0.00 -1.01 0.00 0.00 57.07 56.19 1jns s TYR 83 Cb 0.00 -0.29 -0.04 0.00 -0.11 0.00 0.00 41.96 41.52 1jns s TYR 83 CO 0.00 -0.13 0.08 -1.01 -1.11 0.00 0.00 175.55 173.38 1jns s HIS 84 N 1.42 3.24 -0.16 2.71 3.76 0.43 -1.88 115.29 124.82 1jns s HIS 84 Ca -0.05 0.03 -0.04 0.00 -0.15 0.00 0.00 55.06 54.86 1jns s HIS 84 Cb -0.13 -2.14 -0.03 0.00 1.11 0.00 0.00 32.58 31.40 1jns s HIS 84 CO -0.03 0.07 -0.04 -1.50 -0.85 0.00 0.00 174.74 172.38 1jns s ILE 85 N 0.68 3.88 -0.03 0.60 2.07 -0.90 0.20 121.20 127.69 1jns s ILE 85 Ca 0.04 -0.36 0.03 0.00 -1.41 0.00 0.00 60.65 58.95 1jns s ILE 85 Cb -0.13 -2.70 0.00 0.00 0.13 0.00 0.00 42.46 39.76 1jns s ILE 85 CO 0.02 0.49 -0.12 -0.63 -1.91 0.00 0.00 174.94 172.79 1jns s ILE 86 N 0.40 0.99 -0.09 2.00 1.01 -1.02 -1.68 121.20 122.81 1jns s ILE 86 Ca -0.04 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 60.05 1jns s ILE 86 Cb -0.14 -0.88 -0.05 0.00 0.01 0.00 0.00 42.46 41.41 1jns s ILE 86 CO 0.03 0.30 0.22 -0.54 0.00 0.00 0.00 174.94 174.95 1jns s LYS 87 N 0.20 3.64 -0.09 2.79 1.02 -0.17 -2.36 119.74 124.77 1jns s LYS 87 Ca -0.04 0.03 -0.01 0.00 0.02 0.00 0.00 55.97 55.97 1jns s LYS 87 Cb -0.10 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 33.96 1jns s LYS 87 CO 0.01 0.71 -0.05 0.08 -0.92 0.00 0.00 175.35 175.18 1jns s VAL 88 N -0.92 3.81 -0.07 3.17 1.01 -1.26 -2.21 120.40 123.93 1jns s VAL 88 Ca 0.17 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 1jns s VAL 88 Cb -0.13 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.68 1jns s VAL 88 CO 0.06 0.57 0.16 -0.76 0.00 0.00 0.00 175.10 175.14 1jns s LEU 89 N -0.53 1.08 0.00 3.92 1.43 0.01 -2.39 118.68 122.20 1jns s LEU 89 Ca 0.08 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 1jns s LEU 89 Cb -0.12 0.51 0.00 0.00 0.03 0.00 0.00 46.19 46.61 1jns s LEU 89 CO 0.02 -0.10 0.00 -1.22 0.23 0.00 0.00 176.35 175.28 1jns n TYR 90 N 3.51 0.00 -3.86 0.29 4.01 -1.26 -1.41 117.16 118.44 1jns n TYR 90 Ca -0.18 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.25 1jns n TYR 90 Cb 0.56 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.59 1jns n TYR 90 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1jns n ARG 91 N 0.00 -4.07 0.00 -0.72 0.63 -1.25 -4.94 116.66 106.31 1jns n ARG 91 Ca 0.00 0.49 0.00 0.00 -0.92 0.00 0.00 57.85 57.42 1jns n ARG 91 Cb 0.00 -5.27 0.00 0.00 0.45 0.00 0.00 32.46 27.64 1jns n ARG 91 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41