#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jns s LYS 2 N 0.00 1.45 0.93 0.00 1.02 -1.18 -4.32 119.74 117.63 1jns s LYS 2 Ca 0.00 -1.00 0.00 0.00 0.02 0.00 0.00 55.97 54.99 1jns s LYS 2 Cb 0.00 -1.60 0.00 0.00 -0.52 0.00 0.00 37.83 35.71 1jns s LYS 2 CO 0.00 0.41 0.00 0.25 -0.92 0.00 0.00 175.35 175.09 1jns n THR 3 N 1.75 0.00 -3.90 2.17 -2.24 -1.26 -4.52 114.28 106.28 1jns n THR 3 Ca -0.17 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.50 1jns n THR 3 Cb 0.53 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.63 1jns n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jns s ALA 4 N -1.37 0.02 -0.20 6.98 0.00 -0.51 -1.12 121.76 125.56 1jns s ALA 4 Ca 0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 51.96 51.68 1jns s ALA 4 Cb 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 1jns s ALA 4 CO 0.00 -0.05 0.27 0.00 0.00 0.00 0.00 175.76 175.98 1jns s ALA 5 N -0.41 3.60 -0.03 0.00 0.00 -0.58 -1.72 121.76 122.62 1jns s ALA 5 Ca -0.04 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1jns s ALA 5 Cb -0.03 -2.42 0.02 0.00 0.00 0.00 0.00 23.12 20.69 1jns s ALA 5 CO -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 175.76 175.63 1jns s ALA 6 N 0.91 0.42 -0.03 0.00 0.00 -0.93 -1.10 121.76 121.03 1jns s ALA 6 Ca 0.13 0.07 -0.02 0.00 0.00 0.00 0.00 51.96 52.15 1jns s ALA 6 Cb -0.13 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1jns s ALA 6 CO 0.05 -0.03 0.10 -0.51 0.00 0.00 0.00 175.76 175.36 1jns s LEU 7 N 0.87 3.99 0.01 0.00 1.43 -0.93 -3.75 118.68 120.30 1jns s LEU 7 Ca -0.10 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.23 1jns s LEU 7 Cb -0.13 -2.26 -0.01 0.00 0.03 0.00 0.00 46.19 43.82 1jns s LEU 7 CO -0.01 0.30 -0.06 -1.00 0.23 0.00 0.00 176.35 175.81 1jns s HIS 8 N -1.17 0.49 -0.05 0.29 3.76 -0.99 -1.47 115.29 116.14 1jns s HIS 8 Ca 0.22 -0.19 0.03 0.00 -0.15 0.00 0.00 55.06 54.96 1jns s HIS 8 Cb -0.12 -0.31 0.01 0.00 1.11 0.00 0.00 32.58 33.27 1jns s HIS 8 CO 0.12 -0.03 -0.12 0.42 -0.85 0.00 0.00 174.74 174.28 1jns s ILE 9 N -0.44 1.10 -0.25 0.60 1.01 -0.82 -3.76 121.20 118.63 1jns s ILE 9 Ca -0.01 -0.48 -0.09 0.00 0.00 0.00 0.00 60.65 60.07 1jns s ILE 9 Cb -0.04 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 1jns s ILE 9 CO -0.00 0.34 0.12 -0.22 0.00 0.00 0.00 174.94 175.17 1jns s LEU 10 N 0.49 3.74 -0.12 2.97 0.20 -1.26 -2.10 118.68 122.59 1jns s LEU 10 Ca -0.11 -0.07 -0.02 0.00 0.69 0.00 0.00 54.13 54.62 1jns s LEU 10 Cb -0.14 -2.01 -0.03 0.00 -0.43 0.00 0.00 46.19 43.59 1jns s LEU 10 CO 0.03 -0.00 -0.06 -0.69 -0.29 0.00 0.00 176.35 175.34 1jns s VAL 11 N 1.43 3.71 0.16 1.68 1.01 -0.51 -4.57 120.40 123.31 1jns s VAL 11 Ca 0.06 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.50 1jns s VAL 11 Cb -0.15 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1jns s VAL 11 CO 0.06 0.53 1.54 0.11 0.00 0.00 0.00 175.10 177.34 1jns h LYS 12 N 6.23 1.00 -6.65 2.72 1.57 -1.92 -1.56 116.57 117.97 1jns h LYS 12 Ca -0.36 -0.44 -0.69 0.00 -1.87 0.00 0.00 60.65 57.29 1jns h LYS 12 Cb 1.19 -0.03 -0.28 0.00 0.08 0.00 0.00 32.23 33.19 1jns h LYS 12 CO 0.58 1.12 -0.88 -1.21 -0.57 0.00 0.00 179.45 178.48 1jns s GLU 13 N -4.65 1.95 0.20 3.15 2.02 -1.26 -4.69 118.70 115.42 1jns s GLU 13 Ca -0.11 -1.01 -0.11 0.00 0.02 0.00 0.00 54.97 53.76 1jns s GLU 13 Cb 0.12 -2.00 0.14 0.00 0.10 0.00 0.00 34.13 32.49 1jns s GLU 13 CO 0.87 0.53 1.87 1.49 0.02 0.00 0.00 175.26 180.05 1jns h GLU 14 N 5.17 0.93 -1.00 1.61 4.81 -1.99 -0.51 114.58 123.60 1jns h GLU 14 Ca -0.44 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 58.79 1jns h GLU 14 Cb 1.13 -0.21 -0.07 0.00 0.63 0.00 0.00 28.75 30.23 1jns h GLU 14 CO 0.45 0.62 0.65 0.87 -0.73 0.00 0.00 179.01 180.87 1jns h LYS 15 N 0.96 1.15 -0.49 1.92 1.57 -1.99 0.25 116.57 119.95 1jns h LYS 15 Ca 0.26 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.84 1jns h LYS 15 Cb -0.11 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 31.92 1jns h LYS 15 CO -0.06 0.76 -0.19 1.25 -0.57 0.00 0.00 179.45 180.65 1jns h LEU 16 N 1.19 1.01 -0.60 2.94 6.46 -1.76 -0.18 115.31 124.37 1jns h LEU 16 Ca 0.43 -0.39 0.01 0.00 -0.12 0.00 0.00 57.88 57.81 1jns h LEU 16 Cb 0.14 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 39.77 1jns h LEU 16 CO -0.17 1.17 0.40 0.00 -0.62 0.00 0.00 178.44 179.22 1jns h ALA 17 N 0.88 0.76 -0.68 1.25 0.00 0.16 0.59 119.26 122.22 1jns h ALA 17 Ca 0.12 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1jns h ALA 17 Cb 0.76 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1jns h ALA 17 CO 0.06 0.19 0.45 -0.07 0.00 0.00 0.00 179.25 179.88 1jns h LEU 18 N 0.81 0.78 -0.86 0.00 4.07 -0.28 0.78 115.31 120.60 1jns h LEU 18 Ca 0.22 -0.02 0.01 0.00 0.08 0.00 0.00 57.88 58.17 1jns h LEU 18 Cb -0.09 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 41.41 1jns h LEU 18 CO -0.05 0.57 0.57 -0.78 -1.08 0.00 0.00 178.44 177.67 1jns h ASP 19 N 0.93 0.99 -0.37 -0.43 1.82 -0.06 -0.32 116.42 118.98 1jns h ASP 19 Ca 0.25 -0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.84 1jns h ASP 19 Cb -0.11 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 39.64 1jns h ASP 19 CO -0.05 0.72 0.15 0.25 -1.61 0.00 0.00 179.24 178.70 1jns h LEU 20 N 1.17 0.50 -0.51 2.28 5.85 0.18 -2.60 115.31 122.18 1jns h LEU 20 Ca 0.32 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1jns h LEU 20 Cb -0.14 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 1jns h LEU 20 CO -0.07 0.53 0.34 -0.07 -0.34 0.00 0.00 178.44 178.82 1jns h LEU 21 N 0.45 0.58 -0.97 2.25 4.07 0.13 -2.66 115.31 119.16 1jns h LEU 21 Ca 0.12 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.07 1jns h LEU 21 Cb 0.17 -0.14 -0.05 0.00 1.08 0.00 0.00 40.66 41.72 1jns h LEU 21 CO -0.01 0.42 0.60 -0.08 -1.08 0.00 0.00 178.44 178.29 1jns h GLU 22 N 0.69 1.30 -0.87 1.13 4.57 -0.92 -2.62 114.58 117.86 1jns h GLU 22 Ca 0.19 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1jns h GLU 22 Cb -0.08 -0.28 -0.04 0.00 -0.16 0.00 0.00 28.75 28.19 1jns h GLU 22 CO -0.04 0.89 0.56 1.96 -1.18 0.00 0.00 179.01 181.20 1jns h GLN 23 N 1.32 1.16 -0.38 1.92 1.08 -1.11 -2.80 115.11 116.30 1jns h GLN 23 Ca 0.35 -0.09 -0.08 0.00 -1.45 0.00 0.00 58.65 57.38 1jns h GLN 23 Cb -0.09 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.07 1jns h GLN 23 CO -0.07 0.79 -0.07 0.82 -0.95 0.00 0.00 178.83 179.35 1jns h ILE 24 N 1.19 1.27 -0.20 2.54 2.04 -1.33 -2.55 117.51 120.47 1jns h ILE 24 Ca 0.32 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 65.04 1jns h ILE 24 Cb -0.10 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1jns h ILE 24 CO -0.06 0.38 0.13 0.11 0.00 0.00 0.00 178.15 178.71 1jns h LYS 25 N 0.53 0.27 0.74 2.37 1.57 -1.23 2.16 116.57 122.98 1jns h LYS 25 Ca 0.10 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1jns h LYS 25 Cb 0.58 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.83 1jns h LYS 25 CO 0.03 0.19 -0.37 -0.97 -0.57 0.00 0.00 179.45 177.77 1jns h ASN 26 N 0.27 -0.87 0.00 0.86 -0.00 -1.55 -3.39 115.58 110.89 1jns h ASN 26 Ca 0.07 0.03 -0.28 0.00 -0.00 0.00 0.00 56.30 56.13 1jns h ASN 26 Cb -0.02 0.23 -0.05 0.00 -0.00 0.00 0.00 38.32 38.48 1jns h ASN 26 CO -0.02 -0.61 -2.05 0.61 -0.00 0.00 0.00 177.43 175.36 1jns n GLY 27 N -1.50 -0.29 2.08 1.57 0.00 -0.98 -5.13 105.19 100.95 1jns n GLY 27 Ca -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.00 0.00 0.00 4.61 0.00 0.73 -4.98 120.51 117.86 1jns n ALA 28 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1jns n ALA 28 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.31 1jns n ALA 28 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jns n ASP 29 N -0.33 0.00 -0.28 0.00 8.00 -1.26 -4.72 116.55 117.96 1jns n ASP 29 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.44 1jns n ASP 29 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.17 1jns n ASP 29 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1jns h PHE 30 N 0.00 1.20 0.57 1.24 0.04 -1.97 -1.88 116.94 116.14 1jns h PHE 30 Ca 0.00 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.64 1jns h PHE 30 Cb 0.00 -0.36 0.01 0.00 2.20 0.00 0.00 35.95 37.80 1jns h PHE 30 CO 0.00 0.91 -0.27 0.78 -0.60 0.00 0.00 178.31 179.13 1jns h GLY 31 N 1.15 -0.80 1.07 -1.45 0.00 -1.96 -0.38 103.07 100.69 1jns h GLY 31 Ca 0.26 0.29 -0.10 0.00 0.00 0.00 0.00 47.33 47.78 1jns h GLY 31 CO -0.02 -0.29 -0.03 0.50 0.00 0.00 0.00 176.54 176.70 1jns h LYS 32 N -0.79 1.01 -0.59 4.80 1.57 -1.95 -2.48 116.57 118.14 1jns h LYS 32 Ca -0.08 -0.34 -0.10 0.00 -1.87 0.00 0.00 60.65 58.26 1jns h LYS 32 Cb 0.60 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1jns h LYS 32 CO 0.13 1.02 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.92 1jns h LEU 33 N 0.89 1.05 -0.38 2.94 3.38 -1.32 -2.33 115.31 119.54 1jns h LEU 33 Ca 0.15 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1jns h LEU 33 Cb 0.59 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1jns h LEU 33 CO 0.04 1.13 0.25 0.00 0.09 0.00 0.00 178.44 179.95 1jns h ALA 34 N 0.97 0.49 -0.11 1.53 0.00 -0.96 -1.98 119.26 119.19 1jns h ALA 34 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1jns h ALA 34 Cb 0.61 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1jns h ALA 34 CO 0.04 -0.06 0.07 0.87 0.00 0.00 0.00 179.25 180.18 1jns h LYS 35 N 0.52 0.15 -0.26 0.00 1.79 -1.24 -1.14 116.57 116.38 1jns h LYS 35 Ca 0.14 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.58 1jns h LYS 35 Cb -0.06 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 1jns h LYS 35 CO -0.03 0.10 0.08 -0.22 -1.08 0.00 0.00 179.45 178.30 1jns h LYS 36 N 0.15 0.40 -0.06 3.15 3.64 -1.23 -3.14 116.57 119.48 1jns h LYS 36 Ca 0.04 -0.09 -0.12 0.00 -1.27 0.00 0.00 60.65 59.21 1jns h LYS 36 Cb -0.01 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1jns h LYS 36 CO -0.01 0.48 -0.42 0.45 -2.27 0.00 0.00 179.45 177.67 1jns h HIS 37 N 0.25 0.55 -0.19 1.91 3.86 -1.33 -3.35 115.15 116.85 1jns h HIS 37 Ca 0.08 -0.25 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1jns h HIS 37 Cb 0.25 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1jns h HIS 37 CO 0.01 1.02 0.12 1.03 0.86 0.00 0.00 177.93 180.97 1jns h SER 38 N -0.08 0.21 -5.16 2.45 0.87 -1.27 -3.45 113.55 107.13 1jns h SER 38 Ca -0.04 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.39 1jns h SER 38 Cb 1.09 -0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 62.92 1jns h SER 38 CO 0.09 0.15 -0.19 0.00 -0.53 0.00 0.00 176.83 176.35 1jns n ILE 39 N -4.96 0.00 -4.36 2.23 3.06 -1.19 -4.79 119.36 109.36 1jns n ILE 39 Ca -0.03 0.00 -0.18 0.00 -2.50 0.00 0.00 62.75 60.03 1jns n ILE 39 Cb 0.03 -0.10 -0.10 0.00 0.54 0.00 0.00 39.64 40.00 1jns n ILE 39 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1jns h PRO 41 N 2.44 0.00 -0.60 0.00 0.13 -2.04 2.14 132.00 134.07 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 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1jns h PRO 41 CO 0.65 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.29 1jns n SER 42 N -4.13 5.33 -0.04 1.44 3.41 -1.26 -4.22 113.62 114.15 1jns n SER 42 Ca 0.18 -2.75 -0.03 0.00 -0.26 0.00 0.00 58.87 56.00 1jns n SER 42 Cb 0.96 -0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 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 3.98 -0.03 1.06 5.00 0.00 0.32 1.81 103.07 115.21 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 0.38 -0.01 0.64 1.70 0.00 0.00 0.00 176.54 179.25 1jns h LYS 44 N -1.00 1.27 0.04 4.80 3.64 -1.76 0.15 116.57 123.71 1jns h LYS 44 Ca -0.00 -0.08 -0.38 0.00 -1.27 0.00 0.00 60.65 58.92 1jns h LYS 44 Cb 0.23 -0.29 -0.05 0.00 -0.41 0.00 0.00 32.23 31.72 1jns h LYS 44 CO 0.00 0.84 -2.21 -2.13 -2.27 0.00 0.00 179.45 173.68 1jns n ARG 45 N -4.39 0.67 0.21 1.90 3.00 -1.25 -4.14 116.66 112.66 1jns n ARG 45 Ca 0.11 0.25 0.08 0.00 -0.00 0.00 0.00 57.85 58.29 1jns n ARG 45 Cb 0.01 -1.60 0.45 0.00 0.00 0.00 0.00 32.46 31.32 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 0.99 0.00 1.10 5.14 0.00 0.27 0.70 103.07 111.28 1jns h GLY 46 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1jns h GLY 46 CO -0.09 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.06 1jns n GLY 47 N -0.03 -0.75 2.69 4.60 0.00 0.53 -2.36 105.19 109.87 1jns n GLY 47 Ca -0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.05 -1.78 0.21 1.61 5.75 -0.20 -4.48 116.55 116.61 1jns n ASP 48 Ca 0.15 -2.37 0.07 0.00 -0.01 0.00 0.00 54.79 52.63 1jns n ASP 48 Cb 0.09 1.20 0.43 0.00 -1.03 0.00 0.00 41.12 41.81 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 3.13 0.00 0.00 -2.12 3.38 -1.03 -3.44 115.31 115.23 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 0.01 0.31 0.00 0.61 0.09 0.00 0.00 178.44 179.46 1jns n GLY 50 N -0.06 0.44 3.57 0.83 0.00 -1.26 -4.91 105.19 103.79 1jns n GLY 50 Ca -0.01 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.01 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 2.98 0.14 1.61 2.12 -1.26 -2.18 118.70 122.11 1jns s GLU 51 Ca 0.00 -0.53 -0.10 0.00 0.36 0.00 0.00 54.97 54.70 1jns s GLU 51 Cb 0.00 -2.68 -0.00 0.00 0.26 0.00 0.00 34.13 31.71 1jns s GLU 51 CO 0.00 0.57 0.27 -0.59 -0.54 0.00 0.00 175.26 174.96 1jns s PHE 52 N -0.54 0.25 0.66 5.30 -0.12 -0.70 -4.95 117.98 117.89 1jns s PHE 52 Ca 0.08 -0.63 -0.12 0.00 -0.05 0.00 0.00 56.93 56.21 1jns s PHE 52 Cb -0.12 -0.02 -0.01 0.00 -0.63 0.00 0.00 43.02 42.24 1jns s PHE 52 CO 0.02 -0.66 1.05 1.03 -0.05 0.00 0.00 175.22 176.61 1jns s ARG 53 N -3.91 3.13 0.08 1.99 0.52 -1.26 -1.42 118.95 118.08 1jns s ARG 53 Ca 0.12 0.99 -0.31 0.00 -0.52 0.00 0.00 55.73 56.01 1jns s ARG 53 Cb 0.04 -2.02 -0.09 0.00 0.52 0.00 0.00 34.95 33.40 1jns s ARG 53 CO -0.05 -0.94 1.78 -1.14 0.02 0.00 0.00 175.30 174.97 1jns s GLN 54 N -4.80 4.16 0.00 3.54 0.74 -1.26 -3.94 119.66 118.09 1jns s GLN 54 Ca 0.59 2.48 0.00 0.00 0.05 0.00 0.00 55.36 58.48 1jns s GLN 54 Cb -0.14 -3.71 0.00 0.00 1.10 0.00 0.00 33.01 30.26 1jns s GLN 54 CO 0.50 -0.82 0.00 0.41 -0.55 0.00 0.00 175.29 174.82 1jns n GLY 55 N 4.20 0.76 1.46 2.59 0.00 -1.26 -5.09 105.19 107.85 1jns n GLY 55 Ca 0.17 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 0.01 1.61 1.13 -1.25 -5.06 117.38 113.82 1jns n GLN 56 Ca 0.00 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.05 1jns n GLN 56 Cb 0.00 -0.17 -0.00 0.00 0.11 0.00 0.00 30.24 30.17 1jns n GLN 56 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 1jns n MET 57 N -3.13 0.09 -5.02 -1.09 1.56 -1.26 -5.06 117.12 103.21 1jns n MET 57 Ca 0.00 0.03 -0.29 0.00 -0.27 0.00 0.00 57.70 57.18 1jns n MET 57 Cb 0.00 -0.54 -0.16 0.00 2.15 0.00 0.00 33.22 34.66 1jns n MET 57 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 1jns s VAL 58 N -1.86 1.72 0.08 1.12 0.11 -1.26 -5.03 120.40 115.28 1jns s VAL 58 Ca -0.05 -0.86 -0.27 0.00 -2.93 0.00 0.00 61.98 57.87 1jns s VAL 58 Cb 0.01 -1.48 -0.17 0.00 -1.53 0.00 0.00 36.38 33.21 1jns s VAL 58 CO 0.07 0.49 1.67 1.55 -3.33 0.00 0.00 175.10 175.54 1jns h PRO 59 N 6.43 -0.38 -1.77 1.54 0.13 -2.02 -2.33 132.00 133.60 1jns h PRO 59 Ca -0.29 0.03 0.51 0.00 -0.87 0.00 0.00 66.00 65.38 1jns h PRO 59 Cb 1.19 0.09 -0.07 0.00 0.13 0.00 0.00 31.00 32.34 1jns h PRO 59 CO 0.47 -0.24 1.38 0.00 -0.23 0.00 0.00 178.00 179.38 1jns n ALA 60 N -2.27 1.70 -0.19 -0.56 0.00 -1.26 0.95 120.51 118.89 1jns n ALA 60 Ca -0.10 0.59 -0.07 0.00 0.00 0.00 0.00 53.44 53.86 1jns n ALA 60 Cb 0.18 -1.02 0.03 0.00 0.00 0.00 0.00 19.45 18.64 1jns n ALA 60 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1jns h PHE 61 N 0.00 0.69 -1.00 0.00 3.57 -1.85 -1.49 116.94 116.86 1jns h PHE 61 Ca 0.84 0.02 0.01 0.00 3.53 0.00 0.00 57.97 62.37 1jns h PHE 61 Cb 3.59 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 42.05 1jns h PHE 61 CO 0.00 0.44 0.67 0.22 -2.23 0.00 0.00 178.31 177.40 1jns h ASP 62 N 0.74 1.15 -0.83 0.41 1.82 0.43 -0.92 116.42 119.23 1jns h ASP 62 Ca 0.20 -0.03 0.03 0.00 -0.39 0.00 0.00 57.03 56.85 1jns h ASP 62 Cb -0.08 -0.29 -0.05 0.00 0.68 0.00 0.00 39.33 39.59 1jns h ASP 62 CO -0.04 0.83 0.53 0.50 -1.61 0.00 0.00 179.24 179.45 1jns h LYS 63 N 1.36 1.00 0.04 0.28 3.64 -1.25 0.84 116.57 122.48 1jns h LYS 63 Ca 0.37 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.58 1jns h LYS 63 Cb -0.15 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 31.45 1jns h LYS 63 CO -0.08 0.66 -0.44 -0.39 -2.27 0.00 0.00 179.45 176.93 1jns h VAL 64 N 1.03 1.55 -0.20 2.00 -1.51 -0.72 0.43 116.25 118.83 1jns h VAL 64 Ca 0.33 -2.21 0.06 0.00 -1.23 0.00 0.00 66.70 63.65 1jns h VAL 64 Cb 0.02 2.96 -0.01 0.00 -2.13 0.00 0.00 31.29 32.14 1jns h VAL 64 CO -0.12 0.61 0.24 1.62 -1.23 0.00 0.00 177.57 178.69 1jns h VAL 65 N -0.47 0.41 -0.01 7.19 3.04 -1.13 1.26 116.25 126.54 1jns h VAL 65 Ca -0.07 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 1jns h VAL 65 Cb 1.25 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 31.34 1jns h VAL 65 CO 0.09 0.00 -0.39 0.33 -1.01 0.00 0.00 177.57 176.58 1jns n PHE 66 N -3.71 0.00 -0.10 3.17 7.35 0.28 -4.25 117.46 120.20 1jns n PHE 66 Ca 0.02 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.48 1jns n PHE 66 Cb 0.36 -0.06 -0.12 0.00 0.35 0.00 0.00 39.48 40.01 1jns n PHE 66 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1jns n SER 67 N -0.40 1.99 -4.17 -2.13 2.88 0.40 -5.00 113.62 107.18 1jns n SER 67 Ca 0.10 0.16 -0.17 0.00 -1.33 0.00 0.00 58.87 57.64 1jns n SER 67 Cb 0.40 -0.71 -0.11 0.00 -0.75 0.00 0.00 64.21 63.04 1jns n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jns s PRO 69 N -2.20 2.61 1.18 0.00 0.04 -1.26 -4.52 135.00 130.85 1jns s PRO 69 Ca 0.01 1.39 -0.13 0.00 0.04 0.00 0.00 61.00 62.31 1jns s PRO 69 Cb -0.07 -1.93 0.29 0.00 0.04 0.00 0.00 34.50 32.83 1jns s PRO 69 CO 0.02 -1.40 1.02 0.54 0.04 0.00 0.00 177.00 177.22 1jns s VAL 70 N -2.42 2.01 -1.31 -0.36 0.11 -1.26 -2.85 120.40 114.32 1jns s VAL 70 Ca 0.67 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.72 1jns s VAL 70 Cb -0.21 -2.07 0.00 0.00 -1.53 0.00 0.00 36.38 32.58 1jns s VAL 70 CO 0.45 -0.00 0.00 0.18 -3.33 0.00 0.00 175.10 172.39 1jns n LEU 71 N -4.95 -0.51 -3.50 2.54 4.32 0.29 -4.87 117.00 110.32 1jns n LEU 71 Ca 0.03 0.30 -0.28 0.00 -0.02 0.00 0.00 56.01 56.04 1jns n LEU 71 Cb 0.54 -2.67 -0.11 0.00 -1.62 0.00 0.00 43.42 39.56 1jns n LEU 71 CO 0.58 -1.03 -0.29 -0.70 -1.22 0.00 0.00 177.39 174.73 1jns s GLU 72 N -3.02 0.93 0.39 3.23 2.12 -1.13 -5.01 118.70 116.20 1jns s GLU 72 Ca 0.00 -1.88 -0.23 0.00 0.36 0.00 0.00 54.97 53.22 1jns s GLU 72 Cb 0.00 -1.63 -0.14 0.00 0.26 0.00 0.00 34.13 32.62 1jns s GLU 72 CO 0.00 -1.28 0.41 -2.30 -0.54 0.00 0.00 175.26 171.55 1jns n PRO 73 N 3.33 0.35 -4.39 4.30 -0.02 -1.26 -4.73 135.00 132.58 1jns n PRO 73 Ca 0.20 0.13 -0.19 0.00 -2.02 0.00 0.00 63.50 61.61 1jns n PRO 73 Cb 0.41 -1.30 -0.15 0.00 -0.02 0.00 0.00 33.50 32.44 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 -1.48 0.75 -5.00 3.45 2.01 -0.74 -5.00 115.64 109.63 1jns s THR 74 Ca 0.62 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 62.22 1jns s THR 74 Cb -0.65 -0.63 0.00 0.00 0.01 0.00 0.00 72.50 71.23 1jns s THR 74 CO 0.59 0.21 0.00 0.61 -0.69 0.00 0.00 174.62 175.35 1jns n GLY 75 N 2.89 0.73 3.72 4.40 0.00 -1.26 -1.39 105.19 114.28 1jns n GLY 75 Ca -0.14 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.46 4.63 0.25 1.61 0.04 -1.26 -5.02 135.00 133.79 1jns s PRO 76 Ca 0.00 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1jns s PRO 76 Cb 0.00 -3.40 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 1jns s PRO 76 CO 0.00 0.09 0.43 -1.17 0.04 0.00 0.00 177.00 176.40 1jns s LEU 77 N 0.37 4.18 -0.07 -3.56 2.96 0.81 -4.82 118.68 118.55 1jns s LEU 77 Ca 0.49 0.37 -0.30 0.00 -0.22 0.00 0.00 54.13 54.48 1jns s LEU 77 Cb -0.23 -3.17 -0.02 0.00 0.50 0.00 0.00 46.19 43.26 1jns s LEU 77 CO 0.29 -0.12 1.09 -2.28 -1.32 0.00 0.00 176.35 174.01 1jns s HIS 78 N -2.01 3.40 0.05 5.38 5.65 -1.26 -1.08 115.29 125.42 1jns s HIS 78 Ca 0.38 1.45 -0.01 0.00 0.25 0.00 0.00 55.06 57.13 1jns s HIS 78 Cb -0.10 -3.28 -0.04 0.00 -1.18 0.00 0.00 32.58 27.98 1jns s HIS 78 CO 0.31 -0.66 -0.03 -0.08 -0.65 0.00 0.00 174.74 173.62 1jns s THR 79 N 1.94 0.21 0.55 0.89 -1.32 -0.41 -4.89 115.64 112.61 1jns s THR 79 Ca 0.52 -1.72 0.28 0.00 -1.21 0.00 0.00 61.69 59.56 1jns s THR 79 Cb -0.21 -1.39 0.33 0.00 -1.51 0.00 0.00 72.50 69.71 1jns s THR 79 CO 0.21 -0.95 2.21 0.06 -2.21 0.00 0.00 174.62 173.94 1jns h GLN 80 N 3.30 0.00 -0.00 7.08 3.07 -2.01 -0.99 115.11 125.56 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 1.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.71 1jns h GLN 80 CO 0.63 0.03 -0.05 1.19 0.09 0.00 0.00 178.83 180.72 1jns n PHE 81 N -3.89 0.00 0.00 0.06 3.72 -1.26 -5.01 117.46 111.08 1jns n PHE 81 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1jns n PHE 81 Cb 0.11 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.18 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 1.50 0.59 3.37 1.37 0.00 -0.38 -4.94 105.19 106.71 1jns n GLY 82 Ca 0.07 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 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 2.67 -0.16 1.61 2.02 -0.59 -1.29 117.35 121.61 1jns s TYR 83 Ca 0.00 -0.52 -0.01 0.00 -0.37 0.00 0.00 57.07 56.16 1jns s TYR 83 Cb 0.00 -1.71 -0.01 0.00 -0.40 0.00 0.00 41.96 39.85 1jns s TYR 83 CO 0.00 -0.09 -0.11 -1.01 -1.57 0.00 0.00 175.55 172.76 1jns s HIS 84 N -0.13 2.85 -0.19 2.71 3.76 -0.24 -1.43 115.29 122.61 1jns s HIS 84 Ca -0.02 -0.88 -0.02 0.00 -0.15 0.00 0.00 55.06 53.99 1jns s HIS 84 Cb -0.14 -1.93 -0.00 0.00 1.11 0.00 0.00 32.58 31.62 1jns s HIS 84 CO 0.04 -0.40 -0.10 -1.50 -0.85 0.00 0.00 174.74 171.93 1jns s ILE 85 N 0.83 3.02 -0.11 0.60 2.07 -0.89 -0.13 121.20 126.58 1jns s ILE 85 Ca -0.04 -0.62 0.02 0.00 -1.41 0.00 0.00 60.65 58.60 1jns s ILE 85 Cb -0.15 -2.34 -0.01 0.00 0.13 0.00 0.00 42.46 40.10 1jns s ILE 85 CO 0.00 0.47 -0.19 -0.63 -1.91 0.00 0.00 174.94 172.68 1jns s ILE 86 N 1.19 2.49 -0.20 2.00 1.01 -0.49 -1.95 121.20 125.25 1jns s ILE 86 Ca 0.02 -0.86 -0.15 0.00 0.00 0.00 0.00 60.65 59.65 1jns s ILE 86 Cb -0.14 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 1jns s ILE 86 CO -0.03 0.54 0.37 -0.75 0.00 0.00 0.00 174.94 175.08 1jns s LYS 87 N 0.35 4.17 -0.16 2.79 2.20 -0.54 -1.80 119.74 126.75 1jns s LYS 87 Ca -0.15 0.16 -0.06 0.00 -0.36 0.00 0.00 55.97 55.56 1jns s LYS 87 Cb -0.17 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.58 1jns s LYS 87 CO 0.08 -0.01 0.04 0.08 -0.36 0.00 0.00 175.35 175.18 1jns s VAL 88 N 1.22 4.63 0.08 4.02 1.01 -1.26 -2.18 120.40 127.92 1jns s VAL 88 Ca 0.18 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.10 1jns s VAL 88 Cb -0.15 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 1jns s VAL 88 CO 0.07 0.50 -0.10 -0.76 0.00 0.00 0.00 175.10 174.81 1jns s LEU 89 N 0.10 2.37 0.00 3.92 1.43 -0.26 0.10 118.68 126.35 1jns s LEU 89 Ca 0.04 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 1jns s LEU 89 Cb -0.12 -0.27 0.00 0.00 0.03 0.00 0.00 46.19 45.83 1jns s LEU 89 CO 0.01 -0.25 0.00 -1.22 0.23 0.00 0.00 176.35 175.12 1jns n TYR 90 N 0.77 0.00 -1.44 0.29 4.01 -1.26 -1.53 117.16 118.00 1jns n TYR 90 Ca -0.18 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 57.76 1jns n TYR 90 Cb 0.57 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.55 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 -2.92 0.00 -0.72 0.63 -1.25 -4.75 116.66 107.65 1jns n ARG 91 Ca 0.00 1.96 0.08 0.00 -0.92 0.00 0.00 57.85 58.97 1jns n ARG 91 Cb 0.00 -3.56 0.06 0.00 0.45 0.00 0.00 32.46 29.42 1jns n ARG 91 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41