#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 0.68 -5.31 0.00 1.79 -1.89 -3.45 116.57 108.39 1jns h LYS 2 Ca 0.00 -0.28 -0.41 0.00 -2.18 0.00 0.00 60.65 57.78 1jns h LYS 2 Cb 0.00 -0.03 -0.14 0.00 -1.58 0.00 0.00 32.23 30.48 1jns h LYS 2 CO 0.00 0.87 -0.70 0.95 -1.08 0.00 0.00 179.45 179.49 1jns s THR 3 N -4.52 1.41 0.16 -0.16 -4.23 -1.24 -3.94 115.64 103.12 1jns s THR 3 Ca -0.08 -2.11 -0.08 0.00 -1.18 0.00 0.00 61.69 58.23 1jns s THR 3 Cb 0.13 -2.15 -0.01 0.00 1.34 0.00 0.00 72.50 71.81 1jns s THR 3 CO 0.82 -0.51 0.26 0.00 -0.54 0.00 0.00 174.62 174.66 1jns s ALA 4 N -3.18 0.08 -0.16 3.99 0.00 0.31 -2.08 121.76 120.72 1jns s ALA 4 Ca 0.24 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 51.17 1jns s ALA 4 Cb 0.03 0.85 -0.05 0.00 0.00 0.00 0.00 23.12 23.95 1jns s ALA 4 CO 0.07 -0.63 0.17 0.00 0.00 0.00 0.00 175.76 175.37 1jns s ALA 5 N -3.97 3.75 -0.04 0.00 0.00 -1.09 -2.00 121.76 118.40 1jns s ALA 5 Ca 0.18 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1jns s ALA 5 Cb 0.04 -2.14 0.02 0.00 0.00 0.00 0.00 23.12 21.05 1jns s ALA 5 CO -0.00 0.33 -0.02 0.00 0.00 0.00 0.00 175.76 176.07 1jns s ALA 6 N -0.20 0.54 -0.06 0.00 0.00 -0.95 -0.95 121.76 120.14 1jns s ALA 6 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1jns s ALA 6 Cb -0.12 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 1jns s ALA 6 CO 0.02 -0.11 -0.03 -0.51 0.00 0.00 0.00 175.76 175.12 1jns s LEU 7 N 1.14 3.37 -0.05 0.00 1.43 -0.64 -3.82 118.68 120.11 1jns s LEU 7 Ca -0.08 0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1jns s LEU 7 Cb -0.14 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.31 1jns s LEU 7 CO -0.01 0.35 -0.02 -1.00 0.23 0.00 0.00 176.35 175.90 1jns s HIS 8 N -0.90 0.65 -0.15 0.29 3.76 -1.04 -1.52 115.29 116.38 1jns s HIS 8 Ca 0.14 -0.16 -0.03 0.00 -0.15 0.00 0.00 55.06 54.86 1jns s HIS 8 Cb -0.11 -0.68 -0.02 0.00 1.11 0.00 0.00 32.58 32.88 1jns s HIS 8 CO 0.04 -0.24 -0.06 0.42 -0.85 0.00 0.00 174.74 174.05 1jns s ILE 9 N 1.35 3.71 -0.25 0.60 1.01 -0.91 -3.76 121.20 122.95 1jns s ILE 9 Ca -0.04 -0.42 -0.08 0.00 0.00 0.00 0.00 60.65 60.10 1jns s ILE 9 Cb -0.13 -2.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 1jns s ILE 9 CO -0.02 0.50 0.09 -0.22 0.00 0.00 0.00 174.94 175.29 1jns s LEU 10 N 0.34 3.54 -0.16 2.97 0.20 -1.26 -2.09 118.68 122.22 1jns s LEU 10 Ca -0.06 -0.17 -0.04 0.00 0.69 0.00 0.00 54.13 54.55 1jns s LEU 10 Cb -0.15 -1.96 -0.03 0.00 -0.43 0.00 0.00 46.19 43.63 1jns s LEU 10 CO 0.04 -0.04 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.35 1jns s VAL 11 N 1.64 4.02 0.17 1.68 1.01 -0.27 -4.83 120.40 123.82 1jns s VAL 11 Ca 0.06 -0.31 -0.09 0.00 0.00 0.00 0.00 61.98 61.64 1jns s VAL 11 Cb -0.15 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1jns s VAL 11 CO 0.05 0.49 1.55 0.11 0.00 0.00 0.00 175.10 177.30 1jns h LYS 12 N 6.74 0.95 -6.55 2.72 1.57 -1.92 -0.81 116.57 119.26 1jns h LYS 12 Ca -0.32 -0.42 -0.68 0.00 -1.87 0.00 0.00 60.65 57.36 1jns h LYS 12 Cb 1.19 -0.03 -0.29 0.00 0.08 0.00 0.00 32.23 33.18 1jns h LYS 12 CO 0.64 1.08 -0.88 -1.83 -0.57 0.00 0.00 179.45 177.89 1jns s GLU 13 N -4.61 1.94 0.25 3.15 -1.05 -1.26 -4.66 118.70 112.46 1jns s GLU 13 Ca -0.11 -0.96 -0.06 0.00 -0.15 0.00 0.00 54.97 53.69 1jns s GLU 13 Cb 0.12 -1.95 0.26 0.00 -0.44 0.00 0.00 34.13 32.12 1jns s GLU 13 CO 0.87 0.53 1.93 1.49 0.95 0.00 0.00 175.26 181.02 1jns h GLU 14 N 5.29 1.32 -0.86 -4.83 4.81 -2.00 -2.85 114.58 115.46 1jns h GLU 14 Ca -0.43 -0.08 0.08 0.00 -0.13 0.00 0.00 59.36 58.80 1jns h GLU 14 Cb 1.13 -0.30 -0.07 0.00 0.63 0.00 0.00 28.75 30.14 1jns h GLU 14 CO 0.46 0.87 0.52 0.87 -0.73 0.00 0.00 179.01 181.00 1jns h LYS 15 N 1.36 0.87 -0.48 1.92 1.57 -1.99 0.22 116.57 120.03 1jns h LYS 15 Ca 0.37 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.96 1jns h LYS 15 Cb -0.16 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 31.94 1jns h LYS 15 CO -0.08 0.57 -0.22 1.25 -0.57 0.00 0.00 179.45 180.40 1jns h LEU 16 N 0.89 1.03 -0.78 2.94 5.85 -1.95 -1.31 115.31 121.99 1jns h LEU 16 Ca 0.40 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1jns h LEU 16 Cb 0.30 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1jns h LEU 16 CO -0.22 1.20 0.51 0.00 -0.34 0.00 0.00 178.44 179.60 1jns h ALA 17 N 0.86 1.00 -0.73 1.25 0.00 -0.93 0.64 119.26 121.35 1jns h ALA 17 Ca 0.11 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1jns h ALA 17 Cb 0.81 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1jns h ALA 17 CO 0.07 0.38 0.48 1.25 0.00 0.00 0.00 179.25 181.44 1jns h LEU 18 N 1.04 0.84 -1.01 0.00 5.85 -0.41 0.61 115.31 122.24 1jns h LEU 18 Ca 0.29 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 59.00 1jns h LEU 18 Cb -0.09 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.67 1jns h LEU 18 CO -0.07 0.61 0.67 -0.78 -0.34 0.00 0.00 178.44 178.53 1jns h ASP 19 N 1.00 1.16 -0.58 1.25 1.82 0.08 0.56 116.42 121.71 1jns h ASP 19 Ca 0.27 -0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.86 1jns h ASP 19 Cb -0.11 -0.29 -0.03 0.00 0.68 0.00 0.00 39.33 39.58 1jns h ASP 19 CO -0.06 0.84 0.28 0.25 -1.61 0.00 0.00 179.24 178.94 1jns h LEU 20 N 1.37 0.76 -0.04 2.28 5.85 0.21 0.81 115.31 126.55 1jns h LEU 20 Ca 0.37 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1jns h LEU 20 Cb -0.16 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.68 1jns h LEU 20 CO -0.08 0.67 0.03 -0.07 -0.34 0.00 0.00 178.44 178.65 1jns h LEU 21 N 0.79 0.04 -0.94 2.25 4.07 0.15 0.16 115.31 121.83 1jns h LEU 21 Ca 0.20 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.15 1jns h LEU 21 Cb 0.12 -0.01 -0.04 0.00 1.08 0.00 0.00 40.66 41.80 1jns h LEU 21 CO -0.03 0.03 0.55 -0.08 -1.08 0.00 0.00 178.44 177.83 1jns h GLU 22 N 0.05 1.29 -0.78 1.13 4.57 -0.71 -2.19 114.58 117.94 1jns h GLU 22 Ca 0.01 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1jns h GLU 22 Cb -0.01 -0.26 -0.04 0.00 -0.16 0.00 0.00 28.75 28.28 1jns h GLU 22 CO -0.00 0.91 0.46 0.37 -1.18 0.00 0.00 179.01 179.56 1jns h GLN 23 N 1.30 1.07 -0.53 1.92 4.15 0.18 -0.87 115.11 122.33 1jns h GLN 23 Ca 0.33 -0.11 -0.12 0.00 0.77 0.00 0.00 58.65 59.53 1jns h GLN 23 Cb -0.03 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.43 1jns h GLN 23 CO -0.06 0.77 -0.14 0.82 -1.93 0.00 0.00 178.83 178.29 1jns h ILE 24 N 1.07 1.27 0.34 2.39 2.04 -0.48 0.46 117.51 124.60 1jns h ILE 24 Ca 0.28 -1.30 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 1jns h ILE 24 Cb -0.01 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1jns h ILE 24 CO -0.05 0.46 -0.16 0.11 0.00 0.00 0.00 178.15 178.50 1jns h LYS 25 N 0.90 -0.44 0.08 2.37 1.57 -0.82 2.17 116.57 122.40 1jns h LYS 25 Ca 0.13 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1jns h LYS 25 Cb 0.71 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1jns h LYS 25 CO 0.05 -0.21 -0.04 -0.97 -0.57 0.00 0.00 179.45 177.72 1jns h ASN 26 N -0.61 -0.09 0.00 0.86 -0.00 -1.21 -3.39 115.58 111.15 1jns h ASN 26 Ca -0.05 -0.03 -0.18 0.00 -0.00 0.00 0.00 56.30 56.04 1jns h ASN 26 Cb 0.44 0.02 -0.03 0.00 -0.00 0.00 0.00 38.32 38.76 1jns h ASN 26 CO 0.08 -0.03 -1.46 0.61 -0.00 0.00 0.00 177.43 176.63 1jns n GLY 27 N -1.03 -0.35 0.01 1.57 0.00 0.11 -5.11 105.19 100.39 1jns n GLY 27 Ca -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.01 -0.03 0.00 4.61 0.00 0.73 -4.95 120.51 116.86 1jns n ALA 28 Ca -0.25 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1jns n ALA 28 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 -2.18 0.00 0.04 0.00 8.00 -1.26 -4.83 116.55 116.32 1jns n ASP 29 Ca -0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 1jns n ASP 29 Cb 0.01 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.04 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 0.01 -0.01 1.24 0.04 -1.98 -1.83 116.94 114.40 1jns h PHE 30 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1jns h PHE 30 Cb 0.00 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 1jns h PHE 30 CO 0.00 0.01 0.00 0.78 -0.60 0.00 0.00 178.31 178.50 1jns h GLY 31 N 0.00 0.01 1.09 -1.45 0.00 -1.97 -2.23 103.07 98.52 1jns h GLY 31 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1jns h GLY 31 CO -0.00 0.01 0.17 0.50 0.00 0.00 0.00 176.54 177.21 1jns h LYS 32 N -0.17 1.13 -0.67 4.80 1.57 -1.94 -2.73 116.57 118.56 1jns h LYS 32 Ca 0.00 -0.27 -0.08 0.00 -1.87 0.00 0.00 60.65 58.43 1jns h LYS 32 Cb 0.19 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1jns h LYS 32 CO -0.00 1.00 0.10 1.25 -0.57 0.00 0.00 179.45 181.22 1jns h LEU 33 N 1.07 1.08 0.01 2.94 6.46 -1.29 -2.34 115.31 123.23 1jns h LEU 33 Ca 0.22 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1jns h LEU 33 Cb 0.38 -0.29 -0.00 0.00 -0.73 0.00 0.00 40.66 40.02 1jns h LEU 33 CO 0.00 1.07 -0.01 0.00 -0.62 0.00 0.00 178.44 178.88 1jns h ALA 34 N 1.04 -0.02 -0.00 1.25 0.00 -1.16 -1.21 119.26 119.16 1jns h ALA 34 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1jns h ALA 34 Cb 0.46 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1jns h ALA 34 CO 0.02 -0.51 -0.00 -0.22 0.00 0.00 0.00 179.25 178.53 1jns h LYS 35 N -0.03 -0.00 -0.17 0.00 3.64 -1.38 -1.63 116.57 117.00 1jns h LYS 35 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1jns h LYS 35 Cb 0.03 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1jns h LYS 35 CO -0.00 -0.00 0.01 -0.22 -2.27 0.00 0.00 179.45 176.96 1jns h LYS 36 N -0.00 0.30 0.00 1.90 3.64 -1.32 -3.21 116.57 117.88 1jns h LYS 36 Ca 0.00 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1jns h LYS 36 Cb 0.00 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1jns h LYS 36 CO -0.00 0.50 -0.10 0.45 -2.27 0.00 0.00 179.45 178.03 1jns h HIS 37 N 0.06 0.00 -0.97 1.91 3.86 -1.22 -3.36 115.15 115.42 1jns h HIS 37 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1jns h HIS 37 Cb 0.36 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.78 1jns h HIS 37 CO 0.03 1.04 0.61 0.77 0.86 0.00 0.00 177.93 181.24 1jns h SER 38 N -1.00 1.14 -5.98 2.45 0.02 -1.45 -3.45 113.55 105.28 1jns h SER 38 Ca -0.03 -0.05 -0.38 0.00 -0.84 0.00 0.00 61.79 60.49 1jns h SER 38 Cb 1.02 -0.29 -0.17 0.00 0.14 0.00 0.00 62.40 63.11 1jns h SER 38 CO -0.02 0.86 -0.57 -0.38 -1.14 0.00 0.00 176.83 175.58 1jns n ILE 39 N -4.37 -0.37 -4.33 3.27 2.08 -1.21 -4.76 119.36 109.67 1jns n ILE 39 Ca 0.11 -0.19 -0.17 0.00 0.56 0.00 0.00 62.75 63.06 1jns n ILE 39 Cb 0.04 -0.49 -0.10 0.00 -0.75 0.00 0.00 39.64 38.34 1jns n ILE 39 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1jns h PRO 41 N 2.35 0.03 -0.49 0.00 0.11 -2.02 2.06 132.00 134.03 1jns h PRO 41 Ca -0.38 -0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.51 1jns h PRO 41 Cb 1.25 -0.01 -0.13 0.00 0.11 0.00 0.00 31.00 32.23 1jns h PRO 41 CO 0.61 0.02 0.11 -1.13 -0.21 0.00 0.00 178.00 177.40 1jns n SER 42 N -4.26 3.23 -0.02 -2.05 3.41 -1.26 -3.59 113.62 109.09 1jns n SER 42 Ca 0.21 -3.54 -0.02 0.00 -0.26 0.00 0.00 58.87 55.26 1jns n SER 42 Cb 1.05 -0.67 -0.01 0.00 -0.26 0.00 0.00 64.21 64.33 1jns n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jns n GLY 43 N -0.91 -0.41 0.38 5.00 0.00 0.70 -0.17 105.19 109.78 1jns n GLY 43 Ca 0.37 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 46.29 1jns n GLY 43 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jns h LYS 44 N -0.24 1.32 0.00 1.61 1.63 -1.78 1.08 116.57 120.20 1jns h LYS 44 Ca 0.00 -0.08 -0.40 0.00 -0.85 0.00 0.00 60.65 59.32 1jns h LYS 44 Cb 0.24 -0.30 -0.07 0.00 -0.60 0.00 0.00 32.23 31.50 1jns h LYS 44 CO 0.00 0.87 -2.48 -2.13 -3.45 0.00 0.00 179.45 172.26 1jns n ARG 45 N -4.39 0.64 0.20 1.90 3.00 -1.25 -4.28 116.66 112.49 1jns n ARG 45 Ca 0.12 0.17 0.09 0.00 -0.00 0.00 0.00 57.85 58.22 1jns n ARG 45 Cb 0.01 -1.52 0.25 0.00 0.00 0.00 0.00 32.46 31.21 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 1.62 0.00 1.43 5.14 0.00 -1.41 -1.04 103.07 108.82 1jns h GLY 46 Ca -0.59 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1jns h GLY 46 CO -0.13 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.02 1jns n GLY 47 N 0.77 -0.78 2.68 4.60 0.00 0.37 -2.50 105.19 110.32 1jns n GLY 47 Ca 0.02 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 1jns n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jns n ASP 48 N -1.22 -1.60 0.17 1.61 -0.08 -0.90 -4.30 116.55 110.25 1jns n ASP 48 Ca 0.09 -2.03 0.02 0.00 -1.51 0.00 0.00 54.79 51.36 1jns n ASP 48 Cb 0.12 0.91 0.29 0.00 2.34 0.00 0.00 41.12 44.78 1jns n ASP 48 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1jns h LEU 49 N 3.34 0.00 0.00 -2.67 3.38 -1.31 -3.45 115.31 114.60 1jns h LEU 49 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1jns h LEU 49 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1jns h LEU 49 CO -0.10 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.51 1jns n GLY 50 N -0.08 0.36 3.46 0.83 0.00 -1.26 -4.99 105.19 103.51 1jns n GLY 50 Ca -0.01 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 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 2.90 0.21 1.61 2.12 -1.26 -2.25 118.70 122.04 1jns s GLU 51 Ca 0.00 -0.66 -0.10 0.00 0.36 0.00 0.00 54.97 54.58 1jns s GLU 51 Cb 0.00 -2.53 -0.01 0.00 0.26 0.00 0.00 34.13 31.85 1jns s GLU 51 CO 0.00 0.47 0.36 -0.59 -0.54 0.00 0.00 175.26 174.97 1jns s PHE 52 N -0.33 0.50 0.00 5.30 -0.12 -0.85 -4.91 117.98 117.57 1jns s PHE 52 Ca 0.03 -0.83 0.00 0.00 -0.05 0.00 0.00 56.93 56.08 1jns s PHE 52 Cb -0.13 -0.01 0.00 0.00 -0.63 0.00 0.00 43.02 42.26 1jns s PHE 52 CO 0.02 -0.85 0.29 -2.13 -0.05 0.00 0.00 175.22 172.51 1jns n ARG 53 N -0.31 0.00 -3.65 1.99 0.63 -1.26 -0.53 116.66 113.53 1jns n ARG 53 Ca -0.03 0.14 -0.00 0.00 -0.92 0.00 0.00 57.85 57.04 1jns n ARG 53 Cb 0.63 -0.79 -0.06 0.00 0.45 0.00 0.00 32.46 32.68 1jns n ARG 53 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 1jns s GLN 54 N -0.58 0.10 0.00 -0.14 -2.07 -1.25 -2.92 119.66 112.80 1jns s GLN 54 Ca 0.00 0.15 0.00 0.00 -1.82 0.00 0.00 55.36 53.69 1jns s GLN 54 Cb 0.00 0.03 0.00 0.00 -1.09 0.00 0.00 33.01 31.95 1jns s GLN 54 CO 0.00 -0.02 0.00 0.41 -1.32 0.00 0.00 175.29 174.36 1jns n GLY 55 N 2.66 1.51 0.34 2.60 0.00 -1.26 -4.91 105.19 106.13 1jns n GLY 55 Ca -0.15 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.88 1jns n GLY 55 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1jns h GLN 56 N 2.99 0.87 0.17 1.61 -0.00 -1.95 -3.26 115.11 115.54 1jns h GLN 56 Ca 0.00 -0.05 -0.29 0.00 -0.00 0.00 0.00 58.65 58.30 1jns h GLN 56 Cb 0.00 -0.20 0.01 0.00 -0.00 0.00 0.00 27.48 27.30 1jns h GLN 56 CO 0.00 0.58 -1.41 1.98 -0.00 0.00 0.00 178.83 179.98 1jns h MET 57 N 0.90 0.36 -1.35 0.06 4.05 -2.01 -3.48 114.93 113.45 1jns h MET 57 Ca 0.24 -0.61 0.14 0.00 -0.28 0.00 0.00 59.70 59.19 1jns h MET 57 Cb -0.10 0.23 -0.29 0.00 -0.80 0.00 0.00 31.60 30.63 1jns h MET 57 CO -0.05 1.29 0.58 0.54 0.23 0.00 0.00 176.91 179.50 1jns s VAL 58 N -2.52 0.00 0.16 -5.77 0.11 -1.23 -5.04 120.40 106.11 1jns s VAL 58 Ca -0.15 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 58.68 1jns s VAL 58 Cb 0.04 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.96 1jns s VAL 58 CO 0.84 0.00 1.61 1.55 -3.33 0.00 0.00 175.10 175.77 1jns h PRO 59 N 4.93 -0.21 -1.13 1.54 0.13 -1.94 0.39 132.00 135.71 1jns h PRO 59 Ca -0.28 0.01 0.37 0.00 -0.87 0.00 0.00 66.00 65.24 1jns h PRO 59 Cb 1.18 0.05 -0.13 0.00 0.13 0.00 0.00 31.00 32.22 1jns h PRO 59 CO 0.18 -0.14 0.69 0.00 -0.23 0.00 0.00 178.00 178.51 1jns h ALA 60 N 0.89 2.32 -0.98 -0.56 0.00 -1.96 0.65 119.26 119.62 1jns h ALA 60 Ca 0.18 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1jns h ALA 60 Cb 0.50 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1jns h ALA 60 CO -0.50 -0.93 0.65 0.35 0.00 0.00 0.00 179.25 178.83 1jns h PHE 61 N 0.21 1.24 -0.40 0.00 3.57 -1.32 -1.97 116.94 118.27 1jns h PHE 61 Ca 0.76 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.29 1jns h PHE 61 Cb 2.05 -0.42 -0.02 0.00 2.79 0.00 0.00 35.95 40.35 1jns h PHE 61 CO -0.01 0.77 0.26 0.22 -2.23 0.00 0.00 178.31 177.33 1jns h ASP 62 N 1.33 0.46 -0.00 0.41 1.82 0.32 0.62 116.42 121.37 1jns h ASP 62 Ca 0.36 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.99 1jns h ASP 62 Cb -0.14 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 39.75 1jns h ASP 62 CO -0.08 0.33 0.00 0.11 -1.61 0.00 0.00 179.24 177.99 1jns h LYS 63 N 0.54 0.00 -0.08 0.28 1.57 -1.27 -0.66 116.57 116.94 1jns h LYS 63 Ca 0.15 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.83 1jns h LYS 63 Cb -0.06 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1jns h LYS 63 CO -0.03 0.00 -0.35 -0.24 -0.57 0.00 0.00 179.45 178.26 1jns h VAL 64 N 0.00 1.41 -0.11 0.50 3.04 -1.15 1.00 116.25 120.94 1jns h VAL 64 Ca 0.00 -1.73 0.03 0.00 -1.01 0.00 0.00 66.70 63.99 1jns h VAL 64 Cb 0.00 2.29 -0.00 0.00 -2.01 0.00 0.00 31.29 31.56 1jns h VAL 64 CO -0.00 0.50 0.15 1.62 -1.01 0.00 0.00 177.57 178.83 1jns h VAL 65 N -0.10 0.37 -0.02 1.51 3.04 -0.92 1.15 116.25 121.28 1jns h VAL 65 Ca -0.02 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 1jns h VAL 65 Cb 0.99 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 1jns h VAL 65 CO 0.07 0.00 -0.13 0.33 -1.01 0.00 0.00 177.57 176.83 1jns n PHE 66 N -3.62 0.00 -0.02 3.17 -0.00 -0.26 -4.47 117.46 112.26 1jns n PHE 66 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.43 1jns n PHE 66 Cb 0.25 -0.01 -0.01 0.00 -0.00 0.00 0.00 39.48 39.72 1jns n PHE 66 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1jns n SER 67 N 0.65 0.49 -4.71 -2.13 2.88 0.37 -4.91 113.62 106.26 1jns n SER 67 Ca 0.14 0.18 -0.38 0.00 -1.33 0.00 0.00 58.87 57.47 1jns n SER 67 Cb 0.50 -0.57 -0.06 0.00 -0.75 0.00 0.00 64.21 63.33 1jns n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jns n PRO 69 N 3.94 -0.95 -0.48 0.00 -0.02 -1.26 -4.54 135.00 131.69 1jns n PRO 69 Ca -0.07 -0.25 -0.28 0.00 -2.02 0.00 0.00 63.50 60.87 1jns n PRO 69 Cb 0.51 -1.66 0.26 0.00 -0.02 0.00 0.00 33.50 32.59 1jns n PRO 69 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1jns n VAL 70 N -3.97 0.00 -2.10 -1.45 0.24 -1.26 -3.20 118.33 106.59 1jns n VAL 70 Ca 0.02 -0.45 -0.21 0.00 -2.04 0.00 0.00 64.34 61.66 1jns n VAL 70 Cb 0.60 -0.99 -0.04 0.00 -1.47 0.00 0.00 33.84 31.94 1jns n VAL 70 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1jns n LEU 71 N -4.93 -1.79 -3.69 1.34 4.32 -0.47 -4.93 117.00 106.85 1jns n LEU 71 Ca 0.03 0.19 -0.29 0.00 -0.02 0.00 0.00 56.01 55.91 1jns n LEU 71 Cb 0.54 -2.92 -0.13 0.00 -1.62 0.00 0.00 43.42 39.29 1jns n LEU 71 CO 0.57 -0.55 -0.26 -0.70 -1.22 0.00 0.00 177.39 175.22 1jns s GLU 72 N -4.56 1.14 -0.32 3.23 -6.30 -1.19 -5.01 118.70 105.69 1jns s GLU 72 Ca 0.00 -1.83 -0.34 0.00 -2.50 0.00 0.00 54.97 50.29 1jns s GLU 72 Cb 0.00 -2.19 -0.11 0.00 0.00 0.00 0.00 34.13 31.84 1jns s GLU 72 CO 0.00 -1.15 2.17 -2.30 0.02 0.00 0.00 175.26 174.00 1jns n PRO 73 N 3.74 1.23 -5.21 4.30 -0.02 -1.26 -4.59 135.00 133.19 1jns n PRO 73 Ca 0.08 0.34 -0.32 0.00 -2.02 0.00 0.00 63.50 61.58 1jns n PRO 73 Cb 0.35 -2.56 -0.17 0.00 -0.02 0.00 0.00 33.50 31.10 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 7.23 2.07 -5.00 3.45 2.01 -0.89 -5.00 115.64 119.52 1jns s THR 74 Ca 1.08 -1.02 0.00 0.00 0.31 0.00 0.00 61.69 62.06 1jns s THR 74 Cb -0.79 -1.79 0.00 0.00 0.01 0.00 0.00 72.50 69.93 1jns s THR 74 CO 0.48 0.56 0.00 0.61 -0.69 0.00 0.00 174.62 175.58 1jns n GLY 75 N 3.52 -0.00 3.75 4.40 0.00 -1.26 -2.15 105.19 113.46 1jns n GLY 75 Ca -0.19 -1.62 -0.40 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.00 4.67 0.54 1.61 0.04 -1.26 -5.02 135.00 133.58 1jns s PRO 76 Ca 0.00 1.73 0.07 0.00 0.04 0.00 0.00 61.00 62.84 1jns s PRO 76 Cb 0.00 -3.22 0.06 0.00 0.04 0.00 0.00 34.50 31.38 1jns s PRO 76 CO 0.00 0.24 0.75 -0.51 0.04 0.00 0.00 177.00 177.52 1jns s LEU 77 N -1.18 3.28 -0.17 -3.56 2.01 0.37 -4.85 118.68 114.57 1jns s LEU 77 Ca 0.45 -0.56 -0.04 0.00 0.01 0.00 0.00 54.13 53.99 1jns s LEU 77 Cb -0.30 -2.14 -0.02 0.00 0.01 0.00 0.00 46.19 43.74 1jns s LEU 77 CO 0.38 -1.21 -0.04 -1.00 1.01 0.00 0.00 176.35 175.49 1jns s HIS 78 N -2.64 3.00 0.18 0.29 3.76 -1.26 -0.80 115.29 117.82 1jns s HIS 78 Ca 0.60 -0.43 -0.01 0.00 -0.15 0.00 0.00 55.06 55.06 1jns s HIS 78 Cb -0.07 -2.00 -0.04 0.00 1.11 0.00 0.00 32.58 31.58 1jns s HIS 78 CO 0.38 -0.16 0.12 -0.08 -0.85 0.00 0.00 174.74 174.15 1jns s THR 79 N 0.64 0.03 0.25 1.30 -1.32 -0.28 -4.89 115.64 111.37 1jns s THR 79 Ca -0.02 -1.95 -0.06 0.00 -1.21 0.00 0.00 61.69 58.44 1jns s THR 79 Cb -0.14 -2.37 0.26 0.00 -1.51 0.00 0.00 72.50 68.73 1jns s THR 79 CO 0.02 -0.12 1.93 -0.61 -2.21 0.00 0.00 174.62 173.63 1jns h GLN 80 N 2.67 1.31 0.00 7.08 4.15 -2.02 -1.42 115.11 126.89 1jns h GLN 80 Ca -0.35 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 58.99 1jns h GLN 80 Cb 1.24 -0.30 0.00 0.00 0.21 0.00 0.00 27.48 28.63 1jns h GLN 80 CO 0.54 0.87 0.00 0.74 -1.93 0.00 0.00 178.83 179.05 1jns h PHE 81 N 1.35 0.00 0.00 3.99 0.04 -2.01 -3.48 116.94 116.83 1jns h PHE 81 Ca 0.37 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.14 1jns h PHE 81 Cb -0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.00 1jns h PHE 81 CO -0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 1jns n GLY 82 N -0.70 0.53 3.63 -1.45 0.00 -0.53 -4.93 105.19 101.75 1jns n GLY 82 Ca -0.01 -1.38 -0.38 0.00 0.00 0.00 0.00 46.02 44.26 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 -4.00 3.29 -0.25 1.61 1.51 -0.31 -1.12 117.35 118.08 1jns s TYR 83 Ca 0.00 0.37 -0.08 0.00 -1.01 0.00 0.00 57.07 56.35 1jns s TYR 83 Cb 0.00 -2.45 -0.03 0.00 -0.11 0.00 0.00 41.96 39.37 1jns s TYR 83 CO 0.00 -0.09 0.08 -1.01 -1.11 0.00 0.00 175.55 173.42 1jns s HIS 84 N 1.56 3.09 -0.22 2.71 3.76 0.02 -1.12 115.29 125.11 1jns s HIS 84 Ca 0.13 -0.39 -0.05 0.00 -0.15 0.00 0.00 55.06 54.60 1jns s HIS 84 Cb -0.15 -2.25 -0.02 0.00 1.11 0.00 0.00 32.58 31.28 1jns s HIS 84 CO 0.08 -0.35 -0.01 -1.50 -0.85 0.00 0.00 174.74 172.12 1jns s ILE 85 N 1.62 3.74 -0.12 0.60 2.07 -0.89 0.14 121.20 128.35 1jns s ILE 85 Ca 0.06 -0.37 0.01 0.00 -1.41 0.00 0.00 60.65 58.94 1jns s ILE 85 Cb -0.15 -2.71 -0.01 0.00 0.13 0.00 0.00 42.46 39.72 1jns s ILE 85 CO 0.04 0.41 -0.16 -0.63 -1.91 0.00 0.00 174.94 172.69 1jns s ILE 86 N 1.34 2.81 -0.17 2.00 1.01 -0.91 -2.13 121.20 125.15 1jns s ILE 86 Ca 0.04 -0.75 -0.07 0.00 0.00 0.00 0.00 60.65 59.87 1jns s ILE 86 Cb -0.15 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 1jns s ILE 86 CO 0.00 0.53 0.08 -0.75 0.00 0.00 0.00 174.94 174.80 1jns s LYS 87 N 0.34 3.86 -0.03 2.79 2.20 -0.58 -2.09 119.74 126.24 1jns s LYS 87 Ca -0.13 -0.30 0.07 0.00 -0.36 0.00 0.00 55.97 55.25 1jns s LYS 87 Cb -0.16 -3.21 -0.02 0.00 -1.51 0.00 0.00 37.83 32.93 1jns s LYS 87 CO 0.07 0.38 -0.25 0.14 -0.36 0.00 0.00 175.35 175.32 1jns s VAL 88 N 0.09 2.09 0.00 4.02 -7.23 -1.26 -1.62 120.40 116.49 1jns s VAL 88 Ca 0.06 -1.08 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 1jns s VAL 88 Cb -0.12 -1.73 0.00 0.00 0.56 0.00 0.00 36.38 35.09 1jns s VAL 88 CO 0.00 0.58 0.00 0.18 -0.31 0.00 0.00 175.10 175.55 1jns n LEU 89 N 2.59 0.00 0.00 1.32 4.77 -0.13 -1.37 117.00 124.19 1jns n LEU 89 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1jns n LEU 89 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1jns n LEU 89 CO 0.24 0.00 0.00 -1.22 -1.33 0.00 0.00 177.39 175.08 1jns n TYR 90 N 0.00 0.00 -3.67 -1.77 4.02 -1.26 -2.68 117.16 111.79 1jns n TYR 90 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.68 1jns n TYR 90 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.36 1jns n TYR 90 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1jns n ARG 91 N 0.00 -4.97 -0.11 -0.72 0.00 -1.24 -4.87 116.66 104.75 1jns n ARG 91 Ca 0.00 0.64 0.00 0.00 -0.00 0.00 0.00 57.85 58.49 1jns n ARG 91 Cb 0.00 -5.23 0.00 0.00 0.00 0.00 0.00 32.46 27.23 1jns n ARG 91 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92