#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 1.19 -4.69 0.00 3.64 -1.92 -3.38 116.57 111.41 1jns h LYS 2 Ca 0.00 -0.22 -0.25 0.00 -1.27 0.00 0.00 60.65 58.91 1jns h LYS 2 Cb 0.00 -0.19 -0.15 0.00 -0.41 0.00 0.00 32.23 31.48 1jns h LYS 2 CO 0.00 0.97 -0.68 0.95 -2.27 0.00 0.00 179.45 178.42 1jns s THR 3 N -5.53 0.64 -0.14 1.00 -4.23 -1.26 -4.89 115.64 101.23 1jns s THR 3 Ca -0.12 -1.95 -0.03 0.00 -1.18 0.00 0.00 61.69 58.41 1jns s THR 3 Cb 0.16 -1.90 -0.03 0.00 1.34 0.00 0.00 72.50 72.07 1jns s THR 3 CO 0.84 -0.67 -0.05 0.00 -0.54 0.00 0.00 174.62 174.19 1jns s ALA 4 N -3.67 2.95 -0.26 3.99 0.00 -0.71 -4.17 121.76 119.88 1jns s ALA 4 Ca 0.18 -0.83 -0.11 0.00 0.00 0.00 0.00 51.96 51.19 1jns s ALA 4 Cb 0.06 -1.47 -0.05 0.00 0.00 0.00 0.00 23.12 21.66 1jns s ALA 4 CO -0.01 0.27 0.21 0.00 0.00 0.00 0.00 175.76 176.23 1jns s ALA 5 N 0.20 3.56 -0.02 0.00 0.00 -0.26 -1.43 121.76 123.82 1jns s ALA 5 Ca -0.03 -0.96 -0.00 0.00 0.00 0.00 0.00 51.96 50.96 1jns s ALA 5 Cb -0.14 -2.45 0.02 0.00 0.00 0.00 0.00 23.12 20.55 1jns s ALA 5 CO 0.03 -0.42 0.03 0.00 0.00 0.00 0.00 175.76 175.40 1jns s ALA 6 N 1.52 0.06 -0.09 0.00 0.00 -0.80 -0.44 121.76 122.00 1jns s ALA 6 Ca 0.09 0.25 -0.09 0.00 0.00 0.00 0.00 51.96 52.21 1jns s ALA 6 Cb -0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1jns s ALA 6 CO 0.08 -0.09 0.21 -0.51 0.00 0.00 0.00 175.76 175.45 1jns s LEU 7 N 0.86 4.41 -0.10 0.00 1.43 -0.93 -3.10 118.68 121.25 1jns s LEU 7 Ca -0.07 0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 53.60 1jns s LEU 7 Cb -0.10 -2.20 0.03 0.00 0.03 0.00 0.00 46.19 43.95 1jns s LEU 7 CO -0.02 0.38 0.01 -1.00 0.23 0.00 0.00 176.35 175.95 1jns s HIS 8 N -1.01 0.76 -0.20 0.29 3.76 0.11 -1.15 115.29 117.85 1jns s HIS 8 Ca 0.17 -0.32 -0.07 0.00 -0.15 0.00 0.00 55.06 54.69 1jns s HIS 8 Cb -0.13 -0.86 -0.04 0.00 1.11 0.00 0.00 32.58 32.66 1jns s HIS 8 CO 0.06 -0.39 0.05 0.42 -0.85 0.00 0.00 174.74 174.03 1jns s ILE 9 N 1.94 4.52 -0.30 0.60 1.01 -0.93 -2.47 121.20 125.58 1jns s ILE 9 Ca 0.04 -0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.46 1jns s ILE 9 Cb -0.13 -3.06 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 1jns s ILE 9 CO -0.06 0.42 0.18 -0.22 0.00 0.00 0.00 174.94 175.26 1jns s LEU 10 N 0.79 4.08 -0.20 2.97 0.20 -1.26 -2.15 118.68 123.11 1jns s LEU 10 Ca 0.03 -0.25 -0.05 0.00 0.69 0.00 0.00 54.13 54.55 1jns s LEU 10 Cb -0.14 -2.07 -0.03 0.00 -0.43 0.00 0.00 46.19 43.53 1jns s LEU 10 CO 0.02 -0.12 0.00 -0.69 -0.29 0.00 0.00 176.35 175.27 1jns s VAL 11 N 1.70 4.00 0.17 1.68 1.01 -0.42 -4.74 120.40 123.80 1jns s VAL 11 Ca 0.06 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 1jns s VAL 11 Cb -0.16 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1jns s VAL 11 CO 0.09 0.43 1.55 0.11 0.00 0.00 0.00 175.10 177.28 1jns h LYS 12 N 7.39 0.94 -6.03 2.72 1.79 -1.88 -1.48 116.57 120.03 1jns h LYS 12 Ca -0.36 -0.42 -0.68 0.00 -2.18 0.00 0.00 60.65 57.02 1jns h LYS 12 Cb 1.18 -0.02 -0.21 0.00 -1.58 0.00 0.00 32.23 31.60 1jns h LYS 12 CO 0.62 1.08 -0.71 -1.21 -1.08 0.00 0.00 179.45 178.14 1jns s GLU 13 N -4.59 2.84 0.22 3.15 2.02 -1.26 -4.68 118.70 116.39 1jns s GLU 13 Ca -0.11 -0.59 -0.10 0.00 0.02 0.00 0.00 54.97 54.20 1jns s GLU 13 Cb 0.12 -2.58 0.17 0.00 0.10 0.00 0.00 34.13 31.95 1jns s GLU 13 CO 0.87 0.57 1.89 1.49 0.02 0.00 0.00 175.26 180.10 1jns h GLU 14 N 5.54 1.05 -0.96 1.61 4.81 -1.98 -0.50 114.58 124.14 1jns h GLU 14 Ca -0.44 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 58.79 1jns h GLU 14 Cb 1.17 -0.24 -0.07 0.00 0.63 0.00 0.00 28.75 30.25 1jns h GLU 14 CO 0.53 0.69 0.61 0.87 -0.73 0.00 0.00 179.01 180.99 1jns h LYS 15 N 1.08 1.07 -0.45 1.92 1.57 -1.98 1.20 116.57 120.98 1jns h LYS 15 Ca 0.29 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.86 1jns h LYS 15 Cb -0.12 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 31.94 1jns h LYS 15 CO -0.06 0.71 -0.28 1.25 -0.57 0.00 0.00 179.45 180.49 1jns h LEU 16 N 1.10 1.02 -0.94 2.94 6.46 -1.84 -1.55 115.31 122.51 1jns h LEU 16 Ca 0.42 -0.42 0.01 0.00 -0.12 0.00 0.00 57.88 57.77 1jns h LEU 16 Cb 0.20 -0.28 -0.05 0.00 -0.73 0.00 0.00 40.66 39.80 1jns h LEU 16 CO -0.18 1.22 0.62 0.00 -0.62 0.00 0.00 178.44 179.48 1jns h ALA 17 N 0.83 1.19 -0.84 1.25 0.00 0.72 -0.49 119.26 121.92 1jns h ALA 17 Ca 0.09 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1jns h ALA 17 Cb 0.87 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1jns h ALA 17 CO 0.08 0.58 0.56 -0.07 0.00 0.00 0.00 179.25 180.40 1jns h LEU 18 N 1.27 0.96 -0.53 0.00 3.38 0.17 0.18 115.31 120.75 1jns h LEU 18 Ca 0.34 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1jns h LEU 18 Cb -0.14 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.34 1jns h LEU 18 CO -0.08 0.70 0.35 -0.78 0.09 0.00 0.00 178.44 178.72 1jns h ASP 19 N 1.14 0.61 -0.47 -0.43 1.82 -0.20 -0.92 116.42 117.97 1jns h ASP 19 Ca 0.31 -0.02 -0.04 0.00 -0.39 0.00 0.00 57.03 56.89 1jns h ASP 19 Cb -0.13 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 39.71 1jns h ASP 19 CO -0.07 0.44 0.14 0.17 -1.61 0.00 0.00 179.24 178.31 1jns h LEU 20 N 0.72 0.69 -0.20 2.28 8.10 -0.32 0.97 115.31 127.55 1jns h LEU 20 Ca 0.19 -0.21 0.04 0.00 0.11 0.00 0.00 57.88 58.01 1jns h LEU 20 Cb -0.08 -0.18 -0.04 0.00 -0.44 0.00 0.00 40.66 39.92 1jns h LEU 20 CO -0.04 0.72 -0.04 -0.07 -4.11 0.00 0.00 178.44 174.89 1jns h LEU 21 N 0.62 -0.17 -0.90 0.17 3.38 -0.19 -0.74 115.31 117.49 1jns h LEU 21 Ca 0.15 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1jns h LEU 21 Cb 0.28 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1jns h LEU 21 CO -0.00 -0.06 0.49 -0.33 0.09 0.00 0.00 178.44 178.62 1jns h GLU 22 N 0.01 1.26 -0.99 1.13 4.39 -1.02 -3.00 114.58 116.36 1jns h GLU 22 Ca 0.09 -0.15 0.01 0.00 0.34 0.00 0.00 59.36 59.65 1jns h GLU 22 Cb 0.14 -0.24 -0.05 0.00 -0.10 0.00 0.00 28.75 28.50 1jns h GLU 22 CO -0.20 0.93 0.65 0.37 -1.16 0.00 0.00 179.01 179.60 1jns h GLN 23 N 1.26 1.31 -0.79 2.33 5.75 0.60 -2.19 115.11 123.38 1jns h GLN 23 Ca 0.32 -0.08 -0.04 0.00 -0.15 0.00 0.00 58.65 58.70 1jns h GLN 23 Cb 0.04 -0.29 -0.04 0.00 1.07 0.00 0.00 27.48 28.26 1jns h GLN 23 CO -0.05 0.87 0.35 0.82 -2.65 0.00 0.00 178.83 178.18 1jns h ILE 24 N 1.35 1.25 0.65 2.39 2.04 -1.11 1.92 117.51 126.00 1jns h ILE 24 Ca 0.36 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 1jns h ILE 24 Cb -0.15 0.28 0.01 0.00 -0.74 0.00 0.00 36.82 36.22 1jns h ILE 24 CO -0.08 0.31 -0.31 0.50 0.00 0.00 0.00 178.15 178.57 1jns h LYS 25 N 1.13 -0.84 -1.00 2.37 3.64 -1.56 2.07 116.57 122.37 1jns h LYS 25 Ca 0.27 0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.71 1jns h LYS 25 Cb 0.16 0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 1jns h LYS 25 CO -0.03 -0.53 0.66 -0.91 -2.27 0.00 0.00 179.45 176.38 1jns h ASN 26 N -1.14 1.15 0.00 4.20 -0.26 -1.29 -3.37 115.58 114.87 1jns h ASN 26 Ca -0.09 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.62 1jns h ASN 26 Cb 0.70 -0.29 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 1jns h ASN 26 CO 0.15 0.84 -0.56 0.61 -1.06 0.00 0.00 177.43 177.41 1jns n GLY 27 N -1.37 -0.42 1.37 2.83 0.00 0.65 -5.08 105.19 103.16 1jns n GLY 27 Ca 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.73 -2.73 0.00 4.61 0.00 0.70 -4.95 120.51 114.40 1jns n ALA 28 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1jns n ALA 28 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 0.00 0.00 -0.35 0.00 8.00 -1.26 -5.04 116.55 117.90 1jns n ASP 29 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.47 1jns n ASP 29 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.20 1jns n ASP 29 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1jns h PHE 30 N 0.00 1.25 0.26 1.24 3.04 -1.98 -0.70 116.94 120.06 1jns h PHE 30 Ca 0.00 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 1jns h PHE 30 Cb 0.00 -0.41 0.00 0.00 2.56 0.00 0.00 35.95 38.11 1jns h PHE 30 CO 0.00 0.84 -0.13 0.78 -2.02 0.00 0.00 178.31 177.79 1jns h GLY 31 N 1.30 -0.37 1.02 2.40 0.00 -1.96 -0.29 103.07 105.17 1jns h GLY 31 Ca 0.33 0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.74 1jns h GLY 31 CO -0.06 -0.13 0.13 1.70 0.00 0.00 0.00 176.54 178.18 1jns h LYS 32 N -0.65 0.97 -0.63 4.80 3.64 -1.94 -2.20 116.57 120.54 1jns h LYS 32 Ca -0.04 -0.24 -0.09 0.00 -1.27 0.00 0.00 60.65 59.01 1jns h LYS 32 Cb 0.46 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1jns h LYS 32 CO 0.06 0.90 0.03 -0.07 -2.27 0.00 0.00 179.45 178.10 1jns h LEU 33 N 0.87 1.07 -0.11 5.20 3.38 -1.14 -2.71 115.31 121.88 1jns h LEU 33 Ca 0.18 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1jns h LEU 33 Cb 0.38 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1jns h LEU 33 CO 0.01 1.10 0.07 0.00 0.09 0.00 0.00 178.44 179.70 1jns h ALA 34 N 1.01 0.14 -0.37 1.53 0.00 -0.85 -1.80 119.26 118.92 1jns h ALA 34 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1jns h ALA 34 Cb 0.53 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1jns h ALA 34 CO 0.03 -0.36 0.25 0.87 0.00 0.00 0.00 179.25 180.03 1jns h LYS 35 N 0.14 0.49 0.04 0.00 1.57 -1.25 -1.26 116.57 116.30 1jns h LYS 35 Ca 0.04 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1jns h LYS 35 Cb -0.00 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1jns h LYS 35 CO -0.01 0.32 -0.02 0.87 -0.57 0.00 0.00 179.45 180.04 1jns h LYS 36 N 0.50 -0.06 -0.37 3.15 1.57 -1.40 -3.25 116.57 116.71 1jns h LYS 36 Ca 0.14 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.75 1jns h LYS 36 Cb -0.06 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 1jns h LYS 36 CO -0.03 0.39 -0.42 0.45 -0.57 0.00 0.00 179.45 179.28 1jns h HIS 37 N -0.53 1.13 -0.44 -1.35 3.86 -1.32 -3.27 115.15 113.23 1jns h HIS 37 Ca -0.01 -0.35 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 1jns h HIS 37 Cb 0.48 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 1jns h HIS 37 CO 0.08 1.18 0.29 1.03 0.86 0.00 0.00 177.93 181.38 1jns h SER 38 N 0.75 0.51 -5.66 2.45 0.87 -1.34 -3.45 113.55 107.69 1jns h SER 38 Ca 0.05 -0.01 -0.25 0.00 -1.23 0.00 0.00 61.79 60.35 1jns h SER 38 Cb 1.02 -0.13 -0.15 0.00 -0.44 0.00 0.00 62.40 62.70 1jns h SER 38 CO 0.10 0.37 -0.36 0.00 -0.53 0.00 0.00 176.83 176.41 1jns n ILE 39 N -4.78 0.00 -4.41 2.23 3.06 -1.23 -4.81 119.36 109.43 1jns n ILE 39 Ca 0.01 0.00 -0.20 0.00 -2.50 0.00 0.00 62.75 60.06 1jns n ILE 39 Cb 0.02 -0.20 -0.10 0.00 0.54 0.00 0.00 39.64 39.90 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 2.30 0.20 -0.42 0.00 0.13 -2.04 2.08 132.00 134.25 1jns h PRO 41 Ca -0.40 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1jns h PRO 41 Cb 1.23 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1jns h PRO 41 CO 0.67 0.13 0.00 -1.13 -0.23 0.00 0.00 178.00 177.44 1jns n SER 42 N -4.42 2.48 0.14 1.44 3.41 -1.26 -4.28 113.62 111.13 1jns n SER 42 Ca 0.24 -1.95 -0.13 0.00 -0.26 0.00 0.00 58.87 56.76 1jns n SER 42 Cb 1.00 -0.28 -0.06 0.00 -0.26 0.00 0.00 64.21 64.61 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 4.94 -0.51 1.03 5.00 0.00 0.31 2.48 103.07 116.31 1jns h GLY 43 Ca 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 1jns h GLY 43 CO 0.00 -0.22 0.54 1.70 0.00 0.00 0.00 176.54 178.55 1jns h LYS 44 N -0.49 1.28 0.00 4.80 3.64 -1.74 -2.28 116.57 121.77 1jns h LYS 44 Ca 0.01 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1jns h LYS 44 Cb 0.49 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1jns h LYS 44 CO -0.11 0.91 -0.08 -2.13 -2.27 0.00 0.00 179.45 175.78 1jns n ARG 45 N -4.34 0.05 -0.31 1.90 0.63 -0.55 -3.68 116.66 110.37 1jns n ARG 45 Ca 0.10 0.17 0.13 0.00 -0.92 0.00 0.00 57.85 57.33 1jns n ARG 45 Cb 0.08 -0.75 0.36 0.00 0.45 0.00 0.00 32.46 32.60 1jns n ARG 45 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1jns h GLY 46 N -0.11 1.40 1.55 5.14 0.00 0.39 2.10 103.07 113.56 1jns h GLY 46 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1jns h GLY 46 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.18 1jns n GLY 47 N -1.40 -0.77 2.69 4.60 0.00 0.22 0.07 105.19 110.59 1jns n GLY 47 Ca 0.20 -0.07 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.28 -1.76 0.22 1.61 -0.08 0.61 -4.21 116.55 111.67 1jns n ASP 48 Ca 0.07 -2.11 0.09 0.00 -1.51 0.00 0.00 54.79 51.33 1jns n ASP 48 Cb 0.12 1.01 0.48 0.00 2.34 0.00 0.00 41.12 45.06 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 3.50 0.00 0.00 -2.67 3.38 0.15 -3.40 115.31 116.26 1jns h LEU 49 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 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 -0.06 0.26 0.00 0.61 0.09 0.00 0.00 178.44 179.34 1jns n GLY 50 N -0.06 0.43 3.67 0.83 0.00 -1.25 -4.77 105.19 104.03 1jns n GLY 50 Ca -0.01 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 1jns n GLY 50 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jns s GLU 51 N 0.00 4.05 0.11 1.61 2.02 -1.26 -1.91 118.70 123.32 1jns s GLU 51 Ca 0.00 -0.30 0.03 0.00 0.02 0.00 0.00 54.97 54.72 1jns s GLU 51 Cb 0.00 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 1jns s GLU 51 CO 0.00 0.27 -0.08 -0.59 0.02 0.00 0.00 175.26 174.88 1jns s PHE 52 N 0.41 0.98 0.02 1.61 -0.12 -0.52 -4.86 117.98 115.50 1jns s PHE 52 Ca 0.05 -0.84 0.07 0.00 -0.05 0.00 0.00 56.93 56.16 1jns s PHE 52 Cb -0.12 -0.55 -0.03 0.00 -0.63 0.00 0.00 43.02 41.70 1jns s PHE 52 CO -0.00 -0.08 -0.19 1.03 -0.05 0.00 0.00 175.22 175.92 1jns s ARG 53 N -3.63 2.11 0.00 1.99 0.52 -1.26 -1.75 118.95 116.93 1jns s ARG 53 Ca 0.11 -0.95 0.00 0.00 -0.52 0.00 0.00 55.73 54.38 1jns s ARG 53 Cb 0.03 -2.18 0.00 0.00 0.52 0.00 0.00 34.95 33.32 1jns s ARG 53 CO -0.03 0.55 0.00 1.04 0.02 0.00 0.00 175.30 176.88 1jns n GLN 54 N 1.77 0.00 -0.40 3.54 6.02 -1.26 -3.65 117.38 123.39 1jns n GLN 54 Ca -0.16 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.67 1jns n GLN 54 Cb 0.52 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.76 1jns n GLN 54 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jns n GLY 55 N 0.00 2.14 0.00 1.08 0.00 -1.26 -3.69 105.19 103.45 1jns n GLY 55 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 5.17 0.21 -1.79 1.61 1.13 -1.24 -5.12 117.38 117.36 1jns n GLN 56 Ca 0.24 -0.45 -0.14 0.00 -1.94 0.00 0.00 57.00 54.70 1jns n GLN 56 Cb 0.12 -0.68 0.08 0.00 0.11 0.00 0.00 30.24 29.86 1jns n GLN 56 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1jns n MET 57 N -0.07 0.12 -3.64 -1.09 2.81 -1.24 -5.08 117.12 108.92 1jns n MET 57 Ca 0.00 -1.66 -0.06 0.00 -1.81 0.00 0.00 57.70 54.18 1jns n MET 57 Cb 0.26 -0.43 -0.07 0.00 -0.71 0.00 0.00 33.22 32.27 1jns n MET 57 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1jns s VAL 58 N -1.87 0.00 0.16 2.03 0.11 -1.26 -4.99 120.40 114.59 1jns s VAL 58 Ca 0.41 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.38 1jns s VAL 58 Cb -0.02 -1.00 0.22 0.00 -1.53 0.00 0.00 36.38 34.05 1jns s VAL 58 CO 0.27 0.00 1.00 -2.65 -3.33 0.00 0.00 175.10 170.40 1jns n PRO 59 N 2.39 -0.11 -0.23 1.54 -0.01 -1.26 0.23 135.00 137.55 1jns n PRO 59 Ca -0.13 1.00 -0.06 0.00 -0.01 0.00 0.00 63.50 64.29 1jns n PRO 59 Cb 0.56 -1.49 0.04 0.00 -0.01 0.00 0.00 33.50 32.61 1jns n PRO 59 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1jns h ALA 60 N 1.09 0.84 -0.99 3.55 0.00 -1.97 -2.60 119.26 119.18 1jns h ALA 60 Ca 0.27 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1jns h ALA 60 Cb 0.43 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1jns h ALA 60 CO -0.65 0.37 0.65 0.35 0.00 0.00 0.00 179.25 179.97 1jns h PHE 61 N 0.90 1.25 -0.57 0.00 3.57 0.24 -2.15 116.94 120.18 1jns h PHE 61 Ca 0.23 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 1jns h PHE 61 Cb 0.06 -0.42 -0.02 0.00 2.79 0.00 0.00 35.95 38.36 1jns h PHE 61 CO -0.00 0.79 0.22 0.22 -2.23 0.00 0.00 178.31 177.31 1jns h ASP 62 N 1.34 0.79 0.41 0.41 1.82 -0.83 -0.86 116.42 119.50 1jns h ASP 62 Ca 0.36 -0.18 -0.01 0.00 -0.39 0.00 0.00 57.03 56.82 1jns h ASP 62 Cb -0.15 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 39.64 1jns h ASP 62 CO -0.08 0.75 -0.30 0.11 -1.61 0.00 0.00 179.24 178.11 1jns h LYS 63 N 0.79 -0.67 -0.23 0.28 1.57 -1.07 -2.18 116.57 115.05 1jns h LYS 63 Ca 0.19 0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.91 1jns h LYS 63 Cb 0.21 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1jns h LYS 63 CO -0.01 -0.45 -0.25 -0.24 -0.57 0.00 0.00 179.45 177.92 1jns h VAL 64 N -0.70 1.32 -0.34 0.50 3.04 -1.27 0.72 116.25 119.52 1jns h VAL 64 Ca -0.04 -1.43 0.10 0.00 -1.01 0.00 0.00 66.70 64.32 1jns h VAL 64 Cb 0.60 1.71 -0.01 0.00 -2.01 0.00 0.00 31.29 31.58 1jns h VAL 64 CO 0.01 0.44 0.31 1.62 -1.01 0.00 0.00 177.57 178.94 1jns h VAL 65 N 0.28 0.54 -0.00 1.51 3.04 -1.20 1.01 116.25 121.43 1jns h VAL 65 Ca 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.72 1jns h VAL 65 Cb 0.81 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 30.86 1jns h VAL 65 CO 0.06 0.00 -0.65 0.49 -1.01 0.00 0.00 177.57 176.46 1jns n PHE 66 N -3.98 0.00 -0.05 3.17 3.72 -0.77 -4.22 117.46 115.34 1jns n PHE 66 Ca 0.05 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.24 1jns n PHE 66 Cb 0.48 -0.11 -0.13 0.00 -0.94 0.00 0.00 39.48 38.78 1jns n PHE 66 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1jns n SER 67 N -1.21 2.05 -4.38 4.37 7.64 0.29 -4.95 113.62 117.43 1jns n SER 67 Ca 0.06 0.16 -0.28 0.00 1.01 0.00 0.00 58.87 59.82 1jns n SER 67 Cb 0.35 -0.77 -0.13 0.00 -1.01 0.00 0.00 64.21 62.66 1jns n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jns s PRO 69 N -2.12 3.07 1.25 0.00 0.04 -1.26 -4.50 135.00 131.47 1jns s PRO 69 Ca 0.14 1.17 -0.17 0.00 0.04 0.00 0.00 61.00 62.19 1jns s PRO 69 Cb -0.10 -2.00 0.28 0.00 0.04 0.00 0.00 34.50 32.73 1jns s PRO 69 CO 0.06 -1.00 0.77 1.55 0.04 0.00 0.00 177.00 178.41 1jns n VAL 70 N -2.45 0.00 -3.69 -0.36 3.14 -1.26 -3.39 118.33 110.32 1jns n VAL 70 Ca 0.09 -0.33 -0.26 0.00 -2.96 0.00 0.00 64.34 60.87 1jns n VAL 70 Cb 0.53 -0.90 0.06 0.00 -1.06 0.00 0.00 33.84 32.47 1jns n VAL 70 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1jns n LEU 71 N -4.45 -3.05 -3.54 6.55 4.32 0.62 -4.96 117.00 112.49 1jns n LEU 71 Ca 0.05 -0.62 -0.04 0.00 -0.02 0.00 0.00 56.01 55.38 1jns n LEU 71 Cb 0.56 -2.85 -0.06 0.00 -1.62 0.00 0.00 43.42 39.44 1jns n LEU 71 CO 0.51 0.57 0.11 -0.70 -1.22 0.00 0.00 177.39 176.67 1jns s GLU 72 N -6.41 0.45 0.17 3.23 -6.30 -1.06 -5.00 118.70 103.79 1jns s GLU 72 Ca 0.61 1.11 -0.30 0.00 -2.50 0.00 0.00 54.97 53.89 1jns s GLU 72 Cb -0.28 0.45 -0.09 0.00 0.00 0.00 0.00 34.13 34.21 1jns s GLU 72 CO 0.75 -0.34 1.35 -1.25 0.02 0.00 0.00 175.26 175.80 1jns s PRO 73 N 2.74 4.35 0.02 4.30 0.04 -1.26 -3.72 135.00 141.46 1jns s PRO 73 Ca 0.02 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1jns s PRO 73 Cb -0.13 -3.21 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 1jns s PRO 73 CO -0.16 -0.34 -0.03 0.99 0.04 0.00 0.00 177.00 177.50 1jns s THR 74 N 0.49 0.12 -3.61 1.26 2.01 -0.57 -4.99 115.64 110.35 1jns s THR 74 Ca 0.60 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1jns s THR 74 Cb -0.37 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 71.91 1jns s THR 74 CO 0.36 -0.35 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 1jns n GLY 75 N 2.01 0.91 3.74 4.40 0.00 -1.26 -0.55 105.19 114.43 1jns n GLY 75 Ca -0.21 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.36 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 -1.17 4.57 0.25 1.61 0.04 -1.26 -4.97 135.00 134.06 1jns s PRO 76 Ca 0.00 1.77 -0.02 0.00 0.04 0.00 0.00 61.00 62.79 1jns s PRO 76 Cb 0.00 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1jns s PRO 76 CO 0.00 0.04 0.46 -1.17 0.04 0.00 0.00 177.00 176.37 1jns s LEU 77 N -0.43 4.15 -0.21 -3.56 2.96 0.18 -4.78 118.68 116.99 1jns s LEU 77 Ca 0.50 0.52 -0.29 0.00 -0.22 0.00 0.00 54.13 54.64 1jns s LEU 77 Cb -0.31 -3.31 0.00 0.00 0.50 0.00 0.00 46.19 43.07 1jns s LEU 77 CO 0.36 -0.12 1.14 -2.28 -1.32 0.00 0.00 176.35 174.13 1jns s HIS 78 N -1.99 3.11 0.20 5.38 5.65 -1.26 -1.39 115.29 124.99 1jns s HIS 78 Ca 0.41 1.25 0.02 0.00 0.25 0.00 0.00 55.06 56.98 1jns s HIS 78 Cb -0.11 -3.40 -0.05 0.00 -1.18 0.00 0.00 32.58 27.84 1jns s HIS 78 CO 0.30 -1.04 0.02 -0.08 -0.65 0.00 0.00 174.74 173.29 1jns s THR 79 N 3.38 0.71 0.26 0.89 -1.32 -0.31 -4.74 115.64 114.51 1jns s THR 79 Ca 0.49 -1.99 -0.05 0.00 -1.21 0.00 0.00 61.69 58.93 1jns s THR 79 Cb -0.18 -2.25 0.26 0.00 -1.51 0.00 0.00 72.50 68.83 1jns s THR 79 CO 0.10 -0.37 1.94 -0.61 -2.21 0.00 0.00 174.62 173.48 1jns h GLN 80 N 2.60 1.27 0.00 7.08 4.15 -2.02 -1.27 115.11 126.93 1jns h GLN 80 Ca -0.37 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 58.97 1jns h GLN 80 Cb 1.22 -0.29 0.00 0.00 0.21 0.00 0.00 27.48 28.62 1jns h GLN 80 CO 0.63 0.84 0.00 1.19 -1.93 0.00 0.00 178.83 179.56 1jns n PHE 81 N -4.39 0.26 0.00 3.99 3.72 -1.26 -4.97 117.46 114.82 1jns n PHE 81 Ca 0.11 0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.63 1jns n PHE 81 Cb 0.02 -0.68 0.00 0.00 -0.94 0.00 0.00 39.48 37.88 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 -0.47 0.30 3.56 1.37 0.00 -0.48 -4.83 105.19 104.64 1jns n GLY 82 Ca 0.02 -1.50 -0.37 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.40 3.19 -0.23 1.61 2.02 -0.56 -1.16 117.35 119.81 1jns s TYR 83 Ca 0.00 -0.06 -0.08 0.00 -0.37 0.00 0.00 57.07 56.57 1jns s TYR 83 Cb 0.00 -2.27 -0.03 0.00 -0.40 0.00 0.00 41.96 39.25 1jns s TYR 83 CO 0.00 -0.15 0.08 -1.01 -1.57 0.00 0.00 175.55 172.90 1jns s HIS 84 N 1.41 3.13 -0.27 2.71 3.76 -0.48 -1.30 115.29 124.25 1jns s HIS 84 Ca 0.06 -0.24 -0.09 0.00 -0.15 0.00 0.00 55.06 54.64 1jns s HIS 84 Cb -0.15 -2.21 -0.03 0.00 1.11 0.00 0.00 32.58 31.30 1jns s HIS 84 CO 0.06 -0.21 0.13 -1.50 -0.85 0.00 0.00 174.74 172.37 1jns s ILE 85 N 1.30 4.74 -0.13 0.60 2.07 -0.91 0.47 121.20 129.34 1jns s ILE 85 Ca 0.05 -0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.21 1jns s ILE 85 Cb -0.15 -3.27 -0.01 0.00 0.13 0.00 0.00 42.46 39.16 1jns s ILE 85 CO 0.04 0.26 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.55 1jns s ILE 86 N 1.67 2.94 -0.21 2.00 1.01 0.28 -2.19 121.20 126.70 1jns s ILE 86 Ca 0.06 -0.70 -0.13 0.00 0.00 0.00 0.00 60.65 59.88 1jns s ILE 86 Cb -0.16 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 1jns s ILE 86 CO 0.07 0.53 0.28 -0.75 0.00 0.00 0.00 174.94 175.07 1jns s LYS 87 N 0.34 4.15 -0.22 2.79 2.20 -0.30 -1.51 119.74 127.19 1jns s LYS 87 Ca -0.12 -0.01 -0.06 0.00 -0.36 0.00 0.00 55.97 55.42 1jns s LYS 87 Cb -0.16 -3.52 -0.03 0.00 -1.51 0.00 0.00 37.83 32.62 1jns s LYS 87 CO 0.06 0.05 0.02 0.08 -0.36 0.00 0.00 175.35 175.21 1jns s VAL 88 N 1.06 4.09 -0.16 4.02 1.01 -1.24 -2.19 120.40 126.99 1jns s VAL 88 Ca 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 1jns s VAL 88 Cb -0.14 -2.87 0.05 0.00 0.00 0.00 0.00 36.38 33.42 1jns s VAL 88 CO 0.06 0.40 0.02 -0.76 0.00 0.00 0.00 175.10 174.82 1jns s LEU 89 N 1.19 1.06 0.00 3.92 1.43 0.42 -0.27 118.68 126.42 1jns s LEU 89 Ca 0.04 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 1jns s LEU 89 Cb -0.14 -0.58 0.00 0.00 0.03 0.00 0.00 46.19 45.49 1jns s LEU 89 CO 0.02 -0.27 0.00 -1.22 0.23 0.00 0.00 176.35 175.11 1jns n TYR 90 N 5.06 0.00 -4.97 0.29 4.01 -1.26 -1.10 117.16 119.19 1jns n TYR 90 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1jns n TYR 90 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 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 0.00 0.00 -0.72 0.63 -1.26 -4.70 116.66 110.61 1jns n ARG 91 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1jns n ARG 91 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1jns n ARG 91 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41