#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3s s ASP 2 N 0.00 2.95 -0.13 1.61 -1.08 -1.26 -5.02 116.67 113.75 1j3s s ASP 2 Ca 0.00 -1.44 -0.27 0.00 -0.52 0.00 0.00 52.55 50.32 1j3s s ASP 2 Cb 0.00 -0.03 -0.24 0.00 -1.46 0.00 0.00 42.92 41.19 1j3s s ASP 2 CO 0.00 -0.63 0.79 0.58 0.52 0.00 0.00 175.17 176.42 1j3s h VAL 3 N 1.92 1.67 -0.51 1.11 2.07 -2.01 -1.06 116.25 119.43 1j3s h VAL 3 Ca -0.41 -2.15 -0.02 0.00 0.82 0.00 0.00 66.70 64.94 1j3s h VAL 3 Cb 1.25 3.10 -0.02 0.00 -1.52 0.00 0.00 31.29 34.10 1j3s h VAL 3 CO 0.71 0.55 0.25 -0.33 0.02 0.00 0.00 177.57 178.77 1j3s h GLU 4 N -0.95 0.74 -0.08 1.57 3.07 -2.00 -1.87 114.58 115.06 1j3s h GLU 4 Ca -0.00 -0.11 -0.14 0.00 -0.50 0.00 0.00 59.36 58.61 1j3s h GLU 4 Cb 0.90 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.66 1j3s h GLU 4 CO 0.00 0.61 -0.58 0.87 -1.40 0.00 0.00 179.01 178.51 1j3s h LYS 5 N 0.68 0.24 0.56 2.33 1.57 -1.99 -3.00 116.57 116.96 1j3s h LYS 5 Ca 0.18 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1j3s h LYS 5 Cb 0.11 0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.45 1j3s h LYS 5 CO -0.02 0.75 -0.27 0.78 -0.57 0.00 0.00 179.45 180.12 1j3s h GLY 6 N 1.43 -0.78 1.14 3.86 0.00 -0.78 -1.71 103.07 106.23 1j3s h GLY 6 Ca -0.00 0.29 0.10 0.00 0.00 0.00 0.00 47.33 47.72 1j3s h GLY 6 CO 0.09 -0.28 0.34 1.70 0.00 0.00 0.00 176.54 178.38 1j3s h LYS 7 N -0.92 0.00 -0.08 4.80 3.64 -1.40 0.21 116.57 122.82 1j3s h LYS 7 Ca -0.08 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.11 1j3s h LYS 7 Cb 0.63 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1j3s h LYS 7 CO 0.13 0.00 -0.77 0.87 -2.27 0.00 0.00 179.45 177.41 1j3s h LYS 8 N 0.00 0.49 0.80 1.90 1.57 -1.28 -1.35 116.57 118.70 1j3s h LYS 8 Ca 0.16 -0.42 -0.04 0.00 -1.87 0.00 0.00 60.65 58.49 1j3s h LYS 8 Cb 0.83 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 1j3s h LYS 8 CO -0.00 1.05 -0.48 0.82 -0.57 0.00 0.00 179.45 180.27 1j3s h ILE 9 N 0.33 0.04 -0.89 1.86 1.08 0.30 -0.73 117.51 119.51 1j3s h ILE 9 Ca -0.04 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.46 1j3s h ILE 9 Cb 1.36 0.04 -0.05 0.00 -3.07 0.00 0.00 36.82 35.10 1j3s h ILE 9 CO 0.14 0.00 0.57 0.15 -0.69 0.00 0.00 178.15 178.32 1j3s h PHE 10 N -1.20 1.07 -0.62 1.37 3.04 -1.57 0.96 116.94 120.00 1j3s h PHE 10 Ca -0.11 0.03 0.16 0.00 3.98 0.00 0.00 57.97 62.03 1j3s h PHE 10 Cb 0.95 -0.36 -0.03 0.00 2.56 0.00 0.00 35.95 39.08 1j3s h PHE 10 CO -0.09 0.62 0.43 0.97 -2.02 0.00 0.00 178.31 178.22 1j3s h ILE 11 N 1.11 0.73 -0.14 1.41 2.10 -0.82 0.37 117.51 122.27 1j3s h ILE 11 Ca 0.35 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 66.26 1j3s h ILE 11 Cb 0.01 0.63 0.00 0.00 -1.09 0.00 0.00 36.82 36.37 1j3s h ILE 11 CO -0.12 0.02 0.00 0.80 -1.08 0.00 0.00 178.15 177.77 1j3s n MET 12 N -4.39 2.11 0.01 2.19 1.56 0.02 -4.35 117.12 114.27 1j3s n MET 12 Ca 0.12 -1.55 -0.02 0.00 -0.27 0.00 0.00 57.70 55.97 1j3s n MET 12 Cb 0.62 -1.14 -0.01 0.00 2.15 0.00 0.00 33.22 34.85 1j3s n MET 12 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1j3s n LYS 13 N 0.14 0.11 -0.56 2.12 3.00 0.31 -4.88 118.16 118.40 1j3s n LYS 13 Ca 0.06 0.04 0.06 0.00 -0.00 0.00 0.00 58.31 58.47 1j3s n LYS 13 Cb 0.30 -0.64 0.11 0.00 0.00 0.00 0.00 35.03 34.80 1j3s n LYS 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1j3s n SER 15 N -0.72 1.34 -0.11 0.00 2.88 0.12 -1.76 113.62 115.37 1j3s n SER 15 Ca 0.12 -1.57 -0.19 0.00 -1.33 0.00 0.00 58.87 55.91 1j3s n SER 15 Cb 0.76 -0.05 -0.06 0.00 -0.75 0.00 0.00 64.21 64.10 1j3s n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j3s n GLN 16 N 0.08 0.54 0.12 -1.46 1.13 -1.26 -4.37 117.38 112.17 1j3s n GLN 16 Ca 0.17 0.23 0.01 0.00 -1.94 0.00 0.00 57.00 55.48 1j3s n GLN 16 Cb 0.30 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.22 1j3s n GLN 16 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j3s s HIS 18 N -2.94 3.22 -1.18 0.00 3.76 -0.72 0.11 115.29 117.54 1j3s s HIS 18 Ca 0.03 -3.15 -0.20 0.00 -0.15 0.00 0.00 55.06 51.58 1j3s s HIS 18 Cb 0.08 -2.85 0.04 0.00 1.11 0.00 0.00 32.58 30.97 1j3s s HIS 18 CO 0.76 -0.74 1.68 0.95 -0.85 0.00 0.00 174.74 176.54 1j3s s THR 19 N -0.35 3.97 -0.03 1.30 -4.23 -1.26 -4.18 115.64 110.86 1j3s s THR 19 Ca 0.17 -1.38 -0.00 0.00 -1.18 0.00 0.00 61.69 59.30 1j3s s THR 19 Cb -0.24 -5.03 0.02 0.00 1.34 0.00 0.00 72.50 68.59 1j3s s THR 19 CO -0.01 -1.84 1.69 1.33 -0.54 0.00 0.00 174.62 175.25 1j3s n VAL 20 N 6.77 1.76 -1.93 2.29 0.24 -1.26 -3.23 118.33 122.97 1j3s n VAL 20 Ca 0.43 -0.44 -0.01 0.00 -2.04 0.00 0.00 64.34 62.28 1j3s n VAL 20 Cb 0.48 -1.32 -0.01 0.00 -1.47 0.00 0.00 33.84 31.52 1j3s n VAL 20 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1j3s n GLU 21 N 1.08 0.00 0.00 7.34 1.02 -1.26 -4.90 120.64 123.92 1j3s n GLU 21 Ca 0.03 -0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 1j3s n GLU 21 Cb 0.52 0.09 0.00 0.00 -0.02 0.00 0.00 31.44 32.03 1j3s n GLU 21 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1j3s n LYS 22 N 0.00 0.00 0.00 3.49 3.00 -1.20 -5.05 118.16 118.40 1j3s n LYS 22 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1j3s n LYS 22 Cb 0.49 -0.33 0.00 0.00 0.00 0.00 0.00 35.03 35.19 1j3s n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1j3s n GLY 23 N 1.86 -0.97 2.45 3.14 0.00 -1.26 -4.92 105.19 105.50 1j3s n GLY 23 Ca 0.00 0.38 -0.12 0.00 0.00 0.00 0.00 46.02 46.28 1j3s n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j3s n GLY 24 N 0.00 1.28 3.76 -0.02 0.00 -1.26 -4.97 105.19 103.98 1j3s n GLY 24 Ca 0.00 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 1j3s n GLY 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j3s s LYS 25 N -2.93 4.03 -0.31 1.61 2.20 -1.26 -4.86 119.74 118.22 1j3s s LYS 25 Ca 0.00 -0.17 0.01 0.00 -0.36 0.00 0.00 55.97 55.45 1j3s s LYS 25 Cb 0.00 -3.37 0.10 0.00 -1.51 0.00 0.00 37.83 33.05 1j3s s LYS 25 CO 0.00 0.40 0.07 -3.38 -0.36 0.00 0.00 175.35 172.08 1j3s s HIS 26 N 0.05 2.51 -0.01 4.03 -3.43 -1.26 -4.49 115.29 112.68 1j3s s HIS 26 Ca 0.10 -2.19 -0.12 0.00 -0.80 0.00 0.00 55.06 52.06 1j3s s HIS 26 Cb -0.11 -2.13 -0.07 0.00 -1.43 0.00 0.00 32.58 28.83 1j3s s HIS 26 CO -0.00 -0.89 0.68 0.87 -2.00 0.00 0.00 174.74 173.40 1j3s h LYS 27 N 7.90 -0.41 0.00 -0.38 1.79 -1.90 -3.45 116.57 120.12 1j3s h LYS 27 Ca -0.10 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1j3s h LYS 27 Cb 1.02 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1j3s h LYS 27 CO 0.48 -0.28 0.00 2.41 -1.08 0.00 0.00 179.45 180.99 1j3s n THR 28 N -4.03 0.00 -1.41 -0.16 -1.04 -1.26 -5.01 114.28 101.37 1j3s n THR 28 Ca -0.05 0.12 -0.31 0.00 -2.04 0.00 0.00 64.05 61.77 1j3s n THR 28 Cb 0.17 -1.04 0.07 0.00 -1.82 0.00 0.00 70.33 67.71 1j3s n THR 28 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1j3s s GLY 29 N -1.81 1.73 0.38 3.41 0.00 0.30 -4.98 107.32 106.36 1j3s s GLY 29 Ca 0.00 0.25 -0.26 0.00 0.00 0.00 0.00 44.72 44.71 1j3s s GLY 29 CO 0.00 0.59 1.22 2.56 0.00 0.00 0.00 173.10 177.47 1j3s s PRO 30 N -4.83 4.11 -0.56 2.90 0.04 -1.24 -4.50 135.00 130.91 1j3s s PRO 30 Ca 0.61 1.97 -0.26 0.00 0.04 0.00 0.00 61.00 63.36 1j3s s PRO 30 Cb -0.17 -2.78 -0.09 0.00 0.04 0.00 0.00 34.50 31.50 1j3s s PRO 30 CO 0.54 -0.31 2.43 -1.71 0.04 0.00 0.00 177.00 177.98 1j3s n ASN 31 N 0.26 2.12 -4.05 6.66 4.05 -1.26 -4.62 115.26 118.42 1j3s n ASN 31 Ca 0.03 -0.63 -0.42 0.00 0.45 0.00 0.00 54.58 54.01 1j3s n ASN 31 Cb 0.45 -1.56 0.00 0.00 1.23 0.00 0.00 39.78 39.90 1j3s n ASN 31 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1j3s n LEU 32 N 16.06 6.16 -0.06 1.20 4.32 -1.26 -4.61 117.00 138.81 1j3s n LEU 32 Ca 0.40 -4.15 -0.06 0.00 -0.02 0.00 0.00 56.01 52.18 1j3s n LEU 32 Cb 0.50 -1.66 -0.02 0.00 -1.62 0.00 0.00 43.42 40.62 1j3s n LEU 32 CO 0.70 0.83 -0.43 1.57 -1.22 0.00 0.00 177.39 178.84 1j3s n HIS 33 N 6.51 0.15 -1.32 -1.77 -0.00 -1.26 -4.53 115.22 113.00 1j3s n HIS 33 Ca 0.49 0.07 -0.06 0.00 -0.00 0.00 0.00 57.72 58.21 1j3s n HIS 33 Cb 0.41 -0.41 0.21 0.00 -0.00 0.00 0.00 29.99 30.20 1j3s n HIS 33 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1j3s n GLY 34 N 1.51 4.62 0.44 1.57 0.00 -1.26 -4.65 105.19 107.42 1j3s n GLY 34 Ca -0.09 -1.16 0.24 0.00 0.00 0.00 0.00 46.02 45.02 1j3s n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1j3s h LEU 35 N 1.23 0.00 -9.53 0.99 5.85 -1.86 -3.36 115.31 108.63 1j3s h LEU 35 Ca 0.28 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.47 1j3s h LEU 35 Cb 1.92 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.96 1j3s h LEU 35 CO 0.53 0.00 0.60 -0.36 -0.34 0.00 0.00 178.44 178.87 1j3s s PHE 36 N -4.64 3.39 -0.36 1.25 0.40 -1.26 -2.49 117.98 114.28 1j3s s PHE 36 Ca -0.04 1.25 0.00 0.00 -0.60 0.00 0.00 56.93 57.53 1j3s s PHE 36 Cb 0.16 -3.48 0.00 0.00 0.51 0.00 0.00 43.02 40.21 1j3s s PHE 36 CO 0.57 -1.51 0.00 0.41 0.70 0.00 0.00 175.22 175.39 1j3s n GLY 37 N 3.09 0.62 2.88 4.36 0.00 -1.20 -5.00 105.19 109.94 1j3s n GLY 37 Ca 0.09 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 1j3s n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1j3s s ARG 38 N -1.63 0.88 0.00 1.61 3.52 -1.04 -5.04 118.95 117.26 1j3s s ARG 38 Ca 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.51 1j3s s ARG 38 Cb 0.00 -0.95 0.00 0.00 -1.56 0.00 0.00 34.95 32.44 1j3s s ARG 38 CO 0.00 -0.13 0.00 1.63 -0.81 0.00 0.00 175.30 175.99 1j3s n LYS 39 N 4.32 -1.18 -2.76 5.12 5.02 -1.26 -4.01 118.16 123.41 1j3s n LYS 39 Ca -0.20 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 55.89 1j3s n LYS 39 Cb 0.51 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.60 1j3s n LYS 39 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1j3s n THR 40 N -2.45 0.00 -2.71 -0.18 -2.24 -1.26 -4.84 114.28 100.60 1j3s n THR 40 Ca 0.00 -1.75 -0.04 0.00 -2.27 0.00 0.00 64.05 60.00 1j3s n THR 40 Cb 0.00 -0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 67.54 1j3s n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j3s n GLY 41 N -1.98 -4.20 0.00 3.38 0.00 -1.26 -4.82 105.19 96.30 1j3s n GLY 41 Ca 0.16 1.26 0.00 0.00 0.00 0.00 0.00 46.02 47.44 1j3s n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j3s n GLN 42 N 1.62 0.00 -2.07 1.61 0.00 -1.26 -5.09 117.38 112.18 1j3s n GLN 42 Ca -0.27 0.00 -0.41 0.00 0.00 0.00 0.00 57.00 56.32 1j3s n GLN 42 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.66 1j3s n GLN 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1j3s s ALA 43 N -0.98 3.54 0.09 2.61 0.00 -1.26 -4.92 121.76 120.83 1j3s s ALA 43 Ca 0.00 1.29 -0.03 0.00 0.00 0.00 0.00 51.96 53.22 1j3s s ALA 43 Cb 0.00 -3.51 -0.25 0.00 0.00 0.00 0.00 23.12 19.37 1j3s s ALA 43 CO 0.00 -0.69 1.18 -1.00 0.00 0.00 0.00 175.76 175.25 1j3s h PRO 44 N 3.86 0.25 -1.86 0.00 0.13 -1.99 -3.33 132.00 129.06 1j3s h PRO 44 Ca -0.48 -0.40 -0.74 0.00 -0.87 0.00 0.00 66.00 63.50 1j3s h PRO 44 Cb 1.22 0.15 -0.29 0.00 0.13 0.00 0.00 31.00 32.21 1j3s h PRO 44 CO 0.69 1.18 0.88 0.41 -0.23 0.00 0.00 178.00 180.92 1j3s n GLY 45 N 1.43 5.60 3.64 1.56 0.00 -1.26 -4.89 105.19 111.27 1j3s n GLY 45 Ca -0.07 -2.49 -0.06 0.00 0.00 0.00 0.00 46.02 43.40 1j3s n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1j3s s TYR 46 N -4.01 -1.10 -0.77 1.61 6.14 -1.25 -4.96 117.35 113.01 1j3s s TYR 46 Ca 0.53 2.15 -0.06 0.00 0.64 0.00 0.00 57.07 60.33 1j3s s TYR 46 Cb 0.44 0.66 -0.03 0.00 0.42 0.00 0.00 41.96 43.46 1j3s s TYR 46 CO -0.36 -0.55 2.91 0.43 0.64 0.00 0.00 175.55 178.62 1j3s n SER 47 N 4.49 6.97 -2.47 4.32 7.64 -1.26 -4.79 113.62 128.53 1j3s n SER 47 Ca -0.19 -2.91 -0.23 0.00 1.01 0.00 0.00 58.87 56.55 1j3s n SER 47 Cb 0.57 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 1j3s n SER 47 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1j3s n TYR 48 N 1.92 -1.59 -1.56 1.43 4.02 -1.26 -4.42 117.16 115.70 1j3s n TYR 48 Ca 0.56 0.28 -0.15 0.00 -0.01 0.00 0.00 57.90 58.58 1j3s n TYR 48 Cb 0.51 -0.99 -0.08 0.00 -0.02 0.00 0.00 39.34 38.76 1j3s n TYR 48 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1j3s n THR 49 N -0.82 -0.01 -0.47 -0.72 -2.24 -1.26 -4.71 114.28 104.06 1j3s n THR 49 Ca 0.05 -0.52 0.38 0.00 -2.27 0.00 0.00 64.05 61.69 1j3s n THR 49 Cb 0.27 -1.94 0.63 0.00 -2.10 0.00 0.00 70.33 67.19 1j3s n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j3s n ALA 50 N 17.82 1.32 0.18 6.98 0.00 -1.26 -0.27 120.51 145.27 1j3s n ALA 50 Ca 0.48 0.73 -0.10 0.00 0.00 0.00 0.00 53.44 54.55 1j3s n ALA 50 Cb 0.42 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 18.86 1j3s n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j3s h ALA 51 N 1.30 -1.01 -0.83 0.00 0.00 -1.93 -1.27 119.26 115.53 1j3s h ALA 51 Ca 0.79 -0.11 0.34 0.00 0.00 0.00 0.00 54.91 55.94 1j3s h ALA 51 Cb 2.70 0.45 -0.15 0.00 0.00 0.00 0.00 17.79 20.80 1j3s h ALA 51 CO -0.33 -1.01 0.43 0.09 0.00 0.00 0.00 179.25 178.43 1j3s n ASN 52 N -3.93 0.27 -0.04 0.00 4.13 0.63 0.13 115.26 116.45 1j3s n ASN 52 Ca -0.07 1.37 -0.13 0.00 1.68 0.00 0.00 54.58 57.43 1j3s n ASN 52 Cb 0.25 -0.66 -0.08 0.00 -1.54 0.00 0.00 39.78 37.75 1j3s n ASN 52 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1j3s h LYS 53 N 0.00 0.27 0.00 3.52 3.64 -1.36 -2.87 116.57 119.77 1j3s h LYS 53 Ca 0.69 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 1j3s h LYS 53 Cb 1.82 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.65 1j3s h LYS 53 CO -0.64 0.69 0.00 -0.97 -2.27 0.00 0.00 179.45 176.26 1j3s h ASN 54 N -0.13 0.00 0.23 4.20 -0.73 0.22 -1.75 115.58 117.61 1j3s h ASN 54 Ca 0.02 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.19 1j3s h ASN 54 Cb 0.64 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.23 1j3s h ASN 54 CO 0.03 0.00 0.00 1.17 -0.37 0.00 0.00 177.43 178.26 1j3s n LYS 55 N -2.63 0.09 -3.91 6.67 3.00 -0.16 -4.83 118.16 116.39 1j3s n LYS 55 Ca -0.01 0.24 -0.25 0.00 -0.00 0.00 0.00 58.31 58.29 1j3s n LYS 55 Cb 0.15 -1.50 -0.01 0.00 0.00 0.00 0.00 35.03 33.67 1j3s n LYS 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1j3s n GLY 56 N -0.48 -0.25 3.45 3.14 0.00 -0.66 -4.95 105.19 105.43 1j3s n GLY 56 Ca 0.04 0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1j3s n GLY 56 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1j3s s ILE 57 N -3.86 2.73 -0.64 -0.61 -1.16 -1.26 -5.08 121.20 111.32 1j3s s ILE 57 Ca 0.05 -1.21 -0.14 0.00 -0.51 0.00 0.00 60.65 58.84 1j3s s ILE 57 Cb -0.03 -2.14 0.16 0.00 0.61 0.00 0.00 42.46 41.06 1j3s s ILE 57 CO 0.87 0.34 0.59 -0.51 -2.81 0.00 0.00 174.94 173.41 1j3s s ILE 58 N -0.92 5.23 -0.98 2.00 1.10 -1.26 -4.46 121.20 121.92 1j3s s ILE 58 Ca 0.14 -1.93 -0.21 0.00 -0.51 0.00 0.00 60.65 58.14 1j3s s ILE 58 Cb -0.10 -4.31 -0.27 0.00 0.15 0.00 0.00 42.46 37.93 1j3s s ILE 58 CO 0.05 -0.92 2.45 0.79 -2.11 0.00 0.00 174.94 175.20 1j3s n TRP 59 N 4.69 0.36 -2.39 3.50 5.03 -1.26 -4.78 117.44 122.60 1j3s n TRP 59 Ca -0.03 0.20 0.00 0.00 3.03 0.00 0.00 57.50 60.71 1j3s n TRP 59 Cb 0.43 -1.60 0.00 0.00 -1.03 0.00 0.00 31.31 29.11 1j3s n TRP 59 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1j3s n GLY 60 N 6.07 6.01 0.00 6.99 0.00 -1.26 -3.27 105.19 119.74 1j3s n GLY 60 Ca 0.66 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1j3s n GLY 60 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j3s n GLU 61 N 0.00 0.00 -0.15 1.61 1.02 -1.26 -2.57 120.64 119.29 1j3s n GLU 61 Ca 0.00 0.46 -0.03 0.00 -0.02 0.00 0.00 57.16 57.57 1j3s n GLU 61 Cb 0.00 -1.06 0.18 0.00 -0.02 0.00 0.00 31.44 30.55 1j3s n GLU 61 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1j3s h ASP 62 N 0.00 0.82 -0.11 1.62 1.82 -1.98 -1.15 116.42 117.43 1j3s h ASP 62 Ca 0.00 -0.13 0.01 0.00 -0.39 0.00 0.00 57.03 56.51 1j3s h ASP 62 Cb 0.00 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 39.79 1j3s h ASP 62 CO 0.00 0.78 0.05 0.71 -1.61 0.00 0.00 179.24 179.16 1j3s h THR 63 N 0.85 0.99 -0.10 2.25 1.35 -1.87 -1.96 112.91 114.41 1j3s h THR 63 Ca 0.19 -0.04 -0.09 0.00 -0.55 0.00 0.00 66.41 65.93 1j3s h THR 63 Cb 0.26 0.87 -0.01 0.00 -1.73 0.00 0.00 68.15 67.54 1j3s h THR 63 CO -0.01 0.02 -0.33 0.25 -0.25 0.00 0.00 175.52 175.20 1j3s h LEU 64 N 0.11 0.20 -1.82 3.87 6.46 -1.28 -2.41 115.31 120.45 1j3s h LEU 64 Ca 0.05 -0.07 0.08 0.00 -0.12 0.00 0.00 57.88 57.81 1j3s h LEU 64 Cb 0.01 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 39.87 1j3s h LEU 64 CO -0.04 0.53 0.28 -0.03 -0.62 0.00 0.00 178.44 178.56 1j3s h MET 65 N 0.18 0.21 0.05 1.25 4.05 -0.45 0.16 114.93 120.38 1j3s h MET 65 Ca 0.02 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1j3s h MET 65 Cb 0.68 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.43 1j3s h MET 65 CO 0.05 0.14 -0.03 1.49 0.23 0.00 0.00 176.91 178.80 1j3s h GLU 66 N 0.22 -0.07 0.00 0.39 4.81 -1.05 -0.84 114.58 118.04 1j3s h GLU 66 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1j3s h GLU 66 Cb 0.45 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1j3s h GLU 66 CO -0.03 0.41 0.10 -0.92 -0.73 0.00 0.00 179.01 177.83 1j3s h TYR 67 N -0.97 0.00 0.04 0.92 3.20 -1.33 -1.36 116.97 117.47 1j3s h TYR 67 Ca -0.01 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.52 1j3s h TYR 67 Cb 0.51 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.73 1j3s h TYR 67 CO 0.12 0.00 -2.02 -0.11 -1.64 0.00 0.00 178.16 174.51 1j3s n LEU 68 N -2.97 1.56 0.27 2.82 7.94 0.02 -1.91 117.00 124.73 1j3s n LEU 68 Ca -0.03 0.20 0.16 0.00 -1.11 0.00 0.00 56.01 55.24 1j3s n LEU 68 Cb 0.16 -0.32 0.91 0.00 0.53 0.00 0.00 43.42 44.70 1j3s n LEU 68 CO 0.17 0.63 1.14 -0.08 -1.11 0.00 0.00 177.39 178.14 1j3s h GLU 69 N 0.02 0.00 -0.47 1.96 4.81 0.00 -3.37 114.58 117.53 1j3s h GLU 69 Ca -0.41 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 58.94 1j3s h GLU 69 Cb 2.05 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 31.24 1j3s h GLU 69 CO 0.05 0.00 -0.16 1.21 -0.73 0.00 0.00 179.01 179.38 1j3s s ASN 70 N -5.93 -0.75 0.08 1.04 3.84 -1.02 -5.04 114.94 107.16 1j3s s ASN 70 Ca -0.05 -0.11 -0.14 0.00 0.21 0.00 0.00 52.86 52.77 1j3s s ASN 70 Cb 0.15 1.25 -0.19 0.00 -0.55 0.00 0.00 41.25 41.90 1j3s s ASN 70 CO 0.53 -0.11 1.24 1.55 -2.79 0.00 0.00 177.10 177.51 1j3s h PRO 71 N 6.81 0.72 0.00 0.43 0.13 -1.56 -0.87 132.00 137.66 1j3s h PRO 71 Ca -0.04 -0.67 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 1j3s h PRO 71 Cb 1.20 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1j3s h PRO 71 CO -0.02 1.26 0.00 1.17 -0.23 0.00 0.00 178.00 180.18 1j3s n LYS 72 N -3.95 0.08 -0.09 0.86 3.00 -1.26 -1.97 118.16 114.83 1j3s n LYS 72 Ca -0.09 0.22 -0.11 0.00 -0.00 0.00 0.00 58.31 58.33 1j3s n LYS 72 Cb 0.79 -1.50 -0.11 0.00 0.00 0.00 0.00 35.03 34.20 1j3s n LYS 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1j3s n LYS 73 N -1.41 0.98 0.00 1.64 4.81 -1.08 -4.69 118.16 118.41 1j3s n LYS 73 Ca 0.05 0.05 -0.00 0.00 -0.87 0.00 0.00 58.31 57.54 1j3s n LYS 73 Cb 0.13 -1.41 -0.00 0.00 0.02 0.00 0.00 35.03 33.77 1j3s n LYS 73 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 1j3s h TYR 74 N 0.00 -0.00 -3.42 5.64 3.20 -0.86 -3.43 116.97 118.10 1j3s h TYR 74 Ca -0.45 -0.00 -0.60 0.00 3.14 0.00 0.00 58.73 60.82 1j3s h TYR 74 Cb 1.87 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 40.04 1j3s h TYR 74 CO 0.01 -0.00 0.43 0.42 -1.64 0.00 0.00 178.16 177.39 1j3s s ILE 75 N -1.35 4.77 -1.23 1.81 -1.09 -0.83 -4.96 121.20 118.32 1j3s s ILE 75 Ca -0.00 1.23 -0.20 0.00 -2.23 0.00 0.00 60.65 59.45 1j3s s ILE 75 Cb 0.00 -4.17 0.02 0.00 -1.58 0.00 0.00 42.46 36.73 1j3s s ILE 75 CO 0.00 -0.27 1.78 -2.16 -1.23 0.00 0.00 174.94 173.06 1j3s s PRO 76 N 3.01 3.48 0.00 2.79 0.04 -1.26 -2.93 135.00 140.13 1j3s s PRO 76 Ca 0.33 -1.62 0.00 0.00 0.04 0.00 0.00 61.00 59.75 1j3s s PRO 76 Cb -0.14 -5.42 0.00 0.00 0.04 0.00 0.00 34.50 28.98 1j3s s PRO 76 CO 0.13 -2.78 0.00 0.41 0.04 0.00 0.00 177.00 174.80 1j3s n GLY 77 N 5.70 -0.34 3.42 0.56 0.00 -1.26 -4.97 105.19 108.31 1j3s n GLY 77 Ca 0.46 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.16 1j3s n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1j3s n THR 78 N 0.00 0.00 -1.42 2.61 5.66 -1.15 -4.93 114.28 115.06 1j3s n THR 78 Ca 0.00 -0.22 0.07 0.00 -3.05 0.00 0.00 64.05 60.85 1j3s n THR 78 Cb 0.00 -0.71 0.10 0.00 -1.55 0.00 0.00 70.33 68.17 1j3s n THR 78 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1j3s n LYS 79 N -2.52 0.91 -1.58 1.09 -0.00 -1.26 -4.94 118.16 109.87 1j3s n LYS 79 Ca 0.05 -2.19 -0.44 0.00 -0.00 0.00 0.00 58.31 55.73 1j3s n LYS 79 Cb 0.56 -1.19 -0.04 0.00 -0.00 0.00 0.00 35.03 34.37 1j3s n LYS 79 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1j3s n MET 80 N -0.96 1.80 -1.10 -1.58 2.81 -1.26 -4.80 117.12 112.03 1j3s n MET 80 Ca 0.12 0.47 -0.20 0.00 -1.81 0.00 0.00 57.70 56.27 1j3s n MET 80 Cb 0.68 -3.15 0.00 0.00 -0.71 0.00 0.00 33.22 30.04 1j3s n MET 80 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1j3s n ILE 81 N 7.71 2.99 -0.08 2.02 -0.00 -1.26 -4.15 119.36 126.59 1j3s n ILE 81 Ca 0.32 -2.13 -0.16 0.00 -0.00 0.00 0.00 62.75 60.78 1j3s n ILE 81 Cb 0.42 -1.43 -0.07 0.00 -0.00 0.00 0.00 39.64 38.57 1j3s n ILE 81 CO 0.00 0.00 0.00 0.33 -0.00 0.00 0.00 176.55 176.88 1j3s n PHE 82 N 0.52 0.00 -0.31 1.39 7.35 -1.26 -4.99 117.46 120.16 1j3s n PHE 82 Ca 0.37 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.94 1j3s n PHE 82 Cb 0.58 -0.62 -0.03 0.00 0.35 0.00 0.00 39.48 39.76 1j3s n PHE 82 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 1j3s n VAL 83 N -3.45 0.00 -1.69 -2.13 0.24 -1.26 -4.64 118.33 105.40 1j3s n VAL 83 Ca -0.32 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 61.96 1j3s n VAL 83 Cb 0.77 -0.12 -0.03 0.00 -1.47 0.00 0.00 33.84 32.99 1j3s n VAL 83 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j3s n GLY 84 N 1.69 -0.11 3.40 7.63 0.00 -1.26 -5.15 105.19 111.40 1j3s n GLY 84 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 1j3s n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j3s s ILE 85 N 0.00 0.05 -0.16 -0.61 1.01 -1.26 -5.07 121.20 115.16 1j3s s ILE 85 Ca 0.00 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 59.85 1j3s s ILE 85 Cb 0.00 -1.49 0.20 0.00 0.01 0.00 0.00 42.46 41.18 1j3s s ILE 85 CO 0.00 -0.25 1.12 2.29 0.00 0.00 0.00 174.94 178.10 1j3s n LYS 86 N -0.26 0.65 -4.10 2.79 2.85 -1.26 -5.05 118.16 113.78 1j3s n LYS 86 Ca -0.12 -0.89 -0.31 0.00 -1.05 0.00 0.00 58.31 55.95 1j3s n LYS 86 Cb 0.63 0.40 -0.07 0.00 -0.65 0.00 0.00 35.03 35.34 1j3s n LYS 86 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1j3s s LYS 87 N 0.06 2.80 0.14 -1.58 2.20 -1.26 -5.01 119.74 117.08 1j3s s LYS 87 Ca 0.04 -0.70 -0.03 0.00 -0.36 0.00 0.00 55.97 54.93 1j3s s LYS 87 Cb 0.21 -2.68 -0.07 0.00 -1.51 0.00 0.00 37.83 33.78 1j3s s LYS 87 CO -0.06 0.57 1.32 0.87 -0.36 0.00 0.00 175.35 177.69 1j3s h LYS 88 N 3.54 0.36 0.00 4.03 1.57 -2.00 -2.94 116.57 121.14 1j3s h LYS 88 Ca -0.47 -0.39 -0.06 0.00 -1.87 0.00 0.00 60.65 57.86 1j3s h LYS 88 Cb 1.17 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 1j3s h LYS 88 CO 0.63 1.07 -0.27 0.93 -0.57 0.00 0.00 179.45 181.24 1j3s h GLU 89 N 0.21 0.00 0.19 3.15 3.07 -1.99 -1.76 114.58 117.45 1j3s h GLU 89 Ca -0.07 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1j3s h GLU 89 Cb 1.56 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.47 1j3s h GLU 89 CO 0.16 0.27 -0.09 0.93 -1.40 0.00 0.00 179.01 178.88 1j3s h GLU 90 N 0.00 -0.24 -0.95 2.33 3.07 -1.96 -2.78 114.58 114.05 1j3s h GLU 90 Ca -0.00 0.02 0.12 0.00 -0.50 0.00 0.00 59.36 58.99 1j3s h GLU 90 Cb 0.50 0.06 -0.08 0.00 -0.84 0.00 0.00 28.75 28.38 1j3s h GLU 90 CO 0.04 0.02 0.58 0.07 -1.40 0.00 0.00 179.01 178.31 1j3s h ARG 91 N -1.01 0.88 -0.83 2.33 -0.00 -1.51 -0.59 114.38 113.64 1j3s h ARG 91 Ca -0.03 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.98 59.89 1j3s h ARG 91 Cb 0.38 -0.20 -0.04 0.00 -0.00 0.00 0.00 29.97 30.11 1j3s h ARG 91 CO 0.04 0.58 0.50 0.00 -0.00 0.00 0.00 179.97 181.09 1j3s h ALA 92 N 1.53 1.06 -0.20 0.08 0.00 -1.40 -2.27 119.26 118.07 1j3s h ALA 92 Ca 0.48 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.17 1j3s h ALA 92 Cb 0.50 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1j3s h ALA 92 CO -0.28 0.53 -0.36 -0.44 0.00 0.00 0.00 179.25 178.70 1j3s h ASP 93 N 1.15 0.45 0.15 0.00 5.19 -0.85 -1.35 116.42 121.15 1j3s h ASP 93 Ca 0.30 -0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1j3s h ASP 93 Cb -0.03 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.35 1j3s h ASP 93 CO -0.05 0.78 -0.07 -0.07 -3.12 0.00 0.00 179.24 176.70 1j3s h LEU 94 N 0.36 -0.17 -0.77 1.55 3.38 -0.70 -2.42 115.31 116.54 1j3s h LEU 94 Ca 0.04 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1j3s h LEU 94 Cb 0.81 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1j3s h LEU 94 CO 0.07 -0.08 -0.21 0.40 0.09 0.00 0.00 178.44 178.71 1j3s h ILE 95 N -0.24 1.27 -0.32 1.22 1.08 -1.44 -1.84 117.51 117.25 1j3s h ILE 95 Ca -0.02 -1.28 0.07 0.00 -0.39 0.00 0.00 64.86 63.24 1j3s h ILE 95 Cb 0.19 1.21 -0.07 0.00 -3.07 0.00 0.00 36.82 35.07 1j3s h ILE 95 CO 0.03 0.43 -0.16 0.00 -0.69 0.00 0.00 178.15 177.76 1j3s h ALA 96 N 1.15 0.09 -0.10 1.87 0.00 -0.93 0.31 119.26 121.63 1j3s h ALA 96 Ca 0.09 0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 1j3s h ALA 96 Cb 0.69 0.38 0.01 0.00 0.00 0.00 0.00 17.79 18.87 1j3s h ALA 96 CO 0.05 -0.55 -0.52 -0.92 0.00 0.00 0.00 179.25 177.31 1j3s h TYR 97 N -0.11 0.73 0.00 0.00 3.20 -1.37 -2.82 116.97 116.60 1j3s h TYR 97 Ca 0.16 -0.32 0.00 0.00 3.14 0.00 0.00 58.73 61.71 1j3s h TYR 97 Cb 0.36 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.52 1j3s h TYR 97 CO -0.36 1.10 0.00 1.28 -1.64 0.00 0.00 178.16 178.54 1j3s n LEU 98 N -4.21 0.00 -0.07 2.82 7.99 -0.70 -1.58 117.00 121.25 1j3s n LEU 98 Ca -0.08 0.36 -0.16 0.00 -0.01 0.00 0.00 56.01 56.13 1j3s n LEU 98 Cb 0.61 -0.36 -0.14 0.00 -0.11 0.00 0.00 43.42 43.42 1j3s n LEU 98 CO 0.47 -0.23 -1.04 1.17 -1.51 0.00 0.00 177.39 176.24 1j3s n LYS 99 N -1.36 0.68 0.06 3.23 4.81 0.10 -3.56 118.16 122.13 1j3s n LYS 99 Ca 0.04 0.17 -0.10 0.00 -0.87 0.00 0.00 58.31 57.55 1j3s n LYS 99 Cb 0.10 -1.61 -0.13 0.00 0.02 0.00 0.00 35.03 33.41 1j3s n LYS 99 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1j3s h LYS 100 N 0.02 0.08 0.35 1.64 3.64 -1.22 -0.18 116.57 120.90 1j3s h LYS 100 Ca -0.49 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 58.73 1j3s h LYS 100 Cb 2.03 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.91 1j3s h LYS 100 CO 0.01 1.02 -0.17 0.00 -2.27 0.00 0.00 179.45 178.04 1j3s h ALA 101 N 0.86 -0.47 -0.70 5.00 0.00 -1.49 -3.31 119.26 119.15 1j3s h ALA 101 Ca -0.08 -0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.49 1j3s h ALA 101 Cb 1.86 0.18 -0.14 0.00 0.00 0.00 0.00 17.79 19.69 1j3s h ALA 101 CO 0.15 -0.44 0.27 -2.37 0.00 0.00 0.00 179.25 176.86 1j3s n THR 102 N -5.06 2.90 -2.73 0.00 5.66 -1.23 -4.55 114.28 109.26 1j3s n THR 102 Ca -0.06 -1.81 -0.09 0.00 -3.05 0.00 0.00 64.05 59.04 1j3s n THR 102 Cb 0.19 -0.36 0.09 0.00 -1.55 0.00 0.00 70.33 68.69 1j3s n THR 102 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1j3s n ASN 103 N -0.42 -2.34 -0.24 1.09 3.02 -0.09 -4.79 115.26 111.50 1j3s n ASN 103 Ca 0.42 -3.57 0.03 0.00 -0.03 0.00 0.00 54.58 51.43 1j3s n ASN 103 Cb 1.36 1.88 0.02 0.00 -0.61 0.00 0.00 39.78 42.44 1j3s n ASN 103 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85