#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 2.55 -0.11 1.61 2.15 -1.26 -5.06 116.67 116.55 1j3s s ASP 2 Ca 0.00 -1.75 -0.07 0.00 0.43 0.00 0.00 52.55 51.16 1j3s s ASP 2 Cb 0.00 0.60 -0.06 0.00 -0.30 0.00 0.00 42.92 43.16 1j3s s ASP 2 CO 0.00 -1.02 0.14 0.58 -0.17 0.00 0.00 175.17 174.69 1j3s h VAL 3 N 1.84 0.37 0.00 1.11 2.07 -2.00 -3.26 116.25 116.37 1j3s h VAL 3 Ca -0.31 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 65.90 1j3s h VAL 3 Cb 1.26 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1j3s h VAL 3 CO 0.48 0.13 -0.09 -0.08 0.02 0.00 0.00 177.57 178.02 1j3s h GLU 4 N -1.00 0.00 0.66 1.57 4.81 -1.98 -1.74 114.58 116.90 1j3s h GLU 4 Ca -0.01 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1j3s h GLU 4 Cb 0.28 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 1j3s h GLU 4 CO -0.01 0.09 -0.39 0.87 -0.73 0.00 0.00 179.01 178.85 1j3s h LYS 5 N 0.00 -0.94 -0.51 1.92 1.57 -1.98 -1.23 116.57 115.40 1j3s h LYS 5 Ca -0.00 0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1j3s h LYS 5 Cb 0.20 0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1j3s h LYS 5 CO 0.01 -0.63 0.06 0.78 -0.57 0.00 0.00 179.45 179.10 1j3s h GLY 6 N -0.98 0.89 1.75 3.86 0.00 -1.58 -2.03 103.07 104.98 1j3s h GLY 6 Ca -0.09 -0.56 0.03 0.00 0.00 0.00 0.00 47.33 46.71 1j3s h GLY 6 CO 0.10 0.52 0.10 1.70 0.00 0.00 0.00 176.54 178.96 1j3s h LYS 7 N 0.78 0.00 0.22 4.80 3.64 -1.14 -1.93 116.57 122.94 1j3s h LYS 7 Ca 0.16 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.21 1j3s h LYS 7 Cb 0.39 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.24 1j3s h LYS 7 CO 0.01 0.00 -1.53 0.87 -2.27 0.00 0.00 179.45 176.53 1j3s h LYS 8 N 0.00 0.47 0.84 1.90 1.57 -0.48 -2.63 116.57 118.24 1j3s h LYS 8 Ca 0.05 -0.79 -0.04 0.00 -1.87 0.00 0.00 60.65 57.99 1j3s h LYS 8 Cb 0.24 0.30 0.01 0.00 0.08 0.00 0.00 32.23 32.86 1j3s h LYS 8 CO -0.00 1.38 -0.41 0.82 -0.57 0.00 0.00 179.45 180.67 1j3s h ILE 9 N 0.08 0.11 -0.78 1.86 1.08 -1.12 0.46 117.51 119.19 1j3s h ILE 9 Ca -0.28 -0.08 -0.02 0.00 -0.39 0.00 0.00 64.86 64.08 1j3s h ILE 9 Cb 2.10 0.13 -0.04 0.00 -3.07 0.00 0.00 36.82 35.94 1j3s h ILE 9 CO 0.23 0.00 0.39 0.15 -0.69 0.00 0.00 178.15 178.23 1j3s h PHE 10 N -1.21 1.11 0.00 1.37 3.04 -1.61 1.13 116.94 120.78 1j3s h PHE 10 Ca -0.12 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.79 1j3s h PHE 10 Cb 0.88 -0.35 0.00 0.00 2.56 0.00 0.00 35.95 39.04 1j3s h PHE 10 CO -0.01 0.80 0.00 -0.89 -2.02 0.00 0.00 178.31 176.19 1j3s n ILE 11 N -4.39 1.05 -1.63 1.41 2.08 -0.99 -1.29 119.36 115.60 1j3s n ILE 11 Ca 0.07 0.30 0.03 0.00 0.56 0.00 0.00 62.75 63.72 1j3s n ILE 11 Cb 0.12 -1.16 0.04 0.00 -0.75 0.00 0.00 39.64 37.90 1j3s n ILE 11 CO 0.00 0.00 0.00 0.80 0.56 0.00 0.00 176.55 177.91 1j3s n MET 12 N -1.81 0.46 0.00 0.38 1.56 0.14 -4.49 117.12 113.36 1j3s n MET 12 Ca 0.02 -1.49 0.00 0.00 -0.27 0.00 0.00 57.70 55.96 1j3s n MET 12 Cb 0.16 -0.83 0.00 0.00 2.15 0.00 0.00 33.22 34.71 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 -0.47 0.00 -0.83 2.12 3.00 0.38 -4.87 118.16 117.48 1j3s n LYS 13 Ca 0.05 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.40 1j3s n LYS 13 Cb 0.67 -0.54 0.06 0.00 0.00 0.00 0.00 35.03 35.21 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 -0.19 1.17 -0.13 0.00 2.88 -0.41 -1.50 113.62 115.43 1j3s n SER 15 Ca 0.07 -2.01 -0.22 0.00 -1.33 0.00 0.00 58.87 55.38 1j3s n SER 15 Cb 0.86 -0.16 -0.11 0.00 -0.75 0.00 0.00 64.21 64.05 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 0.11 0.62 -0.02 -1.46 6.02 -1.26 -4.49 117.38 116.91 1j3s n GLN 16 Ca 0.07 0.19 0.07 0.00 -0.01 0.00 0.00 57.00 57.31 1j3s n GLN 16 Cb 0.19 -1.50 -0.16 0.00 1.02 0.00 0.00 30.24 29.79 1j3s n GLN 16 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1j3s n HIS 18 N -2.37 3.54 -2.53 0.00 8.25 -0.56 0.15 115.22 121.69 1j3s n HIS 18 Ca -0.10 -4.25 -0.41 0.00 -0.26 0.00 0.00 57.72 52.70 1j3s n HIS 18 Cb 0.69 -0.76 -0.03 0.00 1.12 0.00 0.00 29.99 31.01 1j3s n HIS 18 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1j3s s THR 19 N -1.53 3.71 -1.57 1.59 -4.23 -1.26 -4.42 115.64 107.93 1j3s s THR 19 Ca 0.27 0.41 0.04 0.00 -1.18 0.00 0.00 61.69 61.22 1j3s s THR 19 Cb -0.04 -4.87 0.14 0.00 1.34 0.00 0.00 72.50 69.07 1j3s s THR 19 CO -0.15 -1.81 0.97 1.33 -0.54 0.00 0.00 174.62 174.42 1j3s n VAL 20 N 6.42 0.32 -0.94 2.29 0.24 -1.26 -3.29 118.33 122.10 1j3s n VAL 20 Ca 0.04 -0.22 0.07 0.00 -2.04 0.00 0.00 64.34 62.19 1j3s n VAL 20 Cb 0.49 -0.11 0.10 0.00 -1.47 0.00 0.00 33.84 32.85 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 -0.01 1.47 -2.45 7.34 1.02 -1.26 -4.74 120.64 122.01 1j3s n GLU 21 Ca 0.05 -2.22 -0.25 0.00 -0.02 0.00 0.00 57.16 54.72 1j3s n GLU 21 Cb 0.24 -1.31 0.14 0.00 -0.02 0.00 0.00 31.44 30.49 1j3s n GLU 21 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1j3s s LYS 22 N -2.25 1.27 -0.73 3.49 2.47 -1.21 -4.95 119.74 117.83 1j3s s LYS 22 Ca 0.23 -1.06 -0.06 0.00 -1.56 0.00 0.00 55.97 53.53 1j3s s LYS 22 Cb 0.20 -2.21 -0.02 0.00 -1.46 0.00 0.00 37.83 34.35 1j3s s LYS 22 CO 0.02 -1.79 2.90 0.41 0.16 0.00 0.00 175.35 177.04 1j3s n GLY 23 N -3.12 4.25 2.54 5.54 0.00 -1.26 -4.55 105.19 108.60 1j3s n GLY 23 Ca 0.16 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 1.83 0.44 3.96 -0.02 0.00 -1.26 -5.00 105.19 105.13 1j3s n GLY 24 Ca 0.55 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.52 3.46 -0.18 1.61 2.20 -1.26 -4.91 119.74 120.14 1j3s s LYS 25 Ca 0.00 -0.59 -0.05 0.00 -0.36 0.00 0.00 55.97 54.97 1j3s s LYS 25 Cb 0.00 -2.81 0.07 0.00 -1.51 0.00 0.00 37.83 33.57 1j3s s LYS 25 CO 0.00 0.34 0.10 -3.38 -0.36 0.00 0.00 175.35 172.05 1j3s s HIS 26 N -2.08 0.17 0.00 4.03 -3.43 -1.26 -4.50 115.29 108.22 1j3s s HIS 26 Ca 0.36 -0.32 0.00 0.00 -0.80 0.00 0.00 55.06 54.30 1j3s s HIS 26 Cb -0.09 -0.68 0.00 0.00 -1.43 0.00 0.00 32.58 30.37 1j3s s HIS 26 CO 0.31 -0.54 0.15 1.63 -2.00 0.00 0.00 174.74 174.29 1j3s n LYS 27 N 5.28 0.00 0.00 -0.38 4.01 -1.26 -4.85 118.16 120.96 1j3s n LYS 27 Ca -0.07 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.73 1j3s n LYS 27 Cb 0.49 -0.57 0.00 0.00 -0.51 0.00 0.00 35.03 34.43 1j3s n LYS 27 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1j3s n THR 28 N -0.20 0.00 -0.91 -0.18 -1.04 -1.26 -4.93 114.28 105.76 1j3s n THR 28 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 1j3s n THR 28 Cb 0.00 -0.06 0.10 0.00 -1.82 0.00 0.00 70.33 68.54 1j3s n THR 28 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1j3s n GLY 29 N 3.66 -2.36 3.77 3.41 0.00 0.39 -4.90 105.19 109.16 1j3s n GLY 29 Ca 0.00 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 1j3s n GLY 29 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j3s s PRO 30 N -3.20 3.11 -0.44 1.61 0.04 -1.25 -4.47 135.00 130.40 1j3s s PRO 30 Ca 0.56 1.54 -0.27 0.00 0.04 0.00 0.00 61.00 62.87 1j3s s PRO 30 Cb -0.23 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 1j3s s PRO 30 CO 0.68 -1.03 2.23 1.21 0.04 0.00 0.00 177.00 180.13 1j3s s ASN 31 N -2.06 4.91 -0.81 6.66 3.04 -1.26 -4.53 114.94 120.89 1j3s s ASN 31 Ca 0.71 1.15 -0.07 0.00 0.04 0.00 0.00 52.86 54.68 1j3s s ASN 31 Cb -0.23 -2.51 -0.13 0.00 -1.54 0.00 0.00 41.25 36.84 1j3s s ASN 31 CO 0.33 -2.51 3.17 0.18 -3.04 0.00 0.00 177.10 175.23 1j3s n LEU 32 N 14.04 7.02 -2.52 3.21 4.32 -1.26 -4.59 117.00 137.22 1j3s n LEU 32 Ca 0.31 -3.90 -0.36 0.00 -0.02 0.00 0.00 56.01 52.05 1j3s n LEU 32 Cb 0.52 -1.45 0.06 0.00 -1.62 0.00 0.00 43.42 40.93 1j3s n LEU 32 CO 0.70 1.89 1.49 1.57 -1.22 0.00 0.00 177.39 181.81 1j3s n HIS 33 N 2.68 3.07 0.00 -1.77 -0.00 -1.26 -4.50 115.22 113.44 1j3s n HIS 33 Ca 0.59 -2.75 0.00 0.00 0.46 0.00 0.00 57.72 56.03 1j3s n HIS 33 Cb 0.55 -1.35 0.00 0.00 -0.12 0.00 0.00 29.99 29.07 1j3s n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1j3s n GLY 34 N -0.72 0.40 0.24 1.57 0.00 -1.26 -4.96 105.19 100.46 1j3s n GLY 34 Ca 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.60 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 0.00 0.41 -9.96 0.99 6.46 -1.87 -3.41 115.31 107.93 1j3s h LEU 35 Ca 0.00 -0.11 -0.54 0.00 -0.12 0.00 0.00 57.88 57.11 1j3s h LEU 35 Cb 0.00 -0.11 0.11 0.00 -0.73 0.00 0.00 40.66 39.93 1j3s h LEU 35 CO 0.00 0.60 0.77 -0.36 -0.62 0.00 0.00 178.44 178.83 1j3s s PHE 36 N -4.64 2.53 -1.22 1.25 0.08 -1.26 -1.56 117.98 113.16 1j3s s PHE 36 Ca -0.06 1.17 0.00 0.00 0.12 0.00 0.00 56.93 58.16 1j3s s PHE 36 Cb 0.15 -4.03 0.00 0.00 -0.57 0.00 0.00 43.02 38.57 1j3s s PHE 36 CO 0.77 -3.06 0.00 0.41 -0.10 0.00 0.00 175.22 173.24 1j3s n GLY 37 N 0.46 1.27 2.69 4.36 0.00 -1.25 -4.97 105.19 107.76 1j3s n GLY 37 Ca 0.02 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.98 0.66 1.20 1.61 3.52 -0.60 -5.08 118.95 117.29 1j3s s ARG 38 Ca 0.00 -1.06 -0.13 0.00 -0.13 0.00 0.00 55.73 54.41 1j3s s ARG 38 Cb 0.00 -1.85 0.30 0.00 -1.56 0.00 0.00 34.95 31.84 1j3s s ARG 38 CO 0.00 -1.01 0.98 0.36 -0.81 0.00 0.00 175.30 174.82 1j3s n LYS 39 N 4.79 -2.65 -1.15 5.12 2.85 -1.26 -4.51 118.16 121.35 1j3s n LYS 39 Ca -0.01 -0.75 -0.29 0.00 -1.05 0.00 0.00 58.31 56.21 1j3s n LYS 39 Cb 0.41 -2.14 0.20 0.00 -0.65 0.00 0.00 35.03 32.85 1j3s n LYS 39 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1j3s s THR 40 N -2.38 1.85 -0.26 0.58 2.01 -1.26 -4.59 115.64 111.59 1j3s s THR 40 Ca 0.69 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.67 1j3s s THR 40 Cb -0.25 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 69.75 1j3s s THR 40 CO 0.66 0.00 0.26 0.61 -0.69 0.00 0.00 174.62 175.46 1j3s n GLY 41 N -1.10 -0.74 1.78 4.40 0.00 -1.26 -4.77 105.19 103.50 1j3s n GLY 41 Ca 0.08 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1j3s n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1j3s n GLN 42 N -1.06 0.00 -2.31 1.61 1.13 -1.26 -5.07 117.38 110.43 1j3s n GLN 42 Ca 0.01 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.67 1j3s n GLN 42 Cb 0.41 -0.11 -0.03 0.00 0.11 0.00 0.00 30.24 30.62 1j3s n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j3s s ALA 43 N -2.00 3.46 0.00 -1.58 0.00 -1.26 -4.99 121.76 115.39 1j3s s ALA 43 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1j3s s ALA 43 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1j3s s ALA 43 CO 0.00 -0.40 0.01 -0.35 0.00 0.00 0.00 175.76 175.02 1j3s n PRO 44 N 1.62 0.00 -0.50 0.00 -0.04 -1.26 -4.05 135.00 130.76 1j3s n PRO 44 Ca 0.02 0.11 0.41 0.00 -0.04 0.00 0.00 63.50 64.00 1j3s n PRO 44 Cb 0.44 -0.62 0.71 0.00 -0.04 0.00 0.00 33.50 33.98 1j3s n PRO 44 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1j3s h GLY 45 N 0.00 0.81 -4.96 0.55 0.00 -2.02 -3.35 103.07 94.09 1j3s h GLY 45 Ca 0.00 -0.07 -0.57 0.00 0.00 0.00 0.00 47.33 46.69 1j3s h GLY 45 CO 0.00 -0.25 0.73 -0.47 0.00 0.00 0.00 176.54 176.55 1j3s s TYR 46 N -5.15 3.39 -1.43 5.60 6.14 -1.26 -4.92 117.35 119.72 1j3s s TYR 46 Ca -0.07 1.50 -0.10 0.00 0.64 0.00 0.00 57.07 59.05 1j3s s TYR 46 Cb 0.28 -3.25 0.06 0.00 0.42 0.00 0.00 41.96 39.47 1j3s s TYR 46 CO 0.84 -0.42 2.36 0.45 0.64 0.00 0.00 175.55 179.42 1j3s n SER 47 N 5.90 6.30 -3.58 4.32 2.88 -1.26 -4.72 113.62 123.47 1j3s n SER 47 Ca 0.11 -2.91 -0.33 0.00 -1.33 0.00 0.00 58.87 54.41 1j3s n SER 47 Cb 0.47 -1.52 0.03 0.00 -0.75 0.00 0.00 64.21 62.44 1j3s n SER 47 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1j3s n TYR 48 N 3.95 -3.97 -1.98 0.66 4.02 -1.26 -4.58 117.16 113.99 1j3s n TYR 48 Ca 0.58 0.10 -0.25 0.00 -0.01 0.00 0.00 57.90 58.31 1j3s n TYR 48 Cb 0.31 -1.27 -0.06 0.00 -0.02 0.00 0.00 39.34 38.31 1j3s n TYR 48 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1j3s s THR 49 N -1.79 3.40 0.43 -0.72 -4.23 -1.26 -4.76 115.64 106.71 1j3s s THR 49 Ca 0.35 -0.38 0.35 0.00 -1.18 0.00 0.00 61.69 60.83 1j3s s THR 49 Cb -0.11 -3.95 0.53 0.00 1.34 0.00 0.00 72.50 70.31 1j3s s THR 49 CO 0.71 -0.82 1.40 0.00 -0.54 0.00 0.00 174.62 175.36 1j3s n ALA 50 N 14.69 1.40 0.06 3.99 0.00 -1.26 -0.39 120.51 139.00 1j3s n ALA 50 Ca 0.41 0.71 -0.08 0.00 0.00 0.00 0.00 53.44 54.48 1j3s n ALA 50 Cb 0.46 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 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 1.23 -0.79 -0.99 0.00 0.00 -1.91 -1.13 119.26 115.69 1j3s h ALA 51 Ca 0.81 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.80 1j3s h ALA 51 Cb 2.85 0.67 -0.15 0.00 0.00 0.00 0.00 17.79 21.15 1j3s h ALA 51 CO -0.27 -0.85 -0.42 0.09 0.00 0.00 0.00 179.25 177.80 1j3s n ASN 52 N -3.95 -0.71 -0.30 0.00 3.02 0.48 0.63 115.26 114.44 1j3s n ASN 52 Ca -0.04 1.73 0.06 0.00 -0.03 0.00 0.00 54.58 56.29 1j3s n ASN 52 Cb 0.21 -0.37 0.21 0.00 -0.61 0.00 0.00 39.78 39.22 1j3s n ASN 52 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1j3s h LYS 53 N 0.00 0.69 0.00 3.52 3.11 -1.46 0.14 116.57 122.57 1j3s h LYS 53 Ca 0.31 -0.04 -0.05 0.00 -2.81 0.00 0.00 60.65 58.06 1j3s h LYS 53 Cb 0.56 -0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.63 1j3s h LYS 53 CO -0.97 0.45 -0.25 -0.97 -2.81 0.00 0.00 179.45 174.91 1j3s h ASN 54 N 0.71 0.00 0.01 4.20 -0.73 0.15 -1.47 115.58 118.45 1j3s h ASN 54 Ca 0.44 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.61 1j3s h ASN 54 Cb 0.54 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.13 1j3s h ASN 54 CO -0.31 0.25 0.00 1.17 -0.37 0.00 0.00 177.43 178.16 1j3s n LYS 55 N -3.86 0.66 -2.12 6.67 3.00 0.49 -4.81 118.16 118.19 1j3s n LYS 55 Ca -0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.24 1j3s n LYS 55 Cb 0.34 -1.50 -0.01 0.00 0.00 0.00 0.00 35.03 33.86 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 0.35 -0.21 3.69 3.14 0.00 -0.55 -4.84 105.19 106.76 1j3s n GLY 56 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.08 4.81 -0.59 -0.61 -1.16 -1.25 -4.99 121.20 115.33 1j3s s ILE 57 Ca 0.00 1.95 -0.19 0.00 -0.51 0.00 0.00 60.65 61.90 1j3s s ILE 57 Cb 0.00 -4.27 0.10 0.00 0.61 0.00 0.00 42.46 38.89 1j3s s ILE 57 CO 0.00 0.02 0.72 -0.51 -2.81 0.00 0.00 174.94 172.36 1j3s s ILE 58 N 1.97 4.77 -0.47 2.00 1.10 -1.26 -4.37 121.20 124.93 1j3s s ILE 58 Ca 0.46 -0.89 -0.37 0.00 -0.51 0.00 0.00 60.65 59.34 1j3s s ILE 58 Cb -0.18 -4.50 -0.17 0.00 0.15 0.00 0.00 42.46 37.77 1j3s s ILE 58 CO 0.17 -1.13 1.91 0.79 -2.11 0.00 0.00 174.94 174.56 1j3s n TRP 59 N 6.45 0.96 -2.51 3.50 5.03 -1.26 -4.85 117.44 124.77 1j3s n TRP 59 Ca -0.09 0.64 0.00 0.00 3.03 0.00 0.00 57.50 61.08 1j3s n TRP 59 Cb 0.43 -2.00 0.00 0.00 -1.03 0.00 0.00 31.31 28.71 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 6.44 5.85 0.05 6.99 0.00 -1.26 -3.79 105.19 119.47 1j3s n GLY 60 Ca 0.49 -1.58 -0.01 0.00 0.00 0.00 0.00 46.02 44.92 1j3s n GLY 60 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1j3s h GLU 61 N 0.00 0.00 -0.19 1.61 4.81 -1.98 -2.74 114.58 116.10 1j3s h GLU 61 Ca 0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1j3s h GLU 61 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1j3s h GLU 61 CO 0.00 0.00 -0.48 0.38 -0.73 0.00 0.00 179.01 178.18 1j3s h ASP 62 N -0.94 0.53 -0.10 1.04 2.03 -1.98 -0.91 116.42 116.09 1j3s h ASP 62 Ca 0.00 -0.26 -0.01 0.00 -0.73 0.00 0.00 57.03 56.03 1j3s h ASP 62 Cb 0.09 -0.15 -0.00 0.00 -0.83 0.00 0.00 39.33 38.44 1j3s h ASP 62 CO 0.00 0.92 0.01 0.71 -1.03 0.00 0.00 179.24 179.86 1j3s h THR 63 N 0.39 1.22 -0.10 1.15 1.35 -1.90 -2.50 112.91 112.51 1j3s h THR 63 Ca 0.02 -0.69 -0.11 0.00 -0.55 0.00 0.00 66.41 65.07 1j3s h THR 63 Cb 0.98 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 1j3s h THR 63 CO 0.09 0.20 -0.45 0.25 -0.25 0.00 0.00 175.52 175.36 1j3s h LEU 64 N -0.08 0.26 -1.59 3.87 6.46 -1.47 -2.22 115.31 120.55 1j3s h LEU 64 Ca 0.03 -0.12 0.01 0.00 -0.12 0.00 0.00 57.88 57.68 1j3s h LEU 64 Cb 0.30 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.13 1j3s h LEU 64 CO 0.00 0.68 0.28 -0.03 -0.62 0.00 0.00 178.44 178.75 1j3s h MET 65 N 0.20 0.55 0.04 1.25 4.05 -0.98 -0.38 114.93 119.66 1j3s h MET 65 Ca 0.01 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1j3s h MET 65 Cb 0.87 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.55 1j3s h MET 65 CO 0.07 0.36 -0.02 1.49 0.23 0.00 0.00 176.91 179.04 1j3s h GLU 66 N 0.56 -0.05 0.00 0.39 4.81 -1.08 -2.13 114.58 117.09 1j3s h GLU 66 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1j3s h GLU 66 Cb -0.05 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1j3s h GLU 66 CO -0.03 0.55 0.10 -0.92 -0.73 0.00 0.00 179.01 177.98 1j3s h TYR 67 N -0.94 0.00 0.10 0.92 3.20 -1.21 -1.45 116.97 117.59 1j3s h TYR 67 Ca -0.01 0.00 -0.37 0.00 3.14 0.00 0.00 58.73 61.50 1j3s h TYR 67 Cb 0.63 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.87 1j3s h TYR 67 CO 0.16 0.00 -2.08 -0.11 -1.64 0.00 0.00 178.16 174.48 1j3s n LEU 68 N -2.44 2.69 0.31 2.82 7.94 -0.17 -1.54 117.00 126.61 1j3s n LEU 68 Ca -0.02 0.14 0.19 0.00 -1.11 0.00 0.00 56.01 55.22 1j3s n LEU 68 Cb 0.14 -1.07 1.04 0.00 0.53 0.00 0.00 43.42 44.05 1j3s n LEU 68 CO 0.11 0.86 1.16 -0.08 -1.11 0.00 0.00 177.39 178.33 1j3s h GLU 69 N 0.02 0.00 -0.37 1.96 4.22 -0.57 -3.38 114.58 116.46 1j3s h GLU 69 Ca -0.46 0.00 0.15 0.00 0.08 0.00 0.00 59.36 59.13 1j3s h GLU 69 Cb 1.99 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 31.05 1j3s h GLU 69 CO 0.04 0.00 -0.12 0.54 -2.18 0.00 0.00 179.01 177.29 1j3s s ASN 70 N -5.51 -0.59 0.10 1.04 2.20 -0.95 -4.70 114.94 106.54 1j3s s ASN 70 Ca -0.05 -0.08 -0.13 0.00 -0.94 0.00 0.00 52.86 51.67 1j3s s ASN 70 Cb 0.14 1.12 -0.16 0.00 -2.00 0.00 0.00 41.25 40.35 1j3s s ASN 70 CO 0.46 -0.09 1.30 1.55 -2.94 0.00 0.00 177.10 177.39 1j3s h PRO 71 N 6.70 0.79 0.00 3.55 0.13 -1.45 -2.76 132.00 138.96 1j3s h PRO 71 Ca -0.05 -0.64 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 1j3s h PRO 71 Cb 1.20 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1j3s h PRO 71 CO -0.05 1.25 0.00 1.17 -0.23 0.00 0.00 178.00 180.14 1j3s n LYS 72 N -3.96 0.03 -0.08 0.86 3.00 -1.26 -1.72 118.16 115.02 1j3s n LYS 72 Ca -0.07 0.25 -0.13 0.00 -0.00 0.00 0.00 58.31 58.35 1j3s n LYS 72 Cb 0.73 -1.50 -0.07 0.00 0.00 0.00 0.00 35.03 34.19 1j3s n LYS 72 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1j3s h LYS 73 N 0.00 0.00 0.33 1.64 1.63 -1.87 -3.38 116.57 114.93 1j3s h LYS 73 Ca 0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1j3s h LYS 73 Cb 0.22 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1j3s h LYS 73 CO 0.00 0.56 -0.16 -0.92 -3.45 0.00 0.00 179.45 175.48 1j3s h TYR 74 N -1.00 -0.41 -3.36 1.91 5.03 -1.44 -3.40 116.97 114.29 1j3s h TYR 74 Ca -0.16 -0.01 -0.72 0.00 2.58 0.00 0.00 58.73 60.42 1j3s h TYR 74 Cb 0.88 0.14 -0.21 0.00 1.55 0.00 0.00 36.73 39.09 1j3s h TYR 74 CO -0.01 -0.26 -0.24 0.42 -1.32 0.00 0.00 178.16 176.75 1j3s s ILE 75 N -3.21 5.14 -1.28 1.81 -1.09 -0.70 -4.98 121.20 116.88 1j3s s ILE 75 Ca -0.07 -0.76 -0.18 0.00 -2.23 0.00 0.00 60.65 57.42 1j3s s ILE 75 Cb 0.01 -4.12 0.01 0.00 -1.58 0.00 0.00 42.46 36.78 1j3s s ILE 75 CO 0.20 -0.56 1.94 -0.81 -1.23 0.00 0.00 174.94 174.48 1j3s n PRO 76 N 5.47 2.68 0.00 2.79 -0.04 -1.26 -3.12 135.00 141.52 1j3s n PRO 76 Ca -0.10 -2.79 0.00 0.00 -0.04 0.00 0.00 63.50 60.57 1j3s n PRO 76 Cb 0.45 -3.40 0.00 0.00 -0.04 0.00 0.00 33.50 30.51 1j3s n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j3s n GLY 77 N 4.95 0.07 2.69 0.55 0.00 -1.26 -4.91 105.19 107.28 1j3s n GLY 77 Ca 0.49 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.52 2.61 5.66 -1.18 -4.84 114.28 116.01 1j3s n THR 78 Ca 0.00 -0.42 0.09 0.00 -3.05 0.00 0.00 64.05 60.66 1j3s n THR 78 Cb 0.00 0.00 0.28 0.00 -1.55 0.00 0.00 70.33 69.06 1j3s n THR 78 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1j3s n LYS 79 N 1.54 3.23 -4.23 1.09 0.00 -1.26 -4.90 118.16 113.63 1j3s n LYS 79 Ca 0.04 -2.62 -0.34 0.00 0.00 0.00 0.00 58.31 55.39 1j3s n LYS 79 Cb 0.42 -1.66 -0.15 0.00 0.00 0.00 0.00 35.03 33.64 1j3s n LYS 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1j3s s MET 80 N -1.62 3.29 -0.54 1.64 0.23 -1.26 -4.99 119.30 116.04 1j3s s MET 80 Ca 0.42 -0.69 -0.02 0.00 -1.03 0.00 0.00 55.69 54.36 1j3s s MET 80 Cb 0.26 -2.79 0.26 0.00 -1.53 0.00 0.00 34.83 31.04 1j3s s MET 80 CO 0.21 -0.07 2.21 -0.89 -2.03 0.00 0.00 175.02 174.45 1j3s n ILE 81 N 4.37 3.29 -1.74 3.16 5.41 -1.26 -4.70 119.36 127.87 1j3s n ILE 81 Ca -0.19 -2.77 -0.38 0.00 1.00 0.00 0.00 62.75 60.41 1j3s n ILE 81 Cb 0.51 -1.34 0.05 0.00 -0.71 0.00 0.00 39.64 38.16 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 -0.01 2.24 0.00 1.39 7.35 -1.26 -4.92 117.46 122.24 1j3s n PHE 82 Ca 0.48 0.43 0.02 0.00 -0.76 0.00 0.00 57.45 57.61 1j3s n PHE 82 Cb 0.54 -2.34 -0.11 0.00 0.35 0.00 0.00 39.48 37.91 1j3s n PHE 82 CO 0.00 0.00 0.00 1.55 -0.76 0.00 0.00 176.76 177.55 1j3s n VAL 83 N -1.28 0.91 0.00 -2.13 3.14 -1.26 -4.77 118.33 112.94 1j3s n VAL 83 Ca 0.12 -0.67 0.00 0.00 -2.96 0.00 0.00 64.34 60.83 1j3s n VAL 83 Cb 0.46 -0.48 0.00 0.00 -1.06 0.00 0.00 33.84 32.76 1j3s n VAL 83 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1j3s n GLY 84 N 1.42 0.03 3.62 7.55 0.00 -1.26 -4.82 105.19 111.73 1j3s n GLY 84 Ca -0.12 -2.28 -0.34 0.00 0.00 0.00 0.00 46.02 43.27 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 -0.10 4.52 -0.02 -0.61 1.09 -1.26 -5.00 121.20 119.82 1j3s s ILE 85 Ca 0.00 -0.14 -0.17 0.00 -1.10 0.00 0.00 60.65 59.24 1j3s s ILE 85 Cb 0.00 -3.00 -0.33 0.00 -1.06 0.00 0.00 42.46 38.07 1j3s s ILE 85 CO 0.00 0.50 0.87 0.11 -0.10 0.00 0.00 174.94 176.32 1j3s h LYS 86 N 6.33 0.43 -5.47 2.79 1.79 -2.00 -3.44 116.57 117.00 1j3s h LYS 86 Ca -0.39 -0.73 -0.60 0.00 -2.18 0.00 0.00 60.65 56.75 1j3s h LYS 86 Cb 1.18 0.27 -0.11 0.00 -1.58 0.00 0.00 32.23 31.99 1j3s h LYS 86 CO 0.65 1.35 -0.09 0.21 -1.08 0.00 0.00 179.45 180.49 1j3s s LYS 87 N -2.54 4.16 0.10 3.15 2.47 -1.26 -4.97 119.74 120.85 1j3s s LYS 87 Ca -0.13 0.33 -0.29 0.00 -1.56 0.00 0.00 55.97 54.33 1j3s s LYS 87 Cb 0.03 -3.57 -0.12 0.00 -1.46 0.00 0.00 37.83 32.72 1j3s s LYS 87 CO 0.88 -0.15 1.64 0.87 0.16 0.00 0.00 175.35 178.75 1j3s h LYS 88 N 7.53 -0.56 -0.60 4.03 1.79 -2.01 -0.06 116.57 126.68 1j3s h LYS 88 Ca -0.34 0.04 0.18 0.00 -2.18 0.00 0.00 60.65 58.35 1j3s h LYS 88 Cb 1.16 0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.91 1j3s h LYS 88 CO 0.73 -0.37 0.73 1.05 -1.08 0.00 0.00 179.45 180.50 1j3s h GLU 89 N -0.58 0.00 -0.04 3.15 4.11 -1.99 0.26 114.58 119.49 1j3s h GLU 89 Ca -0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.34 1j3s h GLU 89 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1j3s h GLU 89 CO -0.06 0.00 -0.30 1.49 0.07 0.00 0.00 179.01 180.21 1j3s h GLU 90 N 0.00 0.28 0.16 1.06 4.81 -1.41 -1.36 114.58 118.10 1j3s h GLU 90 Ca 0.29 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1j3s h GLU 90 Cb 1.74 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.16 1j3s h GLU 90 CO -0.00 0.90 -0.13 -0.09 -0.73 0.00 0.00 179.01 178.96 1j3s h ARG 91 N -0.27 -0.30 -0.75 1.92 2.43 -0.22 -0.57 114.38 116.62 1j3s h ARG 91 Ca -0.02 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1j3s h ARG 91 Cb 0.97 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.55 1j3s h ARG 91 CO 0.06 -0.20 0.49 0.00 -1.51 0.00 0.00 179.97 178.82 1j3s h ALA 92 N 0.51 1.62 -0.05 2.80 0.00 -1.50 0.45 119.26 123.09 1j3s h ALA 92 Ca -0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1j3s h ALA 92 Cb 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1j3s h ALA 92 CO -0.02 0.28 -0.16 -0.44 0.00 0.00 0.00 179.25 178.91 1j3s h ASP 93 N 0.85 0.08 0.45 0.00 5.19 -0.19 -0.92 116.42 121.88 1j3s h ASP 93 Ca 0.31 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.69 1j3s h ASP 93 Cb 0.16 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.65 1j3s h ASP 93 CO -0.10 0.24 -0.22 -0.07 -3.12 0.00 0.00 179.24 175.98 1j3s h LEU 94 N 0.08 -0.51 -1.56 1.55 3.38 0.61 -2.14 115.31 116.71 1j3s h LEU 94 Ca 0.02 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1j3s h LEU 94 Cb 0.33 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1j3s h LEU 94 CO 0.02 -0.20 -0.12 0.40 0.09 0.00 0.00 178.44 178.63 1j3s h ILE 95 N -0.84 1.14 -0.26 1.22 1.08 -1.38 -2.77 117.51 115.70 1j3s h ILE 95 Ca -0.06 -0.62 -0.00 0.00 -0.39 0.00 0.00 64.86 63.79 1j3s h ILE 95 Cb 0.56 1.21 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 1j3s h ILE 95 CO 0.10 0.19 0.16 0.00 -0.69 0.00 0.00 178.15 177.91 1j3s h ALA 96 N 1.75 0.33 -0.04 1.87 0.00 -0.94 0.18 119.26 122.42 1j3s h ALA 96 Ca 0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1j3s h ALA 96 Cb 0.30 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1j3s h ALA 96 CO 0.02 -0.17 0.01 -0.92 0.00 0.00 0.00 179.25 178.19 1j3s h TYR 97 N 0.33 0.07 0.00 0.00 3.20 -1.12 -2.21 116.97 117.25 1j3s h TYR 97 Ca 0.09 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1j3s h TYR 97 Cb 0.01 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.26 1j3s h TYR 97 CO -0.05 0.28 0.00 -0.07 -1.64 0.00 0.00 178.16 176.68 1j3s h LEU 98 N -0.16 0.00 0.01 2.82 -0.00 -1.42 -0.83 115.31 115.73 1j3s h LEU 98 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1j3s h LEU 98 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 1j3s h LEU 98 CO 0.00 0.00 -0.01 0.50 -0.00 0.00 0.00 178.44 178.93 1j3s h LYS 99 N 0.00 -0.02 0.00 1.13 3.11 -0.36 -1.96 116.57 118.47 1j3s h LYS 99 Ca 0.00 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.80 1j3s h LYS 99 Cb 0.26 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.49 1j3s h LYS 99 CO 0.00 0.78 -0.17 -0.22 -2.81 0.00 0.00 179.45 177.03 1j3s h LYS 100 N -0.90 0.00 0.02 1.90 3.64 -1.27 0.64 116.57 120.60 1j3s h LYS 100 Ca -0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1j3s h LYS 100 Cb 0.80 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1j3s h LYS 100 CO 0.00 0.17 -0.01 0.00 -2.27 0.00 0.00 179.45 177.35 1j3s h ALA 101 N 1.83 -0.02 0.00 5.00 0.00 -1.23 -3.35 119.26 121.48 1j3s h ALA 101 Ca -0.00 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 1j3s h ALA 101 Cb 0.87 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1j3s h ALA 101 CO 0.02 -0.03 -1.66 -2.37 0.00 0.00 0.00 179.25 175.22 1j3s n THR 102 N -4.73 0.66 1.85 0.00 5.66 -0.79 -4.47 114.28 112.46 1j3s n THR 102 Ca -0.05 -0.37 0.03 0.00 -3.05 0.00 0.00 64.05 60.62 1j3s n THR 102 Cb 0.21 -0.79 0.16 0.00 -1.55 0.00 0.00 70.33 68.36 1j3s n THR 102 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1j3s n ASN 103 N -2.46 0.27 0.00 1.09 5.15 0.92 -5.01 115.26 115.21 1j3s n ASN 103 Ca -0.17 -1.85 0.00 0.00 -0.60 0.00 0.00 54.58 51.96 1j3s n ASN 103 Cb 0.79 -0.03 0.00 0.00 -0.53 0.00 0.00 39.78 40.01 1j3s n ASN 103 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87