#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 0.05 0.22 1.61 2.15 -1.26 -5.04 116.67 114.40 1j3s s ASP 2 Ca 0.00 -0.40 0.12 0.00 0.43 0.00 0.00 52.55 52.70 1j3s s ASP 2 Cb 0.00 0.29 -0.04 0.00 -0.30 0.00 0.00 42.92 42.86 1j3s s ASP 2 CO 0.00 -0.56 1.38 1.62 -0.17 0.00 0.00 175.17 177.43 1j3s h VAL 3 N 3.43 1.20 0.00 1.11 3.04 -1.98 -1.89 116.25 121.16 1j3s h VAL 3 Ca -0.32 -2.70 -0.05 0.00 -1.01 0.00 0.00 66.70 62.62 1j3s h VAL 3 Cb 1.19 2.59 -0.01 0.00 -2.01 0.00 0.00 31.29 33.06 1j3s h VAL 3 CO 0.49 0.68 -0.22 -0.33 -1.01 0.00 0.00 177.57 177.18 1j3s h GLU 4 N 0.00 0.00 0.01 4.17 5.08 -1.99 -1.41 114.58 120.45 1j3s h GLU 4 Ca -0.01 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 1j3s h GLU 4 Cb 1.54 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.74 1j3s h GLU 4 CO 0.09 0.22 -1.79 1.63 -1.00 0.00 0.00 179.01 178.16 1j3s n LYS 5 N -3.55 0.60 -0.16 2.33 5.02 -1.19 -3.61 118.16 117.60 1j3s n LYS 5 Ca -0.01 0.43 0.08 0.00 -2.02 0.00 0.00 58.31 56.79 1j3s n LYS 5 Cb 0.37 -1.66 0.39 0.00 -0.02 0.00 0.00 35.03 34.12 1j3s n LYS 5 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1j3s h GLY 6 N -0.59 0.86 0.91 0.72 0.00 -1.36 -1.21 103.07 102.40 1j3s h GLY 6 Ca -0.48 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 46.53 1j3s h GLY 6 CO -0.23 0.18 -0.01 1.70 0.00 0.00 0.00 176.54 178.17 1j3s h LYS 7 N 0.65 0.61 0.00 4.80 1.63 -1.42 -2.15 116.57 120.69 1j3s h LYS 7 Ca 0.31 -0.20 -0.03 0.00 -0.85 0.00 0.00 60.65 59.87 1j3s h LYS 7 Cb 0.35 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1j3s h LYS 7 CO -0.10 0.74 -0.15 -0.22 -3.45 0.00 0.00 179.45 176.26 1j3s h LYS 8 N 0.41 0.00 0.12 1.90 3.64 -1.33 -0.21 116.57 121.10 1j3s h LYS 8 Ca 0.09 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1j3s h LYS 8 Cb 0.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1j3s h LYS 8 CO 0.02 0.15 -0.06 0.82 -2.27 0.00 0.00 179.45 178.11 1j3s h ILE 9 N 0.00 0.00 -0.23 2.00 2.04 -0.81 -1.87 117.51 118.64 1j3s h ILE 9 Ca -0.00 -0.25 0.07 0.00 1.00 0.00 0.00 64.86 65.67 1j3s h ILE 9 Cb 0.37 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1j3s h ILE 9 CO 0.02 0.00 0.27 0.15 0.00 0.00 0.00 178.15 178.59 1j3s h PHE 10 N -0.42 0.00 -0.31 1.37 3.04 -1.42 0.75 116.94 119.95 1j3s h PHE 10 Ca -0.02 0.00 -0.17 0.00 3.98 0.00 0.00 57.97 61.76 1j3s h PHE 10 Cb 0.13 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.64 1j3s h PHE 10 CO 0.05 0.00 -0.49 0.82 -2.02 0.00 0.00 178.31 176.67 1j3s h ILE 11 N 0.00 1.28 -0.39 1.41 2.04 -1.03 0.03 117.51 120.85 1j3s h ILE 11 Ca 0.11 -1.67 0.00 0.00 1.00 0.00 0.00 64.86 64.30 1j3s h ILE 11 Cb 0.64 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1j3s h ILE 11 CO -0.00 0.55 0.00 1.15 0.00 0.00 0.00 178.15 179.85 1j3s n MET 12 N -4.05 3.46 0.04 2.37 0.00 0.25 -3.90 117.12 115.28 1j3s n MET 12 Ca -0.04 -2.83 0.00 0.00 0.00 0.00 0.00 57.70 54.83 1j3s n MET 12 Cb 0.60 -1.87 0.00 0.00 0.00 0.00 0.00 33.22 31.94 1j3s n MET 12 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1j3s n LYS 13 N 0.06 0.00 -0.77 3.17 3.00 0.23 -4.87 118.16 118.98 1j3s n LYS 13 Ca 0.22 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.59 1j3s n LYS 13 Cb 0.90 -0.36 0.17 0.00 0.00 0.00 0.00 35.03 35.75 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 -0.82 1.14 -0.11 0.00 2.88 -0.04 -1.56 113.62 115.11 1j3s n SER 15 Ca 0.17 -1.82 -0.20 0.00 -1.33 0.00 0.00 58.87 55.69 1j3s n SER 15 Cb 0.78 -0.11 -0.07 0.00 -0.75 0.00 0.00 64.21 64.06 1j3s n SER 15 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1j3s n GLN 16 N 0.05 0.54 0.04 -1.46 -0.06 -1.26 -4.43 117.38 110.79 1j3s n GLN 16 Ca 0.11 0.23 -0.12 0.00 -2.00 0.00 0.00 57.00 55.22 1j3s n GLN 16 Cb 0.21 -1.42 -0.13 0.00 -4.06 0.00 0.00 30.24 24.84 1j3s n GLN 16 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1j3s s HIS 18 N -2.64 3.44 -0.71 0.00 3.76 -0.60 -0.25 115.29 118.30 1j3s s HIS 18 Ca -0.05 -2.73 -0.20 0.00 -0.15 0.00 0.00 55.06 51.94 1j3s s HIS 18 Cb 0.08 -3.14 0.10 0.00 1.11 0.00 0.00 32.58 30.74 1j3s s HIS 18 CO 0.83 -0.87 0.90 0.95 -0.85 0.00 0.00 174.74 175.71 1j3s s THR 19 N 0.26 4.65 -0.16 1.30 -4.23 -1.26 -4.02 115.64 112.18 1j3s s THR 19 Ca 0.14 -0.96 -0.04 0.00 -1.18 0.00 0.00 61.69 59.65 1j3s s THR 19 Cb -0.22 -4.63 -0.08 0.00 1.34 0.00 0.00 72.50 68.91 1j3s s THR 19 CO -0.03 -1.34 2.97 1.33 -0.54 0.00 0.00 174.62 177.01 1j3s n VAL 20 N 5.60 2.91 -1.57 2.29 0.24 -1.26 -3.65 118.33 122.89 1j3s n VAL 20 Ca 0.01 -1.77 -0.02 0.00 -2.04 0.00 0.00 64.34 60.53 1j3s n VAL 20 Cb 0.45 -1.74 -0.02 0.00 -1.47 0.00 0.00 33.84 31.07 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 1.66 0.00 -0.02 7.34 1.02 -1.26 -4.93 120.64 124.45 1j3s n GLU 21 Ca 0.37 -0.24 0.12 0.00 -0.02 0.00 0.00 57.16 57.38 1j3s n GLU 21 Cb 0.72 0.36 0.11 0.00 -0.02 0.00 0.00 31.44 32.61 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 2.28 0.00 3.49 3.00 -1.24 -4.92 118.16 120.77 1j3s n LYS 22 Ca -0.07 -1.94 0.00 0.00 -0.00 0.00 0.00 58.31 56.30 1j3s n LYS 22 Cb 0.34 -1.46 0.00 0.00 0.00 0.00 0.00 35.03 33.91 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 1.34 0.65 0.00 3.14 0.00 -1.26 -4.34 105.19 104.71 1j3s n GLY 23 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.29 1.41 3.92 -0.02 0.00 -1.26 -5.13 105.19 102.82 1j3s n GLY 24 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 3.47 0.19 1.61 2.20 -1.26 -4.89 119.74 121.05 1j3s s LYS 25 Ca 0.00 -0.02 -0.00 0.00 -0.36 0.00 0.00 55.97 55.59 1j3s s LYS 25 Cb 0.00 -2.47 -0.04 0.00 -1.51 0.00 0.00 37.83 33.81 1j3s s LYS 25 CO 0.00 -0.12 0.09 -3.38 -0.36 0.00 0.00 175.35 171.58 1j3s s HIS 26 N -2.61 1.14 0.00 4.03 0.00 -1.26 -4.56 115.29 112.03 1j3s s HIS 26 Ca 0.45 -1.26 0.00 0.00 -3.00 0.00 0.00 55.06 51.25 1j3s s HIS 26 Cb -0.10 -0.61 0.00 0.00 -4.00 0.00 0.00 32.58 27.87 1j3s s HIS 26 CO 0.42 -0.50 0.00 1.17 -1.00 0.00 0.00 174.74 174.83 1j3s n LYS 27 N -0.25 0.00 -0.00 -0.38 4.81 -1.26 -4.96 118.16 116.12 1j3s n LYS 27 Ca -0.02 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.43 1j3s n LYS 27 Cb 0.65 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.59 1j3s n LYS 27 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1j3s n THR 28 N -0.30 0.93 -4.29 3.15 -1.04 -1.26 -4.91 114.28 106.57 1j3s n THR 28 Ca 0.00 -0.68 -0.29 0.00 -2.04 0.00 0.00 64.05 61.04 1j3s n THR 28 Cb 0.00 -0.49 -0.11 0.00 -1.82 0.00 0.00 70.33 67.91 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 -4.86 1.72 0.18 3.41 0.00 0.66 -4.97 107.32 103.46 1j3s s GLY 29 Ca -0.05 -1.35 -0.31 0.00 0.00 0.00 0.00 44.72 43.01 1j3s s GLY 29 CO 0.84 -1.34 1.48 2.56 0.00 0.00 0.00 173.10 176.63 1j3s s PRO 30 N -2.23 4.26 -0.68 2.90 0.04 -1.26 -4.58 135.00 133.46 1j3s s PRO 30 Ca 0.19 2.26 -0.30 0.00 0.04 0.00 0.00 61.00 63.20 1j3s s PRO 30 Cb -0.10 -3.16 -0.14 0.00 0.04 0.00 0.00 34.50 31.13 1j3s s PRO 30 CO 0.11 -0.49 2.50 -1.71 0.04 0.00 0.00 177.00 177.44 1j3s n ASN 31 N 3.40 1.42 -3.48 6.66 4.05 -1.26 -4.73 115.26 121.31 1j3s n ASN 31 Ca 0.11 -0.07 -0.40 0.00 0.45 0.00 0.00 54.58 54.67 1j3s n ASN 31 Cb 0.40 -1.25 -0.02 0.00 1.23 0.00 0.00 39.78 40.14 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 12.63 8.03 0.04 1.20 4.32 -1.26 -4.46 117.00 137.50 1j3s n LEU 32 Ca 0.50 -4.40 0.08 0.00 -0.02 0.00 0.00 56.01 52.18 1j3s n LEU 32 Cb 0.27 -1.55 -0.08 0.00 -1.62 0.00 0.00 43.42 40.44 1j3s n LEU 32 CO 0.82 1.77 -0.38 1.57 -1.22 0.00 0.00 177.39 179.95 1j3s n HIS 33 N 4.03 0.57 -2.03 -1.77 -0.00 -1.26 -4.52 115.22 110.25 1j3s n HIS 33 Ca 0.67 0.17 -0.01 0.00 0.46 0.00 0.00 57.72 59.01 1j3s n HIS 33 Cb 0.28 -0.82 -0.01 0.00 -0.12 0.00 0.00 29.99 29.32 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 1.28 0.82 0.50 1.57 0.00 -1.26 -4.74 105.19 103.35 1j3s n GLY 34 Ca -0.05 -0.04 0.40 0.00 0.00 0.00 0.00 46.02 46.32 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 0.05 0.20 -9.58 0.99 6.46 -1.84 -3.36 115.31 108.22 1j3s h LEU 35 Ca -0.14 0.12 -0.53 0.00 -0.12 0.00 0.00 57.88 57.21 1j3s h LEU 35 Cb 1.19 0.11 0.02 0.00 -0.73 0.00 0.00 40.66 41.26 1j3s h LEU 35 CO -0.06 -0.17 0.66 -0.36 -0.62 0.00 0.00 178.44 177.89 1j3s s PHE 36 N -5.23 3.29 0.00 1.25 0.40 -1.26 -2.57 117.98 113.86 1j3s s PHE 36 Ca -0.07 1.13 0.00 0.00 -0.60 0.00 0.00 56.93 57.38 1j3s s PHE 36 Cb 0.29 -3.60 0.00 0.00 0.51 0.00 0.00 43.02 40.23 1j3s s PHE 36 CO 0.83 -1.96 0.00 0.41 0.70 0.00 0.00 175.22 175.20 1j3s n GLY 37 N 3.01 2.13 3.27 4.36 0.00 -1.23 -4.93 105.19 111.79 1j3s n GLY 37 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1j3s n GLY 37 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1j3s s ARG 38 N -0.45 1.09 0.80 1.61 1.70 -1.06 -4.99 118.95 117.64 1j3s s ARG 38 Ca 0.00 -1.19 -0.06 0.00 -0.47 0.00 0.00 55.73 54.01 1j3s s ARG 38 Cb 0.00 -1.20 0.15 0.00 -0.57 0.00 0.00 34.95 33.33 1j3s s ARG 38 CO 0.00 0.26 1.10 -1.59 -1.08 0.00 0.00 175.30 173.99 1j3s s LYS 39 N -2.19 1.35 0.00 3.89 -2.85 -1.26 -3.74 119.74 114.93 1j3s s LYS 39 Ca 0.07 -0.89 0.00 0.00 -1.00 0.00 0.00 55.97 54.15 1j3s s LYS 39 Cb -0.08 -2.18 0.00 0.00 -2.06 0.00 0.00 37.83 33.51 1j3s s LYS 39 CO 0.04 -1.76 0.00 0.25 0.10 0.00 0.00 175.35 173.99 1j3s n THR 40 N -3.13 0.00 -2.71 3.79 -2.24 -1.26 -4.76 114.28 103.97 1j3s n THR 40 Ca 0.15 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.91 1j3s n THR 40 Cb 0.60 -0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 68.36 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 1.12 -4.35 1.45 3.38 0.00 -1.26 -4.93 105.19 100.61 1j3s n GLY 41 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 46.02 46.97 1j3s n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1j3s n GLN 42 N 1.18 0.00 -2.79 1.61 -0.06 -1.26 -5.10 117.38 110.95 1j3s n GLN 42 Ca -0.16 0.00 -0.38 0.00 -2.00 0.00 0.00 57.00 54.46 1j3s n GLN 42 Cb 0.27 -0.05 -0.06 0.00 -4.06 0.00 0.00 30.24 26.34 1j3s n GLN 42 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1j3s s ALA 43 N -1.73 3.27 0.00 1.69 0.00 -1.26 -5.03 121.76 118.70 1j3s s ALA 43 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1j3s s ALA 43 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1j3s s ALA 43 CO 0.00 0.20 0.00 -0.35 0.00 0.00 0.00 175.76 175.61 1j3s n PRO 44 N 0.91 0.00 -0.55 0.00 -0.04 -1.26 -4.19 135.00 129.87 1j3s n PRO 44 Ca 0.00 0.00 0.44 0.00 -0.04 0.00 0.00 63.50 63.91 1j3s n PRO 44 Cb 0.49 -0.03 0.74 0.00 -0.04 0.00 0.00 33.50 34.66 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 0.67 -6.62 0.55 0.00 -2.06 -3.31 103.07 92.29 1j3s h GLY 45 Ca 0.00 -0.05 -0.58 0.00 0.00 0.00 0.00 47.33 46.69 1j3s h GLY 45 CO 0.00 -0.22 0.73 -0.47 0.00 0.00 0.00 176.54 176.59 1j3s s TYR 46 N -5.08 2.93 -1.27 5.60 6.14 -1.26 -4.93 117.35 119.48 1j3s s TYR 46 Ca -0.06 0.65 -0.19 0.00 0.64 0.00 0.00 57.07 58.11 1j3s s TYR 46 Cb 0.28 -4.06 0.02 0.00 0.42 0.00 0.00 41.96 38.63 1j3s s TYR 46 CO 0.85 -1.08 1.85 -1.13 0.64 0.00 0.00 175.55 176.68 1j3s n SER 47 N 7.31 4.30 -3.59 4.32 3.41 -1.25 -4.50 113.62 123.63 1j3s n SER 47 Ca 0.09 -2.85 -0.11 0.00 -0.26 0.00 0.00 58.87 55.73 1j3s n SER 47 Cb 0.48 -1.71 0.10 0.00 -0.26 0.00 0.00 64.21 62.83 1j3s n SER 47 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1j3s n TYR 48 N 9.36 -2.13 -1.55 7.33 4.02 -1.26 -4.45 117.16 128.48 1j3s n TYR 48 Ca 0.49 0.17 -0.14 0.00 -0.01 0.00 0.00 57.90 58.41 1j3s n TYR 48 Cb 0.45 -1.37 -0.09 0.00 -0.02 0.00 0.00 39.34 38.31 1j3s n TYR 48 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1j3s n THR 49 N -3.99 0.00 -0.28 -0.72 -1.04 -1.26 -4.72 114.28 102.26 1j3s n THR 49 Ca 0.05 -0.43 0.04 0.00 -2.04 0.00 0.00 64.05 61.68 1j3s n THR 49 Cb 0.22 -1.87 0.19 0.00 -1.82 0.00 0.00 70.33 67.05 1j3s n THR 49 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j3s h ALA 50 N 12.41 1.17 -1.09 2.41 0.00 -1.94 -1.94 119.26 130.28 1j3s h ALA 50 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1j3s h ALA 50 Cb 1.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1j3s h ALA 50 CO 1.04 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 180.26 1j3s n ALA 51 N -2.41 -0.23 -0.25 0.00 0.00 -1.26 -1.64 120.51 114.72 1j3s n ALA 51 Ca 0.14 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.81 1j3s n ALA 51 Cb 0.35 0.12 0.42 0.00 0.00 0.00 0.00 19.45 20.34 1j3s n ALA 51 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1j3s n ASN 52 N -1.69 0.22 0.29 0.00 3.02 -1.11 0.17 115.26 116.15 1j3s n ASN 52 Ca 0.00 1.29 -0.18 0.00 -0.03 0.00 0.00 54.58 55.66 1j3s n ASN 52 Cb 0.00 -0.60 -0.09 0.00 -0.61 0.00 0.00 39.78 38.47 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 -0.93 0.00 3.52 3.64 -0.51 -1.15 116.57 121.15 1j3s h LYS 53 Ca 0.63 0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 60.07 1j3s h LYS 53 Cb 1.62 0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 33.66 1j3s h LYS 53 CO -0.61 -0.62 -0.01 -0.97 -2.27 0.00 0.00 179.45 174.96 1j3s h ASN 54 N -0.96 0.00 0.22 4.20 -1.24 0.36 -1.65 115.58 116.51 1j3s h ASN 54 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.95 1j3s h ASN 54 Cb 0.84 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.89 1j3s h ASN 54 CO -0.06 0.01 0.00 1.17 -1.29 0.00 0.00 177.43 177.27 1j3s n LYS 55 N -3.16 0.05 -3.84 6.67 3.00 -0.44 -4.83 118.16 115.61 1j3s n LYS 55 Ca -0.02 0.30 -0.26 0.00 -0.00 0.00 0.00 58.31 58.33 1j3s n LYS 55 Cb 0.17 -1.50 0.02 0.00 0.00 0.00 0.00 35.03 33.72 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 -0.65 -0.37 3.37 3.14 0.00 -0.62 -4.94 105.19 105.12 1j3s n GLY 56 Ca 0.03 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.54 3.95 -0.44 -0.61 -1.16 -1.25 -5.06 121.20 113.09 1j3s s ILE 57 Ca 0.31 -0.49 -0.26 0.00 -0.51 0.00 0.00 60.65 59.70 1j3s s ILE 57 Cb -0.16 -2.93 0.02 0.00 0.61 0.00 0.00 42.46 40.00 1j3s s ILE 57 CO 0.83 0.23 0.94 -0.51 -2.81 0.00 0.00 174.94 173.62 1j3s s ILE 58 N 1.53 4.48 -0.67 2.00 -1.16 -1.26 -4.43 121.20 121.69 1j3s s ILE 58 Ca 0.04 0.89 -0.30 0.00 -0.51 0.00 0.00 60.65 60.78 1j3s s ILE 58 Cb -0.16 -4.42 -0.14 0.00 0.61 0.00 0.00 42.46 38.35 1j3s s ILE 58 CO 0.02 -0.77 2.49 0.79 -2.81 0.00 0.00 174.94 174.66 1j3s n TRP 59 N 7.12 1.10 -3.76 3.50 5.03 -1.25 -4.81 117.44 124.38 1j3s n TRP 59 Ca 0.07 0.26 0.00 0.00 3.03 0.00 0.00 57.50 60.86 1j3s n TRP 59 Cb 0.48 -2.51 0.00 0.00 -1.03 0.00 0.00 31.31 28.25 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 6.31 4.98 0.00 6.99 0.00 -1.26 -3.55 105.19 118.66 1j3s n GLY 60 Ca 0.50 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.04 1.61 -0.58 -1.26 -1.64 120.64 118.73 1j3s n GLU 61 Ca 0.00 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 1j3s n GLU 61 Cb 0.00 -1.16 0.29 0.00 -0.57 0.00 0.00 31.44 30.01 1j3s n GLU 61 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1j3s h ASP 62 N 0.00 0.57 -0.73 1.62 1.82 -1.98 -1.88 116.42 115.84 1j3s h ASP 62 Ca 0.00 -0.08 0.02 0.00 -0.39 0.00 0.00 57.03 56.57 1j3s h ASP 62 Cb 0.00 -0.15 -0.04 0.00 0.68 0.00 0.00 39.33 39.82 1j3s h ASP 62 CO 0.00 0.57 0.47 0.71 -1.61 0.00 0.00 179.24 179.38 1j3s h THR 63 N 0.61 1.15 -0.06 2.25 1.35 -1.89 -2.13 112.91 114.20 1j3s h THR 63 Ca 0.14 -0.33 -0.17 0.00 -0.55 0.00 0.00 66.41 65.50 1j3s h THR 63 Cb 0.22 0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 66.75 1j3s h THR 63 CO -0.00 0.17 -0.71 0.25 -0.25 0.00 0.00 175.52 174.98 1j3s h LEU 64 N 0.95 0.36 -2.23 3.87 6.46 -0.92 -2.87 115.31 120.93 1j3s h LEU 64 Ca 0.28 -0.24 0.02 0.00 -0.12 0.00 0.00 57.88 57.82 1j3s h LEU 64 Cb -0.06 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 39.76 1j3s h LEU 64 CO -0.08 0.96 0.06 -0.03 -0.62 0.00 0.00 178.44 178.73 1j3s h MET 65 N 0.21 0.00 0.00 1.25 4.05 -0.70 -0.97 114.93 118.76 1j3s h MET 65 Ca -0.02 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1j3s h MET 65 Cb 1.27 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.07 1j3s h MET 65 CO 0.12 0.00 -0.07 1.49 0.23 0.00 0.00 176.91 178.68 1j3s h GLU 66 N 0.00 0.00 -0.90 0.39 4.57 -1.25 -2.02 114.58 115.36 1j3s h GLU 66 Ca 0.03 0.00 0.26 0.00 -1.18 0.00 0.00 59.36 58.47 1j3s h GLU 66 Cb 0.15 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 1j3s h GLU 66 CO -0.00 0.00 0.74 -0.92 -1.18 0.00 0.00 179.01 177.65 1j3s h TYR 67 N -0.55 0.00 0.05 0.92 3.20 -1.46 0.37 116.97 119.49 1j3s h TYR 67 Ca 0.00 0.00 -0.28 0.00 3.14 0.00 0.00 58.73 61.59 1j3s h TYR 67 Cb 0.07 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 1j3s h TYR 67 CO -0.03 0.00 -1.51 1.25 -1.64 0.00 0.00 178.16 176.23 1j3s h LEU 68 N 0.00 0.17 -2.48 2.82 5.85 -1.29 0.46 115.31 120.84 1j3s h LEU 68 Ca 0.43 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.89 1j3s h LEU 68 Cb 1.91 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.89 1j3s h LEU 68 CO -0.00 1.22 0.03 -0.08 -0.34 0.00 0.00 178.44 179.27 1j3s h GLU 69 N 0.03 0.00 -0.14 1.25 4.81 0.50 -3.38 114.58 117.65 1j3s h GLU 69 Ca -0.22 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.14 1j3s h GLU 69 Cb 1.96 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 31.17 1j3s h GLU 69 CO 0.12 0.00 -0.08 1.21 -0.73 0.00 0.00 179.01 179.53 1j3s s ASN 70 N -5.97 -0.21 0.15 1.04 3.04 -0.91 -4.93 114.94 107.15 1j3s s ASN 70 Ca -0.05 -0.12 -0.05 0.00 0.04 0.00 0.00 52.86 52.68 1j3s s ASN 70 Cb 0.15 0.27 -0.02 0.00 -1.54 0.00 0.00 41.25 40.10 1j3s s ASN 70 CO 0.53 -0.02 1.38 1.55 -3.04 0.00 0.00 177.10 177.50 1j3s h PRO 71 N 5.13 0.52 0.00 0.43 0.13 -1.09 0.77 132.00 137.88 1j3s h PRO 71 Ca -0.04 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1j3s h PRO 71 Cb 1.23 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1j3s h PRO 71 CO -0.09 1.07 0.00 -0.22 -0.23 0.00 0.00 178.00 178.53 1j3s h LYS 72 N 0.34 0.00 0.00 0.86 3.64 -1.85 0.25 116.57 119.82 1j3s h LYS 72 Ca -0.05 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.12 1j3s h LYS 72 Cb 1.38 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.16 1j3s h LYS 72 CO 0.14 0.00 -2.19 1.17 -2.27 0.00 0.00 179.45 176.30 1j3s n LYS 73 N -2.64 0.67 0.00 1.90 4.81 -1.03 -4.55 118.16 117.32 1j3s n LYS 73 Ca 0.00 -0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1j3s n LYS 73 Cb 0.21 -1.53 0.00 0.00 0.02 0.00 0.00 35.03 33.72 1j3s n LYS 73 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1j3s n TYR 74 N -2.56 0.00 -3.39 5.64 9.36 0.23 -4.79 117.16 121.65 1j3s n TYR 74 Ca -0.20 0.00 -0.44 0.00 3.32 0.00 0.00 57.90 60.58 1j3s n TYR 74 Cb 0.91 -0.29 -0.08 0.00 -0.63 0.00 0.00 39.34 39.24 1j3s n TYR 74 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1j3s s ILE 75 N -0.97 5.21 -1.17 2.97 -1.09 0.02 -5.00 121.20 121.17 1j3s s ILE 75 Ca 0.00 -0.90 -0.21 0.00 -2.23 0.00 0.00 60.65 57.32 1j3s s ILE 75 Cb 0.00 -4.08 0.04 0.00 -1.58 0.00 0.00 42.46 36.83 1j3s s ILE 75 CO 0.00 -0.52 1.69 -2.16 -1.23 0.00 0.00 174.94 172.73 1j3s s PRO 76 N 1.73 3.58 0.00 2.79 0.04 -1.26 -3.36 135.00 138.52 1j3s s PRO 76 Ca 0.05 -1.51 0.00 0.00 0.04 0.00 0.00 61.00 59.59 1j3s s PRO 76 Cb -0.22 -5.41 0.00 0.00 0.04 0.00 0.00 34.50 28.90 1j3s s PRO 76 CO 0.08 -2.54 0.00 0.41 0.04 0.00 0.00 177.00 174.99 1j3s n GLY 77 N 6.00 0.63 3.14 0.56 0.00 -1.26 -4.97 105.19 109.30 1j3s n GLY 77 Ca 0.43 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.68 2.61 5.66 -1.21 -4.86 114.28 115.79 1j3s n THR 78 Ca 0.00 -0.37 0.08 0.00 -3.05 0.00 0.00 64.05 60.71 1j3s n THR 78 Cb 0.00 -0.22 0.29 0.00 -1.55 0.00 0.00 70.33 68.85 1j3s n THR 78 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1j3s n LYS 79 N 1.00 3.44 -1.65 1.09 4.01 -1.26 -4.98 118.16 119.82 1j3s n LYS 79 Ca 0.01 -2.74 -0.43 0.00 -0.51 0.00 0.00 58.31 54.64 1j3s n LYS 79 Cb 0.56 -1.79 -0.03 0.00 -0.51 0.00 0.00 35.03 33.26 1j3s n LYS 79 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1j3s n MET 80 N 0.43 2.62 -0.52 1.97 2.81 -1.26 -4.81 117.12 118.37 1j3s n MET 80 Ca 0.22 0.93 0.05 0.00 -1.81 0.00 0.00 57.70 57.09 1j3s n MET 80 Cb 0.83 -3.00 0.25 0.00 -0.71 0.00 0.00 33.22 30.59 1j3s n MET 80 CO 0.00 0.00 0.00 1.51 1.51 0.00 0.00 175.97 178.99 1j3s n ILE 81 N 5.87 1.59 -0.63 2.02 0.13 -1.26 -4.94 119.36 122.14 1j3s n ILE 81 Ca 0.22 -0.84 -0.30 0.00 -1.10 0.00 0.00 62.75 60.73 1j3s n ILE 81 Cb 0.40 -0.29 0.19 0.00 -0.84 0.00 0.00 39.64 39.10 1j3s n ILE 81 CO 0.00 0.00 0.00 0.12 2.80 0.00 0.00 176.55 179.47 1j3s s PHE 82 N -2.01 1.51 -0.26 9.51 5.36 -1.26 -4.98 117.98 125.85 1j3s s PHE 82 Ca 0.34 1.68 0.00 0.00 -0.96 0.00 0.00 56.93 57.99 1j3s s PHE 82 Cb 0.25 -3.30 -0.17 0.00 -0.34 0.00 0.00 43.02 39.46 1j3s s PHE 82 CO 0.11 -3.10 -0.23 1.33 -1.46 0.00 0.00 175.22 171.87 1j3s n VAL 83 N -4.43 1.50 0.00 3.12 0.24 -1.26 -5.06 118.33 112.44 1j3s n VAL 83 Ca 0.10 -0.55 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 1j3s n VAL 83 Cb 0.52 -1.48 0.00 0.00 -1.47 0.00 0.00 33.84 31.42 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 2.15 0.95 3.75 7.63 0.00 -1.26 -5.08 105.19 113.32 1j3s n GLY 84 Ca -0.47 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 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 2.85 -0.64 -0.61 -1.09 -1.26 -4.93 121.20 115.52 1j3s s ILE 85 Ca 0.00 0.75 0.02 0.00 -2.23 0.00 0.00 60.65 59.18 1j3s s ILE 85 Cb 0.00 -3.48 0.38 0.00 -1.58 0.00 0.00 42.46 37.79 1j3s s ILE 85 CO 0.00 0.13 1.51 1.17 -1.23 0.00 0.00 174.94 176.53 1j3s n LYS 86 N 2.02 3.22 -3.87 2.79 0.00 -1.26 -4.93 118.16 116.13 1j3s n LYS 86 Ca 0.05 -4.12 -0.30 0.00 0.00 0.00 0.00 58.31 53.94 1j3s n LYS 86 Cb 0.41 -2.27 -0.16 0.00 0.00 0.00 0.00 35.03 33.02 1j3s n LYS 86 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1j3s s LYS 87 N -3.79 1.25 0.38 1.64 2.20 -1.26 -4.99 119.74 115.17 1j3s s LYS 87 Ca 0.49 -1.01 0.05 0.00 -0.36 0.00 0.00 55.97 55.14 1j3s s LYS 87 Cb 0.40 -2.45 0.75 0.00 -1.51 0.00 0.00 37.83 35.02 1j3s s LYS 87 CO -0.28 -0.72 2.01 0.87 -0.36 0.00 0.00 175.35 176.87 1j3s h LYS 88 N 7.99 0.62 -0.46 4.03 1.79 -1.99 -1.79 116.57 126.75 1j3s h LYS 88 Ca -0.15 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.23 1j3s h LYS 88 Cb 1.06 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.56 1j3s h LYS 88 CO 0.42 0.44 0.14 1.49 -1.08 0.00 0.00 179.45 180.87 1j3s h GLU 89 N 0.63 0.73 -0.40 3.15 4.81 -2.00 -1.39 114.58 120.11 1j3s h GLU 89 Ca 0.16 -0.16 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 1j3s h GLU 89 Cb -0.00 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1j3s h GLU 89 CO -0.03 0.70 -0.13 0.93 -0.73 0.00 0.00 179.01 179.75 1j3s h GLU 90 N 0.62 0.80 -0.71 1.92 4.39 -1.87 -2.78 114.58 116.94 1j3s h GLU 90 Ca 0.15 -0.32 -0.03 0.00 0.34 0.00 0.00 59.36 59.50 1j3s h GLU 90 Cb 0.28 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 1j3s h GLU 90 CO -0.00 0.94 0.34 0.00 -1.16 0.00 0.00 179.01 179.13 1j3s h ARG 91 N 0.61 1.02 0.06 2.33 -0.00 -1.20 -1.94 114.38 115.25 1j3s h ARG 91 Ca 0.10 -0.14 -0.00 0.00 -0.50 0.00 0.00 59.98 59.43 1j3s h ARG 91 Cb 0.67 -0.19 0.00 0.00 0.00 0.00 0.00 29.97 30.45 1j3s h ARG 91 CO 0.05 0.79 -0.03 0.00 0.00 0.00 0.00 179.97 180.78 1j3s h ALA 92 N 1.36 -0.08 0.00 0.04 0.00 -1.10 -1.73 119.26 117.75 1j3s h ALA 92 Ca 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1j3s h ALA 92 Cb 0.11 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1j3s h ALA 92 CO -0.03 -0.50 -0.04 -0.44 0.00 0.00 0.00 179.25 178.24 1j3s h ASP 93 N -0.17 0.00 0.13 0.00 3.32 -1.25 -1.78 116.42 116.67 1j3s h ASP 93 Ca -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1j3s h ASP 93 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1j3s h ASP 93 CO 0.01 0.04 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.44 1j3s h LEU 94 N 0.00 -0.15 -0.19 1.55 3.38 -0.54 -2.31 115.31 117.04 1j3s h LEU 94 Ca -0.00 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 1j3s h LEU 94 Cb 0.09 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1j3s h LEU 94 CO 0.00 0.32 0.10 0.40 0.09 0.00 0.00 178.44 179.35 1j3s h ILE 95 N -0.66 1.13 -0.67 1.22 1.08 -1.03 -2.13 117.51 116.45 1j3s h ILE 95 Ca -0.02 -0.37 0.10 0.00 -0.39 0.00 0.00 64.86 64.18 1j3s h ILE 95 Cb 0.50 1.02 -0.07 0.00 -3.07 0.00 0.00 36.82 35.20 1j3s h ILE 95 CO 0.03 0.12 0.29 0.00 -0.69 0.00 0.00 178.15 177.91 1j3s h ALA 96 N 0.96 0.90 -0.48 1.87 0.00 -1.40 0.95 119.26 122.07 1j3s h ALA 96 Ca 0.07 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1j3s h ALA 96 Cb 0.11 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1j3s h ALA 96 CO -0.01 -0.13 0.26 -0.92 0.00 0.00 0.00 179.25 178.45 1j3s h TYR 97 N 0.50 0.67 -0.00 0.00 3.20 -1.13 -0.92 116.97 119.29 1j3s h TYR 97 Ca 0.34 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.19 1j3s h TYR 97 Cb 0.40 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.45 1j3s h TYR 97 CO -0.14 0.51 -0.03 1.28 -1.64 0.00 0.00 178.16 178.14 1j3s n LEU 98 N -4.66 0.24 0.01 2.82 7.99 -0.54 -1.49 117.00 121.37 1j3s n LEU 98 Ca 0.02 0.04 0.11 0.00 -0.01 0.00 0.00 56.01 56.16 1j3s n LEU 98 Cb 0.09 -0.12 -0.05 0.00 -0.11 0.00 0.00 43.42 43.23 1j3s n LEU 98 CO 0.36 0.04 -0.14 1.17 -1.51 0.00 0.00 177.39 177.32 1j3s n LYS 99 N -0.97 0.25 -0.00 3.23 0.00 0.32 -3.48 118.16 117.51 1j3s n LYS 99 Ca 0.19 -0.04 -0.00 0.00 0.00 0.00 0.00 58.31 58.46 1j3s n LYS 99 Cb 0.21 -1.54 -0.00 0.00 0.00 0.00 0.00 35.03 33.69 1j3s n LYS 99 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1j3s n LYS 100 N -1.84 0.04 0.08 1.64 4.81 -0.70 -3.68 118.16 118.51 1j3s n LYS 100 Ca 0.02 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.38 1j3s n LYS 100 Cb 0.42 -1.00 0.01 0.00 0.02 0.00 0.00 35.03 34.48 1j3s n LYS 100 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1j3s h ALA 101 N 0.00 0.56 0.00 3.14 0.00 -1.48 -3.15 119.26 118.33 1j3s h ALA 101 Ca -0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 54.91 54.19 1j3s h ALA 101 Cb 1.00 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1j3s h ALA 101 CO -0.00 0.89 -0.36 0.25 0.00 0.00 0.00 179.25 180.03 1j3s n THR 102 N -3.68 1.21 -1.70 0.00 -2.24 -1.25 -4.72 114.28 101.89 1j3s n THR 102 Ca -0.03 -1.69 0.00 0.00 -2.27 0.00 0.00 64.05 60.05 1j3s n THR 102 Cb 0.78 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 1j3s n THR 102 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1j3s n ASN 103 N -0.75 0.00 0.00 3.42 4.05 -1.23 -4.53 115.26 116.22 1j3s n ASN 103 Ca 0.11 -1.24 0.00 0.00 0.45 0.00 0.00 54.58 53.90 1j3s n ASN 103 Cb 0.73 -0.05 0.00 0.00 1.23 0.00 0.00 39.78 41.69 1j3s n ASN 103 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42