#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 5.10 0.14 1.61 1.01 -1.26 -5.02 116.67 118.24 1j3s s ASP 2 Ca 0.00 -0.23 -0.08 0.00 0.71 0.00 0.00 52.55 52.96 1j3s s ASP 2 Cb 0.00 -1.22 -0.06 0.00 1.01 0.00 0.00 42.92 42.65 1j3s s ASP 2 CO 0.00 0.12 1.37 1.62 0.21 0.00 0.00 175.17 178.49 1j3s h VAL 3 N 2.52 1.32 0.00 -1.27 3.04 -2.00 -2.82 116.25 117.03 1j3s h VAL 3 Ca -0.47 -2.02 -0.01 0.00 -1.01 0.00 0.00 66.70 63.18 1j3s h VAL 3 Cb 1.19 2.01 -0.00 0.00 -2.01 0.00 0.00 31.29 32.48 1j3s h VAL 3 CO 0.60 0.63 -0.03 -0.33 -1.01 0.00 0.00 177.57 177.43 1j3s h GLU 4 N 0.44 0.00 0.01 4.17 5.08 -2.00 -2.64 114.58 119.63 1j3s h GLU 4 Ca -0.04 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 1j3s h GLU 4 Cb 1.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 1j3s h GLU 4 CO 0.14 0.03 -0.59 -0.22 -1.00 0.00 0.00 179.01 177.38 1j3s h LYS 5 N 0.00 0.01 -0.67 2.33 3.64 -1.94 -3.24 116.57 116.71 1j3s h LYS 5 Ca -0.00 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.48 1j3s h LYS 5 Cb 0.16 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 31.90 1j3s h LYS 5 CO 0.00 1.01 0.22 0.78 -2.27 0.00 0.00 179.45 179.19 1j3s h GLY 6 N -0.96 0.94 1.26 5.01 0.00 -1.31 0.65 103.07 108.66 1j3s h GLY 6 Ca -0.16 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.08 1j3s h GLY 6 CO -0.09 -0.09 0.49 1.70 0.00 0.00 0.00 176.54 178.56 1j3s h LYS 7 N 0.37 0.97 0.00 4.80 3.64 -1.62 -0.74 116.57 123.99 1j3s h LYS 7 Ca 0.35 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 1j3s h LYS 7 Cb 0.51 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1j3s h LYS 7 CO -0.38 0.64 -0.11 -0.22 -2.27 0.00 0.00 179.45 177.12 1j3s h LYS 8 N 1.00 0.00 0.16 1.90 1.63 -0.94 -2.26 116.57 118.06 1j3s h LYS 8 Ca 0.28 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.07 1j3s h LYS 8 Cb -0.10 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.53 1j3s h LYS 8 CO -0.06 0.11 -0.08 0.82 -3.45 0.00 0.00 179.45 176.79 1j3s h ILE 9 N 0.00 0.00 -0.55 2.00 1.08 0.09 -2.08 117.51 118.05 1j3s h ILE 9 Ca -0.00 -0.47 0.06 0.00 -0.39 0.00 0.00 64.86 64.05 1j3s h ILE 9 Cb 0.71 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.41 1j3s h ILE 9 CO 0.01 0.00 0.26 0.15 -0.69 0.00 0.00 178.15 177.88 1j3s h PHE 10 N -0.68 0.46 -0.17 1.37 3.57 -1.57 1.94 116.94 121.86 1j3s h PHE 10 Ca -0.02 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1j3s h PHE 10 Cb 0.16 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1j3s h PHE 10 CO 0.02 0.20 0.12 0.82 -2.23 0.00 0.00 178.31 177.24 1j3s h ILE 11 N 0.49 0.96 -0.11 1.41 2.04 -1.52 0.16 117.51 120.94 1j3s h ILE 11 Ca 0.25 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 66.07 1j3s h ILE 11 Cb 0.21 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1j3s h ILE 11 CO -0.20 0.02 -0.06 0.80 0.00 0.00 0.00 178.15 178.70 1j3s n MET 12 N -4.50 1.84 0.05 2.37 1.56 0.08 -4.38 117.12 114.14 1j3s n MET 12 Ca 0.00 -2.79 0.00 0.00 -0.27 0.00 0.00 57.70 54.65 1j3s n MET 12 Cb 0.19 -1.64 0.00 0.00 2.15 0.00 0.00 33.22 33.91 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 -1.11 0.00 -0.83 2.12 3.00 0.64 -4.91 118.16 117.06 1j3s n LYS 13 Ca 0.19 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.48 1j3s n LYS 13 Cb 0.75 -0.07 0.19 0.00 0.00 0.00 0.00 35.03 35.91 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 -1.10 0.68 0.03 0.00 2.88 0.47 -1.19 113.62 115.40 1j3s n SER 15 Ca 0.30 0.05 -0.21 0.00 -1.33 0.00 0.00 58.87 57.68 1j3s n SER 15 Cb 0.91 0.31 -0.14 0.00 -0.75 0.00 0.00 64.21 64.53 1j3s n SER 15 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1j3s h GLN 16 N 0.00 0.28 0.07 -1.46 7.50 -1.84 -3.26 115.11 116.40 1j3s h GLN 16 Ca 0.00 -0.48 -0.33 0.00 0.50 0.00 0.00 58.65 58.34 1j3s h GLN 16 Cb 0.75 0.18 -0.03 0.00 0.05 0.00 0.00 27.48 28.42 1j3s h GLN 16 CO 0.00 1.23 -1.85 0.00 -1.50 0.00 0.00 178.83 176.71 1j3s s HIS 18 N -2.58 3.78 -0.89 0.00 3.76 -0.33 0.70 115.29 119.74 1j3s s HIS 18 Ca -0.13 -3.15 -0.25 0.00 -0.15 0.00 0.00 55.06 51.38 1j3s s HIS 18 Cb 0.07 -3.05 0.04 0.00 1.11 0.00 0.00 32.58 30.75 1j3s s HIS 18 CO 0.80 -0.67 1.39 0.95 -0.85 0.00 0.00 174.74 176.36 1j3s s THR 19 N -1.39 3.82 -1.54 1.30 -4.23 -1.23 -4.20 115.64 108.17 1j3s s THR 19 Ca 0.26 -0.22 0.29 0.00 -1.18 0.00 0.00 61.69 60.84 1j3s s THR 19 Cb -0.06 -4.97 0.40 0.00 1.34 0.00 0.00 72.50 69.22 1j3s s THR 19 CO -0.14 -1.87 1.83 1.33 -0.54 0.00 0.00 174.62 175.23 1j3s n VAL 20 N 6.69 0.00 -1.37 2.29 0.24 -1.26 -3.55 118.33 121.36 1j3s n VAL 20 Ca 0.20 -0.05 0.05 0.00 -2.04 0.00 0.00 64.34 62.49 1j3s n VAL 20 Cb 0.50 -0.11 0.20 0.00 -1.47 0.00 0.00 33.84 32.96 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 -1.04 1.72 -0.13 7.34 1.02 -1.26 -4.69 120.64 123.60 1j3s n GLU 21 Ca 0.13 -3.06 -0.27 0.00 -0.02 0.00 0.00 57.16 53.95 1j3s n GLU 21 Cb 0.29 -1.67 -0.09 0.00 -0.02 0.00 0.00 31.44 29.95 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 -1.13 0.57 0.00 3.49 4.81 -1.23 -5.05 118.16 119.62 1j3s n LYS 22 Ca 0.22 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 1j3s n LYS 22 Cb 0.79 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 34.37 1j3s n LYS 22 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1j3s n GLY 23 N 1.31 -0.19 2.33 3.14 0.00 -1.26 -4.83 105.19 105.69 1j3s n GLY 23 Ca -0.49 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 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 0.62 3.55 -0.02 0.00 -1.26 -4.96 105.19 103.12 1j3s n GLY 24 Ca 0.00 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.94 3.61 -0.42 1.61 2.47 -1.26 -4.97 119.74 116.84 1j3s s LYS 25 Ca 0.00 -0.33 0.02 0.00 -1.56 0.00 0.00 55.97 54.09 1j3s s LYS 25 Cb 0.00 -3.79 0.14 0.00 -1.46 0.00 0.00 37.83 32.71 1j3s s LYS 25 CO 0.00 -0.53 0.23 -3.38 0.16 0.00 0.00 175.35 171.83 1j3s s HIS 26 N 2.10 1.75 -0.02 4.03 -3.43 -1.26 -4.40 115.29 114.06 1j3s s HIS 26 Ca 0.13 -2.28 -0.00 0.00 -0.80 0.00 0.00 55.06 52.11 1j3s s HIS 26 Cb -0.16 -1.71 -0.00 0.00 -1.43 0.00 0.00 32.58 29.28 1j3s s HIS 26 CO 0.12 -0.79 -0.01 -0.22 -2.00 0.00 0.00 174.74 171.84 1j3s h LYS 27 N 6.78 0.00 0.00 -0.38 1.63 -1.92 -3.45 116.57 119.23 1j3s h LYS 27 Ca 0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1j3s h LYS 27 Cb 0.94 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.56 1j3s h LYS 27 CO 0.44 0.00 -0.53 2.41 -3.45 0.00 0.00 179.45 178.33 1j3s n THR 28 N -2.48 1.42 -3.39 1.00 -1.04 -1.26 -4.92 114.28 103.60 1j3s n THR 28 Ca -0.00 0.21 -0.33 0.00 -2.04 0.00 0.00 64.05 61.89 1j3s n THR 28 Cb 0.01 -2.39 -0.05 0.00 -1.82 0.00 0.00 70.33 66.08 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 -4.26 2.32 0.26 3.41 0.00 0.22 -4.99 107.32 104.29 1j3s s GLY 29 Ca -0.15 -0.22 -0.30 0.00 0.00 0.00 0.00 44.72 44.05 1j3s s GLY 29 CO 0.23 -0.05 1.41 2.56 0.00 0.00 0.00 173.10 177.24 1j3s s PRO 30 N -2.66 4.29 -0.69 2.90 0.04 -1.25 -4.44 135.00 133.19 1j3s s PRO 30 Ca 0.46 2.27 -0.28 0.00 0.04 0.00 0.00 61.00 63.50 1j3s s PRO 30 Cb -0.12 -3.11 -0.13 0.00 0.04 0.00 0.00 34.50 31.19 1j3s s PRO 30 CO 0.20 -0.37 2.52 -1.71 0.04 0.00 0.00 177.00 177.69 1j3s n ASN 31 N 2.02 1.51 -3.76 6.66 2.85 -1.26 -4.67 115.26 118.60 1j3s n ASN 31 Ca 0.05 -0.29 -0.42 0.00 -0.11 0.00 0.00 54.58 53.81 1j3s n ASN 31 Cb 0.41 -1.33 0.00 0.00 1.24 0.00 0.00 39.78 40.10 1j3s n ASN 31 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1j3s n LEU 32 N 13.91 6.81 -0.05 1.20 4.32 -1.26 -4.59 117.00 137.35 1j3s n LEU 32 Ca 0.48 -4.25 -0.21 0.00 -0.02 0.00 0.00 56.01 52.00 1j3s n LEU 32 Cb 0.35 -1.62 -0.13 0.00 -1.62 0.00 0.00 43.42 40.40 1j3s n LEU 32 CO 0.80 1.17 -0.56 -0.74 -1.22 0.00 0.00 177.39 176.83 1j3s h HIS 33 N 5.95 0.24 -0.41 -1.77 2.76 -1.89 -3.42 115.15 116.61 1j3s h HIS 33 Ca 0.53 -0.18 -0.25 0.00 -2.20 0.00 0.00 60.37 58.27 1j3s h HIS 33 Cb 0.64 -0.01 -0.40 0.00 1.55 0.00 0.00 27.41 29.19 1j3s h HIS 33 CO 1.41 1.58 -1.09 0.41 -1.30 0.00 0.00 177.93 178.95 1j3s n GLY 34 N 1.67 2.04 0.39 5.26 0.00 -1.26 -4.74 105.19 108.54 1j3s n GLY 34 Ca -0.30 -1.15 0.21 0.00 0.00 0.00 0.00 46.02 44.78 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 2.41 0.00 -9.79 0.99 5.85 -1.87 -3.36 115.31 109.54 1j3s h LEU 35 Ca -0.11 0.00 -0.52 0.00 0.84 0.00 0.00 57.88 58.08 1j3s h LEU 35 Cb 1.35 0.00 0.06 0.00 0.37 0.00 0.00 40.66 42.44 1j3s h LEU 35 CO 0.21 0.00 0.70 -0.36 -0.34 0.00 0.00 178.44 178.65 1j3s s PHE 36 N -4.85 3.05 -1.39 1.25 0.40 -1.26 -1.84 117.98 113.34 1j3s s PHE 36 Ca -0.05 1.19 0.00 0.00 -0.60 0.00 0.00 56.93 57.47 1j3s s PHE 36 Cb 0.18 -3.75 0.00 0.00 0.51 0.00 0.00 43.02 39.96 1j3s s PHE 36 CO 0.66 -2.30 0.00 0.41 0.70 0.00 0.00 175.22 174.69 1j3s n GLY 37 N 1.70 1.30 2.96 4.36 0.00 -1.18 -4.95 105.19 109.38 1j3s n GLY 37 Ca 0.04 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.03 0.76 0.62 1.61 3.52 -0.77 -5.03 118.95 116.64 1j3s s ARG 38 Ca 0.00 -0.22 -0.10 0.00 -0.13 0.00 0.00 55.73 55.27 1j3s s ARG 38 Cb 0.00 -0.73 0.16 0.00 -1.56 0.00 0.00 34.95 32.81 1j3s s ARG 38 CO 0.00 0.07 0.45 1.63 -0.81 0.00 0.00 175.30 176.64 1j3s n LYS 39 N 3.36 -2.70 0.00 5.12 4.01 -1.26 -3.61 118.16 123.08 1j3s n LYS 39 Ca -0.18 -0.73 0.00 0.00 -0.51 0.00 0.00 58.31 56.88 1j3s n LYS 39 Cb 0.55 -0.81 0.00 0.00 -0.51 0.00 0.00 35.03 34.25 1j3s n LYS 39 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1j3s n THR 40 N -3.96 0.00 -4.40 -0.18 -2.24 -1.26 -4.80 114.28 97.43 1j3s n THR 40 Ca 0.07 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.64 1j3s n THR 40 Cb 0.27 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.41 1j3s n THR 40 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1j3s s GLY 41 N -1.35 2.23 -0.41 3.38 0.00 -1.26 -5.03 107.32 104.88 1j3s s GLY 41 Ca 0.00 -1.65 0.07 0.00 0.00 0.00 0.00 44.72 43.14 1j3s s GLY 41 CO 0.00 -1.68 1.25 0.61 0.00 0.00 0.00 173.10 173.28 1j3s n GLN 42 N -0.69 1.02 -0.88 2.90 0.00 -1.26 -4.34 117.38 114.12 1j3s n GLN 42 Ca -0.01 -1.74 -0.37 0.00 0.00 0.00 0.00 57.00 54.88 1j3s n GLN 42 Cb 0.65 -0.42 0.08 0.00 0.00 0.00 0.00 30.24 30.55 1j3s n GLN 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1j3s n ALA 43 N -0.18 -5.23 0.04 2.61 0.00 -0.98 -4.79 120.51 111.98 1j3s n ALA 43 Ca -0.01 -1.35 -0.02 0.00 0.00 0.00 0.00 53.44 52.06 1j3s n ALA 43 Cb 0.78 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 19.16 1j3s n ALA 43 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1j3s h PRO 44 N -1.38 -0.12 -0.03 0.00 0.13 -2.02 -3.30 132.00 125.27 1j3s h PRO 44 Ca -0.44 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1j3s h PRO 44 Cb 1.38 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.54 1j3s h PRO 44 CO 0.27 -0.08 0.00 0.41 -0.23 0.00 0.00 178.00 178.37 1j3s n GLY 45 N 1.14 -0.85 2.78 1.56 0.00 -1.26 -4.53 105.19 104.03 1j3s n GLY 45 Ca -0.02 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.97 1.75 -1.14 1.61 6.14 -1.24 -5.04 117.35 117.46 1j3s s TYR 46 Ca 0.16 -1.59 -0.22 0.00 0.64 0.00 0.00 57.07 56.07 1j3s s TYR 46 Cb 0.08 -1.59 -0.00 0.00 0.42 0.00 0.00 41.96 40.87 1j3s s TYR 46 CO 0.13 -0.80 1.78 0.45 0.64 0.00 0.00 175.55 177.74 1j3s s SER 47 N 1.61 5.93 0.84 4.32 0.15 -1.26 -2.33 113.70 122.95 1j3s s SER 47 Ca 0.05 -1.70 -0.13 0.00 0.70 0.00 0.00 55.95 54.87 1j3s s SER 47 Cb -0.18 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 61.57 1j3s s SER 47 CO -0.17 -2.09 -0.28 -1.22 1.20 0.00 0.00 173.24 170.68 1j3s n TYR 48 N 11.27 -1.63 -1.56 3.44 4.02 -1.26 -4.42 117.16 127.02 1j3s n TYR 48 Ca 0.43 0.41 -0.13 0.00 -0.01 0.00 0.00 57.90 58.60 1j3s n TYR 48 Cb 0.47 -1.40 -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 -3.69 0.00 -0.33 -0.72 -1.04 -1.26 -4.70 114.28 102.54 1j3s n THR 49 Ca 0.01 -0.35 0.12 0.00 -2.04 0.00 0.00 64.05 61.80 1j3s n THR 49 Cb 0.35 -1.93 0.34 0.00 -1.82 0.00 0.00 70.33 67.28 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 12.31 1.75 -0.17 2.41 0.00 -1.87 -2.35 119.26 131.33 1j3s h ALA 50 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1j3s h ALA 50 Cb 1.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1j3s h ALA 50 CO 1.02 -0.06 0.00 0.00 0.00 0.00 0.00 179.25 180.21 1j3s n ALA 51 N -2.38 -0.22 -0.26 0.00 0.00 -1.26 -1.51 120.51 114.88 1j3s n ALA 51 Ca 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.61 1j3s n ALA 51 Cb 0.52 0.26 0.02 0.00 0.00 0.00 0.00 19.45 20.25 1j3s n ALA 51 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1j3s h ASN 52 N 0.00 -1.26 -1.00 0.00 -0.00 -1.84 0.22 115.58 111.70 1j3s h ASN 52 Ca 0.00 0.25 0.28 0.00 -0.00 0.00 0.00 56.30 56.83 1j3s h ASN 52 Cb 0.00 0.64 -0.19 0.00 -0.00 0.00 0.00 38.32 38.77 1j3s h ASN 52 CO 0.00 -0.30 0.02 0.50 -0.00 0.00 0.00 177.43 177.65 1j3s h LYS 53 N -0.11 0.00 -0.01 6.67 1.63 -0.87 0.68 116.57 124.56 1j3s h LYS 53 Ca 0.27 -0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.86 1j3s h LYS 53 Cb 0.56 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.19 1j3s h LYS 53 CO -0.78 0.00 -0.89 -0.97 -3.45 0.00 0.00 179.45 173.36 1j3s h ASN 54 N 0.00 0.41 0.00 4.20 -1.24 0.49 -3.03 115.58 116.42 1j3s h ASN 54 Ca 0.61 -0.32 0.00 0.00 0.71 0.00 0.00 56.30 57.29 1j3s h ASN 54 Cb 1.25 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 40.18 1j3s h ASN 54 CO -0.94 1.12 0.28 0.50 -1.29 0.00 0.00 177.43 177.10 1j3s h LYS 55 N 0.19 0.00 -5.03 6.67 1.63 0.15 -3.44 116.57 116.74 1j3s h LYS 55 Ca -0.06 0.00 -0.24 0.00 -0.85 0.00 0.00 60.65 59.50 1j3s h LYS 55 Cb 1.51 0.00 0.15 0.00 -0.60 0.00 0.00 32.23 33.30 1j3s h LYS 55 CO 0.15 0.00 -0.67 0.41 -3.45 0.00 0.00 179.45 175.89 1j3s n GLY 56 N -1.24 -0.48 3.63 5.01 0.00 -1.06 -5.00 105.19 106.05 1j3s n GLY 56 Ca -0.02 0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.31 4.08 -0.50 -0.61 -1.16 -1.26 -5.07 121.20 113.37 1j3s s ILE 57 Ca 0.17 -0.33 -0.17 0.00 -0.51 0.00 0.00 60.65 59.81 1j3s s ILE 57 Cb -0.02 -2.71 0.08 0.00 0.61 0.00 0.00 42.46 40.42 1j3s s ILE 57 CO 0.61 0.59 0.49 -0.51 -2.81 0.00 0.00 174.94 173.30 1j3s s ILE 58 N -0.67 5.11 -0.64 2.00 -1.16 -1.26 -4.11 121.20 120.47 1j3s s ILE 58 Ca 0.10 -0.97 -0.31 0.00 -0.51 0.00 0.00 60.65 58.96 1j3s s ILE 58 Cb -0.12 -4.23 -0.14 0.00 0.61 0.00 0.00 42.46 38.58 1j3s s ILE 58 CO 0.02 -0.72 2.45 0.79 -2.81 0.00 0.00 174.94 174.67 1j3s n TRP 59 N 5.54 1.14 -3.41 3.50 5.03 -1.24 -4.80 117.44 123.20 1j3s n TRP 59 Ca -0.11 0.30 0.00 0.00 3.03 0.00 0.00 57.50 60.72 1j3s n TRP 59 Cb 0.44 -2.49 0.00 0.00 -1.03 0.00 0.00 31.31 28.22 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 6.42 5.96 0.13 6.99 0.00 -1.26 -3.11 105.19 120.32 1j3s n GLY 60 Ca 0.50 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.47 1j3s n GLY 60 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1j3s h GLU 61 N 0.00 -0.19 -0.12 1.61 5.08 -1.99 -2.70 114.58 116.27 1j3s h GLU 61 Ca 0.00 0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.15 1j3s h GLU 61 Cb 0.00 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.30 1j3s h GLU 61 CO 0.00 0.18 -0.80 0.22 -1.00 0.00 0.00 179.01 177.61 1j3s h ASP 62 N -0.95 0.85 -0.81 1.42 3.58 -1.97 -1.82 116.42 116.73 1j3s h ASP 62 Ca -0.02 -0.57 0.02 0.00 0.42 0.00 0.00 57.03 56.88 1j3s h ASP 62 Cb 0.47 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 41.22 1j3s h ASP 62 CO 0.03 1.37 0.53 0.71 -2.88 0.00 0.00 179.24 179.00 1j3s h THR 63 N 0.47 1.17 0.06 2.25 1.35 -1.87 -1.92 112.91 114.42 1j3s h THR 63 Ca -0.06 -0.36 -0.25 0.00 -0.55 0.00 0.00 66.41 65.19 1j3s h THR 63 Cb 1.43 0.03 0.01 0.00 -1.73 0.00 0.00 68.15 67.89 1j3s h THR 63 CO 0.16 0.19 -1.07 0.25 -0.25 0.00 0.00 175.52 174.80 1j3s h LEU 64 N 1.05 0.54 -2.08 3.87 6.46 -1.44 -2.67 115.31 121.04 1j3s h LEU 64 Ca 0.31 -0.48 0.08 0.00 -0.12 0.00 0.00 57.88 57.67 1j3s h LEU 64 Cb -0.05 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.70 1j3s h LEU 64 CO -0.08 1.31 0.22 -0.03 -0.62 0.00 0.00 178.44 179.24 1j3s h MET 65 N 0.18 0.00 0.00 1.25 4.05 -0.57 0.89 114.93 120.73 1j3s h MET 65 Ca -0.11 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.27 1j3s h MET 65 Cb 1.74 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.53 1j3s h MET 65 CO 0.18 0.00 -0.28 1.49 0.23 0.00 0.00 176.91 178.53 1j3s h GLU 66 N 0.00 0.00 0.00 0.39 4.81 -1.32 -1.08 114.58 117.37 1j3s h GLU 66 Ca 0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1j3s h GLU 66 Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1j3s h GLU 66 CO -0.00 0.68 0.05 -0.92 -0.73 0.00 0.00 179.01 178.09 1j3s h TYR 67 N -1.00 0.00 0.03 0.92 3.20 -1.10 -1.12 116.97 117.91 1j3s h TYR 67 Ca -0.07 0.00 -0.36 0.00 3.14 0.00 0.00 58.73 61.44 1j3s h TYR 67 Cb 0.78 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.00 1j3s h TYR 67 CO 0.14 0.00 -2.22 -0.11 -1.64 0.00 0.00 178.16 174.32 1j3s n LEU 68 N -2.69 1.89 0.30 2.82 7.94 0.27 -1.57 117.00 125.96 1j3s n LEU 68 Ca -0.02 0.06 0.18 0.00 -1.11 0.00 0.00 56.01 55.12 1j3s n LEU 68 Cb 0.10 -0.48 0.99 0.00 0.53 0.00 0.00 43.42 44.57 1j3s n LEU 68 CO 0.15 0.73 1.15 -0.08 -1.11 0.00 0.00 177.39 178.23 1j3s h GLU 69 N 0.02 0.00 -0.20 1.96 4.81 0.05 -3.38 114.58 117.84 1j3s h GLU 69 Ca -0.49 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 58.85 1j3s h GLU 69 Cb 2.03 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 31.24 1j3s h GLU 69 CO 0.01 0.00 -0.11 1.21 -0.73 0.00 0.00 179.01 179.39 1j3s s ASN 70 N -5.76 -0.31 0.12 1.04 3.84 -0.83 -4.71 114.94 108.33 1j3s s ASN 70 Ca -0.05 -0.18 -0.08 0.00 0.21 0.00 0.00 52.86 52.76 1j3s s ASN 70 Cb 0.14 0.39 -0.10 0.00 -0.55 0.00 0.00 41.25 41.14 1j3s s ASN 70 CO 0.50 -0.03 1.32 1.55 -2.79 0.00 0.00 177.10 177.64 1j3s h PRO 71 N 5.22 0.57 0.00 0.43 0.13 -1.47 -1.24 132.00 135.65 1j3s h PRO 71 Ca -0.03 -0.53 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1j3s h PRO 71 Cb 1.23 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1j3s h PRO 71 CO -0.08 1.16 0.00 1.17 -0.23 0.00 0.00 178.00 180.02 1j3s n LYS 72 N -3.84 0.16 -0.09 0.86 4.81 -1.26 -1.35 118.16 117.44 1j3s n LYS 72 Ca -0.07 0.45 -0.11 0.00 -0.87 0.00 0.00 58.31 57.71 1j3s n LYS 72 Cb 0.79 -1.84 -0.15 0.00 0.02 0.00 0.00 35.03 33.84 1j3s n LYS 72 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1j3s n LYS 73 N -2.15 0.68 0.00 1.64 3.00 -1.07 -4.66 118.16 115.60 1j3s n LYS 73 Ca 0.01 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 1j3s n LYS 73 Cb 0.18 -1.55 0.00 0.00 0.00 0.00 0.00 35.03 33.65 1j3s n LYS 73 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1j3s n TYR 74 N -2.87 0.00 -2.81 5.64 9.36 -0.49 -4.76 117.16 121.24 1j3s n TYR 74 Ca -0.33 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.46 1j3s n TYR 74 Cb 1.12 -0.31 -0.04 0.00 -0.63 0.00 0.00 39.34 39.49 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 -0.74 4.62 -1.16 2.97 -1.09 -0.46 -4.96 121.20 120.39 1j3s s ILE 75 Ca 0.00 1.30 -0.21 0.00 -2.23 0.00 0.00 60.65 59.51 1j3s s ILE 75 Cb 0.00 -4.31 0.03 0.00 -1.58 0.00 0.00 42.46 36.61 1j3s s ILE 75 CO 0.00 -0.46 1.68 -2.16 -1.23 0.00 0.00 174.94 172.78 1j3s s PRO 76 N 3.38 3.55 0.00 2.79 0.04 -1.26 -2.87 135.00 140.63 1j3s s PRO 76 Ca 0.38 -1.45 0.00 0.00 0.04 0.00 0.00 61.00 59.97 1j3s s PRO 76 Cb -0.12 -5.40 0.00 0.00 0.04 0.00 0.00 34.50 29.01 1j3s s PRO 76 CO 0.17 -2.55 0.00 0.41 0.04 0.00 0.00 177.00 175.06 1j3s n GLY 77 N 6.08 0.10 3.42 0.56 0.00 -1.26 -4.88 105.19 109.22 1j3s n GLY 77 Ca 0.42 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.02 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 1.58 -0.76 2.61 5.66 -1.14 -4.85 114.28 117.38 1j3s n THR 78 Ca 0.00 -0.50 0.08 0.00 -3.05 0.00 0.00 64.05 60.58 1j3s n THR 78 Cb 0.00 -0.39 0.32 0.00 -1.55 0.00 0.00 70.33 68.71 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 0.81 3.71 -1.71 1.09 4.76 -1.26 -4.96 118.16 120.61 1j3s n LYS 79 Ca 0.12 -2.86 -0.42 0.00 -2.87 0.00 0.00 58.31 52.28 1j3s n LYS 79 Cb 0.37 -1.91 -0.03 0.00 -1.84 0.00 0.00 35.03 31.62 1j3s n LYS 79 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1j3s s MET 80 N -2.30 4.14 -0.16 1.97 -1.94 -1.26 -4.83 119.30 114.92 1j3s s MET 80 Ca 0.46 2.60 0.08 0.00 -1.71 0.00 0.00 55.69 57.12 1j3s s MET 80 Cb 0.33 -3.68 0.49 0.00 2.01 0.00 0.00 34.83 33.98 1j3s s MET 80 CO 0.17 -0.86 1.30 -0.89 -0.01 0.00 0.00 175.02 174.72 1j3s n ILE 81 N 4.85 1.77 -0.67 2.53 5.41 -1.26 -4.94 119.36 127.05 1j3s n ILE 81 Ca 0.18 -0.89 -0.31 0.00 1.00 0.00 0.00 62.75 62.73 1j3s n ILE 81 Cb 0.39 -0.41 0.17 0.00 -0.71 0.00 0.00 39.64 39.08 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 0.26 0.71 0.04 1.39 7.35 -1.26 -4.95 117.46 121.00 1j3s n PHE 82 Ca 0.19 0.38 -0.19 0.00 -0.76 0.00 0.00 57.45 57.07 1j3s n PHE 82 Cb 0.88 -1.98 -0.14 0.00 0.35 0.00 0.00 39.48 38.58 1j3s n PHE 82 CO 0.00 0.00 0.00 -0.39 -0.76 0.00 0.00 176.76 175.61 1j3s h VAL 83 N -1.92 0.90 0.00 -2.13 -1.51 -2.01 -3.50 116.25 106.09 1j3s h VAL 83 Ca -0.44 -2.56 0.00 0.00 -1.23 0.00 0.00 66.70 62.47 1j3s h VAL 83 Cb 1.27 2.66 0.00 0.00 -2.13 0.00 0.00 31.29 33.09 1j3s h VAL 83 CO 0.41 0.82 0.00 0.61 -1.23 0.00 0.00 177.57 178.18 1j3s n GLY 84 N 1.81 2.51 3.84 5.19 0.00 -1.26 -5.12 105.19 112.16 1j3s n GLY 84 Ca -0.24 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.75 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 5.16 -0.00 -0.61 -1.09 -1.26 -4.98 121.20 118.42 1j3s s ILE 85 Ca 0.00 -0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.34 1j3s s ILE 85 Cb 0.00 -3.31 0.00 0.00 -1.58 0.00 0.00 42.46 37.57 1j3s s ILE 85 CO 0.00 0.48 0.64 1.17 -1.23 0.00 0.00 174.94 176.00 1j3s n LYS 86 N 1.56 0.70 -3.55 2.79 4.81 -1.26 -4.50 118.16 118.70 1j3s n LYS 86 Ca -0.16 -0.77 -0.38 0.00 -0.87 0.00 0.00 58.31 56.14 1j3s n LYS 86 Cb 0.54 -0.62 -0.10 0.00 0.02 0.00 0.00 35.03 34.87 1j3s n LYS 86 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1j3s s LYS 87 N -0.26 4.04 0.51 1.64 1.02 -1.26 -4.93 119.74 120.51 1j3s s LYS 87 Ca 0.00 -0.16 0.29 0.00 0.02 0.00 0.00 55.97 56.12 1j3s s LYS 87 Cb 0.00 -3.59 1.57 0.00 -0.52 0.00 0.00 37.83 35.29 1j3s s LYS 87 CO 0.00 -0.08 1.86 -0.22 -0.92 0.00 0.00 175.35 176.00 1j3s h LYS 88 N 7.84 0.00 0.68 1.68 3.64 -1.98 -2.44 116.57 125.99 1j3s h LYS 88 Ca -0.36 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.99 1j3s h LYS 88 Cb 1.17 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1j3s h LYS 88 CO 0.63 0.00 -0.33 1.49 -2.27 0.00 0.00 179.45 178.98 1j3s h GLU 89 N 0.00 -0.88 -0.09 1.90 4.22 -1.99 -0.75 114.58 116.98 1j3s h GLU 89 Ca 0.00 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.50 1j3s h GLU 89 Cb 0.30 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1j3s h GLU 89 CO 0.00 -0.59 0.06 1.49 -2.18 0.00 0.00 179.01 177.80 1j3s h GLU 90 N -1.11 0.13 -0.89 1.92 4.57 -1.87 -1.85 114.58 115.48 1j3s h GLU 90 Ca -0.09 -0.01 0.17 0.00 -1.18 0.00 0.00 59.36 58.25 1j3s h GLU 90 Cb 0.70 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.19 1j3s h GLU 90 CO 0.15 0.09 0.58 0.00 -1.18 0.00 0.00 179.01 178.65 1j3s h ARG 91 N 0.12 0.53 -0.04 1.92 3.08 -1.54 -0.60 114.38 117.85 1j3s h ARG 91 Ca 0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1j3s h ARG 91 Cb -0.00 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 1j3s h ARG 91 CO -0.01 0.35 -0.02 0.00 -1.07 0.00 0.00 179.97 179.22 1j3s h ALA 92 N 1.61 0.05 0.00 0.04 0.00 -0.35 -2.93 119.26 117.69 1j3s h ALA 92 Ca 0.46 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1j3s h ALA 92 Cb 0.93 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1j3s h ALA 92 CO -0.20 -0.20 -0.07 -0.44 0.00 0.00 0.00 179.25 178.35 1j3s h ASP 93 N -0.34 0.00 0.57 0.00 5.19 -0.58 -1.47 116.42 119.79 1j3s h ASP 93 Ca 0.01 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.39 1j3s h ASP 93 Cb 0.48 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.00 1j3s h ASP 93 CO 0.01 0.07 -0.27 -0.07 -3.12 0.00 0.00 179.24 175.85 1j3s h LEU 94 N 0.00 -0.65 -1.60 1.55 3.38 -0.97 -2.95 115.31 114.07 1j3s h LEU 94 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1j3s h LEU 94 Cb 0.20 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1j3s h LEU 94 CO 0.01 -0.25 0.05 0.40 0.09 0.00 0.00 178.44 178.75 1j3s h ILE 95 N -1.18 1.11 -0.04 1.22 5.03 -1.41 -2.68 117.51 119.57 1j3s h ILE 95 Ca -0.08 -0.39 0.04 0.00 -0.12 0.00 0.00 64.86 64.31 1j3s h ILE 95 Cb 0.61 0.89 -0.05 0.00 -3.03 0.00 0.00 36.82 35.23 1j3s h ILE 95 CO 0.13 0.14 -0.25 0.00 -0.68 0.00 0.00 178.15 177.49 1j3s h ALA 96 N 1.75 -0.30 -0.33 1.87 0.00 -1.23 1.30 119.26 122.33 1j3s h ALA 96 Ca 0.08 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1j3s h ALA 96 Cb 0.13 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1j3s h ALA 96 CO -0.00 -0.74 -0.04 -0.92 0.00 0.00 0.00 179.25 177.55 1j3s h TYR 97 N -0.36 0.67 0.00 0.00 3.20 -1.33 -1.72 116.97 117.43 1j3s h TYR 97 Ca 0.07 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1j3s h TYR 97 Cb 0.47 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.57 1j3s h TYR 97 CO -0.31 0.76 0.00 1.28 -1.64 0.00 0.00 178.16 178.25 1j3s n LEU 98 N -4.48 0.00 -0.00 2.82 7.99 -1.01 -1.65 117.00 120.66 1j3s n LEU 98 Ca -0.02 0.20 0.10 0.00 -0.01 0.00 0.00 56.01 56.28 1j3s n LEU 98 Cb 0.30 -0.20 -0.14 0.00 -0.11 0.00 0.00 43.42 43.27 1j3s n LEU 98 CO 0.40 -0.04 -0.41 1.17 -1.51 0.00 0.00 177.39 177.00 1j3s n LYS 99 N -1.20 0.42 -0.08 3.23 0.00 0.44 -3.70 118.16 117.27 1j3s n LYS 99 Ca 0.14 -0.10 -0.09 0.00 0.00 0.00 0.00 58.31 58.26 1j3s n LYS 99 Cb 0.16 -1.49 -0.13 0.00 0.00 0.00 0.00 35.03 33.58 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 -1.87 1.22 0.05 1.64 4.81 -0.71 -3.27 118.16 120.03 1j3s n LYS 100 Ca -0.00 0.01 -0.06 0.00 -0.87 0.00 0.00 58.31 57.39 1j3s n LYS 100 Cb 0.44 -1.42 -0.04 0.00 0.02 0.00 0.00 35.03 34.03 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 0.73 -0.23 0.02 3.14 0.00 -1.52 -3.16 119.26 118.23 1j3s h ALA 101 Ca -0.45 -0.12 -0.27 0.00 0.00 0.00 0.00 54.91 54.06 1j3s h ALA 101 Cb 1.99 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.83 1j3s h ALA 101 CO 0.01 -0.23 -1.50 -2.37 0.00 0.00 0.00 179.25 175.16 1j3s n THR 102 N -4.92 1.57 0.76 0.00 5.66 -1.25 -4.04 114.28 112.06 1j3s n THR 102 Ca -0.05 -0.15 0.07 0.00 -3.05 0.00 0.00 64.05 60.88 1j3s n THR 102 Cb 0.16 -1.98 0.39 0.00 -1.55 0.00 0.00 70.33 67.35 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 -4.28 0.00 0.00 1.09 4.05 -1.24 -5.06 115.26 109.82 1j3s n ASN 103 Ca -0.35 -0.06 0.00 0.00 0.45 0.00 0.00 54.58 54.62 1j3s n ASN 103 Cb 0.75 -0.21 0.00 0.00 1.23 0.00 0.00 39.78 41.55 1j3s n ASN 103 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59