#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 4.51 0.14 1.61 1.01 -1.26 -4.85 116.67 117.83 1j3s s ASP 2 Ca 0.00 -0.44 -0.04 0.00 0.71 0.00 0.00 52.55 52.78 1j3s s ASP 2 Cb 0.00 0.02 -0.05 0.00 1.01 0.00 0.00 42.92 43.89 1j3s s ASP 2 CO 0.00 -1.75 1.34 1.62 0.21 0.00 0.00 175.17 176.59 1j3s h VAL 3 N -0.38 1.39 -0.05 -1.27 3.04 -1.95 -2.65 116.25 114.39 1j3s h VAL 3 Ca -0.35 -2.34 -0.07 0.00 -1.01 0.00 0.00 66.70 62.93 1j3s h VAL 3 Cb 1.27 2.31 0.00 0.00 -2.01 0.00 0.00 31.29 32.86 1j3s h VAL 3 CO 0.41 0.70 -0.26 1.05 -1.01 0.00 0.00 177.57 178.45 1j3s h GLU 4 N 0.26 0.26 0.00 4.17 4.11 -1.97 -2.41 114.58 119.00 1j3s h GLU 4 Ca -0.06 -0.22 -0.05 0.00 0.07 0.00 0.00 59.36 59.10 1j3s h GLU 4 Cb 1.49 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 1j3s h GLU 4 CO 0.15 0.87 -0.22 -0.22 0.07 0.00 0.00 179.01 179.67 1j3s h LYS 5 N -0.29 0.00 0.04 1.06 1.63 -1.97 -3.02 116.57 114.03 1j3s h LYS 5 Ca -0.02 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1j3s h LYS 5 Cb 0.93 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.56 1j3s h LYS 5 CO 0.05 0.22 -0.02 0.78 -3.45 0.00 0.00 179.45 177.03 1j3s h GLY 6 N 0.74 -0.06 -0.91 5.01 0.00 -1.45 -2.98 103.07 103.42 1j3s h GLY 6 Ca -0.00 0.02 0.40 0.00 0.00 0.00 0.00 47.33 47.75 1j3s h GLY 6 CO 0.03 -0.02 0.85 1.70 0.00 0.00 0.00 176.54 179.10 1j3s h LYS 7 N -0.68 0.13 -0.04 4.80 3.64 -1.30 0.30 116.57 123.42 1j3s h LYS 7 Ca -0.01 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 1j3s h LYS 7 Cb 0.60 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1j3s h LYS 7 CO 0.01 0.09 -0.34 -0.22 -2.27 0.00 0.00 179.45 176.71 1j3s h LYS 8 N 0.14 0.31 -0.07 1.90 3.64 -1.56 -1.56 116.57 119.36 1j3s h LYS 8 Ca 0.76 -0.27 0.03 0.00 -1.27 0.00 0.00 60.65 59.89 1j3s h LYS 8 Cb 2.41 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 34.27 1j3s h LYS 8 CO -0.33 0.94 -0.08 0.82 -2.27 0.00 0.00 179.45 178.52 1j3s h ILE 9 N -0.23 0.76 -0.28 2.00 2.04 -0.30 -1.40 117.51 120.10 1j3s h ILE 9 Ca -0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1j3s h ILE 9 Cb 1.03 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1j3s h ILE 9 CO 0.07 0.00 0.10 0.15 0.00 0.00 0.00 178.15 178.47 1j3s h PHE 10 N -0.11 0.44 -0.92 1.37 3.04 -1.36 0.99 116.94 120.39 1j3s h PHE 10 Ca 0.06 -0.04 0.16 0.00 3.98 0.00 0.00 57.97 62.13 1j3s h PHE 10 Cb 0.20 -0.13 -0.08 0.00 2.56 0.00 0.00 35.95 38.50 1j3s h PHE 10 CO -0.19 0.45 0.59 0.97 -2.02 0.00 0.00 178.31 178.11 1j3s h ILE 11 N 0.30 0.78 -0.28 1.41 6.09 -0.94 -0.67 117.51 124.20 1j3s h ILE 11 Ca 0.09 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 63.36 1j3s h ILE 11 Cb 0.21 0.07 0.00 0.00 0.47 0.00 0.00 36.82 37.57 1j3s h ILE 11 CO -0.01 0.12 0.00 1.15 -3.07 0.00 0.00 178.15 176.34 1j3s n MET 12 N -4.58 2.10 -0.00 2.19 0.00 -0.56 -4.04 117.12 112.23 1j3s n MET 12 Ca 0.19 -1.89 -0.00 0.00 0.00 0.00 0.00 57.70 55.99 1j3s n MET 12 Cb 0.53 -1.34 -0.00 0.00 0.00 0.00 0.00 33.22 32.41 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 0.88 0.02 -1.96 3.17 3.00 0.34 -4.82 118.16 118.79 1j3s n LYS 13 Ca 0.13 0.01 -0.26 0.00 -0.00 0.00 0.00 58.31 58.19 1j3s n LYS 13 Cb 0.44 -0.31 0.03 0.00 0.00 0.00 0.00 35.03 35.19 1j3s n LYS 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1j3s h SER 15 N 2.19 0.00 -0.92 0.00 0.87 -1.36 -1.57 113.55 112.75 1j3s h SER 15 Ca 0.40 -0.36 0.10 0.00 -1.23 0.00 0.00 61.79 60.69 1j3s h SER 15 Cb 1.38 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.28 1j3s h SER 15 CO 0.89 1.12 0.60 0.06 -0.53 0.00 0.00 176.83 178.96 1j3s h GLN 16 N -1.00 0.91 0.00 2.24 3.07 -1.86 0.81 115.11 119.29 1j3s h GLN 16 Ca -0.17 -0.05 -0.12 0.00 0.09 0.00 0.00 58.65 58.39 1j3s h GLN 16 Cb 0.91 -0.21 -0.02 0.00 0.08 0.00 0.00 27.48 28.25 1j3s h GLN 16 CO -0.10 0.60 -1.05 0.00 0.09 0.00 0.00 178.83 178.37 1j3s n HIS 18 N -2.96 0.95 -2.40 0.00 8.25 -0.40 0.12 115.22 118.78 1j3s n HIS 18 Ca -0.05 -3.75 -0.38 0.00 -0.26 0.00 0.00 57.72 53.29 1j3s n HIS 18 Cb 0.76 -0.21 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 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 -0.94 3.73 -0.53 1.59 -4.23 0.14 -4.32 115.64 111.08 1j3s s THR 19 Ca 0.32 -0.39 0.01 0.00 -1.18 0.00 0.00 61.69 60.45 1j3s s THR 19 Cb 0.06 -4.71 0.08 0.00 1.34 0.00 0.00 72.50 69.27 1j3s s THR 19 CO -0.15 -1.62 0.85 1.33 -0.54 0.00 0.00 174.62 174.49 1j3s n VAL 20 N 7.05 0.73 -1.89 2.29 0.24 -1.26 -3.16 118.33 122.33 1j3s n VAL 20 Ca 0.28 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 1j3s n VAL 20 Cb 0.50 -0.68 0.00 0.00 -1.47 0.00 0.00 33.84 32.19 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 0.18 0.00 0.20 7.34 1.02 -1.26 -4.80 120.64 123.32 1j3s n GLU 21 Ca 0.05 -0.56 0.09 0.00 -0.02 0.00 0.00 57.16 56.72 1j3s n GLU 21 Cb 0.48 -0.31 0.23 0.00 -0.02 0.00 0.00 31.44 31.82 1j3s n GLU 21 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1j3s h LYS 22 N 0.00 0.00 0.00 3.49 1.63 -1.86 -3.47 116.57 116.36 1j3s h LYS 22 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1j3s h LYS 22 Cb 1.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1j3s h LYS 22 CO 0.00 0.19 0.00 0.41 -3.45 0.00 0.00 179.45 176.60 1j3s n GLY 23 N 0.87 1.92 0.00 5.01 0.00 -1.26 -4.63 105.19 107.09 1j3s n GLY 23 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.13 3.87 -0.02 0.00 -1.26 -5.14 105.19 102.78 1j3s n GLY 24 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 3.76 -0.00 1.61 2.20 -1.26 -4.92 119.74 121.12 1j3s s LYS 25 Ca 0.00 0.51 -0.01 0.00 -0.36 0.00 0.00 55.97 56.11 1j3s s LYS 25 Cb 0.00 -2.34 -0.00 0.00 -1.51 0.00 0.00 37.83 33.98 1j3s s LYS 25 CO 0.00 -0.13 0.02 -3.38 -0.36 0.00 0.00 175.35 171.50 1j3s s HIS 26 N -2.51 0.02 0.00 4.03 0.00 -1.26 -4.67 115.29 110.90 1j3s s HIS 26 Ca 0.52 -0.03 0.00 0.00 -3.00 0.00 0.00 55.06 52.55 1j3s s HIS 26 Cb -0.10 -0.02 0.00 0.00 -4.00 0.00 0.00 32.58 28.46 1j3s s HIS 26 CO 0.35 -0.05 0.00 1.17 -1.00 0.00 0.00 174.74 175.21 1j3s n LYS 27 N 2.81 0.00 0.00 -0.38 4.81 -1.26 -4.97 118.16 119.17 1j3s n LYS 27 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 1j3s n LYS 27 Cb 0.59 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.64 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 -0.57 0.00 -1.95 3.15 -1.04 -1.26 -4.88 114.28 107.73 1j3s n THR 28 Ca 0.00 0.21 -0.32 0.00 -2.04 0.00 0.00 64.05 61.90 1j3s n THR 28 Cb 0.00 -0.57 0.02 0.00 -1.82 0.00 0.00 70.33 67.96 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 -1.29 2.02 0.27 3.41 0.00 0.32 -4.99 107.32 107.05 1j3s s GLY 29 Ca 0.00 0.31 -0.29 0.00 0.00 0.00 0.00 44.72 44.74 1j3s s GLY 29 CO 0.00 0.63 1.24 2.56 0.00 0.00 0.00 173.10 177.53 1j3s s PRO 30 N -4.30 4.45 -0.69 2.90 0.04 -1.26 -4.60 135.00 131.55 1j3s s PRO 30 Ca 0.62 2.03 -0.31 0.00 0.04 0.00 0.00 61.00 63.39 1j3s s PRO 30 Cb -0.15 -3.15 -0.15 0.00 0.04 0.00 0.00 34.50 31.09 1j3s s PRO 30 CO 0.41 -0.09 2.49 -1.71 0.04 0.00 0.00 177.00 178.14 1j3s n ASN 31 N 1.56 1.33 -2.50 6.66 4.05 -1.26 -4.76 115.26 120.34 1j3s n ASN 31 Ca 0.02 -0.00 -0.23 0.00 0.45 0.00 0.00 54.58 54.82 1j3s n ASN 31 Cb 0.43 -1.21 -0.11 0.00 1.23 0.00 0.00 39.78 40.12 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 12.18 6.48 -4.26 1.20 4.32 -1.26 -4.76 117.00 130.90 1j3s n LEU 32 Ca 0.51 -3.73 -0.44 0.00 -0.02 0.00 0.00 56.01 52.33 1j3s n LEU 32 Cb 0.24 -1.42 0.00 0.00 -1.62 0.00 0.00 43.42 40.63 1j3s n LEU 32 CO 0.83 1.82 0.89 1.57 -1.22 0.00 0.00 177.39 181.28 1j3s n HIS 33 N 2.43 4.53 0.00 -1.77 -0.00 -1.26 -4.19 115.22 114.95 1j3s n HIS 33 Ca 0.54 -3.57 0.00 0.00 -0.00 0.00 0.00 57.72 54.68 1j3s n HIS 33 Cb 0.65 -1.61 0.00 0.00 -0.00 0.00 0.00 29.99 29.03 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 2.35 1.39 0.39 1.57 0.00 -1.26 -4.98 105.19 104.65 1j3s n GLY 34 Ca 0.25 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.47 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 0.00-10.11 0.99 6.46 -1.87 -3.40 115.31 107.38 1j3s h LEU 35 Ca 0.00 0.00 -0.55 0.00 -0.12 0.00 0.00 57.88 57.21 1j3s h LEU 35 Cb 0.00 0.00 0.14 0.00 -0.73 0.00 0.00 40.66 40.07 1j3s h LEU 35 CO 0.00 0.00 0.50 -0.36 -0.62 0.00 0.00 178.44 177.96 1j3s s PHE 36 N -4.83 2.18 -1.43 1.25 0.40 -1.26 -1.77 117.98 112.52 1j3s s PHE 36 Ca -0.05 1.49 0.00 0.00 -0.60 0.00 0.00 56.93 57.78 1j3s s PHE 36 Cb 0.18 -3.62 0.00 0.00 0.51 0.00 0.00 43.02 40.08 1j3s s PHE 36 CO 0.65 -2.69 0.00 0.41 0.70 0.00 0.00 175.22 174.29 1j3s n GLY 37 N 0.76 1.29 3.14 4.36 0.00 -1.21 -4.91 105.19 108.63 1j3s n GLY 37 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.07 0.82 0.00 1.61 3.52 -0.73 -5.02 118.95 116.09 1j3s s ARG 38 Ca 0.00 -1.36 0.00 0.00 -0.13 0.00 0.00 55.73 54.24 1j3s s ARG 38 Cb 0.00 0.09 0.00 0.00 -1.56 0.00 0.00 34.95 33.48 1j3s s ARG 38 CO 0.00 -0.15 0.00 1.63 -0.81 0.00 0.00 175.30 175.97 1j3s n LYS 39 N -0.03 2.72 0.00 5.12 4.76 -1.26 -2.01 118.16 127.46 1j3s n LYS 39 Ca -0.10 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 1j3s n LYS 39 Cb 0.62 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.81 1j3s n LYS 39 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1j3s n THR 40 N 0.00 0.00 -3.97 -0.18 -1.04 -1.26 -4.75 114.28 103.07 1j3s n THR 40 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1j3s n THR 40 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 1j3s n THR 40 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1j3s n GLY 41 N 0.00 2.76 1.95 3.41 0.00 -1.26 -5.03 105.19 107.02 1j3s n GLY 41 Ca 0.00 -1.62 -0.04 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.37 0.77 -0.97 1.61 0.00 -1.26 -4.42 117.38 112.73 1j3s n GLN 42 Ca 0.02 -1.02 -0.36 0.00 0.00 0.00 0.00 57.00 55.64 1j3s n GLN 42 Cb 0.37 0.43 0.05 0.00 0.00 0.00 0.00 30.24 31.09 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 -0.88 -5.22 -1.73 2.61 0.00 -1.25 -4.79 120.51 109.25 1j3s n ALA 43 Ca -0.20 -0.74 -0.32 0.00 0.00 0.00 0.00 53.44 52.17 1j3s n ALA 43 Cb 0.77 -1.19 -0.00 0.00 0.00 0.00 0.00 19.45 19.03 1j3s n ALA 43 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j3s s PRO 44 N -2.19 3.54 -1.71 0.00 0.04 -1.26 -3.11 135.00 130.30 1j3s s PRO 44 Ca 0.42 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1j3s s PRO 44 Cb -0.16 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1j3s s PRO 44 CO 0.80 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 177.62 1j3s n GLY 45 N -1.21 1.52 2.97 0.56 0.00 -1.26 -4.86 105.19 102.91 1j3s n GLY 45 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.37 -1.14 -1.23 1.61 6.14 -1.18 -5.06 117.35 114.12 1j3s s TYR 46 Ca 0.00 0.76 -0.20 0.00 0.64 0.00 0.00 57.07 58.27 1j3s s TYR 46 Cb 0.00 0.05 0.03 0.00 0.42 0.00 0.00 41.96 42.47 1j3s s TYR 46 CO 0.00 -0.90 1.75 -1.54 0.64 0.00 0.00 175.55 175.50 1j3s s SER 47 N 2.62 6.39 0.90 4.32 1.04 -1.26 -3.84 113.70 123.87 1j3s s SER 47 Ca 0.12 -2.13 -0.16 0.00 0.48 0.00 0.00 55.95 54.26 1j3s s SER 47 Cb -0.13 -2.58 -0.00 0.00 0.10 0.00 0.00 66.02 63.41 1j3s s SER 47 CO -0.24 -1.64 -0.42 -1.22 0.98 0.00 0.00 173.24 170.71 1j3s n TYR 48 N 9.81 -1.59 -1.56 5.02 4.02 -1.26 -4.43 117.16 127.17 1j3s n TYR 48 Ca 0.46 0.40 -0.13 0.00 -0.01 0.00 0.00 57.90 58.62 1j3s n TYR 48 Cb 0.47 -1.41 -0.08 0.00 -0.02 0.00 0.00 39.34 38.29 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 -3.78 0.00 -0.30 -0.72 -1.04 -1.26 -4.72 114.28 102.46 1j3s n THR 49 Ca 0.01 -0.41 0.03 0.00 -2.04 0.00 0.00 64.05 61.64 1j3s n THR 49 Cb 0.44 -1.91 0.18 0.00 -1.82 0.00 0.00 70.33 67.22 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 12.43 1.22 -0.67 2.41 0.00 -1.88 -2.36 119.26 130.41 1j3s h ALA 50 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1j3s h ALA 50 Cb 1.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1j3s h ALA 50 CO 1.02 0.12 0.00 0.00 0.00 0.00 0.00 179.25 180.40 1j3s n ALA 51 N -2.37 -0.18 -0.33 0.00 0.00 -1.26 -1.32 120.51 115.04 1j3s n ALA 51 Ca 0.14 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.67 1j3s n ALA 51 Cb 0.28 0.24 0.19 0.00 0.00 0.00 0.00 19.45 20.16 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 -2.14 -0.24 -0.01 0.00 5.03 -1.10 -1.21 115.26 115.59 1j3s n ASN 52 Ca 0.00 1.58 -0.00 0.00 0.87 0.00 0.00 54.58 57.03 1j3s n ASN 52 Cb 0.00 -0.52 -0.00 0.00 -1.02 0.00 0.00 39.78 38.24 1j3s n ASN 52 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 1j3s h LYS 53 N 0.00 -0.00 0.00 3.52 3.64 -0.67 0.34 116.57 123.40 1j3s h LYS 53 Ca 0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.87 1j3s h LYS 53 Cb 0.86 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1j3s h LYS 53 CO -0.92 -0.00 0.00 -2.95 -2.27 0.00 0.00 179.45 173.31 1j3s h ASN 54 N -0.00 0.00 0.15 4.20 7.08 -0.75 -1.78 115.58 124.48 1j3s h ASN 54 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1j3s h ASN 54 Cb 0.01 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.25 1j3s h ASN 54 CO -0.02 0.00 0.00 1.17 -2.08 0.00 0.00 177.43 176.50 1j3s n LYS 55 N -2.76 0.07 -3.71 4.14 3.00 0.12 -4.82 118.16 114.20 1j3s n LYS 55 Ca -0.01 0.51 -0.23 0.00 -0.00 0.00 0.00 58.31 58.57 1j3s n LYS 55 Cb 0.13 -1.70 0.05 0.00 0.00 0.00 0.00 35.03 33.51 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 -1.06 -0.39 3.65 3.14 0.00 -0.67 -4.96 105.19 104.90 1j3s n GLY 56 Ca 0.00 0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.48 4.50 -0.67 -0.61 -1.16 -1.26 -5.06 121.20 113.46 1j3s s ILE 57 Ca 0.26 -0.16 -0.17 0.00 -0.51 0.00 0.00 60.65 60.07 1j3s s ILE 57 Cb -0.12 -2.96 0.14 0.00 0.61 0.00 0.00 42.46 40.12 1j3s s ILE 57 CO 0.79 0.54 0.73 -0.51 -2.81 0.00 0.00 174.94 173.68 1j3s s ILE 58 N -0.24 5.06 -0.79 2.00 1.10 -1.26 -4.30 121.20 122.77 1j3s s ILE 58 Ca 0.07 -1.49 -0.34 0.00 -0.51 0.00 0.00 60.65 58.37 1j3s s ILE 58 Cb -0.12 -4.49 -0.19 0.00 0.15 0.00 0.00 42.46 37.80 1j3s s ILE 58 CO 0.02 -1.10 2.50 0.79 -2.11 0.00 0.00 174.94 175.03 1j3s n TRP 59 N 5.62 0.85 -3.40 3.50 5.03 -0.85 -4.85 117.44 123.34 1j3s n TRP 59 Ca -0.01 0.46 0.00 0.00 3.03 0.00 0.00 57.50 60.98 1j3s n TRP 59 Cb 0.44 -2.38 0.00 0.00 -1.03 0.00 0.00 31.31 28.33 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 6.74 5.88 0.00 6.99 0.00 -1.26 -3.28 105.19 120.26 1j3s n GLY 60 Ca 0.59 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.24 120.64 119.62 1j3s n GLU 61 Ca 0.00 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 1j3s n GLU 61 Cb 0.00 -1.15 0.27 0.00 -0.02 0.00 0.00 31.44 30.54 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 0.76 -0.64 1.62 3.58 -1.98 -1.58 116.42 118.17 1j3s h ASP 62 Ca 0.00 -0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.42 1j3s h ASP 62 Cb 0.00 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.82 1j3s h ASP 62 CO 0.00 0.60 0.43 0.71 -2.88 0.00 0.00 179.24 178.10 1j3s h THR 63 N 0.87 1.14 0.03 2.25 1.35 -1.89 -1.69 112.91 114.96 1j3s h THR 63 Ca 0.22 -0.29 -0.22 0.00 -0.55 0.00 0.00 66.41 65.58 1j3s h THR 63 Cb 0.00 0.23 -0.01 0.00 -1.73 0.00 0.00 68.15 66.65 1j3s h THR 63 CO -0.04 0.15 -0.97 0.25 -0.25 0.00 0.00 175.52 174.66 1j3s h LEU 64 N 0.84 0.34 -1.13 3.87 6.46 -0.86 -2.97 115.31 121.86 1j3s h LEU 64 Ca 0.24 -0.29 0.12 0.00 -0.12 0.00 0.00 57.88 57.83 1j3s h LEU 64 Cb -0.04 -0.10 -0.08 0.00 -0.73 0.00 0.00 40.66 39.71 1j3s h LEU 64 CO -0.06 1.13 0.60 -0.03 -0.62 0.00 0.00 178.44 179.46 1j3s h MET 65 N 0.12 0.85 0.25 1.25 4.05 -0.40 0.12 114.93 121.17 1j3s h MET 65 Ca -0.07 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.29 1j3s h MET 65 Cb 1.63 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 32.24 1j3s h MET 65 CO 0.15 0.57 -0.12 1.49 0.23 0.00 0.00 176.91 179.23 1j3s h GLU 66 N 0.88 -0.32 0.00 0.39 4.81 -1.48 -1.09 114.58 117.76 1j3s h GLU 66 Ca 0.47 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.72 1j3s h GLU 66 Cb 0.55 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1j3s h GLU 66 CO -0.23 -0.09 0.34 -0.92 -0.73 0.00 0.00 179.01 177.38 1j3s h TYR 67 N -1.03 0.00 0.09 0.92 3.20 -1.32 0.34 116.97 119.16 1j3s h TYR 67 Ca -0.03 0.00 -0.36 0.00 3.14 0.00 0.00 58.73 61.47 1j3s h TYR 67 Cb 0.39 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 1j3s h TYR 67 CO 0.03 0.00 -2.07 -0.11 -1.64 0.00 0.00 178.16 174.37 1j3s n LEU 68 N -2.71 2.48 0.31 2.82 7.94 0.38 -1.25 117.00 126.98 1j3s n LEU 68 Ca -0.02 0.16 0.19 0.00 -1.11 0.00 0.00 56.01 55.23 1j3s n LEU 68 Cb 0.38 -0.93 1.06 0.00 0.53 0.00 0.00 43.42 44.46 1j3s n LEU 68 CO 0.12 0.82 1.16 -0.08 -1.11 0.00 0.00 177.39 178.29 1j3s h GLU 69 N 0.05 0.00 -0.07 1.96 4.81 0.40 -3.38 114.58 118.35 1j3s h GLU 69 Ca -0.44 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 58.94 1j3s h GLU 69 Cb 2.01 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 31.22 1j3s h GLU 69 CO 0.05 0.00 -0.05 0.54 -0.73 0.00 0.00 179.01 178.82 1j3s s ASN 70 N -5.58 -0.11 0.02 1.04 2.20 -0.85 -4.88 114.94 106.78 1j3s s ASN 70 Ca -0.05 -0.06 -0.18 0.00 -0.94 0.00 0.00 52.86 51.63 1j3s s ASN 70 Cb 0.14 0.14 -0.23 0.00 -2.00 0.00 0.00 41.25 39.30 1j3s s ASN 70 CO 0.47 -0.01 1.14 1.55 -2.94 0.00 0.00 177.10 177.30 1j3s h PRO 71 N 5.03 0.49 0.00 3.55 0.13 -1.36 -1.49 132.00 138.35 1j3s h PRO 71 Ca -0.05 -0.51 -0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1j3s h PRO 71 Cb 1.24 0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.51 1j3s h PRO 71 CO -0.11 1.15 -0.02 -0.22 -0.23 0.00 0.00 178.00 178.57 1j3s h LYS 72 N 0.03 0.00 0.13 0.86 3.64 -1.85 0.19 116.57 119.57 1j3s h LYS 72 Ca -0.08 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 58.95 1j3s h LYS 72 Cb 1.37 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.18 1j3s h LYS 72 CO 0.13 0.02 -1.91 0.87 -2.27 0.00 0.00 179.45 176.30 1j3s h LYS 73 N 0.00 0.27 0.03 1.90 1.79 -1.92 -3.38 116.57 115.25 1j3s h LYS 73 Ca -0.00 -0.46 -0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1j3s h LYS 73 Cb 0.13 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1j3s h LYS 73 CO 0.00 1.17 -0.01 -0.92 -1.08 0.00 0.00 179.45 178.61 1j3s h TYR 74 N 0.07 -0.03 -3.56 -1.35 3.20 -0.60 -3.42 116.97 111.27 1j3s h TYR 74 Ca -0.39 -0.00 -0.66 0.00 3.14 0.00 0.00 58.73 60.82 1j3s h TYR 74 Cb 2.05 0.01 -0.16 0.00 1.54 0.00 0.00 36.73 40.17 1j3s h TYR 74 CO 0.08 -0.02 0.05 0.42 -1.64 0.00 0.00 178.16 177.04 1j3s s ILE 75 N -1.56 4.89 -1.04 1.81 -1.09 0.61 -4.99 121.20 119.83 1j3s s ILE 75 Ca -0.01 -0.02 -0.23 0.00 -2.23 0.00 0.00 60.65 58.17 1j3s s ILE 75 Cb 0.00 -4.18 0.01 0.00 -1.58 0.00 0.00 42.46 36.72 1j3s s ILE 75 CO 0.02 -0.57 1.67 -2.16 -1.23 0.00 0.00 174.94 172.67 1j3s s PRO 76 N 2.66 3.26 0.00 2.79 0.04 -1.26 -3.05 135.00 139.44 1j3s s PRO 76 Ca 0.20 -1.01 0.00 0.00 0.04 0.00 0.00 61.00 60.23 1j3s s PRO 76 Cb -0.15 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 29.10 1j3s s PRO 76 CO 0.17 -2.70 0.00 0.41 0.04 0.00 0.00 177.00 174.93 1j3s n GLY 77 N 6.58 0.69 3.37 0.56 0.00 -1.26 -4.84 105.19 110.29 1j3s n GLY 77 Ca 0.38 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.98 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 1.21 -0.89 2.61 5.66 -1.17 -4.85 114.28 116.85 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 -0.19 0.30 0.00 -1.55 0.00 0.00 70.33 68.89 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 1.04 3.53 -1.78 1.09 5.02 -1.26 -4.89 118.16 120.90 1j3s n LYS 79 Ca 0.12 -2.88 -0.42 0.00 -2.02 0.00 0.00 58.31 53.11 1j3s n LYS 79 Cb 0.38 -1.93 -0.03 0.00 -0.02 0.00 0.00 35.03 33.43 1j3s n LYS 79 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1j3s s MET 80 N -2.62 4.15 -0.31 1.97 -1.94 -1.26 -4.84 119.30 114.45 1j3s s MET 80 Ca 0.45 2.53 0.05 0.00 -1.71 0.00 0.00 55.69 57.01 1j3s s MET 80 Cb 0.35 -3.38 0.57 0.00 2.01 0.00 0.00 34.83 34.37 1j3s s MET 80 CO 0.12 -0.77 1.67 -0.89 -0.01 0.00 0.00 175.02 175.15 1j3s n ILE 81 N 4.41 2.61 -0.94 2.53 5.41 -1.26 -4.96 119.36 127.16 1j3s n ILE 81 Ca 0.16 -1.42 -0.30 0.00 1.00 0.00 0.00 62.75 62.20 1j3s n ILE 81 Cb 0.38 -0.51 0.16 0.00 -0.71 0.00 0.00 39.64 38.96 1j3s n ILE 81 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 1j3s s PHE 82 N -2.56 1.96 -0.16 1.39 5.36 -1.26 -4.97 117.98 117.73 1j3s s PHE 82 Ca 0.45 1.44 0.19 0.00 -0.96 0.00 0.00 56.93 58.04 1j3s s PHE 82 Cb 0.37 -3.18 -0.26 0.00 -0.34 0.00 0.00 43.02 39.60 1j3s s PHE 82 CO 0.10 -2.73 0.16 1.55 -1.46 0.00 0.00 175.22 172.84 1j3s n VAL 83 N -4.14 1.07 0.00 3.12 3.14 -1.26 -5.03 118.33 115.22 1j3s n VAL 83 Ca 0.08 -0.77 0.00 0.00 -2.96 0.00 0.00 64.34 60.69 1j3s n VAL 83 Cb 0.54 -0.37 0.00 0.00 -1.06 0.00 0.00 33.84 32.95 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 1.67 0.80 3.66 7.55 0.00 -1.26 -5.01 105.19 112.58 1j3s n GLY 84 Ca -0.26 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.70 3.07 -1.86 -0.61 -1.09 -1.26 -4.83 121.20 112.92 1j3s s ILE 85 Ca 0.00 0.09 0.27 0.00 -2.23 0.00 0.00 60.65 58.78 1j3s s ILE 85 Cb 0.00 -3.06 0.33 0.00 -1.58 0.00 0.00 42.46 38.16 1j3s s ILE 85 CO 0.00 -0.01 1.63 2.29 -1.23 0.00 0.00 174.94 177.62 1j3s n LYS 86 N 7.60 0.95 -2.01 2.79 2.85 -1.26 -4.83 118.16 124.24 1j3s n LYS 86 Ca 0.20 -0.54 -0.43 0.00 -1.05 0.00 0.00 58.31 56.50 1j3s n LYS 86 Cb 0.42 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 33.28 1j3s n LYS 86 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1j3s s LYS 87 N -2.42 3.51 0.20 -1.58 3.01 -1.26 -4.85 119.74 116.35 1j3s s LYS 87 Ca 0.27 1.56 -0.04 0.00 -1.01 0.00 0.00 55.97 56.75 1j3s s LYS 87 Cb 0.20 -4.15 0.14 0.00 -1.01 0.00 0.00 37.83 33.01 1j3s s LYS 87 CO 0.49 -1.65 1.57 -0.22 0.51 0.00 0.00 175.35 176.05 1j3s h LYS 88 N 12.15 0.70 -0.64 1.68 3.64 -2.00 -2.55 116.57 129.56 1j3s h LYS 88 Ca -0.34 -0.35 -0.05 0.00 -1.27 0.00 0.00 60.65 58.64 1j3s h LYS 88 Cb 1.17 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.96 1j3s h LYS 88 CO 1.02 0.96 0.21 1.49 -2.27 0.00 0.00 179.45 180.85 1j3s h GLU 89 N 0.59 0.99 -0.04 1.90 4.81 -2.00 -1.68 114.58 119.15 1j3s h GLU 89 Ca 0.06 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1j3s h GLU 89 Cb 0.89 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 1j3s h GLU 89 CO 0.08 0.87 0.01 0.93 -0.73 0.00 0.00 179.01 180.17 1j3s h GLU 90 N 0.92 0.06 -1.01 1.92 3.07 -1.93 -2.75 114.58 114.88 1j3s h GLU 90 Ca 0.21 -0.01 0.07 0.00 -0.50 0.00 0.00 59.36 59.13 1j3s h GLU 90 Cb 0.29 -0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 28.12 1j3s h GLU 90 CO -0.01 0.24 0.65 -0.09 -1.40 0.00 0.00 179.01 178.40 1j3s h ARG 91 N -0.12 1.12 -0.75 2.33 9.65 -1.33 -1.35 114.38 123.93 1j3s h ARG 91 Ca 0.01 -0.07 0.08 0.00 -1.10 0.00 0.00 59.98 58.90 1j3s h ARG 91 Cb 0.20 -0.25 -0.06 0.00 -1.39 0.00 0.00 29.97 28.46 1j3s h ARG 91 CO -0.00 0.74 0.42 0.00 2.80 0.00 0.00 179.97 183.93 1j3s h ALA 92 N 1.47 1.04 -0.24 2.80 0.00 -1.02 -0.39 119.26 122.92 1j3s h ALA 92 Ca 0.44 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.34 1j3s h ALA 92 Cb 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1j3s h ALA 92 CO -0.19 0.08 -0.01 -0.44 0.00 0.00 0.00 179.25 178.69 1j3s h ASP 93 N 0.74 0.32 0.24 0.00 3.32 -1.00 -1.77 116.42 118.27 1j3s h ASP 93 Ca 0.35 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 1j3s h ASP 93 Cb 0.27 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1j3s h ASP 93 CO -0.22 0.39 -0.12 -0.07 -1.72 0.00 0.00 179.24 177.51 1j3s h LEU 94 N 0.34 -0.28 -1.13 1.55 3.38 -0.78 -2.33 115.31 116.07 1j3s h LEU 94 Ca 0.08 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1j3s h LEU 94 Cb 0.25 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1j3s h LEU 94 CO 0.01 0.01 0.56 0.40 0.09 0.00 0.00 178.44 179.50 1j3s h ILE 95 N -0.57 1.23 -0.44 1.22 1.08 -1.27 -2.38 117.51 116.38 1j3s h ILE 95 Ca -0.03 -0.43 0.04 0.00 -0.39 0.00 0.00 64.86 64.05 1j3s h ILE 95 Cb 0.42 -0.03 -0.04 0.00 -3.07 0.00 0.00 36.82 34.10 1j3s h ILE 95 CO 0.05 0.22 0.21 0.00 -0.69 0.00 0.00 178.15 177.94 1j3s h ALA 96 N 1.44 0.55 0.34 1.87 0.00 -1.17 0.23 119.26 122.52 1j3s h ALA 96 Ca 0.31 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1j3s h ALA 96 Cb -0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1j3s h ALA 96 CO -0.07 -0.16 -0.17 -0.92 0.00 0.00 0.00 179.25 177.94 1j3s h TYR 97 N 0.42 -0.43 0.00 0.00 3.20 -0.92 -1.26 116.97 117.98 1j3s h TYR 97 Ca 0.19 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1j3s h TYR 97 Cb 0.12 0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1j3s h TYR 97 CO -0.11 -0.26 0.00 -0.07 -1.64 0.00 0.00 178.16 176.08 1j3s h LEU 98 N -0.47 0.00 0.00 2.82 -0.00 -1.18 -0.34 115.31 116.14 1j3s h LEU 98 Ca -0.05 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.65 1j3s h LEU 98 Cb 0.36 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.00 1j3s h LEU 98 CO 0.08 0.00 -0.92 0.50 -0.00 0.00 0.00 178.44 178.10 1j3s h LYS 99 N 0.00 0.00 0.00 1.13 3.11 0.62 -2.99 116.57 118.44 1j3s h LYS 99 Ca 0.00 0.00 -0.17 0.00 -2.81 0.00 0.00 60.65 57.67 1j3s h LYS 99 Cb 0.21 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.41 1j3s h LYS 99 CO 0.00 0.85 -1.49 1.17 -2.81 0.00 0.00 179.45 177.17 1j3s n LYS 100 N -3.30 0.50 0.30 1.90 0.00 -0.79 -2.77 118.16 114.00 1j3s n LYS 100 Ca -0.00 0.21 0.16 0.00 0.00 0.00 0.00 58.31 58.67 1j3s n LYS 100 Cb 0.89 -1.36 0.93 0.00 0.00 0.00 0.00 35.03 35.50 1j3s n LYS 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1j3s h ALA 101 N -0.90 1.47 -0.70 3.14 0.00 -1.30 -3.17 119.26 117.80 1j3s h ALA 101 Ca -0.25 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.35 1j3s h ALA 101 Cb 1.16 -0.00 -0.36 0.00 0.00 0.00 0.00 17.79 18.58 1j3s h ALA 101 CO -0.15 0.01 -1.05 0.25 0.00 0.00 0.00 179.25 178.30 1j3s n THR 102 N -3.77 0.93 0.00 0.00 -2.24 -1.13 -4.91 114.28 103.15 1j3s n THR 102 Ca -0.03 -2.77 0.00 0.00 -2.27 0.00 0.00 64.05 58.98 1j3s n THR 102 Cb 0.09 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 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 -0.33 0.00 0.00 3.42 5.15 -1.11 -4.62 115.26 117.76 1j3s n ASN 103 Ca 0.06 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.04 1j3s n ASN 103 Cb 0.82 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.07 1j3s n ASN 103 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87