#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 -0.43 -0.07 1.61 1.01 -1.26 -5.05 116.67 112.49 1j3s s ASP 2 Ca 0.00 0.53 -0.25 0.00 0.71 0.00 0.00 52.55 53.54 1j3s s ASP 2 Cb 0.00 0.57 -0.21 0.00 1.01 0.00 0.00 42.92 44.30 1j3s s ASP 2 CO 0.00 -0.43 0.99 0.58 0.21 0.00 0.00 175.17 176.52 1j3s h VAL 3 N 3.71 1.35 0.00 -1.27 2.07 -2.00 -2.84 116.25 117.27 1j3s h VAL 3 Ca -0.28 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 65.73 1j3s h VAL 3 Cb 1.16 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 33.25 1j3s h VAL 3 CO 0.34 0.37 0.00 -0.33 0.02 0.00 0.00 177.57 177.97 1j3s h GLU 4 N -0.75 0.00 0.00 1.57 4.39 -1.98 -1.65 114.58 116.16 1j3s h GLU 4 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1j3s h GLU 4 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1j3s h GLU 4 CO 0.01 0.00 0.00 1.17 -1.16 0.00 0.00 179.01 179.03 1j3s n LYS 5 N -2.42 0.00 0.02 2.33 4.81 -1.18 -3.26 118.16 118.47 1j3s n LYS 5 Ca -0.00 0.35 0.21 0.00 -0.87 0.00 0.00 58.31 58.00 1j3s n LYS 5 Cb 0.12 -0.84 0.73 0.00 0.02 0.00 0.00 35.03 35.05 1j3s n LYS 5 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1j3s h GLY 6 N 0.00 0.00 1.29 3.14 0.00 -1.55 0.68 103.07 106.64 1j3s h GLY 6 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1j3s h GLY 6 CO 0.00 0.00 -0.05 1.70 0.00 0.00 0.00 176.54 178.19 1j3s h LYS 7 N 0.00 0.85 0.00 4.80 3.64 -1.44 -2.52 116.57 121.90 1j3s h LYS 7 Ca 0.24 -0.26 -0.10 0.00 -1.27 0.00 0.00 60.65 59.26 1j3s h LYS 7 Cb 1.09 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1j3s h LYS 7 CO -0.00 0.88 -0.46 -0.22 -2.27 0.00 0.00 179.45 177.38 1j3s h LYS 8 N 0.78 0.00 0.74 1.90 3.64 -0.85 -2.34 116.57 120.44 1j3s h LYS 8 Ca 0.14 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1j3s h LYS 8 Cb 0.54 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1j3s h LYS 8 CO 0.03 0.46 -0.35 0.82 -2.27 0.00 0.00 179.45 178.14 1j3s h ILE 9 N 0.00 0.00 -0.77 2.00 1.08 -1.05 0.03 117.51 118.80 1j3s h ILE 9 Ca -0.00 -0.20 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 1j3s h ILE 9 Cb 1.12 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.83 1j3s h ILE 9 CO 0.06 0.00 0.43 0.15 -0.69 0.00 0.00 178.15 178.10 1j3s h PHE 10 N -1.19 1.04 0.00 1.37 3.57 -1.60 0.96 116.94 121.09 1j3s h PHE 10 Ca -0.10 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 1j3s h PHE 10 Cb 0.76 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 1j3s h PHE 10 CO 0.01 0.72 -0.05 0.82 -2.23 0.00 0.00 178.31 177.58 1j3s h ILE 11 N 1.07 0.29 0.00 1.41 2.04 -1.34 0.13 117.51 121.11 1j3s h ILE 11 Ca 0.27 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1j3s h ILE 11 Cb 0.01 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1j3s h ILE 11 CO -0.05 0.05 -0.04 0.80 0.00 0.00 0.00 178.15 178.91 1j3s n MET 12 N -3.39 1.68 0.00 2.37 1.56 -0.01 -4.34 117.12 115.00 1j3s n MET 12 Ca -0.02 -1.96 0.00 0.00 -0.27 0.00 0.00 57.70 55.45 1j3s n MET 12 Cb 0.19 -1.19 0.00 0.00 2.15 0.00 0.00 33.22 34.37 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 -0.92 0.00 -1.02 2.12 3.00 0.32 -4.88 118.16 116.78 1j3s n LYS 13 Ca 0.08 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.44 1j3s n LYS 13 Cb 0.50 -0.36 0.09 0.00 0.00 0.00 0.00 35.03 35.27 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 -0.22 0.72 -0.08 0.00 2.88 0.37 -1.34 113.62 115.94 1j3s n SER 15 Ca 0.11 -0.78 -0.22 0.00 -1.33 0.00 0.00 58.87 56.65 1j3s n SER 15 Cb 0.92 -0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 64.26 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 -0.75 0.66 -0.05 -1.46 1.13 -1.26 -4.29 117.38 111.36 1j3s n GLN 16 Ca 0.15 0.28 -0.22 0.00 -1.94 0.00 0.00 57.00 55.26 1j3s n GLN 16 Cb 0.30 -1.61 -0.13 0.00 0.11 0.00 0.00 30.24 28.91 1j3s n GLN 16 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j3s s HIS 18 N -2.48 4.13 -0.86 0.00 3.76 -0.45 0.32 115.29 119.70 1j3s s HIS 18 Ca -0.26 -2.65 -0.25 0.00 -0.15 0.00 0.00 55.06 51.74 1j3s s HIS 18 Cb 0.07 -3.73 0.04 0.00 1.11 0.00 0.00 32.58 30.07 1j3s s HIS 18 CO 0.68 -0.92 1.37 0.95 -0.85 0.00 0.00 174.74 175.97 1j3s s THR 19 N -1.06 3.80 -1.63 1.30 -4.23 -1.26 -4.31 115.64 108.25 1j3s s THR 19 Ca 0.28 -0.11 0.02 0.00 -1.18 0.00 0.00 61.69 60.70 1j3s s THR 19 Cb -0.10 -4.95 0.08 0.00 1.34 0.00 0.00 72.50 68.88 1j3s s THR 19 CO -0.09 -1.86 0.92 1.33 -0.54 0.00 0.00 174.62 174.38 1j3s n VAL 20 N 6.64 0.19 -1.44 2.29 0.24 -1.26 -3.33 118.33 121.65 1j3s n VAL 20 Ca 0.17 -0.13 0.02 0.00 -2.04 0.00 0.00 64.34 62.35 1j3s n VAL 20 Cb 0.50 -0.12 0.03 0.00 -1.47 0.00 0.00 33.84 32.78 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 -0.13 0.50 0.06 7.34 1.02 -1.26 -4.77 120.64 123.39 1j3s n GLU 21 Ca 0.03 -1.26 0.04 0.00 -0.02 0.00 0.00 57.16 55.95 1j3s n GLU 21 Cb 0.17 -0.74 -0.05 0.00 -0.02 0.00 0.00 31.44 30.79 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 -1.85 -3.49 116.57 116.36 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 1.16 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 1j3s h LYS 22 CO 0.00 0.20 0.00 0.41 -3.45 0.00 0.00 179.45 176.61 1j3s n GLY 23 N 1.33 0.68 2.71 5.01 0.00 -1.26 -4.53 105.19 109.13 1j3s n GLY 23 Ca -0.06 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 0.18 3.73 -0.02 0.00 -1.26 -4.95 105.19 102.86 1j3s n GLY 24 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.30 4.32 -0.24 1.61 2.20 -1.26 -4.91 119.74 120.16 1j3s s LYS 25 Ca 0.00 0.47 -0.03 0.00 -0.36 0.00 0.00 55.97 56.05 1j3s s LYS 25 Cb 0.00 -3.42 0.08 0.00 -1.51 0.00 0.00 37.83 32.98 1j3s s LYS 25 CO 0.00 0.19 0.09 -3.38 -0.36 0.00 0.00 175.35 171.89 1j3s s HIS 26 N 0.50 0.75 0.00 4.03 -3.43 -1.26 -4.60 115.29 111.27 1j3s s HIS 26 Ca 0.26 -0.91 0.00 0.00 -0.80 0.00 0.00 55.06 53.61 1j3s s HIS 26 Cb -0.15 -1.04 0.00 0.00 -1.43 0.00 0.00 32.58 29.95 1j3s s HIS 26 CO 0.11 -0.71 0.00 1.63 -2.00 0.00 0.00 174.74 173.77 1j3s n LYS 27 N 5.13 0.00 -0.02 -0.38 5.02 -1.26 -4.72 118.16 121.93 1j3s n LYS 27 Ca -0.06 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.13 1j3s n LYS 27 Cb 0.45 -0.37 -0.14 0.00 -0.02 0.00 0.00 35.03 34.95 1j3s n LYS 27 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1j3s h THR 28 N 0.00 0.85 -3.30 -0.18 2.02 -1.85 -3.47 112.91 106.99 1j3s h THR 28 Ca 0.00 -2.69 -0.65 0.00 0.77 0.00 0.00 66.41 63.84 1j3s h THR 28 Cb 0.00 2.44 -0.12 0.00 -1.74 0.00 0.00 68.15 68.73 1j3s h THR 28 CO 0.00 0.53 -0.66 -0.83 0.37 0.00 0.00 175.52 174.93 1j3s s GLY 29 N -5.14 1.91 0.12 2.16 0.00 0.15 -4.95 107.32 101.57 1j3s s GLY 29 Ca -0.06 -1.13 -0.31 0.00 0.00 0.00 0.00 44.72 43.22 1j3s s GLY 29 CO 0.82 -1.11 1.47 2.56 0.00 0.00 0.00 173.10 176.84 1j3s s PRO 30 N -2.37 4.27 -0.75 2.90 0.04 -1.26 -4.53 135.00 133.30 1j3s s PRO 30 Ca 0.26 2.18 -0.29 0.00 0.04 0.00 0.00 61.00 63.19 1j3s s PRO 30 Cb -0.12 -3.28 -0.15 0.00 0.04 0.00 0.00 34.50 30.99 1j3s s PRO 30 CO 0.19 -0.53 2.55 -1.71 0.04 0.00 0.00 177.00 177.53 1j3s n ASN 31 N 4.26 1.22 -3.46 6.66 4.05 -1.26 -4.70 115.26 122.02 1j3s n ASN 31 Ca 0.13 -0.08 -0.40 0.00 0.45 0.00 0.00 54.58 54.68 1j3s n ASN 31 Cb 0.41 -1.21 -0.02 0.00 1.23 0.00 0.00 39.78 40.20 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 8.14 -3.11 1.20 4.32 -1.26 -4.71 117.00 134.20 1j3s n LEU 32 Ca 0.53 -4.51 -0.40 0.00 -0.02 0.00 0.00 56.01 51.61 1j3s n LEU 32 Cb 0.25 -1.51 0.03 0.00 -1.62 0.00 0.00 43.42 40.57 1j3s n LEU 32 CO 0.84 1.88 1.50 0.00 -1.22 0.00 0.00 177.39 180.39 1j3s n HIS 33 N 3.44 2.93 0.00 -1.77 1.44 -1.26 -4.62 115.22 115.38 1j3s n HIS 33 Ca 0.67 -2.40 0.00 0.00 -2.01 0.00 0.00 57.72 53.98 1j3s n HIS 33 Cb 0.27 -1.18 0.00 0.00 0.12 0.00 0.00 29.99 29.20 1j3s n HIS 33 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1j3s n GLY 34 N -0.41 0.50 0.13 -1.39 0.00 -1.26 -5.04 105.19 97.73 1j3s n GLY 34 Ca 0.52 -0.76 0.01 0.00 0.00 0.00 0.00 46.02 45.79 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 -9.37 0.99 5.85 -1.84 -3.42 115.31 107.52 1j3s h LEU 35 Ca 0.00 0.00 -0.54 0.00 0.84 0.00 0.00 57.88 58.18 1j3s h LEU 35 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1j3s h LEU 35 CO 0.00 0.59 0.78 -0.36 -0.34 0.00 0.00 178.44 179.11 1j3s s PHE 36 N -3.05 2.98 0.00 1.25 0.08 -1.26 -2.81 117.98 115.17 1j3s s PHE 36 Ca 0.02 0.94 0.00 0.00 0.12 0.00 0.00 56.93 58.01 1j3s s PHE 36 Cb 0.09 -3.60 0.00 0.00 -0.57 0.00 0.00 43.02 38.94 1j3s s PHE 36 CO 0.75 -2.13 0.00 0.41 -0.10 0.00 0.00 175.22 174.15 1j3s n GLY 37 N 3.55 0.70 3.21 4.36 0.00 -1.19 -5.05 105.19 110.78 1j3s n GLY 37 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.75 2.34 0.54 1.61 1.70 -1.12 -4.99 118.95 118.27 1j3s s ARG 38 Ca 0.00 -0.80 -0.19 0.00 -0.47 0.00 0.00 55.73 54.27 1j3s s ARG 38 Cb 0.00 -1.96 -0.06 0.00 -0.57 0.00 0.00 34.95 32.36 1j3s s ARG 38 CO 0.00 0.31 1.11 -1.59 -1.08 0.00 0.00 175.30 174.05 1j3s s LYS 39 N -0.02 3.40 1.01 3.89 -2.85 -1.26 -3.89 119.74 120.02 1j3s s LYS 39 Ca -0.06 1.55 -0.11 0.00 -1.00 0.00 0.00 55.97 56.35 1j3s s LYS 39 Cb -0.14 -2.02 0.20 0.00 -2.06 0.00 0.00 37.83 33.82 1j3s s LYS 39 CO 0.04 -0.80 1.10 0.99 0.10 0.00 0.00 175.35 176.78 1j3s s THR 40 N -1.86 2.08 -0.10 3.79 2.01 -1.26 -4.64 115.64 115.66 1j3s s THR 40 Ca 0.71 0.03 -0.06 0.00 0.31 0.00 0.00 61.69 62.68 1j3s s THR 40 Cb -0.22 -2.07 0.02 0.00 0.01 0.00 0.00 72.50 70.24 1j3s s THR 40 CO 0.27 -0.03 0.12 0.61 -0.69 0.00 0.00 174.62 174.90 1j3s n GLY 41 N 0.41 -4.15 0.00 4.40 0.00 -1.26 -4.47 105.19 100.12 1j3s n GLY 41 Ca 0.08 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 0.86 0.00 -2.44 1.61 0.00 -1.26 -5.03 117.38 111.12 1j3s n GLN 42 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 57.00 56.37 1j3s n GLN 42 Cb 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.54 1j3s n GLN 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1j3s s ALA 43 N -0.98 3.41 0.43 2.61 0.00 -1.26 -5.01 121.76 120.96 1j3s s ALA 43 Ca 0.00 0.78 -0.21 0.00 0.00 0.00 0.00 51.96 52.53 1j3s s ALA 43 Cb 0.00 -3.46 -0.11 0.00 0.00 0.00 0.00 23.12 19.55 1j3s s ALA 43 CO 0.00 -0.52 0.96 -1.25 0.00 0.00 0.00 175.76 174.95 1j3s s PRO 44 N 1.38 4.22 0.00 0.00 0.04 -1.26 -3.51 135.00 135.87 1j3s s PRO 44 Ca 0.58 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1j3s s PRO 44 Cb -0.28 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1j3s s PRO 44 CO 0.27 -0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.68 1j3s n GLY 45 N -0.56 2.50 2.94 0.56 0.00 -1.26 -4.96 105.19 104.41 1j3s n GLY 45 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.24 2.28 -1.22 1.61 6.14 -1.23 -5.03 117.35 117.66 1j3s s TYR 46 Ca 0.00 -1.62 -0.20 0.00 0.64 0.00 0.00 57.07 55.89 1j3s s TYR 46 Cb 0.00 -1.55 -0.03 0.00 0.42 0.00 0.00 41.96 40.81 1j3s s TYR 46 CO 0.00 -0.74 1.87 -1.13 0.64 0.00 0.00 175.55 176.19 1j3s n SER 47 N 4.71 3.80 -3.56 4.32 3.41 -1.26 -4.72 113.62 120.32 1j3s n SER 47 Ca -0.12 -2.79 -0.13 0.00 -0.26 0.00 0.00 58.87 55.56 1j3s n SER 47 Cb 0.45 -1.70 0.12 0.00 -0.26 0.00 0.00 64.21 62.82 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 11.21 -2.29 -1.55 7.33 4.02 -1.26 -4.43 117.16 130.18 1j3s n TYR 48 Ca 0.47 0.07 -0.13 0.00 -0.01 0.00 0.00 57.90 58.30 1j3s n TYR 48 Cb 0.46 -1.37 -0.09 0.00 -0.02 0.00 0.00 39.34 38.32 1j3s n TYR 48 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1j3s n THR 49 N -4.18 0.00 -0.33 -0.72 -2.24 -1.26 -4.71 114.28 100.84 1j3s n THR 49 Ca 0.06 -0.38 0.20 0.00 -2.27 0.00 0.00 64.05 61.66 1j3s n THR 49 Cb 0.26 -1.89 0.41 0.00 -2.10 0.00 0.00 70.33 67.02 1j3s n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j3s h ALA 50 N 12.33 1.79 0.09 6.98 0.00 -1.92 -1.23 119.26 137.30 1j3s h ALA 50 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1j3s h ALA 50 Cb 1.01 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1j3s h ALA 50 CO 1.03 -0.45 -0.11 0.00 0.00 0.00 0.00 179.25 179.71 1j3s h ALA 51 N 1.80 -0.79 -0.81 0.00 0.00 -1.87 -1.55 119.26 116.03 1j3s h ALA 51 Ca 0.67 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.68 1j3s h ALA 51 Cb 1.43 0.41 -0.13 0.00 0.00 0.00 0.00 17.79 19.50 1j3s h ALA 51 CO -0.57 -0.80 -0.31 0.09 0.00 0.00 0.00 179.25 177.66 1j3s n ASN 52 N -3.00 -0.51 0.30 0.00 4.13 -0.49 -0.46 115.26 115.23 1j3s n ASN 52 Ca -0.02 1.42 -0.18 0.00 1.68 0.00 0.00 54.58 57.47 1j3s n ASN 52 Cb 0.10 -0.33 -0.10 0.00 -1.54 0.00 0.00 39.78 37.91 1j3s n ASN 52 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1j3s h LYS 53 N 0.00 -0.96 0.00 3.52 3.64 -1.18 -0.66 116.57 120.93 1j3s h LYS 53 Ca 0.29 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1j3s h LYS 53 Cb 0.49 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1j3s h LYS 53 CO -0.81 -0.64 0.00 -1.71 -2.27 0.00 0.00 179.45 174.02 1j3s n ASN 54 N -5.56 0.29 0.00 4.20 5.15 0.15 -1.37 115.26 118.12 1j3s n ASN 54 Ca -0.12 0.63 0.07 0.00 -0.60 0.00 0.00 54.58 54.55 1j3s n ASN 54 Cb 0.46 -0.67 0.39 0.00 -0.53 0.00 0.00 39.78 39.43 1j3s n ASN 54 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1j3s n LYS 55 N -1.88 0.97 -4.18 1.20 0.00 0.40 -4.86 118.16 109.79 1j3s n LYS 55 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 58.31 57.99 1j3s n LYS 55 Cb 0.04 -1.21 -0.05 0.00 0.00 0.00 0.00 35.03 33.81 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 0.66 -0.29 3.34 3.14 0.00 -0.47 -4.90 105.19 106.67 1j3s n GLY 56 Ca 0.10 0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.77 3.96 -0.48 -0.61 -1.16 -1.26 -5.05 121.20 112.83 1j3s s ILE 57 Ca 0.32 -0.76 -0.29 0.00 -0.51 0.00 0.00 60.65 59.42 1j3s s ILE 57 Cb -0.18 -3.07 0.02 0.00 0.61 0.00 0.00 42.46 39.84 1j3s s ILE 57 CO 0.94 0.04 1.30 -0.51 -2.81 0.00 0.00 174.94 173.90 1j3s s ILE 58 N 1.49 3.99 -0.37 2.00 1.10 -1.26 -4.32 121.20 123.82 1j3s s ILE 58 Ca 0.02 0.97 -0.40 0.00 -0.51 0.00 0.00 60.65 60.73 1j3s s ILE 58 Cb -0.18 -4.43 -0.15 0.00 0.15 0.00 0.00 42.46 37.85 1j3s s ILE 58 CO 0.03 -0.98 2.01 0.79 -2.11 0.00 0.00 174.94 174.68 1j3s n TRP 59 N 8.62 1.64 -4.49 3.50 5.03 -1.25 -4.89 117.44 125.60 1j3s n TRP 59 Ca 0.13 0.53 -0.25 0.00 3.03 0.00 0.00 57.50 60.94 1j3s n TRP 59 Cb 0.49 -2.43 -0.08 0.00 -1.03 0.00 0.00 31.31 28.26 1j3s n TRP 59 CO 0.00 0.00 0.00 0.20 -0.03 0.00 0.00 177.69 177.86 1j3s s GLY 60 N 5.60 2.65 0.02 6.99 0.00 -1.26 -3.14 107.32 118.19 1j3s s GLY 60 Ca 1.09 -1.27 -0.27 0.00 0.00 0.00 0.00 44.72 44.26 1j3s s GLY 60 CO 0.60 -1.79 1.15 0.83 0.00 0.00 0.00 173.10 173.89 1j3s h GLU 61 N 1.79 -0.93 -0.71 2.90 5.08 -1.99 -0.52 114.58 120.20 1j3s h GLU 61 Ca -0.33 0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 1j3s h GLU 61 Cb 1.27 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.70 1j3s h GLU 61 CO 0.52 -0.62 0.33 0.38 -1.00 0.00 0.00 179.01 178.62 1j3s h ASP 62 N -1.21 0.93 -0.28 1.42 2.03 -1.98 -1.51 116.42 115.82 1j3s h ASP 62 Ca -0.10 -0.14 0.01 0.00 -0.73 0.00 0.00 57.03 56.08 1j3s h ASP 62 Cb 0.74 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 38.99 1j3s h ASP 62 CO 0.16 0.81 0.19 0.71 -1.03 0.00 0.00 179.24 180.08 1j3s h THR 63 N 0.99 1.04 0.05 1.15 1.35 -1.90 -1.59 112.91 113.99 1j3s h THR 63 Ca 0.24 -0.11 -0.23 0.00 -0.55 0.00 0.00 66.41 65.76 1j3s h THR 63 Cb 0.13 0.68 -0.01 0.00 -1.73 0.00 0.00 68.15 67.22 1j3s h THR 63 CO -0.03 0.06 -1.04 0.25 -0.25 0.00 0.00 175.52 174.51 1j3s h LEU 64 N 0.33 0.24 -1.39 3.87 6.46 -0.34 -2.97 115.31 121.51 1j3s h LEU 64 Ca 0.11 -0.23 -0.00 0.00 -0.12 0.00 0.00 57.88 57.63 1j3s h LEU 64 Cb 0.03 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 39.86 1j3s h LEU 64 CO -0.02 1.13 0.34 -0.03 -0.62 0.00 0.00 178.44 179.24 1j3s h MET 65 N 0.06 0.75 0.09 1.25 4.05 -0.31 -0.65 114.93 120.18 1j3s h MET 65 Ca -0.07 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.29 1j3s h MET 65 Cb 1.74 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 32.38 1j3s h MET 65 CO 0.16 0.53 -0.04 1.49 0.23 0.00 0.00 176.91 179.27 1j3s h GLU 66 N 0.77 -0.11 -0.25 0.39 4.22 -1.51 -2.07 114.58 116.02 1j3s h GLU 66 Ca 0.20 0.01 0.07 0.00 0.08 0.00 0.00 59.36 59.72 1j3s h GLU 66 Cb -0.04 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1j3s h GLU 66 CO -0.04 0.39 0.25 -0.92 -2.18 0.00 0.00 179.01 176.51 1j3s h TYR 67 N -0.91 0.00 0.22 0.92 3.20 -1.41 -0.97 116.97 118.03 1j3s h TYR 67 Ca -0.01 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.52 1j3s h TYR 67 Cb 0.56 0.00 0.03 0.00 1.54 0.00 0.00 36.73 38.85 1j3s h TYR 67 CO 0.12 0.00 -1.57 1.25 -1.64 0.00 0.00 178.16 176.32 1j3s h LEU 68 N 0.00 0.74 -2.67 2.82 5.85 -1.13 0.46 115.31 121.39 1j3s h LEU 68 Ca 0.12 -0.89 0.00 0.00 0.84 0.00 0.00 57.88 57.96 1j3s h LEU 68 Cb 0.62 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1j3s h LEU 68 CO -0.00 1.71 0.01 -0.08 -0.34 0.00 0.00 178.44 179.74 1j3s h GLU 69 N 0.13 0.00 -0.58 1.25 4.81 -0.45 -3.38 114.58 116.36 1j3s h GLU 69 Ca -0.28 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.05 1j3s h GLU 69 Cb 2.14 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 31.33 1j3s h GLU 69 CO 0.24 0.00 -0.21 -0.80 -0.73 0.00 0.00 179.01 177.51 1j3s s ASN 70 N -5.74 -0.94 0.18 1.04 0.02 -0.79 -4.99 114.94 103.72 1j3s s ASN 70 Ca -0.05 -0.10 0.08 0.00 -1.02 0.00 0.00 52.86 51.77 1j3s s ASN 70 Cb 0.14 1.43 0.01 0.00 0.02 0.00 0.00 41.25 42.86 1j3s s ASN 70 CO 0.49 -0.15 1.41 1.55 0.02 0.00 0.00 177.10 180.42 1j3s h PRO 71 N 7.05 0.00 0.04 -0.60 0.13 -1.07 -1.46 132.00 136.08 1j3s h PRO 71 Ca -0.03 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.83 1j3s h PRO 71 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1j3s h PRO 71 CO 0.01 0.85 -1.44 -0.22 -0.23 0.00 0.00 178.00 176.97 1j3s h LYS 72 N 0.00 0.08 0.09 0.86 3.64 -1.85 -2.42 116.57 116.97 1j3s h LYS 72 Ca -0.01 -0.13 -0.26 0.00 -1.27 0.00 0.00 60.65 58.98 1j3s h LYS 72 Cb 1.51 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 1j3s h LYS 72 CO 0.11 0.85 -1.14 0.87 -2.27 0.00 0.00 179.45 177.86 1j3s h LYS 73 N 0.02 0.32 0.02 1.90 1.79 -1.94 -3.35 116.57 115.33 1j3s h LYS 73 Ca -0.19 -0.46 -0.00 0.00 -2.18 0.00 0.00 60.65 57.82 1j3s h LYS 73 Cb 1.94 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 32.75 1j3s h LYS 73 CO 0.12 1.18 -0.01 -0.92 -1.08 0.00 0.00 179.45 178.74 1j3s h TYR 74 N 0.13 -0.03 -3.78 -1.35 3.20 -1.38 -3.43 116.97 110.34 1j3s h TYR 74 Ca -0.12 -0.00 -0.66 0.00 3.14 0.00 0.00 58.73 61.09 1j3s h TYR 74 Cb 1.84 0.01 -0.19 0.00 1.54 0.00 0.00 36.73 39.93 1j3s h TYR 74 CO 0.06 -0.02 -0.52 0.42 -1.64 0.00 0.00 178.16 176.47 1j3s s ILE 75 N -1.52 5.11 -1.59 1.81 -1.09 -0.91 -4.98 121.20 118.03 1j3s s ILE 75 Ca -0.00 -0.08 -0.10 0.00 -2.23 0.00 0.00 60.65 58.23 1j3s s ILE 75 Cb 0.00 -3.52 -0.06 0.00 -1.58 0.00 0.00 42.46 37.30 1j3s s ILE 75 CO 0.01 0.14 2.83 -0.81 -1.23 0.00 0.00 174.94 175.88 1j3s n PRO 76 N 5.05 3.66 0.00 2.79 -0.04 -1.26 -3.84 135.00 141.36 1j3s n PRO 76 Ca -0.14 -2.34 0.00 0.00 -0.04 0.00 0.00 63.50 60.98 1j3s n PRO 76 Cb 0.51 -2.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 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 3.52 -0.53 3.27 0.55 0.00 -1.26 -4.82 105.19 105.92 1j3s n GLY 77 Ca 0.74 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.33 0.00 -0.79 2.61 5.66 -1.25 -4.92 114.28 113.26 1j3s n THR 78 Ca 0.00 -0.26 0.00 0.00 -3.05 0.00 0.00 64.05 60.74 1j3s n THR 78 Cb 0.00 -0.53 0.00 0.00 -1.55 0.00 0.00 70.33 68.25 1j3s n THR 78 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1j3s n LYS 79 N -1.44 0.67 -2.50 1.09 2.85 -1.26 -4.87 118.16 112.70 1j3s n LYS 79 Ca 0.02 -0.74 -0.43 0.00 -1.05 0.00 0.00 58.31 56.11 1j3s n LYS 79 Cb 0.61 -0.62 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 1j3s n LYS 79 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1j3s s MET 80 N -0.23 4.32 -0.51 -1.58 0.23 -1.26 -4.89 119.30 115.38 1j3s s MET 80 Ca 0.00 1.60 0.01 0.00 -1.03 0.00 0.00 55.69 56.27 1j3s s MET 80 Cb 0.00 -3.62 0.49 0.00 -1.53 0.00 0.00 34.83 30.17 1j3s s MET 80 CO 0.00 -0.52 1.94 -0.89 -2.03 0.00 0.00 175.02 173.52 1j3s n ILE 81 N 4.88 3.24 -0.08 3.16 5.41 -1.26 -4.55 119.36 130.15 1j3s n ILE 81 Ca 0.12 -2.23 0.03 0.00 1.00 0.00 0.00 62.75 61.67 1j3s n ILE 81 Cb 0.46 -0.89 0.37 0.00 -0.71 0.00 0.00 39.64 38.87 1j3s n ILE 81 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 1j3s h PHE 82 N 1.43 0.67 0.00 1.39 3.57 -1.98 -3.41 116.94 118.61 1j3s h PHE 82 Ca 0.56 0.02 -0.42 0.00 3.53 0.00 0.00 57.97 61.65 1j3s h PHE 82 Cb 1.69 -0.23 -0.09 0.00 2.79 0.00 0.00 35.95 40.11 1j3s h PHE 82 CO 1.37 0.41 1.75 1.33 -2.23 0.00 0.00 178.31 180.93 1j3s n VAL 83 N -4.46 0.00 -2.01 1.41 0.24 -1.26 -4.46 118.33 107.79 1j3s n VAL 83 Ca 0.05 -0.17 -0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1j3s n VAL 83 Cb 0.07 -0.30 -0.00 0.00 -1.47 0.00 0.00 33.84 32.14 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 5.75 0.88 3.86 7.63 0.00 -1.26 -5.13 105.19 116.92 1j3s n GLY 84 Ca 0.63 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 46.42 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 3.91 0.00 -0.61 1.09 -1.26 -5.03 121.20 119.30 1j3s s ILE 85 Ca 0.01 -1.32 0.00 0.00 -1.10 0.00 0.00 60.65 58.23 1j3s s ILE 85 Cb 0.01 -3.30 0.00 0.00 -1.06 0.00 0.00 42.46 38.11 1j3s s ILE 85 CO -0.00 -0.23 0.72 0.29 -0.10 0.00 0.00 174.94 175.62 1j3s n LYS 86 N -1.35 0.00 -4.19 2.79 5.02 -1.26 -5.06 118.16 114.11 1j3s n LYS 86 Ca -0.04 -0.67 -0.28 0.00 -2.02 0.00 0.00 58.31 55.31 1j3s n LYS 86 Cb 0.59 -0.42 -0.17 0.00 -0.02 0.00 0.00 35.03 35.02 1j3s n LYS 86 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1j3s s LYS 87 N 0.00 1.94 0.26 1.97 3.01 -1.26 -5.01 119.74 120.65 1j3s s LYS 87 Ca 0.00 -0.44 -0.03 0.00 -1.01 0.00 0.00 55.97 54.49 1j3s s LYS 87 Cb 0.00 -1.77 0.33 0.00 -1.01 0.00 0.00 37.83 35.38 1j3s s LYS 87 CO 0.00 -0.16 1.79 -0.22 0.51 0.00 0.00 175.35 177.27 1j3s h LYS 88 N 7.74 0.88 -0.99 1.68 3.64 -2.00 -2.51 116.57 125.02 1j3s h LYS 88 Ca -0.32 -0.20 0.08 0.00 -1.27 0.00 0.00 60.65 58.93 1j3s h LYS 88 Cb 1.15 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.78 1j3s h LYS 88 CO 0.47 0.81 0.64 0.93 -2.27 0.00 0.00 179.45 180.03 1j3s h GLU 89 N 0.84 1.08 -0.05 1.90 4.39 -2.00 -1.95 114.58 118.79 1j3s h GLU 89 Ca 0.18 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 1j3s h GLU 89 Cb 0.35 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1j3s h GLU 89 CO 0.01 0.72 0.01 0.93 -1.16 0.00 0.00 179.01 179.52 1j3s h GLU 90 N 1.12 0.09 -0.68 2.33 5.08 -1.88 -2.34 114.58 118.29 1j3s h GLU 90 Ca 0.44 -0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.89 1j3s h GLU 90 Cb 0.23 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.39 1j3s h GLU 90 CO -0.18 0.28 0.25 -0.09 -1.00 0.00 0.00 179.01 178.27 1j3s h ARG 91 N -0.13 0.40 -0.79 2.33 9.65 -1.26 0.82 114.38 125.40 1j3s h ARG 91 Ca 0.02 -0.02 0.07 0.00 -1.10 0.00 0.00 59.98 58.94 1j3s h ARG 91 Cb 0.24 -0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 28.66 1j3s h ARG 91 CO 0.00 0.27 0.47 0.00 2.80 0.00 0.00 179.97 183.51 1j3s h ALA 92 N 1.48 1.08 -0.62 2.80 0.00 -1.14 -0.56 119.26 122.30 1j3s h ALA 92 Ca 0.36 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.29 1j3s h ALA 92 Cb 0.49 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1j3s h ALA 92 CO -0.36 0.17 0.41 -0.44 0.00 0.00 0.00 179.25 179.04 1j3s h ASP 93 N 0.85 0.67 -0.40 0.00 3.32 -0.32 -1.48 116.42 119.05 1j3s h ASP 93 Ca 0.35 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.41 1j3s h ASP 93 Cb 0.20 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1j3s h ASP 93 CO -0.19 0.47 0.23 -0.07 -1.72 0.00 0.00 179.24 177.96 1j3s h LEU 94 N 0.78 0.36 -0.05 1.55 3.38 -0.41 -2.55 115.31 118.37 1j3s h LEU 94 Ca 0.24 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1j3s h LEU 94 Cb 0.00 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1j3s h LEU 94 CO -0.06 0.26 -0.02 0.40 0.09 0.00 0.00 178.44 179.11 1j3s h ILE 95 N 0.46 1.31 -1.03 1.22 1.08 -1.22 -2.95 117.51 116.38 1j3s h ILE 95 Ca 0.16 -0.96 0.30 0.00 -0.39 0.00 0.00 64.86 63.97 1j3s h ILE 95 Cb 0.03 1.86 -0.13 0.00 -3.07 0.00 0.00 36.82 35.50 1j3s h ILE 95 CO -0.09 0.26 0.61 0.00 -0.69 0.00 0.00 178.15 178.25 1j3s h ALA 96 N 0.63 2.01 0.03 1.87 0.00 -1.10 0.42 119.26 123.12 1j3s h ALA 96 Ca 0.01 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1j3s h ALA 96 Cb 0.43 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1j3s h ALA 96 CO 0.01 -0.56 -0.02 -0.92 0.00 0.00 0.00 179.25 177.76 1j3s h TYR 97 N 0.39 -0.04 0.00 0.00 3.20 -1.35 -2.06 116.97 117.11 1j3s h TYR 97 Ca 0.70 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.57 1j3s h TYR 97 Cb 1.60 0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.88 1j3s h TYR 97 CO -0.01 0.47 0.00 1.28 -1.64 0.00 0.00 178.16 178.26 1j3s n LEU 98 N -4.86 0.00 -0.01 2.82 7.99 -0.23 -1.21 117.00 121.50 1j3s n LEU 98 Ca -0.09 0.22 0.10 0.00 -0.01 0.00 0.00 56.01 56.24 1j3s n LEU 98 Cb 0.27 -0.22 -0.16 0.00 -0.11 0.00 0.00 43.42 43.19 1j3s n LEU 98 CO 0.33 -0.09 -0.74 1.17 -1.51 0.00 0.00 177.39 176.55 1j3s n LYS 99 N -1.22 0.66 -0.01 3.23 4.81 0.13 -3.47 118.16 122.29 1j3s n LYS 99 Ca 0.10 -0.17 0.07 0.00 -0.87 0.00 0.00 58.31 57.43 1j3s n LYS 99 Cb 0.13 -1.54 -0.11 0.00 0.02 0.00 0.00 35.03 33.54 1j3s n LYS 99 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1j3s n LYS 100 N -2.30 0.43 -0.05 1.64 5.02 -0.80 0.12 118.16 122.23 1j3s n LYS 100 Ca -0.05 -0.13 -0.16 0.00 -2.02 0.00 0.00 58.31 55.95 1j3s n LYS 100 Cb 0.60 -1.33 -0.14 0.00 -0.02 0.00 0.00 35.03 34.14 1j3s n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j3s n ALA 101 N -1.99 1.24 -2.55 7.82 0.00 -0.35 -4.06 120.51 120.62 1j3s n ALA 101 Ca -0.03 -0.86 -0.15 0.00 0.00 0.00 0.00 53.44 52.40 1j3s n ALA 101 Cb 0.37 -0.51 0.02 0.00 0.00 0.00 0.00 19.45 19.33 1j3s n ALA 101 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1j3s n THR 102 N -3.23 1.67 0.00 0.00 -2.24 -1.23 -4.80 114.28 104.46 1j3s n THR 102 Ca -0.32 -3.80 0.00 0.00 -2.27 0.00 0.00 64.05 57.66 1j3s n THR 102 Cb 1.05 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 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 -0.35 0.00 0.00 3.42 2.85 -1.24 -4.61 115.26 115.32 1j3s n ASN 103 Ca 0.23 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.70 1j3s n ASN 103 Cb 0.78 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.80 1j3s n ASN 103 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53