#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 -1.13 0.09 1.61 1.01 -1.26 -5.02 116.67 111.97 1j3s s ASP 2 Ca 0.00 0.26 -0.04 0.00 0.71 0.00 0.00 52.55 53.48 1j3s s ASP 2 Cb 0.00 1.86 -0.23 0.00 1.01 0.00 0.00 42.92 45.56 1j3s s ASP 2 CO 0.00 -0.30 1.19 1.62 0.21 0.00 0.00 175.17 177.89 1j3s h VAL 3 N 6.04 1.49 -0.87 -1.27 3.04 -1.93 -1.94 116.25 120.80 1j3s h VAL 3 Ca -0.09 -2.94 0.16 0.00 -1.01 0.00 0.00 66.70 62.82 1j3s h VAL 3 Cb 1.17 2.83 -0.07 0.00 -2.01 0.00 0.00 31.29 33.21 1j3s h VAL 3 CO 0.20 0.86 0.57 1.05 -1.01 0.00 0.00 177.57 179.24 1j3s h GLU 4 N 0.10 0.56 0.00 4.17 4.11 -1.99 -0.02 114.58 121.51 1j3s h GLU 4 Ca -0.12 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.28 1j3s h GLU 4 Cb 1.87 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.00 1j3s h GLU 4 CO 0.19 0.37 -1.24 0.36 0.07 0.00 0.00 179.01 178.76 1j3s n LYS 5 N -4.55 0.27 -0.21 1.06 2.85 -1.22 -4.25 118.16 112.10 1j3s n LYS 5 Ca 0.18 -0.05 -0.08 0.00 -1.05 0.00 0.00 58.31 57.30 1j3s n LYS 5 Cb 0.54 -1.54 0.03 0.00 -0.65 0.00 0.00 35.03 33.41 1j3s n LYS 5 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1j3s h GLY 6 N 4.59 1.07 2.00 2.58 0.00 -0.17 -1.92 103.07 111.22 1j3s h GLY 6 Ca 0.00 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.62 1j3s h GLY 6 CO 0.00 0.66 -0.02 1.70 0.00 0.00 0.00 176.54 178.87 1j3s h LYS 7 N 0.90 0.00 0.18 4.80 3.64 -1.66 -1.84 116.57 122.59 1j3s h LYS 7 Ca 0.19 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.26 1j3s h LYS 7 Cb 0.41 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.26 1j3s h LYS 7 CO 0.01 0.02 -1.31 0.87 -2.27 0.00 0.00 179.45 176.78 1j3s h LYS 8 N 0.00 0.57 0.09 1.90 1.57 -1.58 -1.54 116.57 117.58 1j3s h LYS 8 Ca -0.00 -0.85 -0.00 0.00 -1.87 0.00 0.00 60.65 57.92 1j3s h LYS 8 Cb 0.11 0.30 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1j3s h LYS 8 CO 0.00 1.40 -0.04 0.82 -0.57 0.00 0.00 179.45 181.06 1j3s h ILE 9 N 0.18 0.99 -0.78 1.86 2.04 -1.06 -0.88 117.51 119.86 1j3s h ILE 9 Ca -0.21 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 1j3s h ILE 9 Cb 2.00 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 39.20 1j3s h ILE 9 CO 0.25 0.07 0.35 0.15 0.00 0.00 0.00 178.15 178.97 1j3s h PHE 10 N -0.23 1.14 0.00 1.37 3.04 -1.52 0.95 116.94 121.68 1j3s h PHE 10 Ca -0.01 -0.06 -0.00 0.00 3.98 0.00 0.00 57.97 61.87 1j3s h PHE 10 Cb 0.19 -0.35 -0.00 0.00 2.56 0.00 0.00 35.95 38.35 1j3s h PHE 10 CO -0.03 0.84 -0.02 0.82 -2.02 0.00 0.00 178.31 177.90 1j3s h ILE 11 N 1.12 0.23 0.00 1.41 1.08 -0.86 0.44 117.51 120.93 1j3s h ILE 11 Ca 0.27 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.62 1j3s h ILE 11 Cb 0.14 1.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 1j3s h ILE 11 CO -0.03 0.02 -0.01 0.80 -0.69 0.00 0.00 178.15 178.24 1j3s n MET 12 N -3.38 2.31 0.05 2.37 1.56 -0.08 -4.50 117.12 115.44 1j3s n MET 12 Ca -0.03 -1.79 0.00 0.00 -0.27 0.00 0.00 57.70 55.61 1j3s n MET 12 Cb 0.11 -1.13 0.00 0.00 2.15 0.00 0.00 33.22 34.36 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 -0.77 0.00 -0.48 2.12 3.00 0.31 -4.92 118.16 117.42 1j3s n LYS 13 Ca 0.05 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.41 1j3s n LYS 13 Cb 0.39 -0.33 0.08 0.00 0.00 0.00 0.00 35.03 35.16 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 -0.57 1.20 -0.11 0.00 2.88 0.15 -1.64 113.62 115.52 1j3s n SER 15 Ca 0.09 -1.82 -0.20 0.00 -1.33 0.00 0.00 58.87 55.61 1j3s n SER 15 Cb 0.73 -0.12 -0.07 0.00 -0.75 0.00 0.00 64.21 64.01 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 0.08 0.55 0.08 -1.46 6.02 -1.26 -4.41 117.38 116.98 1j3s n GLN 16 Ca 0.11 0.23 -0.02 0.00 -0.01 0.00 0.00 57.00 57.31 1j3s n GLN 16 Cb 0.22 -1.44 -0.06 0.00 1.02 0.00 0.00 30.24 29.98 1j3s n GLN 16 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1j3s s HIS 18 N -2.83 3.37 -1.19 0.00 3.76 -0.65 0.83 115.29 118.58 1j3s s HIS 18 Ca 0.01 -2.93 -0.20 0.00 -0.15 0.00 0.00 55.06 51.78 1j3s s HIS 18 Cb 0.09 -3.05 0.05 0.00 1.11 0.00 0.00 32.58 30.77 1j3s s HIS 18 CO 0.79 -0.78 1.68 0.95 -0.85 0.00 0.00 174.74 176.53 1j3s s THR 19 N -0.34 3.98 -0.09 1.30 -4.23 -1.26 -4.21 115.64 110.78 1j3s s THR 19 Ca 0.18 -1.43 0.01 0.00 -1.18 0.00 0.00 61.69 59.27 1j3s s THR 19 Cb -0.20 -5.06 0.13 0.00 1.34 0.00 0.00 72.50 68.71 1j3s s THR 19 CO -0.04 -1.87 1.23 1.33 -0.54 0.00 0.00 174.62 174.73 1j3s n VAL 20 N 6.73 1.49 -1.99 2.29 0.24 -1.26 -3.42 118.33 122.40 1j3s n VAL 20 Ca 0.44 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1j3s n VAL 20 Cb 0.48 -0.92 0.00 0.00 -1.47 0.00 0.00 33.84 31.92 1j3s n VAL 20 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1j3s n GLU 21 N 0.21 0.00 -0.08 7.34 0.28 -1.26 -4.95 120.64 122.19 1j3s n GLU 21 Ca 0.12 -0.28 -0.07 0.00 -0.16 0.00 0.00 57.16 56.77 1j3s n GLU 21 Cb 0.73 -0.15 -0.02 0.00 1.43 0.00 0.00 31.44 33.43 1j3s n GLU 21 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1j3s n LYS 22 N 0.00 0.45 0.00 3.44 3.00 -1.22 -5.04 118.16 118.79 1j3s n LYS 22 Ca 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 58.31 58.58 1j3s n LYS 22 Cb 0.56 -1.40 0.00 0.00 0.00 0.00 0.00 35.03 34.19 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 1.51 -1.35 2.67 3.14 0.00 -1.26 -4.87 105.19 105.02 1j3s n GLY 23 Ca -0.11 0.38 -0.11 0.00 0.00 0.00 0.00 46.02 46.18 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 1.12 3.85 -0.02 0.00 -1.26 -4.95 105.19 103.93 1j3s n GLY 24 Ca 0.00 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.85 3.89 -0.10 1.61 2.47 -1.26 -4.90 119.74 118.59 1j3s s LYS 25 Ca 0.00 0.36 -0.06 0.00 -1.56 0.00 0.00 55.97 54.71 1j3s s LYS 25 Cb 0.00 -2.98 0.04 0.00 -1.46 0.00 0.00 37.83 33.43 1j3s s LYS 25 CO 0.00 0.52 0.25 -3.38 0.16 0.00 0.00 175.35 172.91 1j3s s HIS 26 N -1.41 -0.32 0.00 4.03 -3.43 -1.26 -4.46 115.29 108.43 1j3s s HIS 26 Ca 0.35 0.76 0.00 0.00 -0.80 0.00 0.00 55.06 55.37 1j3s s HIS 26 Cb -0.15 0.07 0.00 0.00 -1.43 0.00 0.00 32.58 31.07 1j3s s HIS 26 CO 0.18 -0.20 0.00 1.63 -2.00 0.00 0.00 174.74 174.35 1j3s n LYS 27 N 3.82 0.00 0.00 -0.38 4.76 -1.26 -4.92 118.16 120.19 1j3s n LYS 27 Ca -0.21 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.01 1j3s n LYS 27 Cb 0.55 -0.04 -0.14 0.00 -1.84 0.00 0.00 35.03 33.55 1j3s n LYS 27 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1j3s n THR 28 N -1.54 1.78 -4.05 -0.18 -1.04 -1.26 -4.91 114.28 103.07 1j3s n THR 28 Ca 0.00 -0.65 -0.28 0.00 -2.04 0.00 0.00 64.05 61.08 1j3s n THR 28 Cb 0.00 -1.73 -0.06 0.00 -1.82 0.00 0.00 70.33 66.72 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 -5.60 1.86 0.19 3.41 0.00 0.24 -4.99 107.32 102.44 1j3s s GLY 29 Ca -0.23 -1.10 -0.30 0.00 0.00 0.00 0.00 44.72 43.09 1j3s s GLY 29 CO 0.76 -1.10 1.38 2.56 0.00 0.00 0.00 173.10 176.71 1j3s s PRO 30 N -2.78 4.33 -0.77 2.90 0.04 -1.26 -4.56 135.00 132.90 1j3s s PRO 30 Ca 0.31 2.14 -0.29 0.00 0.04 0.00 0.00 61.00 63.20 1j3s s PRO 30 Cb -0.11 -3.18 -0.15 0.00 0.04 0.00 0.00 34.50 31.09 1j3s s PRO 30 CO 0.23 -0.36 2.57 -1.71 0.04 0.00 0.00 177.00 177.77 1j3s n ASN 31 N 2.98 1.22 -3.66 6.66 4.05 -1.26 -4.76 115.26 120.48 1j3s n ASN 31 Ca 0.08 -0.14 -0.41 0.00 0.45 0.00 0.00 54.58 54.56 1j3s n ASN 31 Cb 0.42 -1.22 -0.01 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 12.99 7.25 -0.27 1.20 4.32 -1.26 -4.50 117.00 136.74 1j3s n LEU 32 Ca 0.53 -4.30 0.11 0.00 -0.02 0.00 0.00 56.01 52.33 1j3s n LEU 32 Cb 0.27 -1.60 0.02 0.00 -1.62 0.00 0.00 43.42 40.48 1j3s n LEU 32 CO 0.84 1.38 0.23 1.57 -1.22 0.00 0.00 177.39 180.18 1j3s n HIS 33 N 5.08 0.00 -2.68 -1.77 -0.00 -1.26 -4.68 115.22 109.90 1j3s n HIS 33 Ca 0.56 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.69 1j3s n HIS 33 Cb 0.35 -0.03 0.10 0.00 -0.12 0.00 0.00 29.99 30.29 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 1.44 -0.91 0.08 1.57 0.00 -1.26 -4.73 105.19 101.39 1j3s n GLY 34 Ca 0.08 0.63 -0.08 0.00 0.00 0.00 0.00 46.02 46.65 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 2.57 0.09 -9.38 0.99 5.85 -1.88 -3.39 115.31 110.15 1j3s h LEU 35 Ca -0.25 -0.08 -0.54 0.00 0.84 0.00 0.00 57.88 57.85 1j3s h LEU 35 Cb 1.18 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 42.19 1j3s h LEU 35 CO 0.02 1.01 0.93 -0.36 -0.34 0.00 0.00 178.44 179.70 1j3s s PHE 36 N -2.86 2.57 -0.47 1.25 0.40 -1.26 -2.02 117.98 115.59 1j3s s PHE 36 Ca -0.00 0.54 0.00 0.00 -0.60 0.00 0.00 56.93 56.87 1j3s s PHE 36 Cb 0.10 -3.81 0.00 0.00 0.51 0.00 0.00 43.02 39.82 1j3s s PHE 36 CO 0.82 -3.17 0.00 0.41 0.70 0.00 0.00 175.22 173.98 1j3s n GLY 37 N 3.84 0.24 3.02 4.36 0.00 -0.98 -4.99 105.19 110.68 1j3s n GLY 37 Ca 0.15 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 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 -4.01 0.16 1.22 1.61 3.00 -0.86 -5.03 118.95 115.04 1j3s s ARG 38 Ca 0.00 0.75 -0.16 0.00 -1.00 0.00 0.00 55.73 55.31 1j3s s ARG 38 Cb 0.00 -0.03 0.29 0.00 0.00 0.00 0.00 34.95 35.22 1j3s s ARG 38 CO 0.00 -0.28 1.02 -1.59 0.00 0.00 0.00 175.30 174.46 1j3s s LYS 39 N 2.36 -1.34 0.80 5.12 0.00 -1.26 -3.84 119.74 121.58 1j3s s LYS 39 Ca 0.01 0.43 -0.08 0.00 0.00 0.00 0.00 55.97 56.33 1j3s s LYS 39 Cb -0.12 -1.54 0.13 0.00 0.00 0.00 0.00 37.83 36.31 1j3s s LYS 39 CO -0.09 -3.90 1.12 0.95 0.00 0.00 0.00 175.35 173.43 1j3s s THR 40 N -2.58 2.13 -0.22 3.79 -4.23 -1.26 -4.80 115.64 108.46 1j3s s THR 40 Ca 0.68 -0.28 -0.08 0.00 -1.18 0.00 0.00 61.69 60.83 1j3s s THR 40 Cb -0.18 -2.85 0.03 0.00 1.34 0.00 0.00 72.50 70.84 1j3s s THR 40 CO 0.60 0.00 0.16 0.61 -0.54 0.00 0.00 174.62 175.46 1j3s n GLY 41 N -3.20 -4.93 2.13 3.99 0.00 -1.26 -4.71 105.19 97.20 1j3s n GLY 41 Ca 0.13 1.33 0.00 0.00 0.00 0.00 0.00 46.02 47.48 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 1.33 0.00 -1.53 1.61 -0.06 -1.26 -5.06 117.38 112.41 1j3s n GLN 42 Ca -0.28 0.00 -0.52 0.00 -2.00 0.00 0.00 57.00 54.20 1j3s n GLN 42 Cb 0.43 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.55 1j3s n GLN 42 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1j3s n ALA 43 N -3.02 -2.08 -1.79 1.69 0.00 -1.26 -4.88 120.51 109.16 1j3s n ALA 43 Ca 0.00 0.51 -0.40 0.00 0.00 0.00 0.00 53.44 53.55 1j3s n ALA 43 Cb 0.00 -1.88 -0.06 0.00 0.00 0.00 0.00 19.45 17.51 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 -0.23 4.82 0.00 0.00 0.04 -1.26 -3.83 135.00 134.54 1j3s s PRO 44 Ca 0.79 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.36 1j3s s PRO 44 Cb -1.02 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 30.25 1j3s s PRO 44 CO 0.54 0.46 0.00 0.41 0.04 0.00 0.00 177.00 178.44 1j3s n GLY 45 N 1.51 1.92 3.55 0.56 0.00 -1.26 -4.90 105.19 106.57 1j3s n GLY 45 Ca -0.02 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.00 2.60 -1.26 1.61 6.14 -1.25 -4.93 117.35 120.26 1j3s s TYR 46 Ca 0.00 0.16 -0.19 0.00 0.64 0.00 0.00 57.07 57.68 1j3s s TYR 46 Cb 0.00 -4.41 0.03 0.00 0.42 0.00 0.00 41.96 38.00 1j3s s TYR 46 CO 0.00 -1.63 1.77 -1.54 0.64 0.00 0.00 175.55 174.80 1j3s s SER 47 N 3.12 6.40 0.92 4.32 1.04 -1.26 -4.61 113.70 123.64 1j3s s SER 47 Ca 0.37 -2.21 -0.18 0.00 0.48 0.00 0.00 55.95 54.41 1j3s s SER 47 Cb -0.09 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.42 1j3s s SER 47 CO 0.21 -1.63 -0.56 -1.22 0.98 0.00 0.00 173.24 171.02 1j3s n TYR 48 N 9.81 -1.52 -1.71 5.02 4.02 -1.26 -4.47 117.16 127.05 1j3s n TYR 48 Ca 0.47 0.43 -0.17 0.00 -0.01 0.00 0.00 57.90 58.62 1j3s n TYR 48 Cb 0.46 -1.42 -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 -0.08 -1.01 0.00 0.00 176.86 175.77 1j3s s THR 49 N -2.06 3.14 0.40 -0.72 -1.32 -1.26 -4.72 115.64 109.11 1j3s s THR 49 Ca 0.33 -0.17 0.25 0.00 -1.21 0.00 0.00 61.69 60.89 1j3s s THR 49 Cb 0.01 -3.62 0.42 0.00 -1.51 0.00 0.00 72.50 67.80 1j3s s THR 49 CO 0.46 -0.29 1.61 0.00 -2.21 0.00 0.00 174.62 174.19 1j3s h ALA 50 N 11.84 2.46 -0.52 11.08 0.00 -1.95 -0.96 119.26 141.22 1j3s h ALA 50 Ca 0.04 0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.18 1j3s h ALA 50 Cb 0.99 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 1j3s h ALA 50 CO 1.06 -1.15 -0.31 0.00 0.00 0.00 0.00 179.25 178.86 1j3s n ALA 51 N -2.41 -0.33 -0.23 0.00 0.00 -1.26 0.05 120.51 116.33 1j3s n ALA 51 Ca 0.37 0.44 -0.01 0.00 0.00 0.00 0.00 53.44 54.24 1j3s n ALA 51 Cb 1.34 0.16 0.06 0.00 0.00 0.00 0.00 19.45 21.01 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 -0.81 -0.93 0.00 -0.73 -1.54 0.26 115.58 111.83 1j3s h ASN 52 Ca 0.08 0.22 0.20 0.00 1.87 0.00 0.00 56.30 58.67 1j3s h ASN 52 Cb 0.21 0.48 -0.11 0.00 0.27 0.00 0.00 38.32 39.17 1j3s h ASN 52 CO -0.49 -0.26 0.50 0.50 -0.37 0.00 0.00 177.43 177.32 1j3s h LYS 53 N -0.05 0.56 -0.06 6.67 3.64 -0.44 0.15 116.57 127.05 1j3s h LYS 53 Ca 0.31 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.52 1j3s h LYS 53 Cb 0.53 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1j3s h LYS 53 CO -0.71 0.37 -0.57 -0.91 -2.27 0.00 0.00 179.45 175.36 1j3s h ASN 54 N 0.58 0.21 0.00 4.20 2.35 0.82 -2.77 115.58 120.98 1j3s h ASN 54 Ca 0.56 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 56.19 1j3s h ASN 54 Cb 0.95 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.26 1j3s h ASN 54 CO -0.44 0.74 0.21 0.50 -1.65 0.00 0.00 177.43 176.79 1j3s h LYS 55 N 0.15 0.00 -5.05 0.81 1.63 0.35 -3.45 116.57 111.01 1j3s h LYS 55 Ca -0.00 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.54 1j3s h LYS 55 Cb 1.05 0.00 0.15 0.00 -0.60 0.00 0.00 32.23 32.83 1j3s h LYS 55 CO 0.09 0.00 -0.66 0.41 -3.45 0.00 0.00 179.45 175.83 1j3s n GLY 56 N -1.25 -0.38 3.42 5.01 0.00 -1.05 -5.00 105.19 105.94 1j3s n GLY 56 Ca -0.02 0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 3.18 -0.66 -0.61 -1.16 -1.26 -5.07 121.20 112.31 1j3s s ILE 57 Ca 0.10 -0.63 -0.18 0.00 -0.51 0.00 0.00 60.65 59.43 1j3s s ILE 57 Cb -0.01 -2.32 0.13 0.00 0.61 0.00 0.00 42.46 40.86 1j3s s ILE 57 CO 0.61 0.54 0.75 -0.51 -2.81 0.00 0.00 174.94 173.52 1j3s s ILE 58 N 0.03 4.96 -0.31 2.00 1.10 -1.26 -4.32 121.20 123.40 1j3s s ILE 58 Ca -0.04 -1.32 -0.39 0.00 -0.51 0.00 0.00 60.65 58.39 1j3s s ILE 58 Cb -0.14 -4.51 -0.17 0.00 0.15 0.00 0.00 42.46 37.78 1j3s s ILE 58 CO 0.04 -1.14 1.25 0.79 -2.11 0.00 0.00 174.94 173.77 1j3s n TRP 59 N 5.93 1.24 -3.25 3.50 5.03 -1.25 -4.85 117.44 123.79 1j3s n TRP 59 Ca -0.02 0.97 0.00 0.00 3.03 0.00 0.00 57.50 61.47 1j3s n TRP 59 Cb 0.44 -1.88 0.00 0.00 -1.03 0.00 0.00 31.31 28.84 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 2.84 4.39 0.00 6.99 0.00 -1.26 -2.32 105.19 115.83 1j3s n GLY 60 Ca 0.24 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1j3s n GLY 60 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1j3s n GLU 61 N 0.00 0.00 0.03 1.61 0.00 -1.26 -2.42 120.64 118.60 1j3s n GLU 61 Ca 0.00 0.32 0.04 0.00 0.00 0.00 0.00 57.16 57.52 1j3s n GLU 61 Cb 0.00 -0.92 0.43 0.00 0.00 0.00 0.00 31.44 30.95 1j3s n GLU 61 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 1j3s h ASP 62 N 0.00 0.41 -0.31 4.31 3.04 -1.99 -2.00 116.42 119.88 1j3s h ASP 62 Ca 0.00 -0.02 0.01 0.00 -3.24 0.00 0.00 57.03 53.78 1j3s h ASP 62 Cb 0.00 -0.10 -0.02 0.00 -1.04 0.00 0.00 39.33 38.17 1j3s h ASP 62 CO 0.00 0.33 0.18 0.71 -2.04 0.00 0.00 179.24 178.42 1j3s h THR 63 N 0.48 1.03 -0.53 1.15 1.35 -1.92 -1.35 112.91 113.13 1j3s h THR 63 Ca 0.13 -0.13 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 1j3s h THR 63 Cb -0.01 0.63 -0.03 0.00 -1.73 0.00 0.00 68.15 67.02 1j3s h THR 63 CO -0.02 0.07 0.25 0.25 -0.25 0.00 0.00 175.52 175.81 1j3s h LEU 64 N 0.37 0.66 -1.49 3.87 6.46 -1.03 -1.51 115.31 122.64 1j3s h LEU 64 Ca 0.12 -0.06 0.11 0.00 -0.12 0.00 0.00 57.88 57.93 1j3s h LEU 64 Cb 0.00 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 39.71 1j3s h LEU 64 CO -0.06 0.57 0.48 -0.03 -0.62 0.00 0.00 178.44 178.78 1j3s h MET 65 N 0.74 0.54 0.41 1.25 4.05 -0.70 0.28 114.93 121.50 1j3s h MET 65 Ca 0.18 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.55 1j3s h MET 65 Cb 0.08 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.77 1j3s h MET 65 CO -0.02 0.36 -0.20 1.49 0.23 0.00 0.00 176.91 178.76 1j3s h GLU 66 N 0.55 -0.53 -0.06 0.39 4.22 -0.95 -0.35 114.58 117.85 1j3s h GLU 66 Ca 0.34 0.04 0.02 0.00 0.08 0.00 0.00 59.36 59.83 1j3s h GLU 66 Cb 0.57 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1j3s h GLU 66 CO -0.12 -0.35 0.27 -0.92 -2.18 0.00 0.00 179.01 175.71 1j3s h TYR 67 N -1.15 0.00 0.05 0.92 3.20 -1.31 0.99 116.97 119.68 1j3s h TYR 67 Ca -0.06 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.51 1j3s h TYR 67 Cb 0.42 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 1j3s h TYR 67 CO 0.00 0.00 -1.66 1.25 -1.64 0.00 0.00 178.16 176.11 1j3s h LEU 68 N 0.00 0.17 -2.36 2.82 5.85 -0.86 -1.72 115.31 119.20 1j3s h LEU 68 Ca 0.03 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 1j3s h LEU 68 Cb 0.58 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 1j3s h LEU 68 CO -0.00 1.27 -0.04 -0.08 -0.34 0.00 0.00 178.44 179.25 1j3s h GLU 69 N 0.03 0.00 -0.11 1.25 4.81 1.00 -3.40 114.58 118.16 1j3s h GLU 69 Ca -0.28 0.00 0.22 0.00 -0.13 0.00 0.00 59.36 59.17 1j3s h GLU 69 Cb 2.00 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 31.20 1j3s h GLU 69 CO 0.10 0.04 0.01 1.21 -0.73 0.00 0.00 179.01 179.64 1j3s s ASN 70 N -5.95 -0.18 0.22 1.04 3.84 -1.00 -4.95 114.94 107.96 1j3s s ASN 70 Ca -0.04 -0.02 0.08 0.00 0.21 0.00 0.00 52.86 53.09 1j3s s ASN 70 Cb 0.14 0.80 0.18 0.00 -0.55 0.00 0.00 41.25 41.82 1j3s s ASN 70 CO 0.53 -0.03 1.50 1.55 -2.79 0.00 0.00 177.10 177.87 1j3s h PRO 71 N 6.45 0.07 0.00 0.43 0.13 -1.52 -1.77 132.00 135.79 1j3s h PRO 71 Ca -0.09 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1j3s h PRO 71 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1j3s h PRO 71 CO -0.13 0.77 0.00 1.17 -0.23 0.00 0.00 178.00 179.58 1j3s n LYS 72 N -3.71 0.16 -0.10 0.86 4.81 -1.26 -1.62 118.16 117.30 1j3s n LYS 72 Ca -0.02 0.26 -0.24 0.00 -0.87 0.00 0.00 58.31 57.45 1j3s n LYS 72 Cb 0.71 -1.74 -0.11 0.00 0.02 0.00 0.00 35.03 33.90 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 -2.03 0.62 0.12 1.64 4.81 -1.04 -4.59 118.16 117.68 1j3s n LYS 73 Ca 0.04 0.33 -0.05 0.00 -0.87 0.00 0.00 58.31 57.75 1j3s n LYS 73 Cb 0.31 -1.60 -0.03 0.00 0.02 0.00 0.00 35.03 33.73 1j3s n LYS 73 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 1j3s h TYR 74 N -0.62 -0.32 -3.27 5.64 3.20 -1.35 -3.42 116.97 116.83 1j3s h TYR 74 Ca -0.54 -0.01 -0.55 0.00 3.14 0.00 0.00 58.73 60.77 1j3s h TYR 74 Cb 1.66 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 40.00 1j3s h TYR 74 CO 0.01 -0.20 0.54 0.42 -1.64 0.00 0.00 178.16 177.30 1j3s s ILE 75 N -2.80 4.72 -1.16 1.81 -1.09 -0.64 -4.93 121.20 117.11 1j3s s ILE 75 Ca -0.05 1.98 -0.19 0.00 -2.23 0.00 0.00 60.65 60.16 1j3s s ILE 75 Cb 0.01 -4.27 -0.04 0.00 -1.58 0.00 0.00 42.46 36.57 1j3s s ILE 75 CO 0.15 0.04 1.97 -0.81 -1.23 0.00 0.00 174.94 175.06 1j3s n PRO 76 N 4.78 2.26 0.00 2.79 -0.04 -1.26 -3.23 135.00 140.29 1j3s n PRO 76 Ca 0.08 -2.49 0.00 0.00 -0.04 0.00 0.00 63.50 61.05 1j3s n PRO 76 Cb 0.49 -3.31 0.00 0.00 -0.04 0.00 0.00 33.50 30.63 1j3s n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j3s n GLY 77 N 4.86 1.66 3.33 0.55 0.00 -1.26 -4.85 105.19 109.48 1j3s n GLY 77 Ca 0.49 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.15 0.00 -0.46 2.61 5.66 -1.20 -4.87 114.28 115.87 1j3s n THR 78 Ca 0.00 -0.24 0.09 0.00 -3.05 0.00 0.00 64.05 60.85 1j3s n THR 78 Cb 0.00 -0.52 0.29 0.00 -1.55 0.00 0.00 70.33 68.55 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 -1.14 3.13 -4.38 1.09 5.02 -1.26 -4.90 118.16 115.72 1j3s n LYS 79 Ca 0.04 -2.62 -0.23 0.00 -2.02 0.00 0.00 58.31 53.48 1j3s n LYS 79 Cb 0.56 -1.63 -0.17 0.00 -0.02 0.00 0.00 35.03 33.78 1j3s n LYS 79 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j3s s MET 80 N -1.42 1.41 -0.49 1.97 0.23 -1.26 -5.00 119.30 114.73 1j3s s MET 80 Ca 0.43 -0.30 0.02 0.00 -1.03 0.00 0.00 55.69 54.82 1j3s s MET 80 Cb 0.26 -1.25 0.45 0.00 -1.53 0.00 0.00 34.83 32.76 1j3s s MET 80 CO 0.25 -0.04 1.64 1.51 -2.03 0.00 0.00 175.02 176.34 1j3s n ILE 81 N 4.02 3.12 -0.35 3.16 0.13 -1.26 -4.63 119.36 123.55 1j3s n ILE 81 Ca -0.22 -3.54 -0.01 0.00 -1.10 0.00 0.00 62.75 57.87 1j3s n ILE 81 Cb 0.51 -1.15 0.14 0.00 -0.84 0.00 0.00 39.64 38.31 1j3s n ILE 81 CO 0.00 0.00 0.00 0.15 2.80 0.00 0.00 176.55 179.50 1j3s h PHE 82 N 2.09 1.20 -0.07 9.51 3.57 -1.98 -3.44 116.94 127.82 1j3s h PHE 82 Ca 0.50 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.91 1j3s h PHE 82 Cb 1.15 -0.40 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 1j3s h PHE 82 CO 1.16 0.74 0.14 1.33 -2.23 0.00 0.00 178.31 179.45 1j3s n VAL 83 N -4.40 0.00 0.00 1.41 0.24 -1.26 -4.69 118.33 109.63 1j3s n VAL 83 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 1j3s n VAL 83 Cb 0.03 -0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 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 0.79 0.00 3.85 7.63 0.00 -1.26 -5.14 105.19 111.06 1j3s n GLY 84 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 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 1.96 -0.18 -0.61 1.09 -1.26 -5.06 121.20 117.14 1j3s s ILE 85 Ca 0.00 -1.55 0.06 0.00 -1.10 0.00 0.00 60.65 58.05 1j3s s ILE 85 Cb 0.00 -2.52 0.18 0.00 -1.06 0.00 0.00 42.46 39.06 1j3s s ILE 85 CO 0.00 0.00 0.99 0.29 -0.10 0.00 0.00 174.94 176.12 1j3s n LYS 86 N -1.56 0.60 -3.75 2.79 4.76 -1.26 -5.13 118.16 114.61 1j3s n LYS 86 Ca -0.02 -0.62 -0.16 0.00 -2.87 0.00 0.00 58.31 54.64 1j3s n LYS 86 Cb 0.64 0.16 -0.16 0.00 -1.84 0.00 0.00 35.03 33.83 1j3s n LYS 86 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1j3s s LYS 87 N 0.06 -0.04 -0.04 1.97 2.47 -1.26 -5.05 119.74 117.85 1j3s s LYS 87 Ca 0.05 0.23 -0.22 0.00 -1.56 0.00 0.00 55.97 54.47 1j3s s LYS 87 Cb 0.20 -0.31 -0.15 0.00 -1.46 0.00 0.00 37.83 36.10 1j3s s LYS 87 CO -0.06 -0.20 0.94 -0.22 0.16 0.00 0.00 175.35 175.97 1j3s h LYS 88 N 7.55 -0.27 -0.85 4.03 3.64 -2.00 -2.77 116.57 125.90 1j3s h LYS 88 Ca -0.39 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.13 1j3s h LYS 88 Cb 1.12 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.92 1j3s h LYS 88 CO 0.41 0.12 0.47 1.05 -2.27 0.00 0.00 179.45 179.23 1j3s h GLU 89 N -0.85 0.72 -0.92 1.90 4.11 -2.00 -0.16 114.58 117.38 1j3s h GLU 89 Ca -0.03 -0.04 0.01 0.00 0.07 0.00 0.00 59.36 59.37 1j3s h GLU 89 Cb 0.51 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 1j3s h GLU 89 CO 0.05 0.48 0.61 1.49 0.07 0.00 0.00 179.01 181.70 1j3s h GLU 90 N 0.74 1.21 0.06 1.06 4.81 -1.98 -1.64 114.58 118.83 1j3s h GLU 90 Ca 0.44 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.59 1j3s h GLU 90 Cb 0.50 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 1j3s h GLU 90 CO -0.30 0.80 -0.03 0.00 -0.73 0.00 0.00 179.01 178.75 1j3s h ARG 91 N 1.24 -0.09 -1.01 1.92 2.47 -0.73 -0.24 114.38 117.94 1j3s h ARG 91 Ca 0.34 0.01 0.08 0.00 -1.26 0.00 0.00 59.98 59.14 1j3s h ARG 91 Cb -0.14 0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 28.13 1j3s h ARG 91 CO -0.07 -0.06 0.65 0.00 0.56 0.00 0.00 179.97 181.05 1j3s h ALA 92 N 0.85 1.42 0.00 0.04 0.00 -1.02 0.31 119.26 120.86 1j3s h ALA 92 Ca -0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1j3s h ALA 92 Cb 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1j3s h ALA 92 CO 0.01 0.41 -0.34 0.22 0.00 0.00 0.00 179.25 179.55 1j3s h ASP 93 N 1.15 0.00 -0.19 0.00 1.82 -0.68 -1.10 116.42 117.42 1j3s h ASP 93 Ca 0.45 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 57.07 1j3s h ASP 93 Cb 0.22 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.23 1j3s h ASP 93 CO -0.19 0.34 0.05 -0.07 -1.61 0.00 0.00 179.24 177.77 1j3s h LEU 94 N 0.00 0.28 -0.83 2.28 3.38 0.85 -2.52 115.31 118.75 1j3s h LEU 94 Ca -0.00 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 1j3s h LEU 94 Cb 0.62 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1j3s h LEU 94 CO 0.04 0.42 -0.56 0.40 0.09 0.00 0.00 178.44 178.84 1j3s h ILE 95 N 0.13 1.39 -0.32 1.22 1.08 -1.27 -2.76 117.51 116.98 1j3s h ILE 95 Ca 0.06 -1.90 0.04 0.00 -0.39 0.00 0.00 64.86 62.67 1j3s h ILE 95 Cb 0.25 2.00 -0.04 0.00 -3.07 0.00 0.00 36.82 35.96 1j3s h ILE 95 CO -0.00 0.55 0.10 0.00 -0.69 0.00 0.00 178.15 178.11 1j3s h ALA 96 N 1.38 0.36 -0.14 1.87 0.00 -0.86 0.59 119.26 122.45 1j3s h ALA 96 Ca -0.00 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1j3s h ALA 96 Cb 1.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1j3s h ALA 96 CO 0.08 -0.30 -0.44 -0.92 0.00 0.00 0.00 179.25 177.66 1j3s h TYR 97 N 0.23 0.41 0.00 0.00 3.20 -1.40 -1.86 116.97 117.55 1j3s h TYR 97 Ca 0.15 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1j3s h TYR 97 Cb 0.13 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.31 1j3s h TYR 97 CO -0.15 0.73 0.00 1.28 -1.64 0.00 0.00 178.16 178.38 1j3s n LEU 98 N -4.00 0.00 -0.01 2.82 7.99 -0.63 -1.04 117.00 122.14 1j3s n LEU 98 Ca -0.02 0.47 0.11 0.00 -0.01 0.00 0.00 56.01 56.56 1j3s n LEU 98 Cb 0.51 -0.47 -0.15 0.00 -0.11 0.00 0.00 43.42 43.20 1j3s n LEU 98 CO 0.43 -0.03 -0.51 1.17 -1.51 0.00 0.00 177.39 176.94 1j3s n LYS 99 N -1.47 0.44 -0.01 3.23 0.00 0.20 -3.00 118.16 117.55 1j3s n LYS 99 Ca 0.07 -0.13 0.06 0.00 0.00 0.00 0.00 58.31 58.31 1j3s n LYS 99 Cb 0.31 -1.51 -0.09 0.00 0.00 0.00 0.00 35.03 33.73 1j3s n LYS 99 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1j3s n LYS 100 N -1.99 0.39 -0.04 1.64 5.02 -0.76 -2.61 118.16 119.81 1j3s n LYS 100 Ca -0.01 -0.11 -0.22 0.00 -2.02 0.00 0.00 58.31 55.95 1j3s n LYS 100 Cb 0.48 -1.29 -0.13 0.00 -0.02 0.00 0.00 35.03 34.08 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 -1.93 0.89 -0.07 7.82 0.00 -0.20 -4.06 120.51 122.96 1j3s n ALA 101 Ca -0.02 -0.60 -0.08 0.00 0.00 0.00 0.00 53.44 52.73 1j3s n ALA 101 Cb 0.32 -0.58 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 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 -3.79 1.43 0.06 0.00 -2.24 -1.24 -4.47 114.28 104.03 1j3s n THR 102 Ca -0.34 0.16 0.21 0.00 -2.27 0.00 0.00 64.05 61.81 1j3s n THR 102 Cb 0.93 -2.17 0.74 0.00 -2.10 0.00 0.00 70.33 67.73 1j3s n THR 102 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1j3s h ASN 103 N -0.80 0.00 0.00 3.42 -1.24 -1.65 -3.47 115.58 111.84 1j3s h ASN 103 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.97 1j3s h ASN 103 Cb 0.85 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.90 1j3s h ASN 103 CO -0.03 0.00 0.00 1.21 -1.29 0.00 0.00 177.43 177.32