#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjq n GLY 13 N 0.00 -0.02 3.53 0.23 0.00 -1.26 -5.14 105.19 102.52 1sjq n GLY 13 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1sjq n GLY 13 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sjq s VAL 14 N -0.94 0.00 -0.44 1.61 -7.23 -1.26 -5.11 120.40 107.02 1sjq s VAL 14 Ca 0.00 0.00 -0.27 0.00 -1.81 0.00 0.00 61.98 59.90 1sjq s VAL 14 Cb 0.00 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.92 1sjq s VAL 14 CO 0.00 0.00 1.89 -2.16 -0.31 0.00 0.00 175.10 174.52 1sjq s PRO 15 N -2.38 2.96 -0.27 4.82 0.04 -1.26 -4.93 135.00 133.98 1sjq s PRO 15 Ca 0.02 1.15 -0.01 0.00 0.04 0.00 0.00 61.00 62.20 1sjq s PRO 15 Cb -0.01 -4.31 0.13 0.00 0.04 0.00 0.00 34.50 30.36 1sjq s PRO 15 CO -0.04 -2.31 0.29 -1.12 0.04 0.00 0.00 177.00 173.86 1sjq s SER 16 N 7.43 1.51 0.12 6.66 0.01 -1.26 -4.99 113.70 123.19 1sjq s SER 16 Ca 0.77 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 57.44 1sjq s SER 16 Cb -0.19 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.58 1sjq s SER 16 CO 0.28 -0.37 0.00 -2.11 0.41 0.00 0.00 173.24 171.45 1sjq n ARG 17 N 5.32 0.00 -2.89 12.44 1.85 -1.26 -4.66 116.66 127.45 1sjq n ARG 17 Ca -0.03 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.39 1sjq n ARG 17 Cb 0.47 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.84 1sjq n ARG 17 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1sjq s VAL 18 N -2.00 4.44 0.00 8.89 1.01 -1.26 -1.41 120.40 130.07 1sjq s VAL 18 Ca 0.00 -0.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.73 1sjq s VAL 18 Cb 0.00 -4.55 -0.05 0.00 0.00 0.00 0.00 36.38 31.78 1sjq s VAL 18 CO 0.00 -1.18 0.66 -0.51 0.00 0.00 0.00 175.10 174.07 1sjq s ILE 19 N 3.80 4.87 -0.36 2.22 2.07 -0.61 -2.23 121.20 130.97 1sjq s ILE 19 Ca 0.26 1.39 -0.15 0.00 -1.41 0.00 0.00 60.65 60.73 1sjq s ILE 19 Cb -0.15 -4.00 -0.01 0.00 0.13 0.00 0.00 42.46 38.43 1sjq s ILE 19 CO 0.15 0.38 0.37 -2.28 -1.91 0.00 0.00 174.94 171.65 1sjq s HIS 20 N 0.01 3.20 -0.19 3.50 2.46 0.68 -2.60 115.29 122.35 1sjq s HIS 20 Ca 0.34 -0.09 -0.21 0.00 0.47 0.00 0.00 55.06 55.57 1sjq s HIS 20 Cb -0.19 -2.70 -0.03 0.00 -0.13 0.00 0.00 32.58 29.54 1sjq s HIS 20 CO 0.19 -0.48 0.62 0.42 -2.47 0.00 0.00 174.74 173.03 1sjq s ILE 21 N 2.02 5.03 0.39 0.89 1.01 0.22 -0.46 121.20 130.31 1sjq s ILE 21 Ca 0.12 1.17 0.08 0.00 0.00 0.00 0.00 60.65 62.02 1sjq s ILE 21 Cb -0.17 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 1sjq s ILE 21 CO 0.12 0.12 0.33 -0.13 0.00 0.00 0.00 174.94 175.38 1sjq s ARG 22 N 1.86 2.53 -1.41 2.79 1.81 -0.38 -2.71 118.95 123.43 1sjq s ARG 22 Ca 0.29 -1.52 -0.12 0.00 -1.72 0.00 0.00 55.73 52.65 1sjq s ARG 22 Cb -0.16 -2.35 0.10 0.00 -0.45 0.00 0.00 34.95 32.09 1sjq s ARG 22 CO 0.10 -0.11 0.62 1.17 -0.68 0.00 0.00 175.30 176.41 1sjq n LYS 23 N -1.46 -3.55 -4.84 3.54 0.00 -1.26 -1.45 118.16 109.14 1sjq n LYS 23 Ca 0.02 0.45 -0.32 0.00 0.00 0.00 0.00 58.31 58.46 1sjq n LYS 23 Cb 0.62 -5.19 -0.17 0.00 0.00 0.00 0.00 35.03 30.29 1sjq n LYS 23 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1sjq s LEU 24 N -6.77 2.05 -1.09 3.14 2.96 -1.24 -3.69 118.68 114.04 1sjq s LEU 24 Ca 0.52 -0.56 -0.21 0.00 -0.22 0.00 0.00 54.13 53.65 1sjq s LEU 24 Cb -0.28 -1.38 -0.08 0.00 0.50 0.00 0.00 46.19 44.95 1sjq s LEU 24 CO 0.64 0.10 1.92 -0.81 -1.32 0.00 0.00 176.35 176.88 1sjq n PRO 25 N 3.88 1.83 -0.81 0.98 -0.04 -1.26 -4.19 135.00 135.40 1sjq n PRO 25 Ca -0.20 -2.39 -0.27 0.00 -0.04 0.00 0.00 63.50 60.60 1sjq n PRO 25 Cb 0.52 -3.44 0.02 0.00 -0.04 0.00 0.00 33.50 30.56 1sjq n PRO 25 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1sjq n ILE 26 N 6.96 0.00 -0.34 0.52 2.08 -1.26 -2.31 119.36 125.01 1sjq n ILE 26 Ca 0.47 -0.36 0.00 0.00 0.56 0.00 0.00 62.75 63.42 1sjq n ILE 26 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.33 1sjq n ILE 26 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1sjq n ASP 27 N 2.17 0.00 -3.99 4.38 -0.08 -1.26 -5.03 116.55 112.74 1sjq n ASP 27 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 1sjq n ASP 27 Cb 0.37 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.83 1sjq n ASP 27 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1sjq n VAL 28 N -2.00 0.00 -4.19 5.18 3.14 -0.98 -4.99 118.33 114.49 1sjq n VAL 28 Ca 0.00 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.05 1sjq n VAL 28 Cb 0.00 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 32.70 1sjq n VAL 28 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1sjq s THR 29 N 0.00 4.46 0.23 1.55 -4.23 -1.26 -5.01 115.64 111.39 1sjq s THR 29 Ca 0.00 -0.48 -0.00 0.00 -1.18 0.00 0.00 61.69 60.03 1sjq s THR 29 Cb 0.00 -3.01 -0.00 0.00 1.34 0.00 0.00 72.50 70.83 1sjq s THR 29 CO 0.00 0.38 1.60 -0.33 -0.54 0.00 0.00 174.62 175.73 1sjq h GLU 30 N 4.26 0.50 -0.67 3.99 3.07 -2.00 -2.86 114.58 120.88 1sjq h GLU 30 Ca -0.49 -0.26 0.18 0.00 -0.50 0.00 0.00 59.36 58.29 1sjq h GLU 30 Cb 1.18 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 29.07 1sjq h GLU 30 CO 0.60 0.84 0.47 0.78 -1.40 0.00 0.00 179.01 180.30 1sjq h GLY 31 N 1.10 0.12 0.14 -3.84 0.00 -1.98 0.26 103.07 98.88 1sjq h GLY 31 Ca 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1sjq h GLY 31 CO 0.08 0.01 -0.05 0.83 0.00 0.00 0.00 176.54 177.40 1sjq h GLU 32 N 0.07 -0.14 -0.80 4.80 3.07 -1.93 0.74 114.58 120.38 1sjq h GLU 32 Ca 0.32 0.01 0.13 0.00 -0.50 0.00 0.00 59.36 59.32 1sjq h GLU 32 Cb 1.18 0.03 -0.09 0.00 -0.84 0.00 0.00 28.75 29.04 1sjq h GLU 32 CO -0.02 0.09 0.40 0.28 -1.40 0.00 0.00 179.01 178.35 1sjq h VAL 33 N -1.01 0.77 -0.07 3.13 2.07 -1.37 -2.09 116.25 117.68 1sjq h VAL 33 Ca -0.02 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 1sjq h VAL 33 Cb 0.30 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1sjq h VAL 33 CO 0.02 0.11 -0.21 0.40 0.02 0.00 0.00 177.57 177.92 1sjq h ILE 34 N 0.61 1.43 -1.44 4.57 5.03 -0.61 -2.99 117.51 124.11 1sjq h ILE 34 Ca 0.42 -1.59 0.47 0.00 -0.12 0.00 0.00 64.86 64.05 1sjq h ILE 34 Cb 0.54 2.28 -0.12 0.00 -3.03 0.00 0.00 36.82 36.49 1sjq h ILE 34 CO -0.33 0.45 0.96 -0.24 -0.68 0.00 0.00 178.15 178.31 1sjq n SER 35 N -4.53 0.15 0.11 1.72 2.88 0.25 0.25 113.62 114.45 1sjq n SER 35 Ca -0.08 1.21 -0.23 0.00 -1.33 0.00 0.00 58.87 58.44 1sjq n SER 35 Cb 0.43 -0.60 -0.15 0.00 -0.75 0.00 0.00 64.21 63.14 1sjq n SER 35 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1sjq h LEU 36 N 0.00 0.70 -0.87 2.46 3.38 -1.46 -3.29 115.31 116.23 1sjq h LEU 36 Ca 0.84 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1sjq h LEU 36 Cb 2.89 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 43.41 1sjq h LEU 36 CO -0.33 1.70 0.00 1.23 0.09 0.00 0.00 178.44 181.13 1sjq h GLY 37 N 0.57 0.00 -0.29 0.83 0.00 0.35 -3.31 103.07 101.23 1sjq h GLY 37 Ca -0.28 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.09 1sjq h GLY 37 CO 0.23 0.00 -0.52 1.41 0.00 0.00 0.00 176.54 177.66 1sjq h LEU 38 N 0.00 -1.70 -1.34 3.11 -0.00 0.23 0.21 115.31 115.82 1sjq h LEU 38 Ca 0.00 0.22 -0.07 0.00 -0.00 0.00 0.00 57.88 58.03 1sjq h LEU 38 Cb 0.54 0.69 -0.01 0.00 -0.00 0.00 0.00 40.66 41.88 1sjq h LEU 38 CO 0.00 -0.41 -0.28 1.55 -0.00 0.00 0.00 178.44 179.31 1sjq h PRO 39 N -0.44 0.09 -0.74 1.13 0.13 -1.79 -2.84 132.00 127.54 1sjq h PRO 39 Ca 0.05 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 65.10 1sjq h PRO 39 Cb 0.59 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.68 1sjq h PRO 39 CO -0.51 0.36 0.26 0.74 -0.23 0.00 0.00 178.00 178.62 1sjq h PHE 40 N 0.08 1.17 0.00 1.56 0.04 -1.27 -3.49 116.94 115.02 1sjq h PHE 40 Ca 0.01 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.67 1sjq h PHE 40 Cb 0.54 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.34 1sjq h PHE 40 CO 0.00 0.91 0.00 0.41 -0.60 0.00 0.00 178.31 179.03 1sjq n GLY 41 N -0.79 -1.49 3.29 -1.45 0.00 0.61 -2.28 105.19 103.08 1sjq n GLY 41 Ca 0.06 0.62 -0.13 0.00 0.00 0.00 0.00 46.02 46.56 1sjq n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sjq s LYS 42 N 0.00 0.53 -1.15 1.61 1.02 -1.25 -4.68 119.74 115.81 1sjq s LYS 42 Ca 0.00 0.38 -0.15 0.00 0.02 0.00 0.00 55.97 56.22 1sjq s LYS 42 Cb 0.00 0.25 0.15 0.00 -0.52 0.00 0.00 37.83 37.71 1sjq s LYS 42 CO 0.00 -0.09 1.39 0.08 -0.92 0.00 0.00 175.35 175.81 1sjq s VAL 43 N -0.17 4.88 -1.27 3.17 1.01 -1.26 -1.08 120.40 125.68 1sjq s VAL 43 Ca -0.03 -2.32 0.10 0.00 0.00 0.00 0.00 61.98 59.73 1sjq s VAL 43 Cb -0.03 -4.91 0.14 0.00 0.00 0.00 0.00 36.38 31.58 1sjq s VAL 43 CO 0.02 -1.63 1.24 0.35 0.00 0.00 0.00 175.10 175.08 1sjq n THR 44 N 4.98 0.98 0.00 3.92 -2.24 -0.93 -4.76 114.28 116.23 1sjq n THR 44 Ca 0.35 0.24 0.00 0.00 -2.27 0.00 0.00 64.05 62.37 1sjq n THR 44 Cb 0.45 -1.08 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 1sjq n THR 44 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1sjq n ASN 45 N -1.36 0.00 -3.65 3.42 3.02 -1.21 -4.91 115.26 110.57 1sjq n ASN 45 Ca 0.04 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.30 1sjq n ASN 45 Cb 0.09 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.11 1sjq n ASN 45 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1sjq s LEU 46 N 0.00 1.18 -0.42 3.41 2.96 -1.26 -1.24 118.68 123.30 1sjq s LEU 46 Ca 0.00 -1.23 -0.10 0.00 -0.22 0.00 0.00 54.13 52.58 1sjq s LEU 46 Cb 0.00 -0.55 0.07 0.00 0.50 0.00 0.00 46.19 46.22 1sjq s LEU 46 CO 0.00 -0.40 0.27 -0.22 -1.32 0.00 0.00 176.35 174.68 1sjq s LEU 47 N 1.91 5.18 -0.65 -0.68 1.98 0.76 -4.99 118.68 122.19 1sjq s LEU 47 Ca 0.06 -1.46 -0.21 0.00 -2.89 0.00 0.00 54.13 49.64 1sjq s LEU 47 Cb -0.17 -2.01 0.08 0.00 0.66 0.00 0.00 46.19 44.76 1sjq s LEU 47 CO -0.25 -0.54 0.88 -0.04 -1.89 0.00 0.00 176.35 174.51 1sjq s MET 48 N 1.45 3.11 -0.44 1.98 -1.94 -1.26 0.04 119.30 122.23 1sjq s MET 48 Ca 0.03 -1.04 -0.25 0.00 -1.71 0.00 0.00 55.69 52.72 1sjq s MET 48 Cb -0.23 -4.27 0.02 0.00 2.01 0.00 0.00 34.83 32.37 1sjq s MET 48 CO 0.03 -1.72 0.89 -1.17 -0.01 0.00 0.00 175.02 173.04 1sjq s LEU 49 N 3.52 4.05 0.00 -0.03 0.20 -0.90 -4.79 118.68 120.73 1sjq s LEU 49 Ca 0.19 0.16 -0.07 0.00 0.69 0.00 0.00 54.13 55.10 1sjq s LEU 49 Cb -0.19 -3.16 0.11 0.00 -0.43 0.00 0.00 46.19 42.52 1sjq s LEU 49 CO 0.08 -0.98 0.27 0.29 -0.29 0.00 0.00 176.35 175.72 1sjq n LYS 50 N 6.99 -2.57 -2.16 1.98 4.76 -1.26 -2.97 118.16 122.93 1sjq n LYS 50 Ca 0.05 -0.45 0.00 0.00 -2.87 0.00 0.00 58.31 55.05 1sjq n LYS 50 Cb 0.48 -0.54 0.00 0.00 -1.84 0.00 0.00 35.03 33.13 1sjq n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sjq n GLY 51 N -1.22 -4.37 2.23 0.72 0.00 -1.26 -4.36 105.19 96.93 1sjq n GLY 51 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1sjq n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1sjq n LYS 52 N 1.89 0.00 -2.50 1.61 4.81 -1.26 -4.39 118.16 118.32 1sjq n LYS 52 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 1sjq n LYS 52 Cb 0.00 -0.48 0.03 0.00 0.02 0.00 0.00 35.03 34.59 1sjq n LYS 52 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1sjq n ASN 53 N 0.07 -5.02 -3.82 3.14 5.03 -1.26 -4.92 115.26 108.47 1sjq n ASN 53 Ca 0.00 -0.28 -0.20 0.00 0.87 0.00 0.00 54.58 54.97 1sjq n ASN 53 Cb 0.00 -3.40 -0.17 0.00 -1.02 0.00 0.00 39.78 35.19 1sjq n ASN 53 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1sjq s GLN 54 N -3.52 0.55 0.26 3.52 -1.52 -1.16 -3.72 119.66 114.08 1sjq s GLN 54 Ca 0.17 0.04 0.08 0.00 -1.95 0.00 0.00 55.36 53.70 1sjq s GLN 54 Cb -0.02 -0.74 -0.04 0.00 -0.22 0.00 0.00 33.01 31.98 1sjq s GLN 54 CO 0.44 -0.17 0.09 0.00 -0.25 0.00 0.00 175.29 175.40 1sjq s ALA 55 N 1.31 3.36 -0.12 6.09 0.00 -1.10 -2.12 121.76 129.18 1sjq s ALA 55 Ca -0.05 -1.55 -0.04 0.00 0.00 0.00 0.00 51.96 50.32 1sjq s ALA 55 Cb -0.13 -1.01 0.06 0.00 0.00 0.00 0.00 23.12 22.03 1sjq s ALA 55 CO -0.02 0.25 0.14 -0.06 0.00 0.00 0.00 175.76 176.07 1sjq s PHE 56 N -2.24 -0.07 -0.04 0.00 0.40 0.11 -0.61 117.98 115.53 1sjq s PHE 56 Ca 0.32 0.27 0.03 0.00 -0.60 0.00 0.00 56.93 56.95 1sjq s PHE 56 Cb -0.07 -0.42 -0.03 0.00 0.51 0.00 0.00 43.02 43.01 1sjq s PHE 56 CO 0.22 -0.37 -0.13 0.96 0.70 0.00 0.00 175.22 176.60 1sjq s ILE 57 N 2.24 3.20 -0.54 0.64 -4.36 -1.07 -0.17 121.20 121.14 1sjq s ILE 57 Ca 0.04 -0.73 -0.18 0.00 -0.26 0.00 0.00 60.65 59.52 1sjq s ILE 57 Cb -0.14 -2.28 0.09 0.00 1.25 0.00 0.00 42.46 41.38 1sjq s ILE 57 CO -0.07 0.55 0.60 -0.70 0.24 0.00 0.00 174.94 175.55 1sjq s GLU 58 N -0.88 3.05 -0.15 0.37 2.12 -0.37 -1.58 118.70 121.26 1sjq s GLU 58 Ca 0.12 -1.24 -0.29 0.00 0.36 0.00 0.00 54.97 53.93 1sjq s GLU 58 Cb -0.11 -4.19 -0.05 0.00 0.26 0.00 0.00 34.13 30.05 1sjq s GLU 58 CO 0.02 -1.32 1.76 -1.64 -0.54 0.00 0.00 175.26 173.54 1sjq s MET 59 N 2.34 3.83 0.19 4.30 -1.94 -0.50 -2.20 119.30 125.33 1sjq s MET 59 Ca 0.10 1.97 -0.05 0.00 -1.71 0.00 0.00 55.69 56.00 1sjq s MET 59 Cb -0.23 -4.09 0.33 0.00 2.01 0.00 0.00 34.83 32.85 1sjq s MET 59 CO 0.08 -1.26 1.07 0.09 -0.01 0.00 0.00 175.02 174.98 1sjq n ASN 60 N 8.49 -0.23 -2.28 3.03 4.13 -0.24 -4.60 115.26 123.56 1sjq n ASN 60 Ca 0.20 1.17 -0.08 0.00 1.68 0.00 0.00 54.58 57.55 1sjq n ASN 60 Cb 0.44 -0.36 -0.02 0.00 -1.54 0.00 0.00 39.78 38.30 1sjq n ASN 60 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1sjq n THR 61 N -5.10 0.00 0.12 3.41 -2.24 -1.26 -5.01 114.28 104.20 1sjq n THR 61 Ca 0.11 -0.75 -0.09 0.00 -2.27 0.00 0.00 64.05 61.05 1sjq n THR 61 Cb 0.36 0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.79 1sjq n THR 61 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1sjq h GLU 62 N 0.00 -0.37 -1.88 -0.78 5.08 -1.83 -3.10 114.58 111.70 1sjq h GLU 62 Ca -0.10 0.03 0.55 0.00 -1.00 0.00 0.00 59.36 58.83 1sjq h GLU 62 Cb 0.39 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.64 1sjq h GLU 62 CO 0.16 -0.09 1.35 0.39 -1.00 0.00 0.00 179.01 179.83 1sjq n GLU 63 N -5.04 -0.00 0.01 2.33 -0.58 -1.26 0.18 120.64 116.28 1sjq n GLU 63 Ca -0.07 1.03 -0.07 0.00 -0.42 0.00 0.00 57.16 57.63 1sjq n GLU 63 Cb 0.23 -2.38 -0.06 0.00 -0.57 0.00 0.00 31.44 28.66 1sjq n GLU 63 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sjq h ALA 64 N 0.96 -0.14 0.12 0.62 0.00 -1.45 -2.79 119.26 116.57 1sjq h ALA 64 Ca 0.90 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.64 1sjq h ALA 64 Cb 3.60 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 21.40 1sjq h ALA 64 CO -0.02 -0.17 -0.32 0.00 0.00 0.00 0.00 179.25 178.75 1sjq h ALA 65 N -0.61 -0.54 -0.08 0.00 0.00 -0.19 0.01 119.26 117.86 1sjq h ALA 65 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1sjq h ALA 65 Cb 0.42 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1sjq h ALA 65 CO 0.02 -0.86 0.00 0.09 0.00 0.00 0.00 179.25 178.51 1sjq n ASN 66 N -5.42 0.00 -0.35 0.00 3.02 -0.38 -2.48 115.26 109.67 1sjq n ASN 66 Ca -0.07 0.99 0.29 0.00 -0.03 0.00 0.00 54.58 55.76 1sjq n ASN 66 Cb 0.33 -0.49 0.55 0.00 -0.61 0.00 0.00 39.78 39.56 1sjq n ASN 66 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1sjq h THR 67 N 0.00 0.15 -0.05 3.41 2.02 -1.52 0.63 112.91 117.55 1sjq h THR 67 Ca 0.00 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.14 1sjq h THR 67 Cb 0.00 -0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.35 1sjq h THR 67 CO 0.00 0.03 -0.39 -0.03 0.37 0.00 0.00 175.52 175.50 1sjq h MET 68 N 0.16 -0.43 0.00 6.66 1.85 -0.66 0.90 114.93 123.41 1sjq h MET 68 Ca 0.79 0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 59.90 1sjq h MET 68 Cb 2.04 0.10 -0.00 0.00 0.43 0.00 0.00 31.60 34.17 1sjq h MET 68 CO -0.64 -0.29 -0.10 0.28 -0.40 0.00 0.00 176.91 175.76 1sjq h VAL 69 N -0.45 1.66 -1.05 -5.77 2.07 -0.97 -2.84 116.25 108.90 1sjq h VAL 69 Ca 0.02 -2.28 0.32 0.00 0.82 0.00 0.00 66.70 65.58 1sjq h VAL 69 Cb 0.50 3.16 -0.14 0.00 -1.52 0.00 0.00 31.29 33.30 1sjq h VAL 69 CO -0.29 0.56 0.62 -1.13 0.02 0.00 0.00 177.57 177.35 1sjq h ASN 70 N -1.00 0.49 0.08 0.57 -0.73 0.15 1.13 115.58 116.27 1sjq h ASN 70 Ca -0.03 0.16 -0.00 0.00 1.87 0.00 0.00 56.30 58.30 1sjq h ASN 70 Cb 0.98 0.11 0.00 0.00 0.27 0.00 0.00 38.32 39.68 1sjq h ASN 70 CO -0.02 -0.09 -0.04 0.22 -0.37 0.00 0.00 177.43 177.14 1sjq h TYR 71 N 0.33 -0.10 0.00 0.67 3.20 -0.93 -3.28 116.97 116.87 1sjq h TYR 71 Ca 0.72 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.59 1sjq h TYR 71 Cb 1.72 0.03 0.00 0.00 1.54 0.00 0.00 36.73 40.02 1sjq h TYR 71 CO -0.01 0.12 0.00 0.66 -1.64 0.00 0.00 178.16 177.30 1sjq n TYR 72 N -4.83 0.32 -0.62 -3.82 4.01 -0.78 -3.05 117.16 108.39 1sjq n TYR 72 Ca -0.03 0.16 0.48 0.00 -0.16 0.00 0.00 57.90 58.35 1sjq n TYR 72 Cb 0.13 -0.75 0.74 0.00 -0.31 0.00 0.00 39.34 39.15 1sjq n TYR 72 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1sjq n THR 73 N -1.82 0.00 -0.02 -0.72 -1.04 0.38 -1.93 114.28 109.13 1sjq n THR 73 Ca 0.00 1.43 -0.04 0.00 -2.04 0.00 0.00 64.05 63.40 1sjq n THR 73 Cb 0.05 -2.41 -0.02 0.00 -1.82 0.00 0.00 70.33 66.13 1sjq n THR 73 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1sjq n SER 74 N -3.77 1.69 -4.73 8.00 2.88 -1.17 -5.01 113.62 111.50 1sjq n SER 74 Ca 0.40 0.02 -0.39 0.00 -1.33 0.00 0.00 58.87 57.58 1sjq n SER 74 Cb 1.92 -0.10 -0.05 0.00 -0.75 0.00 0.00 64.21 65.22 1sjq n SER 74 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1sjq s VAL 75 N -2.08 5.02 -0.03 2.46 1.01 -0.81 -5.07 120.40 120.89 1sjq s VAL 75 Ca -0.06 1.28 -0.08 0.00 0.00 0.00 0.00 61.98 63.12 1sjq s VAL 75 Cb 0.02 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 1sjq s VAL 75 CO 0.09 0.33 0.25 -0.89 0.00 0.00 0.00 175.10 174.87 1sjq s THR 76 N 0.40 5.32 -0.15 3.92 2.01 -1.26 -4.20 115.64 121.68 1sjq s THR 76 Ca 0.33 0.29 -0.16 0.00 0.31 0.00 0.00 61.69 62.46 1sjq s THR 76 Cb -0.17 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 1sjq s THR 76 CO 0.16 0.48 0.40 -2.16 -0.69 0.00 0.00 174.62 172.81 1sjq s PRO 77 N -1.42 4.28 0.10 4.92 0.05 -1.24 -4.97 135.00 136.72 1sjq s PRO 77 Ca 0.23 0.27 0.08 0.00 0.05 0.00 0.00 61.00 61.64 1sjq s PRO 77 Cb -0.13 -3.46 -0.04 0.00 0.05 0.00 0.00 34.50 30.92 1sjq s PRO 77 CO 0.12 0.14 -0.17 0.08 0.05 0.00 0.00 177.00 177.22 1sjq s VAL 78 N 0.73 2.89 -0.32 -0.36 1.01 -1.26 0.94 120.40 124.03 1sjq s VAL 78 Ca 0.21 -1.43 -0.02 0.00 0.00 0.00 0.00 61.98 60.74 1sjq s VAL 78 Cb -0.14 -2.31 0.06 0.00 0.00 0.00 0.00 36.38 33.99 1sjq s VAL 78 CO 0.07 0.14 0.05 -0.22 0.00 0.00 0.00 175.10 175.14 1sjq s LEU 79 N -2.03 4.19 0.00 3.92 1.98 0.17 -4.84 118.68 122.07 1sjq s LEU 79 Ca 0.18 -1.41 0.00 0.00 -2.89 0.00 0.00 54.13 50.00 1sjq s LEU 79 Cb -0.11 -1.74 0.00 0.00 0.66 0.00 0.00 46.19 45.00 1sjq s LEU 79 CO 0.10 -0.32 0.00 0.54 -1.89 0.00 0.00 176.35 174.78 1sjq n ARG 80 N 4.63 0.00 -0.65 1.98 1.74 -1.26 -0.95 116.66 122.14 1sjq n ARG 80 Ca -0.11 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.94 1sjq n ARG 80 Cb 0.43 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.84 1sjq n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sjq n GLY 81 N 0.00 0.58 2.88 -0.13 0.00 -1.26 -5.09 105.19 102.16 1sjq n GLY 81 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1sjq n GLY 81 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sjq s GLN 82 N 0.00 1.36 -0.67 1.61 2.00 -0.13 -5.08 119.66 118.76 1sjq s GLN 82 Ca 0.00 -0.84 -0.26 0.00 -2.00 0.00 0.00 55.36 52.26 1sjq s GLN 82 Cb 0.00 -2.46 -0.05 0.00 0.80 0.00 0.00 33.01 31.30 1sjq s GLN 82 CO 0.00 -0.61 2.05 -1.25 -0.50 0.00 0.00 175.29 174.99 1sjq s PRO 83 N 1.52 2.39 -0.43 1.67 0.04 -1.26 -0.65 135.00 138.27 1sjq s PRO 83 Ca -0.05 0.57 -0.15 0.00 0.04 0.00 0.00 61.00 61.42 1sjq s PRO 83 Cb -0.18 -4.62 0.04 0.00 0.04 0.00 0.00 34.50 29.78 1sjq s PRO 83 CO -0.07 -3.17 0.33 0.96 0.04 0.00 0.00 177.00 175.09 1sjq s ILE 84 N 10.57 5.15 0.56 0.56 -4.36 0.27 -4.74 121.20 129.21 1sjq s ILE 84 Ca 0.77 -0.86 -0.17 0.00 -0.26 0.00 0.00 60.65 60.13 1sjq s ILE 84 Cb -0.12 -3.96 -0.05 0.00 1.25 0.00 0.00 42.46 39.57 1sjq s ILE 84 CO 0.16 -0.42 1.04 -0.31 0.24 0.00 0.00 174.94 175.65 1sjq s TYR 85 N 1.64 3.06 -0.21 1.37 1.51 -0.53 -3.72 117.35 120.48 1sjq s TYR 85 Ca 0.04 1.52 0.00 0.00 -1.01 0.00 0.00 57.07 57.63 1sjq s TYR 85 Cb -0.21 -2.99 0.05 0.00 -0.11 0.00 0.00 41.96 38.70 1sjq s TYR 85 CO 0.08 -0.94 -0.07 0.42 -1.11 0.00 0.00 175.55 173.94 1sjq s ILE 86 N -2.38 1.47 0.30 2.71 1.01 -1.26 -1.25 121.20 121.80 1sjq s ILE 86 Ca 0.64 -1.05 0.06 0.00 0.00 0.00 0.00 60.65 60.29 1sjq s ILE 86 Cb -0.15 -1.68 -0.06 0.00 0.01 0.00 0.00 42.46 40.58 1sjq s ILE 86 CO 0.32 0.01 -0.03 -1.10 0.00 0.00 0.00 174.94 174.14 1sjq s GLN 87 N 1.44 1.62 1.39 2.79 -0.21 0.39 -4.53 119.66 122.54 1sjq s GLN 87 Ca -0.03 -1.85 -0.21 0.00 0.02 0.00 0.00 55.36 53.29 1sjq s GLN 87 Cb -0.18 -1.16 0.35 0.00 1.00 0.00 0.00 33.01 33.03 1sjq s GLN 87 CO -0.07 -0.01 0.95 -0.06 -2.12 0.00 0.00 175.29 173.98 1sjq s PHE 88 N -3.03 -0.36 0.04 0.91 0.08 -1.26 0.25 117.98 114.62 1sjq s PHE 88 Ca 0.31 0.64 0.03 0.00 0.12 0.00 0.00 56.93 58.04 1sjq s PHE 88 Cb 0.05 -2.94 -0.02 0.00 -0.57 0.00 0.00 43.02 39.54 1sjq s PHE 88 CO 0.13 -4.83 -0.10 0.45 -0.10 0.00 0.00 175.22 170.77 1sjq s SER 89 N -3.10 1.14 -0.01 1.36 0.15 -0.95 -2.16 113.70 110.13 1sjq s SER 89 Ca 0.69 -0.49 0.02 0.00 0.70 0.00 0.00 55.95 56.86 1sjq s SER 89 Cb -0.14 -0.02 0.03 0.00 -1.71 0.00 0.00 66.02 64.18 1sjq s SER 89 CO 0.59 -0.10 0.92 -0.46 1.20 0.00 0.00 173.24 175.38 1sjq n ASN 90 N 1.67 0.32 -2.29 5.45 0.23 -1.26 -4.89 115.26 114.49 1sjq n ASN 90 Ca -0.20 -1.92 0.00 0.00 -0.53 0.00 0.00 54.58 51.93 1sjq n ASN 90 Cb 0.55 -0.18 0.00 0.00 -2.08 0.00 0.00 39.78 38.07 1sjq n ASN 90 CO 0.00 0.00 0.00 1.57 -0.93 0.00 0.00 177.26 177.90 1sjq n HIS 91 N -0.17 0.00 -1.91 -2.53 -0.00 -1.26 -4.87 115.22 104.48 1sjq n HIS 91 Ca 0.02 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.83 1sjq n HIS 91 Cb 0.64 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.47 1sjq n HIS 91 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 1sjq n LYS 92 N 0.00 2.09 -0.95 1.57 0.00 -1.26 -4.95 118.16 114.66 1sjq n LYS 92 Ca 0.00 -2.51 -0.34 0.00 -0.00 0.00 0.00 58.31 55.46 1sjq n LYS 92 Cb 0.00 -3.42 0.04 0.00 -0.00 0.00 0.00 35.03 31.65 1sjq n LYS 92 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1sjq n GLU 93 N 7.71 0.00 -3.04 -1.58 1.02 -1.26 -4.88 120.64 118.61 1sjq n GLU 93 Ca 0.48 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 57.23 1sjq n GLU 93 Cb 0.44 -0.95 -0.06 0.00 -0.02 0.00 0.00 31.44 30.85 1sjq n GLU 93 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1sjq s LEU 94 N 7.59 4.53 -0.16 -4.62 1.02 -1.26 -5.06 118.68 120.72 1sjq s LEU 94 Ca 0.38 1.49 -0.04 0.00 0.02 0.00 0.00 54.13 55.98 1sjq s LEU 94 Cb -0.16 -3.19 -0.03 0.00 0.02 0.00 0.00 46.19 42.84 1sjq s LEU 94 CO 0.78 0.15 -0.04 -0.75 0.02 0.00 0.00 176.35 176.51 1sjq s LYS 95 N -0.72 3.64 -0.34 1.70 2.20 -1.26 -5.07 119.74 119.89 1sjq s LYS 95 Ca 0.35 -0.53 -0.06 0.00 -0.36 0.00 0.00 55.97 55.37 1sjq s LYS 95 Cb -0.21 -2.93 0.04 0.00 -1.51 0.00 0.00 37.83 33.23 1sjq s LYS 95 CO 0.23 0.19 0.09 0.95 -0.36 0.00 0.00 175.35 176.46 1sjq s THR 96 N 0.49 3.65 0.00 3.43 -4.23 -1.26 -5.04 115.64 112.68 1sjq s THR 96 Ca -0.03 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1sjq s THR 96 Cb -0.14 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.61 1sjq s THR 96 CO 0.03 -0.19 0.00 -0.90 -0.54 0.00 0.00 174.62 173.02 1sjq n ASP 97 N 4.78 -1.68 -1.93 3.99 5.68 -1.26 -4.99 116.55 121.14 1sjq n ASP 97 Ca -0.12 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.17 1sjq n ASP 97 Cb 0.44 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 1sjq n ASP 97 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1sjq n SER 98 N -3.64 -7.60 0.00 -1.12 7.64 -1.26 -5.27 113.62 102.37 1sjq n SER 98 Ca 0.00 1.31 0.00 0.00 1.01 0.00 0.00 58.87 61.19 1sjq n SER 98 Cb 0.00 -4.15 0.00 0.00 -1.01 0.00 0.00 64.21 59.05 1sjq n SER 98 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83