#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 -2.53 0.46 5.00 0.00 -1.26 -5.03 105.19 101.83 1sjq n GLY 13 Ca 0.00 -0.48 0.07 0.00 0.00 0.00 0.00 46.02 45.61 1sjq n GLY 13 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1sjq n VAL 14 N 0.17 1.60 -0.22 1.61 0.24 -1.26 -4.91 118.33 115.55 1sjq n VAL 14 Ca 0.00 -2.24 -0.06 0.00 -2.04 0.00 0.00 64.34 60.01 1sjq n VAL 14 Cb 0.00 -0.03 -0.05 0.00 -1.47 0.00 0.00 33.84 32.29 1sjq n VAL 14 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1sjq n PRO 15 N -0.96 -0.23 -3.86 7.34 -0.02 -1.26 -4.73 135.00 131.27 1sjq n PRO 15 Ca 0.14 1.04 -0.32 0.00 -2.02 0.00 0.00 63.50 62.34 1sjq n PRO 15 Cb 0.72 -1.54 0.01 0.00 -0.02 0.00 0.00 33.50 32.67 1sjq n PRO 15 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1sjq n SER 16 N -4.28 -3.51 0.05 2.55 7.64 -1.26 -4.61 113.62 110.20 1sjq n SER 16 Ca 0.01 -0.97 0.09 0.00 1.01 0.00 0.00 58.87 59.01 1sjq n SER 16 Cb 0.14 -1.28 0.38 0.00 -1.01 0.00 0.00 64.21 62.44 1sjq n SER 16 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1sjq n ARG 17 N -3.56 0.07 -4.71 1.43 0.63 0.49 -4.49 116.66 106.52 1sjq n ARG 17 Ca -0.15 0.30 -0.32 0.00 -0.92 0.00 0.00 57.85 56.76 1sjq n ARG 17 Cb 0.49 -1.63 -0.12 0.00 0.45 0.00 0.00 32.46 31.65 1sjq n ARG 17 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1sjq s VAL 18 N -3.11 3.10 0.02 5.15 0.11 -1.25 -2.09 120.40 122.33 1sjq s VAL 18 Ca 0.06 -0.90 0.06 0.00 -2.93 0.00 0.00 61.98 58.27 1sjq s VAL 18 Cb 0.10 -2.28 -0.02 0.00 -1.53 0.00 0.00 36.38 32.65 1sjq s VAL 18 CO 0.32 0.46 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.74 1sjq s ILE 19 N -0.86 1.38 0.20 7.04 -1.09 -0.86 -3.47 121.20 123.54 1sjq s ILE 19 Ca 0.14 -0.95 0.08 0.00 -2.23 0.00 0.00 60.65 57.68 1sjq s ILE 19 Cb -0.11 -1.19 -0.04 0.00 -1.58 0.00 0.00 42.46 39.54 1sjq s ILE 19 CO 0.04 0.22 0.02 -2.28 -1.23 0.00 0.00 174.94 171.70 1sjq s HIS 20 N -0.65 2.84 -0.25 3.97 5.65 0.70 -1.53 115.29 126.02 1sjq s HIS 20 Ca 0.06 -0.15 -0.00 0.00 0.25 0.00 0.00 55.06 55.21 1sjq s HIS 20 Cb -0.08 -1.34 0.07 0.00 -1.18 0.00 0.00 32.58 30.06 1sjq s HIS 20 CO 0.01 0.54 0.01 0.42 -0.65 0.00 0.00 174.74 175.06 1sjq s ILE 21 N -1.89 1.25 0.76 0.89 -1.09 -0.34 0.48 121.20 121.26 1sjq s ILE 21 Ca 0.29 -1.23 -0.09 0.00 -2.23 0.00 0.00 60.65 57.39 1sjq s ILE 21 Cb -0.09 -1.70 0.08 0.00 -1.58 0.00 0.00 42.46 39.18 1sjq s ILE 21 CO 0.19 -0.29 1.09 -0.60 -1.23 0.00 0.00 174.94 174.10 1sjq s ARG 22 N 1.49 1.94 -0.30 2.79 6.06 0.23 -2.03 118.95 129.13 1sjq s ARG 22 Ca 0.00 -0.21 -0.04 0.00 -2.50 0.00 0.00 55.73 52.98 1sjq s ARG 22 Cb -0.18 -2.08 0.04 0.00 0.06 0.00 0.00 34.95 32.79 1sjq s ARG 22 CO -0.11 -1.48 0.10 1.63 -2.50 0.00 0.00 175.30 172.94 1sjq n LYS 23 N -3.12 -2.56 -3.49 5.12 5.02 -1.26 -1.49 118.16 116.38 1sjq n LYS 23 Ca 0.09 0.02 -0.43 0.00 -2.02 0.00 0.00 58.31 55.98 1sjq n LYS 23 Cb 0.61 -4.38 -0.09 0.00 -0.02 0.00 0.00 35.03 31.14 1sjq n LYS 23 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1sjq s LEU 24 N -5.20 5.22 -0.70 -0.35 1.98 -1.25 -4.08 118.68 114.31 1sjq s LEU 24 Ca 0.13 -1.18 -0.17 0.00 -2.89 0.00 0.00 54.13 50.03 1sjq s LEU 24 Cb -0.08 -2.11 -0.16 0.00 0.66 0.00 0.00 46.19 44.50 1sjq s LEU 24 CO 0.17 -0.52 1.80 -2.65 -1.89 0.00 0.00 176.35 173.26 1sjq n PRO 25 N 5.10 0.11 -0.79 0.98 -0.02 -1.26 -4.32 135.00 134.80 1sjq n PRO 25 Ca -0.12 -0.92 -0.27 0.00 -2.02 0.00 0.00 63.50 60.18 1sjq n PRO 25 Cb 0.45 -2.74 0.02 0.00 -0.02 0.00 0.00 33.50 31.21 1sjq n PRO 25 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1sjq n ILE 26 N 7.32 0.00 -0.66 4.25 -0.00 -1.26 -1.93 119.36 127.08 1sjq n ILE 26 Ca 0.31 -0.36 0.00 0.00 -0.00 0.00 0.00 62.75 62.70 1sjq n ILE 26 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.09 1sjq n ILE 26 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1sjq n ASP 27 N 2.19 0.00 -3.18 4.38 2.03 -1.26 -5.01 116.55 115.69 1sjq n ASP 27 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1sjq n ASP 27 Cb 0.37 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 1sjq n ASP 27 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1sjq n VAL 28 N -2.00 0.00 -3.91 5.18 3.14 -0.81 -4.96 118.33 114.97 1sjq n VAL 28 Ca 0.00 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.04 1sjq n VAL 28 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.73 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 -0.44 5.43 0.20 1.55 -4.23 -1.26 -5.00 115.64 111.88 1sjq s THR 29 Ca 0.00 -0.06 -0.09 0.00 -1.18 0.00 0.00 61.69 60.37 1sjq s THR 29 Cb 0.00 -3.48 0.12 0.00 1.34 0.00 0.00 72.50 70.48 1sjq s THR 29 CO 0.00 0.42 1.74 -0.33 -0.54 0.00 0.00 174.62 175.91 1sjq h GLU 30 N 4.19 1.11 -0.13 3.99 5.08 -2.00 -2.10 114.58 124.72 1sjq h GLU 30 Ca -0.51 -0.23 0.04 0.00 -1.00 0.00 0.00 59.36 57.66 1sjq h GLU 30 Cb 1.20 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1sjq h GLU 30 CO 0.65 0.94 0.11 0.78 -1.00 0.00 0.00 179.01 180.49 1sjq h GLY 31 N 1.06 0.00 0.26 -3.84 0.00 -1.96 0.19 103.07 98.77 1sjq h GLY 31 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 1sjq h GLY 31 CO -0.01 0.00 -0.12 0.83 0.00 0.00 0.00 176.54 177.23 1sjq h GLU 32 N 0.00 -0.33 -0.77 4.80 5.08 -1.79 0.94 114.58 122.50 1sjq h GLU 32 Ca 0.06 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.53 1sjq h GLU 32 Cb 0.28 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.53 1sjq h GLU 32 CO -0.00 -0.22 0.42 0.28 -1.00 0.00 0.00 179.01 178.49 1sjq h VAL 33 N -0.63 0.90 -0.26 3.13 2.07 -1.37 -1.86 116.25 118.22 1sjq h VAL 33 Ca -0.04 -0.25 -0.12 0.00 0.82 0.00 0.00 66.70 67.12 1sjq h VAL 33 Cb 0.26 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1sjq h VAL 33 CO 0.06 0.13 -0.30 0.40 0.02 0.00 0.00 177.57 177.88 1sjq h ILE 34 N 0.72 1.31 -1.00 4.57 5.03 -0.71 -3.00 117.51 124.43 1sjq h ILE 34 Ca 0.37 -1.48 0.35 0.00 -0.12 0.00 0.00 64.86 63.98 1sjq h ILE 34 Cb 0.34 1.65 -0.18 0.00 -3.03 0.00 0.00 36.82 35.60 1sjq h ILE 34 CO -0.25 0.47 0.32 -1.28 -0.68 0.00 0.00 178.15 176.73 1sjq h SER 35 N 0.40 -0.02 -0.01 1.72 0.87 0.18 2.25 113.55 118.94 1sjq h SER 35 Ca 0.04 0.27 -0.20 0.00 -1.23 0.00 0.00 61.79 60.66 1sjq h SER 35 Cb 0.88 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1sjq h SER 35 CO 0.07 -0.39 -0.72 -0.07 -0.53 0.00 0.00 176.83 175.19 1sjq h LEU 36 N 0.01 0.76 -0.09 2.23 3.38 -1.45 -2.97 115.31 117.19 1sjq h LEU 36 Ca 0.74 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1sjq h LEU 36 Cb 1.79 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.32 1sjq h LEU 36 CO -0.83 1.25 0.00 0.61 0.09 0.00 0.00 178.44 179.56 1sjq n GLY 37 N 0.58 -1.41 0.46 0.83 0.00 0.65 -3.82 105.19 102.49 1sjq n GLY 37 Ca -0.06 -0.05 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 1sjq n GLY 37 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sjq h LEU 38 N 0.00 -1.22 -2.00 0.99 -0.00 0.18 -1.74 115.31 111.52 1sjq h LEU 38 Ca 0.00 0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 57.96 1sjq h LEU 38 Cb 0.48 0.39 -0.00 0.00 -0.00 0.00 0.00 40.66 41.53 1sjq h LEU 38 CO 0.00 -0.63 -0.03 1.55 -0.00 0.00 0.00 178.44 179.32 1sjq h PRO 39 N -0.98 0.00 0.00 1.13 0.13 -1.73 -2.18 132.00 128.37 1sjq h PRO 39 Ca -0.07 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.97 1sjq h PRO 39 Cb 0.82 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 1sjq h PRO 39 CO -0.01 0.03 -0.44 0.74 -0.23 0.00 0.00 178.00 178.10 1sjq h PHE 40 N 0.00 0.00 0.00 1.56 0.04 -1.51 -3.49 116.94 113.54 1sjq h PHE 40 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1sjq h PHE 40 Cb 0.33 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.48 1sjq h PHE 40 CO 0.00 0.44 0.00 0.41 -0.60 0.00 0.00 178.31 178.56 1sjq n GLY 41 N -0.08 -1.07 3.26 -1.45 0.00 -0.71 -2.95 105.19 102.19 1sjq n GLY 41 Ca -0.01 0.39 -0.12 0.00 0.00 0.00 0.00 46.02 46.28 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 0.41 -0.29 1.61 1.02 -1.25 -4.77 119.74 116.47 1sjq s LYS 42 Ca 0.00 0.62 -0.23 0.00 0.02 0.00 0.00 55.97 56.38 1sjq s LYS 42 Cb 0.00 0.11 -0.00 0.00 -0.52 0.00 0.00 37.83 37.42 1sjq s LYS 42 CO 0.00 -0.10 0.78 0.08 -0.92 0.00 0.00 175.35 175.19 1sjq s VAL 43 N 0.69 4.82 -1.20 3.17 1.01 -1.26 -2.57 120.40 125.06 1sjq s VAL 43 Ca -0.04 1.26 0.26 0.00 0.00 0.00 0.00 61.98 63.46 1sjq s VAL 43 Cb -0.05 -4.11 0.11 0.00 0.00 0.00 0.00 36.38 32.33 1sjq s VAL 43 CO -0.05 -0.18 1.52 0.35 0.00 0.00 0.00 175.10 176.75 1sjq n THR 44 N 5.43 0.00 0.00 3.92 -2.24 0.74 -4.94 114.28 117.19 1sjq n THR 44 Ca 0.04 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1sjq n THR 44 Cb 0.48 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1sjq n THR 44 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1sjq n ASN 45 N -1.29 0.00 -3.64 3.42 2.85 -1.20 -4.88 115.26 110.53 1sjq n ASN 45 Ca 0.08 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.31 1sjq n ASN 45 Cb 0.33 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.18 1sjq n ASN 45 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1sjq s LEU 46 N 0.00 0.28 -0.16 1.20 1.98 -1.26 -2.44 118.68 118.28 1sjq s LEU 46 Ca 0.00 -0.35 0.01 0.00 -2.89 0.00 0.00 54.13 50.90 1sjq s LEU 46 Cb 0.00 -0.21 0.02 0.00 0.66 0.00 0.00 46.19 46.66 1sjq s LEU 46 CO 0.00 -0.31 -0.17 -0.22 -1.89 0.00 0.00 176.35 173.76 1sjq s LEU 47 N 2.14 1.86 0.01 -0.68 1.98 0.11 -4.98 118.68 119.12 1sjq s LEU 47 Ca 0.03 -0.55 0.02 0.00 -2.89 0.00 0.00 54.13 50.75 1sjq s LEU 47 Cb -0.14 -1.29 -0.04 0.00 0.66 0.00 0.00 46.19 45.38 1sjq s LEU 47 CO -0.07 -0.03 -0.01 -0.04 -1.89 0.00 0.00 176.35 174.32 1sjq s MET 48 N 1.37 2.73 -0.35 1.98 -1.94 -1.26 0.20 119.30 122.02 1sjq s MET 48 Ca 0.04 -0.65 0.01 0.00 -1.71 0.00 0.00 55.69 53.38 1sjq s MET 48 Cb -0.13 -2.63 0.09 0.00 2.01 0.00 0.00 34.83 34.17 1sjq s MET 48 CO -0.11 0.61 0.07 -0.51 -0.01 0.00 0.00 175.02 175.08 1sjq s LEU 49 N -1.60 4.63 0.22 -0.03 1.43 0.22 -4.97 118.68 118.58 1sjq s LEU 49 Ca 0.20 -1.90 -0.30 0.00 -1.03 0.00 0.00 54.13 51.10 1sjq s LEU 49 Cb -0.11 -1.69 -0.09 0.00 0.03 0.00 0.00 46.19 44.33 1sjq s LEU 49 CO 0.10 -0.39 1.18 -0.54 0.23 0.00 0.00 176.35 176.93 1sjq s LYS 50 N 1.05 4.52 0.00 1.70 -0.14 -1.26 -2.85 119.74 122.76 1sjq s LYS 50 Ca 0.05 1.88 0.00 0.00 -1.36 0.00 0.00 55.97 56.55 1sjq s LYS 50 Cb -0.20 -3.21 0.00 0.00 -1.68 0.00 0.00 37.83 32.73 1sjq s LYS 50 CO -0.05 -0.02 0.00 0.41 -0.76 0.00 0.00 175.35 174.93 1sjq n GLY 51 N 1.83 2.26 0.23 -3.33 0.00 -1.26 -4.78 105.19 100.13 1sjq n GLY 51 Ca 0.03 -0.63 0.05 0.00 0.00 0.00 0.00 46.02 45.46 1sjq n GLY 51 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1sjq n LYS 52 N 0.00 1.29 -2.89 1.61 0.00 -1.26 -4.95 118.16 111.96 1sjq n LYS 52 Ca 0.00 -0.45 -0.07 0.00 -0.00 0.00 0.00 58.31 57.79 1sjq n LYS 52 Cb 0.00 -1.17 0.01 0.00 -0.00 0.00 0.00 35.03 33.87 1sjq n LYS 52 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1sjq n ASN 53 N -0.20 -7.69 -3.65 -5.58 5.03 -1.24 -4.93 115.26 97.00 1sjq n ASN 53 Ca 0.08 0.80 -0.04 0.00 0.87 0.00 0.00 54.58 56.29 1sjq n ASN 53 Cb 0.13 -4.80 -0.05 0.00 -1.02 0.00 0.00 39.78 34.03 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 -2.14 0.60 0.42 3.52 -0.21 -1.13 -4.22 119.66 116.50 1sjq s GLN 54 Ca 0.16 1.34 0.07 0.00 0.02 0.00 0.00 55.36 56.95 1sjq s GLN 54 Cb -0.04 0.59 -0.03 0.00 1.00 0.00 0.00 33.01 34.53 1sjq s GLN 54 CO 0.74 -0.19 0.30 0.00 -2.12 0.00 0.00 175.29 174.02 1sjq s ALA 55 N 2.44 3.88 -0.08 6.09 0.00 -0.86 0.71 121.76 133.93 1sjq s ALA 55 Ca -0.07 -1.97 -0.11 0.00 0.00 0.00 0.00 51.96 49.81 1sjq s ALA 55 Cb -0.10 -0.76 0.03 0.00 0.00 0.00 0.00 23.12 22.29 1sjq s ALA 55 CO -0.19 -0.21 0.29 -0.06 0.00 0.00 0.00 175.76 175.59 1sjq s PHE 56 N -2.53 -0.26 -0.09 0.00 0.40 0.52 -1.20 117.98 114.83 1sjq s PHE 56 Ca 0.45 0.59 -0.04 0.00 -0.60 0.00 0.00 56.93 57.33 1sjq s PHE 56 Cb -0.00 0.09 0.05 0.00 0.51 0.00 0.00 43.02 43.67 1sjq s PHE 56 CO 0.26 -0.22 0.18 0.96 0.70 0.00 0.00 175.22 177.09 1sjq s ILE 57 N -0.33 -0.17 -0.17 0.64 -4.36 -0.58 0.05 121.20 116.28 1sjq s ILE 57 Ca -0.04 0.25 -0.16 0.00 -0.26 0.00 0.00 60.65 60.43 1sjq s ILE 57 Cb -0.03 -0.31 -0.04 0.00 1.25 0.00 0.00 42.46 43.33 1sjq s ILE 57 CO 0.01 0.10 0.41 -1.61 0.24 0.00 0.00 174.94 174.10 1sjq s GLU 58 N 1.74 4.23 -0.00 0.37 2.02 -1.02 -2.03 118.70 124.01 1sjq s GLU 58 Ca -0.04 0.27 -0.03 0.00 0.02 0.00 0.00 54.97 55.20 1sjq s GLU 58 Cb -0.12 -3.50 -0.04 0.00 0.10 0.00 0.00 34.13 30.58 1sjq s GLU 58 CO -0.07 0.04 0.19 -1.64 0.02 0.00 0.00 175.26 173.80 1sjq s MET 59 N 1.04 3.44 0.00 1.61 -1.94 -0.89 0.26 119.30 122.82 1sjq s MET 59 Ca 0.21 -0.33 0.26 0.00 -1.71 0.00 0.00 55.69 54.12 1sjq s MET 59 Cb -0.15 -3.09 0.64 0.00 2.01 0.00 0.00 34.83 34.24 1sjq s MET 59 CO 0.08 0.67 1.50 0.09 -0.01 0.00 0.00 175.02 177.35 1sjq n ASN 60 N 0.89 0.51 -4.51 3.03 3.02 -1.06 -4.82 115.26 112.32 1sjq n ASN 60 Ca -0.10 -0.26 -0.24 0.00 -0.03 0.00 0.00 54.58 53.95 1sjq n ASN 60 Cb 0.52 0.15 -0.09 0.00 -0.61 0.00 0.00 39.78 39.75 1sjq n ASN 60 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1sjq s THR 61 N -2.92 2.65 0.04 3.41 -4.23 -1.26 -5.05 115.64 108.28 1sjq s THR 61 Ca 0.14 -2.29 -0.10 0.00 -1.18 0.00 0.00 61.69 58.26 1sjq s THR 61 Cb 0.18 -2.44 -0.32 0.00 1.34 0.00 0.00 72.50 71.25 1sjq s THR 61 CO 0.65 -0.37 1.01 -0.33 -0.54 0.00 0.00 174.62 175.04 1sjq h GLU 62 N 2.16 0.41 0.00 3.99 3.07 -1.90 -3.01 114.58 119.30 1sjq h GLU 62 Ca -0.41 -0.70 -0.04 0.00 -0.50 0.00 0.00 59.36 57.71 1sjq h GLU 62 Cb 1.26 0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 29.42 1sjq h GLU 62 CO 0.61 1.33 -0.17 1.49 -1.40 0.00 0.00 179.01 180.87 1sjq h GLU 63 N 0.11 0.00 -0.07 2.33 4.57 -1.95 -2.64 114.58 116.94 1sjq h GLU 63 Ca -0.22 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 57.80 1sjq h GLU 63 Cb 2.09 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.68 1sjq h GLU 63 CO 0.23 0.17 -0.59 0.00 -1.18 0.00 0.00 179.01 177.65 1sjq h ALA 64 N 1.83 0.16 0.29 2.92 0.00 -1.55 -2.40 119.26 120.52 1sjq h ALA 64 Ca -0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1sjq h ALA 64 Cb 0.68 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1sjq h ALA 64 CO 0.02 0.41 -0.14 0.00 0.00 0.00 0.00 179.25 179.54 1sjq h ALA 65 N 0.43 -0.83 0.16 0.00 0.00 -1.38 -2.54 119.26 115.09 1sjq h ALA 65 Ca -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1sjq h ALA 65 Cb 1.25 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 1sjq h ALA 65 CO 0.12 -0.80 -0.36 -0.91 0.00 0.00 0.00 179.25 177.29 1sjq h ASN 66 N -0.50 -1.06 -0.97 0.00 2.35 -1.64 -2.41 115.58 111.35 1sjq h ASN 66 Ca -0.04 0.10 0.24 0.00 -0.55 0.00 0.00 56.30 56.06 1sjq h ASN 66 Cb 0.30 0.38 -0.18 0.00 0.05 0.00 0.00 38.32 38.87 1sjq h ASN 66 CO 0.07 -0.41 -0.06 0.74 -1.65 0.00 0.00 177.43 176.12 1sjq h THR 67 N -0.57 0.04 -0.17 2.81 2.02 -1.57 0.49 112.91 115.96 1sjq h THR 67 Ca -0.02 -0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.18 1sjq h THR 67 Cb 0.54 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 1sjq h THR 67 CO -0.15 0.00 -0.26 -0.03 0.37 0.00 0.00 175.52 175.44 1sjq h MET 68 N 0.01 -0.20 0.28 6.66 1.85 -0.98 0.64 114.93 123.20 1sjq h MET 68 Ca 0.55 0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.64 1sjq h MET 68 Cb 1.04 0.05 0.00 0.00 0.43 0.00 0.00 31.60 33.11 1sjq h MET 68 CO -0.94 -0.13 -0.14 0.28 -0.40 0.00 0.00 176.91 175.59 1sjq h VAL 69 N -0.21 0.69 -0.27 -5.77 2.07 -1.11 -3.08 116.25 108.58 1sjq h VAL 69 Ca 0.03 -0.72 0.03 0.00 0.82 0.00 0.00 66.70 66.86 1sjq h VAL 69 Cb 0.29 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 1sjq h VAL 69 CO -0.27 0.13 -0.44 -1.13 0.02 0.00 0.00 177.57 175.89 1sjq h ASN 70 N -0.81 -1.44 -0.85 0.57 -0.00 -0.01 0.58 115.58 113.62 1sjq h ASN 70 Ca -0.04 0.18 0.19 0.00 -0.00 0.00 0.00 56.30 56.63 1sjq h ASN 70 Cb 0.51 0.58 -0.16 0.00 -0.00 0.00 0.00 38.32 39.25 1sjq h ASN 70 CO 0.06 -0.33 -0.12 0.22 -0.00 0.00 0.00 177.43 177.27 1sjq h TYR 71 N -0.35 -0.28 -0.01 0.67 3.20 0.19 2.03 116.97 122.42 1sjq h TYR 71 Ca 0.05 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1sjq h TYR 71 Cb 0.48 0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.01 1sjq h TYR 71 CO -0.66 -0.35 0.00 0.66 -1.64 0.00 0.00 178.16 176.17 1sjq n TYR 72 N -5.49 0.02 -0.29 -3.82 4.01 -0.49 -4.02 117.16 107.08 1sjq n TYR 72 Ca 0.15 -0.01 0.29 0.00 -0.16 0.00 0.00 57.90 58.17 1sjq n TYR 72 Cb 0.50 0.00 0.66 0.00 -0.31 0.00 0.00 39.34 40.18 1sjq n TYR 72 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1sjq h THR 73 N 0.12 0.48 0.00 -0.72 2.02 0.55 -3.27 112.91 112.09 1sjq h THR 73 Ca 0.00 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 1sjq h THR 73 Cb 0.03 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 1sjq h THR 73 CO 0.00 0.03 -0.68 -1.20 0.37 0.00 0.00 175.52 174.04 1sjq n SER 74 N -4.36 0.97 -4.73 4.18 7.64 -1.26 -5.02 113.62 111.04 1sjq n SER 74 Ca 0.24 0.14 -0.41 0.00 1.01 0.00 0.00 58.87 59.86 1sjq n SER 74 Cb 1.05 -0.34 -0.05 0.00 -1.01 0.00 0.00 64.21 63.87 1sjq n SER 74 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1sjq s VAL 75 N -2.17 4.55 0.24 0.44 0.11 -1.23 -5.05 120.40 117.28 1sjq s VAL 75 Ca -0.08 1.97 -0.07 0.00 -2.93 0.00 0.00 61.98 60.88 1sjq s VAL 75 Cb 0.02 -4.28 -0.06 0.00 -1.53 0.00 0.00 36.38 30.53 1sjq s VAL 75 CO 0.11 0.33 0.53 -0.89 -3.33 0.00 0.00 175.10 171.84 1sjq s THR 76 N -0.02 5.01 -0.80 5.04 2.01 -1.26 -4.23 115.64 121.40 1sjq s THR 76 Ca 0.45 0.21 -0.19 0.00 0.31 0.00 0.00 61.69 62.47 1sjq s THR 76 Cb -0.23 -3.67 0.12 0.00 0.01 0.00 0.00 72.50 68.73 1sjq s THR 76 CO 0.28 -0.17 0.97 -2.16 -0.69 0.00 0.00 174.62 172.85 1sjq s PRO 77 N -3.14 3.39 0.40 4.92 0.05 -1.26 -5.02 135.00 134.34 1sjq s PRO 77 Ca 0.45 -1.56 -0.11 0.00 0.05 0.00 0.00 61.00 59.83 1sjq s PRO 77 Cb -0.11 -4.59 -0.06 0.00 0.05 0.00 0.00 34.50 29.78 1sjq s PRO 77 CO 0.26 -1.68 0.76 0.08 0.05 0.00 0.00 177.00 176.47 1sjq s VAL 78 N 2.69 4.79 -0.28 -0.36 1.01 -1.26 -2.13 120.40 124.86 1sjq s VAL 78 Ca 0.25 0.62 -0.02 0.00 0.00 0.00 0.00 61.98 62.83 1sjq s VAL 78 Cb -0.12 -3.73 0.12 0.00 0.00 0.00 0.00 36.38 32.66 1sjq s VAL 78 CO -0.02 -0.50 0.23 -0.76 0.00 0.00 0.00 175.10 174.04 1sjq s LEU 79 N -3.80 0.06 -1.02 3.92 1.02 -0.46 -4.85 118.68 113.56 1sjq s LEU 79 Ca 0.51 -0.91 0.00 0.00 0.02 0.00 0.00 54.13 53.76 1sjq s LEU 79 Cb -0.10 0.17 0.00 0.00 0.02 0.00 0.00 46.19 46.28 1sjq s LEU 79 CO 0.31 -0.40 0.00 0.54 0.02 0.00 0.00 176.35 176.81 1sjq n ARG 80 N 5.29 -1.75 0.00 1.70 1.74 -1.26 -0.75 116.66 121.62 1sjq n ARG 80 Ca -0.04 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 57.88 1sjq n ARG 80 Cb 0.45 -5.28 0.00 0.00 -1.02 0.00 0.00 32.46 26.61 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 0.36 0.97 3.27 -0.13 0.00 -1.26 -5.07 105.19 103.33 1sjq n GLY 81 Ca -0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.48 1sjq n GLY 81 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sjq s GLN 82 N -0.23 2.92 -0.82 1.61 1.11 0.07 -5.03 119.66 119.29 1sjq s GLN 82 Ca 0.00 -1.91 -0.26 0.00 0.01 0.00 0.00 55.36 53.21 1sjq s GLN 82 Cb 0.00 -4.18 0.03 0.00 -1.01 0.00 0.00 33.01 27.85 1sjq s GLN 82 CO 0.00 -1.27 1.38 -1.25 0.01 0.00 0.00 175.29 174.16 1sjq s PRO 83 N 1.18 3.26 -0.43 2.91 0.04 -1.26 -1.35 135.00 139.34 1sjq s PRO 83 Ca 0.07 -0.45 -0.14 0.00 0.04 0.00 0.00 61.00 60.52 1sjq s PRO 83 Cb -0.25 -4.56 0.05 0.00 0.04 0.00 0.00 34.50 29.77 1sjq s PRO 83 CO -0.01 -2.24 0.33 0.96 0.04 0.00 0.00 177.00 176.09 1sjq s ILE 84 N 5.84 5.13 0.55 0.56 -4.36 -0.91 -4.74 121.20 123.27 1sjq s ILE 84 Ca 0.41 -0.89 -0.20 0.00 -0.26 0.00 0.00 60.65 59.71 1sjq s ILE 84 Cb -0.06 -3.96 -0.05 0.00 1.25 0.00 0.00 42.46 39.65 1sjq s ILE 84 CO 0.08 -0.43 1.21 -0.31 0.24 0.00 0.00 174.94 175.73 1sjq s TYR 85 N 1.64 2.52 -0.21 1.37 1.51 -0.55 -4.24 117.35 119.38 1sjq s TYR 85 Ca 0.04 1.51 0.00 0.00 -1.01 0.00 0.00 57.07 57.61 1sjq s TYR 85 Cb -0.21 -3.47 0.05 0.00 -0.11 0.00 0.00 41.96 38.22 1sjq s TYR 85 CO 0.08 -2.06 -0.06 0.42 -1.11 0.00 0.00 175.55 172.82 1sjq s ILE 86 N -1.57 1.45 0.36 2.71 1.01 -1.26 0.78 121.20 124.68 1sjq s ILE 86 Ca 0.73 -1.05 0.04 0.00 0.00 0.00 0.00 60.65 60.37 1sjq s ILE 86 Cb -0.30 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.46 1sjq s ILE 86 CO 0.34 -0.01 0.08 -1.10 0.00 0.00 0.00 174.94 174.25 1sjq s GLN 87 N 1.45 1.77 0.56 2.79 1.11 0.18 -4.45 119.66 123.07 1sjq s GLN 87 Ca -0.04 -2.03 -0.18 0.00 0.01 0.00 0.00 55.36 53.13 1sjq s GLN 87 Cb -0.18 -0.82 -0.05 0.00 -1.01 0.00 0.00 33.01 30.95 1sjq s GLN 87 CO -0.07 -0.29 1.07 -0.06 0.01 0.00 0.00 175.29 175.95 1sjq s PHE 88 N -3.25 2.87 0.19 0.91 0.08 -1.26 0.25 117.98 117.77 1sjq s PHE 88 Ca 0.31 1.54 -0.03 0.00 0.12 0.00 0.00 56.93 58.87 1sjq s PHE 88 Cb 0.06 -3.11 0.01 0.00 -0.57 0.00 0.00 43.02 39.41 1sjq s PHE 88 CO 0.14 -1.21 0.30 0.43 -0.10 0.00 0.00 175.22 174.78 1sjq n SER 89 N -1.59 -0.85 0.00 1.36 7.64 -1.23 -4.50 113.62 114.46 1sjq n SER 89 Ca 0.10 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 58.05 1sjq n SER 89 Cb 0.52 1.51 0.00 0.00 -1.01 0.00 0.00 64.21 65.23 1sjq n SER 89 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1sjq n ASN 90 N -1.69 0.00 0.00 6.43 4.05 -1.26 -4.65 115.26 118.15 1sjq n ASN 90 Ca -0.01 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.02 1sjq n ASN 90 Cb 0.30 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.31 1sjq n ASN 90 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 177.26 175.78 1sjq n HIS 91 N 0.00 0.00 -0.20 1.20 -0.00 -1.26 -4.99 115.22 109.98 1sjq n HIS 91 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.67 1sjq n HIS 91 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.94 1sjq n HIS 91 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1sjq n LYS 92 N 0.00 -0.20 -4.10 1.57 4.76 -1.26 -4.34 118.16 114.58 1sjq n LYS 92 Ca 0.00 1.02 -0.11 0.00 -2.87 0.00 0.00 58.31 56.35 1sjq n LYS 92 Cb 0.00 -1.51 -0.11 0.00 -1.84 0.00 0.00 35.03 31.57 1sjq n LYS 92 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1sjq s GLU 93 N -4.42 0.64 -0.61 1.97 8.01 -1.26 -0.38 118.70 122.65 1sjq s GLU 93 Ca -0.06 -1.01 -0.19 0.00 0.01 0.00 0.00 54.97 53.72 1sjq s GLU 93 Cb 0.05 -0.18 0.10 0.00 -4.31 0.00 0.00 34.13 29.79 1sjq s GLU 93 CO 0.29 0.00 0.74 -1.17 0.01 0.00 0.00 175.26 175.13 1sjq s LEU 94 N -2.25 5.26 0.01 1.80 2.96 -1.26 -4.96 118.68 120.24 1sjq s LEU 94 Ca -0.01 -1.39 0.00 0.00 -0.22 0.00 0.00 54.13 52.52 1sjq s LEU 94 Cb -0.03 -2.32 -0.01 0.00 0.50 0.00 0.00 46.19 44.34 1sjq s LEU 94 CO -0.03 -1.16 -0.02 -0.75 -1.32 0.00 0.00 176.35 173.08 1sjq s LYS 95 N 2.86 0.17 -0.36 1.98 2.20 -1.26 -5.06 119.74 120.26 1sjq s LYS 95 Ca 0.13 -0.19 0.02 0.00 -0.36 0.00 0.00 55.97 55.57 1sjq s LYS 95 Cb -0.23 -0.08 0.11 0.00 -1.51 0.00 0.00 37.83 36.12 1sjq s LYS 95 CO 0.06 0.02 0.12 0.99 -0.36 0.00 0.00 175.35 176.18 1sjq s THR 96 N -0.37 1.54 0.00 3.43 2.01 -1.26 -5.07 115.64 115.92 1sjq s THR 96 Ca -0.03 -2.06 0.00 0.00 0.31 0.00 0.00 61.69 59.91 1sjq s THR 96 Cb -0.03 -2.13 0.00 0.00 0.01 0.00 0.00 72.50 70.36 1sjq s THR 96 CO -0.00 -0.71 0.00 -0.90 -0.69 0.00 0.00 174.62 172.32 1sjq n ASP 97 N 4.28 0.00 -1.86 3.53 5.68 -1.26 -5.05 116.55 121.87 1sjq n ASP 97 Ca 0.02 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.29 1sjq n ASP 97 Cb 0.40 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.40 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 0.00 -0.39 0.00 -1.12 7.64 -1.26 -5.29 113.62 113.20 1sjq n SER 98 Ca 0.00 -2.07 0.00 0.00 1.01 0.00 0.00 58.87 57.81 1sjq n SER 98 Cb 0.00 0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 1sjq n SER 98 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79