#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 0.16 3.12 0.23 0.00 -1.26 -5.11 105.19 102.34 1sjq n GLY 13 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 0.88 1.02 -0.77 1.61 -7.23 -1.26 -5.07 120.40 109.58 1sjq s VAL 14 Ca 0.00 -0.95 -0.24 0.00 -1.81 0.00 0.00 61.98 58.98 1sjq s VAL 14 Cb 0.00 -0.93 -0.17 0.00 0.56 0.00 0.00 36.38 35.84 1sjq s VAL 14 CO 0.00 -0.01 2.43 -2.65 -0.31 0.00 0.00 175.10 174.56 1sjq n PRO 15 N 1.95 0.50 -3.83 4.82 -0.02 -1.26 -4.80 135.00 132.35 1sjq n PRO 15 Ca -0.18 -0.24 -0.13 0.00 -2.02 0.00 0.00 63.50 60.93 1sjq n PRO 15 Cb 0.55 -2.67 -0.14 0.00 -0.02 0.00 0.00 33.50 31.22 1sjq n PRO 15 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1sjq s SER 16 N 9.01 -0.04 0.00 2.55 0.01 -1.26 -5.02 113.70 118.95 1sjq s SER 16 Ca 1.11 0.11 0.00 0.00 1.31 0.00 0.00 55.95 58.48 1sjq s SER 16 Cb -0.52 0.08 0.00 0.00 0.21 0.00 0.00 66.02 65.80 1sjq s SER 16 CO 0.32 -0.05 0.00 -1.14 0.41 0.00 0.00 173.24 172.78 1sjq n ARG 17 N 3.33 0.00 -2.86 12.44 0.63 -1.26 -4.07 116.66 124.87 1sjq n ARG 17 Ca -0.16 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.34 1sjq n ARG 17 Cb 0.57 -0.01 -0.04 0.00 0.45 0.00 0.00 32.46 33.44 1sjq n ARG 17 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1sjq s VAL 18 N -1.98 4.33 -0.58 5.15 1.01 -1.26 -2.27 120.40 124.81 1sjq s VAL 18 Ca 0.00 -0.32 -0.27 0.00 0.00 0.00 0.00 61.98 61.38 1sjq s VAL 18 Cb 0.00 -4.67 0.03 0.00 0.00 0.00 0.00 36.38 31.74 1sjq s VAL 18 CO 0.00 -1.43 1.15 -0.63 0.00 0.00 0.00 175.10 174.19 1sjq s ILE 19 N 4.05 4.07 -0.52 2.22 -1.09 -0.48 -0.52 121.20 128.93 1sjq s ILE 19 Ca 0.23 0.76 -0.25 0.00 -2.23 0.00 0.00 60.65 59.15 1sjq s ILE 19 Cb -0.17 -4.70 0.03 0.00 -1.58 0.00 0.00 42.46 36.04 1sjq s ILE 19 CO 0.11 -1.33 0.98 -2.28 -1.23 0.00 0.00 174.94 171.19 1sjq s HIS 20 N 4.81 2.81 -0.25 3.97 2.46 0.71 -2.38 115.29 127.42 1sjq s HIS 20 Ca 0.40 0.23 -0.26 0.00 0.47 0.00 0.00 55.06 55.89 1sjq s HIS 20 Cb -0.08 -4.12 0.00 0.00 -0.13 0.00 0.00 32.58 28.25 1sjq s HIS 20 CO 0.24 -1.29 0.93 0.42 -2.47 0.00 0.00 174.74 172.56 1sjq s ILE 21 N 4.05 4.74 0.48 0.89 -1.09 0.11 -0.78 121.20 129.60 1sjq s ILE 21 Ca 0.35 1.71 0.08 0.00 -2.23 0.00 0.00 60.65 60.57 1sjq s ILE 21 Cb -0.11 -4.22 0.03 0.00 -1.58 0.00 0.00 42.46 36.59 1sjq s ILE 21 CO 0.23 -0.17 0.59 -0.60 -1.23 0.00 0.00 174.94 173.77 1sjq s ARG 22 N 3.06 2.57 -1.74 2.79 3.52 0.84 -2.39 118.95 127.60 1sjq s ARG 22 Ca 0.39 -1.48 -0.17 0.00 -0.13 0.00 0.00 55.73 54.33 1sjq s ARG 22 Cb -0.15 -2.61 0.16 0.00 -1.56 0.00 0.00 34.95 30.80 1sjq s ARG 22 CO 0.08 -0.47 0.59 1.17 -0.81 0.00 0.00 175.30 175.86 1sjq n LYS 23 N -1.92 -1.88 -4.66 5.12 0.00 -1.26 -1.10 118.16 112.46 1sjq n LYS 23 Ca 0.09 0.24 -0.25 0.00 0.00 0.00 0.00 58.31 58.39 1sjq n LYS 23 Cb 0.61 -4.72 -0.17 0.00 0.00 0.00 0.00 35.03 30.75 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 -7.25 1.71 -1.23 3.14 2.96 -1.20 -3.83 118.68 112.97 1sjq s LEU 24 Ca 0.64 -0.32 -0.18 0.00 -0.22 0.00 0.00 54.13 54.04 1sjq s LEU 24 Cb -0.36 -0.89 -0.01 0.00 0.50 0.00 0.00 46.19 45.43 1sjq s LEU 24 CO 0.98 0.05 1.97 -0.81 -1.32 0.00 0.00 176.35 177.22 1sjq n PRO 25 N 3.73 2.49 -0.80 0.98 -0.04 -1.26 -3.94 135.00 136.16 1sjq n PRO 25 Ca -0.22 -2.64 -0.38 0.00 -0.04 0.00 0.00 63.50 60.21 1sjq n PRO 25 Cb 0.52 -3.36 -0.08 0.00 -0.04 0.00 0.00 33.50 30.55 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 6.12 0.00 0.00 0.52 2.08 -1.26 -2.68 119.36 124.14 1sjq n ILE 26 Ca 0.49 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.80 1sjq n ILE 26 Cb 0.43 -0.32 0.00 0.00 -0.75 0.00 0.00 39.64 39.00 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 4.81 0.00 -3.02 4.38 2.03 -1.26 -4.76 116.55 118.73 1sjq n ASP 27 Ca 0.35 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.66 1sjq n ASP 27 Cb -0.03 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 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 0.00 0.00 -4.15 5.18 3.14 -1.09 -4.97 118.33 116.43 1sjq n VAL 28 Ca 0.00 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.06 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 -0.46 4.50 0.13 1.55 -4.23 -1.26 -5.02 115.64 110.84 1sjq s THR 29 Ca 0.00 -0.53 -0.17 0.00 -1.18 0.00 0.00 61.69 59.80 1sjq s THR 29 Cb 0.00 -3.06 -0.02 0.00 1.34 0.00 0.00 72.50 70.76 1sjq s THR 29 CO 0.00 0.32 1.71 -0.33 -0.54 0.00 0.00 174.62 175.79 1sjq h GLU 30 N 4.05 0.49 -1.30 3.99 3.07 -1.99 -2.65 114.58 120.25 1sjq h GLU 30 Ca -0.49 -0.07 0.46 0.00 -0.50 0.00 0.00 59.36 58.77 1sjq h GLU 30 Cb 1.18 -0.09 -0.15 0.00 -0.84 0.00 0.00 28.75 28.85 1sjq h GLU 30 CO 0.61 0.43 0.82 0.41 -1.40 0.00 0.00 179.01 179.87 1sjq n GLY 31 N -0.91 -0.82 0.08 -3.84 0.00 -1.26 0.11 105.19 98.55 1sjq n GLY 31 Ca -0.01 0.76 -0.13 0.00 0.00 0.00 0.00 46.02 46.65 1sjq n GLY 31 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sjq h GLU 32 N 0.00 -0.04 0.67 1.61 5.08 -1.90 -1.72 114.58 118.28 1sjq h GLU 32 Ca 0.87 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 59.20 1sjq h GLU 32 Cb 2.71 0.01 0.01 0.00 0.50 0.00 0.00 28.75 31.97 1sjq h GLU 32 CO -0.52 0.64 -0.32 0.28 -1.00 0.00 0.00 179.01 178.09 1sjq h VAL 33 N -0.80 0.00 -0.63 3.13 2.07 0.13 -2.96 116.25 117.19 1sjq h VAL 33 Ca -0.00 -0.17 0.13 0.00 0.82 0.00 0.00 66.70 67.47 1sjq h VAL 33 Cb 0.70 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.37 1sjq h VAL 33 CO 0.01 0.00 0.12 0.40 0.02 0.00 0.00 177.57 178.11 1sjq h ILE 34 N -1.07 0.59 -0.86 4.57 2.04 0.63 -0.38 117.51 123.03 1sjq h ILE 34 Ca -0.09 -0.08 0.22 0.00 1.00 0.00 0.00 64.86 65.91 1sjq h ILE 34 Cb 0.69 0.33 -0.14 0.00 -0.74 0.00 0.00 36.82 36.96 1sjq h ILE 34 CO 0.15 0.04 0.19 -1.28 0.00 0.00 0.00 178.15 177.25 1sjq h SER 35 N 0.24 -0.07 0.86 1.72 0.87 -1.30 1.90 113.55 117.77 1sjq h SER 35 Ca 0.34 0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 61.08 1sjq h SER 35 Cb 0.53 0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1sjq h SER 35 CO -0.45 -0.16 -0.06 -0.07 -0.53 0.00 0.00 176.83 175.56 1sjq h LEU 36 N 0.19 0.00 0.00 2.23 3.38 -0.90 -2.80 115.31 117.41 1sjq h LEU 36 Ca 0.53 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.27 1sjq h LEU 36 Cb 1.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 1sjq h LEU 36 CO -0.66 0.06 -1.37 1.23 0.09 0.00 0.00 178.44 177.79 1sjq h GLY 37 N 1.77 0.00 -0.91 0.83 0.00 0.31 -3.37 103.07 101.70 1sjq h GLY 37 Ca -0.00 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.49 1sjq h GLY 37 CO 0.01 0.00 -0.35 1.41 0.00 0.00 0.00 176.54 177.61 1sjq h LEU 38 N 0.00 -1.28 -1.09 3.11 4.07 -0.07 0.71 115.31 120.76 1sjq h LEU 38 Ca -0.17 0.30 -0.07 0.00 0.08 0.00 0.00 57.88 58.01 1sjq h LEU 38 Cb 1.79 0.70 -0.02 0.00 1.08 0.00 0.00 40.66 44.21 1sjq h LEU 38 CO 0.08 -0.30 -0.14 -0.65 -1.08 0.00 0.00 178.44 176.35 1sjq h PRO 39 N -0.02 0.48 -0.60 1.13 0.11 -1.74 -2.86 132.00 128.51 1sjq h PRO 39 Ca 0.36 -0.14 -0.09 0.00 0.11 0.00 0.00 66.00 66.24 1sjq h PRO 39 Cb 0.62 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 1sjq h PRO 39 CO -0.96 0.61 0.02 0.74 -0.21 0.00 0.00 178.00 178.21 1sjq h PHE 40 N 0.44 1.11 0.00 0.65 0.04 0.08 -3.49 116.94 115.77 1sjq h PHE 40 Ca 0.08 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.67 1sjq h PHE 40 Cb 0.51 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.36 1sjq h PHE 40 CO 0.02 0.97 0.00 0.41 -0.60 0.00 0.00 178.31 179.11 1sjq n GLY 41 N -0.49 -1.41 3.27 -1.45 0.00 0.78 -3.66 105.19 102.22 1sjq n GLY 41 Ca 0.03 0.56 -0.13 0.00 0.00 0.00 0.00 46.02 46.48 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 0.48 -1.04 1.61 3.01 -1.26 -4.61 119.74 117.93 1sjq s LYS 42 Ca 0.00 0.41 -0.17 0.00 -1.01 0.00 0.00 55.97 55.20 1sjq s LYS 42 Cb 0.00 0.23 0.14 0.00 -1.01 0.00 0.00 37.83 37.19 1sjq s LYS 42 CO 0.00 -0.08 1.27 0.08 0.51 0.00 0.00 175.35 177.13 1sjq s VAL 43 N -0.05 4.76 -2.01 3.17 1.01 -1.26 -2.26 120.40 123.76 1sjq s VAL 43 Ca -0.02 -1.88 0.09 0.00 0.00 0.00 0.00 61.98 60.16 1sjq s VAL 43 Cb -0.03 -4.85 0.24 0.00 0.00 0.00 0.00 36.38 31.74 1sjq s VAL 43 CO 0.01 -1.59 1.32 0.35 0.00 0.00 0.00 175.10 175.19 1sjq n THR 44 N 5.32 0.02 0.00 3.92 -2.24 -1.02 -4.81 114.28 115.48 1sjq n THR 44 Ca 0.29 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 1sjq n THR 44 Cb 0.47 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 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 -0.56 0.00 -3.38 3.42 3.02 -1.17 -4.85 115.26 111.75 1sjq n ASN 45 Ca 0.07 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.46 1sjq n ASN 45 Cb 0.05 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.13 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 -0.28 0.08 3.41 1.98 -1.26 0.59 118.68 123.20 1sjq s LEU 46 Ca 0.00 -0.85 -0.03 0.00 -2.89 0.00 0.00 54.13 50.36 1sjq s LEU 46 Cb 0.00 0.59 -0.05 0.00 0.66 0.00 0.00 46.19 47.39 1sjq s LEU 46 CO 0.00 -0.36 0.28 -0.22 -1.89 0.00 0.00 176.35 174.16 1sjq s LEU 47 N 2.23 4.32 -0.23 -0.68 0.20 0.10 -4.95 118.68 119.67 1sjq s LEU 47 Ca 0.11 0.44 0.01 0.00 0.69 0.00 0.00 54.13 55.37 1sjq s LEU 47 Cb -0.14 -3.05 0.06 0.00 -0.43 0.00 0.00 46.19 42.63 1sjq s LEU 47 CO -0.28 0.14 -0.06 -0.04 -0.29 0.00 0.00 176.35 175.82 1sjq s MET 48 N -2.45 1.71 -0.76 1.98 -1.94 -1.26 -0.64 119.30 115.94 1sjq s MET 48 Ca 0.36 -0.99 -0.21 0.00 -1.71 0.00 0.00 55.69 53.14 1sjq s MET 48 Cb -0.13 -2.58 0.09 0.00 2.01 0.00 0.00 34.83 34.23 1sjq s MET 48 CO 0.25 -0.57 1.03 -1.17 -0.01 0.00 0.00 175.02 174.54 1sjq s LEU 49 N 1.38 4.59 0.00 -0.03 2.96 -0.52 -4.85 118.68 122.22 1sjq s LEU 49 Ca -0.05 -1.36 0.22 0.00 -0.22 0.00 0.00 54.13 52.72 1sjq s LEU 49 Cb -0.19 -2.41 1.33 0.00 0.50 0.00 0.00 46.19 45.42 1sjq s LEU 49 CO -0.06 -1.31 1.72 0.29 -1.32 0.00 0.00 176.35 175.66 1sjq n LYS 50 N 7.34 0.74 0.00 1.98 4.76 -1.26 -3.07 118.16 128.65 1sjq n LYS 50 Ca 0.06 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.54 1sjq n LYS 50 Cb 0.47 -1.47 0.15 0.00 -1.84 0.00 0.00 35.03 32.34 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 0.46 -0.68 2.09 0.72 0.00 -1.26 -4.53 105.19 101.98 1sjq n GLY 51 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.45 0.00 0.00 1.61 4.81 -1.22 -5.06 118.16 116.85 1sjq n LYS 52 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1sjq n LYS 52 Cb 0.07 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.12 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 -3.02 0.00 -4.01 3.14 5.03 -1.19 -4.81 115.26 110.39 1sjq n ASN 53 Ca 0.00 0.00 -0.22 0.00 0.87 0.00 0.00 54.58 55.23 1sjq n ASN 53 Cb 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 39.78 38.60 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 0.00 1.30 0.31 3.52 -0.21 -1.17 -3.23 119.66 120.17 1sjq s GLN 54 Ca 0.00 -0.36 0.08 0.00 0.02 0.00 0.00 55.36 55.10 1sjq s GLN 54 Cb 0.00 -1.15 -0.04 0.00 1.00 0.00 0.00 33.01 32.82 1sjq s GLN 54 CO 0.00 0.08 0.15 0.00 -2.12 0.00 0.00 175.29 173.40 1sjq s ALA 55 N 0.41 3.51 -0.18 6.09 0.00 -1.01 -1.43 121.76 129.15 1sjq s ALA 55 Ca -0.08 -1.68 -0.04 0.00 0.00 0.00 0.00 51.96 50.15 1sjq s ALA 55 Cb -0.12 -0.93 0.09 0.00 0.00 0.00 0.00 23.12 22.16 1sjq s ALA 55 CO 0.02 0.12 0.30 -0.06 0.00 0.00 0.00 175.76 176.13 1sjq s PHE 56 N -2.33 -0.51 -0.08 0.00 0.40 0.19 0.04 117.98 115.69 1sjq s PHE 56 Ca 0.36 0.84 0.01 0.00 -0.60 0.00 0.00 56.93 57.54 1sjq s PHE 56 Cb -0.05 -0.06 -0.03 0.00 0.51 0.00 0.00 43.02 43.40 1sjq s PHE 56 CO 0.23 -0.50 -0.10 0.96 0.70 0.00 0.00 175.22 176.51 1sjq s ILE 57 N 2.45 3.39 -0.53 0.64 -4.36 -1.00 0.00 121.20 121.79 1sjq s ILE 57 Ca 0.04 -0.58 -0.18 0.00 -0.26 0.00 0.00 60.65 59.68 1sjq s ILE 57 Cb -0.14 -2.39 0.09 0.00 1.25 0.00 0.00 42.46 41.28 1sjq s ILE 57 CO -0.11 0.57 0.58 -0.70 0.24 0.00 0.00 174.94 175.52 1sjq s GLU 58 N -0.46 3.04 0.02 0.37 2.12 0.20 -1.38 118.70 122.61 1sjq s GLU 58 Ca 0.06 -1.28 -0.30 0.00 0.36 0.00 0.00 54.97 53.81 1sjq s GLU 58 Cb -0.12 -4.20 -0.07 0.00 0.26 0.00 0.00 34.13 30.00 1sjq s GLU 58 CO 0.02 -1.30 1.58 -1.64 -0.54 0.00 0.00 175.26 173.38 1sjq s MET 59 N 2.24 4.22 0.39 4.30 -1.94 -0.96 -2.44 119.30 125.12 1sjq s MET 59 Ca 0.09 2.19 0.33 0.00 -1.71 0.00 0.00 55.69 56.59 1sjq s MET 59 Cb -0.24 -3.67 1.28 0.00 2.01 0.00 0.00 34.83 34.20 1sjq s MET 59 CO 0.07 -0.71 1.23 0.09 -0.01 0.00 0.00 175.02 175.70 1sjq n ASN 60 N 5.85 0.08 -3.48 3.03 4.13 -0.96 -4.48 115.26 119.44 1sjq n ASN 60 Ca 0.15 0.94 -0.15 0.00 1.68 0.00 0.00 54.58 57.20 1sjq n ASN 60 Cb 0.42 -0.47 -0.06 0.00 -1.54 0.00 0.00 39.78 38.13 1sjq n ASN 60 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1sjq s THR 61 N -4.69 0.00 0.03 3.41 -1.32 -1.26 -5.05 115.64 106.76 1sjq s THR 61 Ca -0.05 -1.77 -0.19 0.00 -1.21 0.00 0.00 61.69 58.47 1sjq s THR 61 Cb 0.23 -2.54 -0.18 0.00 -1.51 0.00 0.00 72.50 68.50 1sjq s THR 61 CO 0.68 0.00 1.23 -0.33 -2.21 0.00 0.00 174.62 173.99 1sjq h GLU 62 N 2.20 0.43 -0.44 7.08 3.07 -1.79 -3.02 114.58 122.12 1sjq h GLU 62 Ca -0.28 -0.33 0.13 0.00 -0.50 0.00 0.00 59.36 58.37 1sjq h GLU 62 Cb 1.24 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 29.19 1sjq h GLU 62 CO 0.40 0.96 0.59 0.93 -1.40 0.00 0.00 179.01 180.48 1sjq h GLU 63 N 0.00 0.00 0.01 2.33 5.08 -1.92 0.31 114.58 120.39 1sjq h GLU 63 Ca -0.02 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1sjq h GLU 63 Cb 1.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1sjq h GLU 63 CO 0.08 0.00 -0.48 0.00 -1.00 0.00 0.00 179.01 177.61 1sjq h ALA 64 N 1.25 0.09 -0.08 3.43 0.00 -1.61 -3.07 119.26 119.28 1sjq h ALA 64 Ca 0.21 -0.76 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 1sjq h ALA 64 Cb 1.38 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1sjq h ALA 64 CO -0.00 0.27 -0.23 0.00 0.00 0.00 0.00 179.25 179.29 1sjq h ALA 65 N -0.17 1.47 0.23 0.00 0.00 -0.98 -2.71 119.26 117.10 1sjq h ALA 65 Ca -0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1sjq h ALA 65 Cb 1.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1sjq h ALA 65 CO -0.07 0.38 -0.11 -0.97 0.00 0.00 0.00 179.25 178.48 1sjq h ASN 66 N 0.13 -0.26 -0.09 0.00 -1.24 -0.61 -3.06 115.58 110.45 1sjq h ASN 66 Ca 0.02 -0.27 0.03 0.00 0.71 0.00 0.00 56.30 56.79 1sjq h ASN 66 Cb 0.48 0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.59 1sjq h ASN 66 CO 0.03 0.21 0.19 0.74 -1.29 0.00 0.00 177.43 177.31 1sjq h THR 67 N -0.81 0.22 0.28 -3.57 2.02 -1.49 0.12 112.91 109.68 1sjq h THR 67 Ca -0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1sjq h THR 67 Cb 0.51 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1sjq h THR 67 CO 0.05 0.00 -0.13 -0.03 0.37 0.00 0.00 175.52 175.78 1sjq h MET 68 N 0.00 -0.36 -0.07 6.66 1.85 -1.39 -2.15 114.93 119.48 1sjq h MET 68 Ca 0.04 0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 59.14 1sjq h MET 68 Cb 0.42 0.08 -0.00 0.00 0.43 0.00 0.00 31.60 32.53 1sjq h MET 68 CO -0.00 -0.24 -0.02 0.28 -0.40 0.00 0.00 176.91 176.52 1sjq h VAL 69 N -0.60 1.31 -0.98 -5.77 2.07 -1.43 -2.40 116.25 108.46 1sjq h VAL 69 Ca -0.04 -0.99 0.15 0.00 0.82 0.00 0.00 66.70 66.64 1sjq h VAL 69 Cb 0.29 1.84 -0.10 0.00 -1.52 0.00 0.00 31.29 31.80 1sjq h VAL 69 CO 0.06 0.27 0.59 -1.13 0.02 0.00 0.00 177.57 177.39 1sjq h ASN 70 N -0.23 0.80 -0.28 0.57 -0.00 -0.93 0.34 115.58 115.85 1sjq h ASN 70 Ca 0.02 0.08 -0.07 0.00 -0.00 0.00 0.00 56.30 56.32 1sjq h ASN 70 Cb 0.45 -0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 38.69 1sjq h ASN 70 CO 0.01 0.35 -0.09 0.22 -0.00 0.00 0.00 177.43 177.92 1sjq h TYR 71 N 0.83 0.64 -0.21 0.67 3.20 -1.32 -2.73 116.97 118.05 1sjq h TYR 71 Ca 0.53 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 62.25 1sjq h TYR 71 Cb 0.69 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.81 1sjq h TYR 71 CO -0.02 0.78 0.00 0.66 -1.64 0.00 0.00 178.16 177.94 1sjq n TYR 72 N -4.48 0.37 0.31 -3.82 4.01 -0.53 -3.95 117.16 109.08 1sjq n TYR 72 Ca -0.03 -0.16 0.10 0.00 -0.16 0.00 0.00 57.90 57.65 1sjq n TYR 72 Cb 0.33 -0.06 0.46 0.00 -0.31 0.00 0.00 39.34 39.77 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 0.15 1.00 0.00 -0.72 -1.04 0.11 -3.64 114.28 110.14 1sjq n THR 73 Ca 0.08 0.40 0.00 0.00 -2.04 0.00 0.00 64.05 62.49 1sjq n THR 73 Cb 0.27 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.44 1sjq n THR 73 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1sjq n SER 74 N -2.11 2.46 -4.61 8.00 7.64 -1.25 -5.06 113.62 118.68 1sjq n SER 74 Ca 0.01 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.55 1sjq n SER 74 Cb 0.15 0.01 -0.11 0.00 -1.01 0.00 0.00 64.21 63.25 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 -1.61 3.99 -0.06 0.44 0.11 -1.24 -5.12 120.40 116.91 1sjq s VAL 75 Ca 0.00 -0.36 -0.03 0.00 -2.93 0.00 0.00 61.98 58.66 1sjq s VAL 75 Cb 0.00 -2.67 -0.04 0.00 -1.53 0.00 0.00 36.38 32.15 1sjq s VAL 75 CO 0.00 0.59 0.09 -0.89 -3.33 0.00 0.00 175.10 171.56 1sjq s THR 76 N -0.69 4.92 0.06 5.04 2.01 -1.26 -4.17 115.64 121.54 1sjq s THR 76 Ca 0.11 -0.17 -0.09 0.00 0.31 0.00 0.00 61.69 61.86 1sjq s THR 76 Cb -0.11 -3.18 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 1sjq s THR 76 CO 0.02 0.49 0.36 -2.16 -0.69 0.00 0.00 174.62 172.64 1sjq s PRO 77 N -1.34 3.70 0.22 4.92 0.04 -1.26 -4.96 135.00 136.32 1sjq s PRO 77 Ca 0.19 0.09 0.02 0.00 0.04 0.00 0.00 61.00 61.34 1sjq s PRO 77 Cb -0.12 -3.02 -0.05 0.00 0.04 0.00 0.00 34.50 31.35 1sjq s PRO 77 CO 0.09 0.59 0.02 0.14 0.04 0.00 0.00 177.00 177.88 1sjq s VAL 78 N -1.37 0.79 -0.38 -0.36 -7.23 -1.26 -0.24 120.40 110.35 1sjq s VAL 78 Ca 0.31 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.40 1sjq s VAL 78 Cb -0.14 -2.34 0.06 0.00 0.56 0.00 0.00 36.38 34.52 1sjq s VAL 78 CO 0.18 -0.30 0.18 -1.48 -0.31 0.00 0.00 175.10 173.37 1sjq s LEU 79 N -3.26 4.73 -0.38 1.32 0.05 0.15 -4.71 118.68 116.59 1sjq s LEU 79 Ca 0.29 -1.30 -0.05 0.00 0.05 0.00 0.00 54.13 53.13 1sjq s LEU 79 Cb 0.06 -1.93 0.05 0.00 -2.05 0.00 0.00 46.19 42.32 1sjq s LEU 79 CO 0.08 -0.42 0.12 -1.14 -0.55 0.00 0.00 176.35 174.44 1sjq n ARG 80 N 4.87 -1.43 0.00 1.48 0.00 -1.26 -0.30 116.66 120.02 1sjq n ARG 80 Ca -0.11 0.03 0.00 0.00 -0.00 0.00 0.00 57.85 57.77 1sjq n ARG 80 Cb 0.44 -2.05 0.00 0.00 0.00 0.00 0.00 32.46 30.85 1sjq n ARG 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1sjq n GLY 81 N -0.46 1.38 2.89 5.14 0.00 -1.26 -5.12 105.19 107.75 1sjq n GLY 81 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.08 0.48 0.13 1.61 0.74 0.59 -5.13 119.66 118.00 1sjq s GLN 82 Ca 0.00 -0.14 -0.31 0.00 0.05 0.00 0.00 55.36 54.95 1sjq s GLN 82 Cb 0.00 -0.40 -0.10 0.00 1.10 0.00 0.00 33.01 33.61 1sjq s GLN 82 CO 0.00 -1.08 1.78 -2.14 -0.55 0.00 0.00 175.29 173.29 1sjq s PRO 83 N 2.23 4.15 -0.21 1.67 0.02 -1.26 0.34 135.00 141.94 1sjq s PRO 83 Ca 0.12 2.55 -0.04 0.00 0.02 0.00 0.00 61.00 63.65 1sjq s PRO 83 Cb -0.12 -3.49 0.07 0.00 0.02 0.00 0.00 34.50 30.97 1sjq s PRO 83 CO -0.23 -0.80 0.08 0.96 -0.33 0.00 0.00 177.00 176.68 1sjq s ILE 84 N 2.40 0.17 0.48 2.83 -4.36 0.67 -4.67 121.20 118.72 1sjq s ILE 84 Ca 0.79 -0.47 -0.22 0.00 -0.26 0.00 0.00 60.65 60.48 1sjq s ILE 84 Cb -0.46 -0.86 -0.07 0.00 1.25 0.00 0.00 42.46 42.33 1sjq s ILE 84 CO 0.35 -0.36 1.18 -0.31 0.24 0.00 0.00 174.94 176.04 1sjq s TYR 85 N 2.01 2.79 -0.29 1.37 1.51 -0.26 -4.11 117.35 120.37 1sjq s TYR 85 Ca 0.03 1.52 0.01 0.00 -1.01 0.00 0.00 57.07 57.62 1sjq s TYR 85 Cb -0.16 -3.41 0.09 0.00 -0.11 0.00 0.00 41.96 38.36 1sjq s TYR 85 CO -0.14 -1.65 0.03 0.42 -1.11 0.00 0.00 175.55 173.10 1sjq s ILE 86 N -1.55 1.51 0.39 2.71 1.01 -1.26 -0.11 121.20 123.90 1sjq s ILE 86 Ca 0.66 -1.60 0.04 0.00 0.00 0.00 0.00 60.65 59.75 1sjq s ILE 86 Cb -0.29 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 1sjq s ILE 86 CO 0.35 -0.44 0.07 -1.10 0.00 0.00 0.00 174.94 173.82 1sjq s GLN 87 N 1.33 1.87 0.92 2.79 -0.21 0.04 -4.41 119.66 122.01 1sjq s GLN 87 Ca 0.04 -2.11 -0.12 0.00 0.02 0.00 0.00 55.36 53.19 1sjq s GLN 87 Cb -0.18 -0.96 0.15 0.00 1.00 0.00 0.00 33.01 33.01 1sjq s GLN 87 CO -0.13 -0.31 1.10 -0.06 -2.12 0.00 0.00 175.29 173.77 1sjq s PHE 88 N -3.14 2.33 0.51 0.91 0.08 -1.26 0.25 117.98 117.67 1sjq s PHE 88 Ca 0.27 1.08 0.07 0.00 0.12 0.00 0.00 56.93 58.46 1sjq s PHE 88 Cb 0.05 -3.23 0.03 0.00 -0.57 0.00 0.00 43.02 39.30 1sjq s PHE 88 CO 0.13 -2.50 0.43 -1.54 -0.10 0.00 0.00 175.22 171.64 1sjq s SER 89 N -3.59 4.76 -0.57 1.36 1.04 0.33 -3.67 113.70 113.36 1sjq s SER 89 Ca 0.64 -1.08 -0.02 0.00 0.48 0.00 0.00 55.95 55.96 1sjq s SER 89 Cb -0.17 0.14 0.32 0.00 0.10 0.00 0.00 66.02 66.41 1sjq s SER 89 CO 0.56 -1.00 2.11 -3.20 0.98 0.00 0.00 173.24 172.69 1sjq n ASN 90 N -1.74 7.19 -2.54 7.02 2.85 -1.26 -4.79 115.26 121.98 1sjq n ASN 90 Ca 0.01 -3.52 -0.19 0.00 -0.11 0.00 0.00 54.58 50.78 1sjq n ASN 90 Cb 0.63 -1.04 0.03 0.00 1.24 0.00 0.00 39.78 40.64 1sjq n ASN 90 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 1sjq n HIS 91 N -0.29 -1.59 -1.99 1.20 -0.00 -1.26 -4.88 115.22 106.40 1sjq n HIS 91 Ca 0.50 0.40 -0.39 0.00 -0.00 0.00 0.00 57.72 58.23 1sjq n HIS 91 Cb 0.56 -3.96 -0.03 0.00 -0.00 0.00 0.00 29.99 26.57 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 -3.46 2.38 -1.63 1.57 4.76 -1.26 -4.95 118.16 115.57 1sjq n LYS 92 Ca -0.11 -2.65 -0.44 0.00 -2.87 0.00 0.00 58.31 52.23 1sjq n LYS 92 Cb 0.61 -3.41 -0.02 0.00 -1.84 0.00 0.00 35.03 30.38 1sjq n LYS 92 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1sjq n GLU 93 N 7.62 1.67 -1.54 1.97 4.71 -1.26 -4.75 120.64 129.05 1sjq n GLU 93 Ca 0.49 0.59 -0.55 0.00 -0.01 0.00 0.00 57.16 57.67 1sjq n GLU 93 Cb 0.44 -2.07 -0.08 0.00 -1.01 0.00 0.00 31.44 28.72 1sjq n GLU 93 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1sjq n LEU 94 N 1.26 2.07 -4.67 -4.62 4.77 -1.26 -4.94 117.00 109.62 1sjq n LEU 94 Ca 0.09 0.74 -0.26 0.00 -0.03 0.00 0.00 56.01 56.55 1sjq n LEU 94 Cb 0.33 -1.16 -0.08 0.00 -2.33 0.00 0.00 43.42 40.18 1sjq n LEU 94 CO 0.61 -0.59 -0.32 -1.59 -1.33 0.00 0.00 177.39 174.17 1sjq s LYS 95 N 5.02 2.44 -0.10 3.23 -2.85 -1.26 -5.09 119.74 121.13 1sjq s LYS 95 Ca 1.06 -1.09 -0.30 0.00 -1.00 0.00 0.00 55.97 54.64 1sjq s LYS 95 Cb -1.04 -2.38 -0.02 0.00 -2.06 0.00 0.00 37.83 32.33 1sjq s LYS 95 CO 0.59 0.46 1.20 0.95 0.10 0.00 0.00 175.35 178.64 1sjq s THR 96 N -1.74 4.31 0.30 3.79 -4.23 -1.26 -4.99 115.64 111.82 1sjq s THR 96 Ca 0.28 1.62 -0.29 0.00 -1.18 0.00 0.00 61.69 62.11 1sjq s THR 96 Cb -0.09 -4.04 -0.10 0.00 1.34 0.00 0.00 72.50 69.61 1sjq s THR 96 CO 0.19 -0.05 1.32 -1.81 -0.54 0.00 0.00 174.62 173.73 1sjq s ASP 97 N 1.59 6.79 0.10 3.99 1.01 -1.26 -4.93 116.67 123.95 1sjq s ASP 97 Ca 0.55 2.64 0.22 0.00 0.71 0.00 0.00 52.55 56.67 1sjq s ASP 97 Cb -0.23 -2.64 -0.15 0.00 1.01 0.00 0.00 42.92 40.91 1sjq s ASP 97 CO 0.19 -0.54 0.79 -1.20 0.21 0.00 0.00 175.17 174.61 1sjq n SER 98 N 1.23 0.49 0.00 0.27 7.64 -1.26 -5.36 113.62 116.63 1sjq n SER 98 Ca 0.02 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1sjq n SER 98 Cb 0.42 1.09 0.00 0.00 -1.01 0.00 0.00 64.21 64.70 1sjq n SER 98 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79