#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgo s GLU 2 N 0.00 2.82 0.33 3.17 1.03 -1.26 -5.00 118.70 119.78 1sgo s GLU 2 Ca 0.00 -1.23 0.26 0.00 0.03 0.00 0.00 54.97 54.03 1sgo s GLU 2 Cb 0.00 -2.56 0.94 0.00 -0.80 0.00 0.00 34.13 31.71 1sgo s GLU 2 CO 0.00 0.08 1.77 1.79 -1.33 0.00 0.00 175.26 177.57 1sgo h THR 3 N 1.15 0.00 -1.92 1.83 1.35 -2.14 -3.49 112.91 109.69 1sgo h THR 3 Ca -0.45 -0.44 0.19 0.00 -0.55 0.00 0.00 66.41 65.15 1sgo h THR 3 Cb 1.25 1.33 -0.05 0.00 -1.73 0.00 0.00 68.15 68.96 1sgo h THR 3 CO 0.57 0.00 -0.25 -0.67 -0.25 0.00 0.00 175.52 174.92 1sgo n ASP 4 N -2.53 -5.25 -3.72 5.36 2.03 -1.26 -4.93 116.55 106.25 1sgo n ASP 4 Ca 0.03 0.73 -0.15 0.00 0.52 0.00 0.00 54.79 55.92 1sgo n ASP 4 Cb 0.33 -2.06 -0.15 0.00 -0.72 0.00 0.00 41.12 38.52 1sgo n ASP 4 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sgo s ASN 6 N 1.58 0.34 0.00 0.00 4.22 -1.26 -5.05 114.94 114.77 1sgo s ASN 6 Ca -0.04 -2.12 0.00 0.00 -2.14 0.00 0.00 52.86 48.56 1sgo s ASN 6 Cb -0.12 0.69 0.00 0.00 1.28 0.00 0.00 41.25 43.10 1sgo s ASN 6 CO -0.05 -0.16 0.00 -0.81 -2.04 0.00 0.00 177.10 174.04 1sgo n PRO 7 N 3.36 0.00 -2.75 3.55 -0.05 -1.26 -5.01 135.00 132.83 1sgo n PRO 7 Ca 0.20 0.00 -0.05 0.00 -0.05 0.00 0.00 63.50 63.60 1sgo n PRO 7 Cb 0.50 -0.14 0.02 0.00 -0.05 0.00 0.00 33.50 33.83 1sgo n PRO 7 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 175.50 175.33 1sgo n MET 8 N -0.59 0.55 0.20 0.54 1.56 -1.26 -5.06 117.12 113.07 1sgo n MET 8 Ca 0.00 -1.94 -0.09 0.00 -0.27 0.00 0.00 57.70 55.40 1sgo n MET 8 Cb 0.00 -1.40 -0.04 0.00 2.15 0.00 0.00 33.22 33.92 1sgo n MET 8 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 1sgo h GLU 9 N 4.82 -0.55 -5.49 2.12 4.81 -1.98 -3.40 114.58 114.92 1sgo h GLU 9 Ca 0.03 0.04 -0.65 0.00 -0.13 0.00 0.00 59.36 58.65 1sgo h GLU 9 Cb 1.10 0.13 -0.15 0.00 0.63 0.00 0.00 28.75 30.46 1sgo h GLU 9 CO 0.05 -0.37 0.18 -0.51 -0.73 0.00 0.00 179.01 177.63 1sgo s LEU 10 N -8.55 4.45 0.00 1.64 1.02 -1.26 -4.89 118.68 111.09 1sgo s LEU 10 Ca -0.08 -0.30 0.30 0.00 0.02 0.00 0.00 54.13 54.06 1sgo s LEU 10 Cb 0.01 -2.78 1.46 0.00 0.02 0.00 0.00 46.19 44.90 1sgo s LEU 10 CO 0.25 -0.82 2.02 -1.20 0.02 0.00 0.00 176.35 176.62 1sgo n SER 11 N 6.38 0.05 -0.29 2.29 7.64 -1.26 -3.67 113.62 124.76 1sgo n SER 11 Ca -0.01 -0.14 -0.00 0.00 1.01 0.00 0.00 58.87 59.73 1sgo n SER 11 Cb 0.48 -0.27 0.12 0.00 -1.01 0.00 0.00 64.21 63.53 1sgo n SER 11 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1sgo h SER 12 N 0.06 0.77 -3.06 6.43 4.64 -1.97 -3.35 113.55 117.06 1sgo h SER 12 Ca 0.00 0.02 -0.57 0.00 -0.47 0.00 0.00 61.79 60.77 1sgo h SER 12 Cb 0.31 -0.15 -0.40 0.00 -0.31 0.00 0.00 62.40 61.86 1sgo h SER 12 CO 0.00 0.50 -0.76 -0.32 -0.87 0.00 0.00 176.83 175.38 1sgo s MET 13 N -6.08 0.60 0.71 4.77 -2.45 -1.24 -5.13 119.30 110.48 1sgo s MET 13 Ca -0.13 -0.98 -0.09 0.00 -1.25 0.00 0.00 55.69 53.24 1sgo s MET 13 Cb 0.17 -1.77 0.05 0.00 1.25 0.00 0.00 34.83 34.53 1sgo s MET 13 CO 0.78 -1.01 1.06 0.45 1.05 0.00 0.00 175.02 177.35 1sgo s SER 14 N 1.67 5.01 0.96 1.11 0.15 -1.26 -4.94 113.70 116.41 1sgo s SER 14 Ca 0.10 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.49 1sgo s SER 14 Cb -0.17 -1.44 0.00 0.00 -1.71 0.00 0.00 66.02 62.70 1sgo s SER 14 CO -0.26 -1.53 0.00 0.61 1.20 0.00 0.00 173.24 173.26 1sgo n GLY 15 N -2.98 -1.92 2.98 9.45 0.00 -1.26 -5.01 105.19 106.45 1sgo n GLY 15 Ca 0.07 -1.53 -0.31 0.00 0.00 0.00 0.00 46.02 44.24 1sgo n GLY 15 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sgo s PHE 16 N -0.96 3.35 0.16 1.61 5.36 -1.26 -5.08 117.98 121.16 1sgo s PHE 16 Ca 0.00 -3.10 -0.02 0.00 -0.96 0.00 0.00 56.93 52.85 1sgo s PHE 16 Cb 0.00 -2.91 -0.05 0.00 -0.34 0.00 0.00 43.02 39.72 1sgo s PHE 16 CO 0.00 -0.72 0.37 -1.21 -1.46 0.00 0.00 175.22 172.19 1sgo s GLU 17 N -0.55 3.55 -0.59 10.12 0.41 -1.26 -5.02 118.70 125.36 1sgo s GLU 17 Ca 0.19 -0.24 -0.27 0.00 -0.41 0.00 0.00 54.97 54.24 1sgo s GLU 17 Cb -0.19 -2.86 -0.01 0.00 -1.78 0.00 0.00 34.13 29.29 1sgo s GLU 17 CO -0.05 0.45 1.72 -2.00 -0.49 0.00 0.00 175.26 174.89 1sgo s GLU 18 N -2.97 2.86 -0.90 1.61 -6.30 -1.26 -4.89 118.70 106.85 1sgo s GLU 18 Ca 0.39 0.57 0.00 0.00 -2.50 0.00 0.00 54.97 53.43 1sgo s GLU 18 Cb -0.12 -4.31 0.33 0.00 0.00 0.00 0.00 34.13 30.03 1sgo s GLU 18 CO 0.27 -2.47 1.62 0.41 0.02 0.00 0.00 175.26 175.11 1sgo n GLY 19 N 5.57 5.98 3.55 -1.50 0.00 -1.26 -5.03 105.19 112.50 1sgo n GLY 19 Ca 0.17 -2.63 0.06 0.00 0.00 0.00 0.00 46.02 43.63 1sgo n GLY 19 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sgo n SER 20 N -0.15 -3.99 -4.89 1.61 7.64 -1.26 -4.87 113.62 107.70 1sgo n SER 20 Ca 0.44 0.47 -0.32 0.00 1.01 0.00 0.00 58.87 60.47 1sgo n SER 20 Cb 0.30 -1.31 -0.05 0.00 -1.01 0.00 0.00 64.21 62.14 1sgo n SER 20 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1sgo s GLU 21 N -0.92 3.66 -1.13 1.43 1.03 -1.26 -5.00 118.70 116.51 1sgo s GLU 21 Ca 0.00 0.00 -0.21 0.00 0.03 0.00 0.00 54.97 54.79 1sgo s GLU 21 Cb 0.00 -2.80 0.03 0.00 -0.80 0.00 0.00 34.13 30.56 1sgo s GLU 21 CO 0.00 0.43 1.69 -0.51 -1.33 0.00 0.00 175.26 175.53 1sgo s LEU 22 N -2.70 3.53 0.00 1.83 1.43 -1.26 -4.63 118.68 116.88 1sgo s LEU 22 Ca 0.43 -1.77 0.16 0.00 -1.03 0.00 0.00 54.13 51.92 1sgo s LEU 22 Cb -0.12 -2.58 -0.14 0.00 0.03 0.00 0.00 46.19 43.38 1sgo s LEU 22 CO 0.24 -1.74 0.73 -0.46 0.23 0.00 0.00 176.35 175.34 1sgo n ASN 23 N 10.06 0.95 -4.55 2.29 0.23 -1.26 -4.85 115.26 118.13 1sgo n ASN 23 Ca 0.42 -0.98 -0.40 0.00 -0.53 0.00 0.00 54.58 53.09 1sgo n ASN 23 Cb 0.48 0.89 -0.03 0.00 -2.08 0.00 0.00 39.78 39.04 1sgo n ASN 23 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1sgo s GLY 24 N -2.42 0.63 -0.71 4.83 0.00 -1.26 -4.94 107.32 103.44 1sgo s GLY 24 Ca 0.08 -1.11 -0.26 0.00 0.00 0.00 0.00 44.72 43.43 1sgo s GLY 24 CO 0.62 2.93 1.63 -1.36 0.00 0.00 0.00 173.10 176.92 1sgo s PHE 25 N 6.96 1.95 0.00 1.90 0.08 -1.26 -4.82 117.98 122.79 1sgo s PHE 25 Ca 0.47 0.37 0.00 0.00 0.12 0.00 0.00 56.93 57.88 1sgo s PHE 25 Cb -0.10 -4.32 0.00 0.00 -0.57 0.00 0.00 43.02 38.03 1sgo s PHE 25 CO 0.17 -2.15 0.00 0.39 -0.10 0.00 0.00 175.22 173.53 1sgo n GLU 26 N 9.21 0.00 0.00 0.44 4.71 -1.26 -5.00 120.64 128.74 1sgo n GLU 26 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.32 1sgo n GLU 26 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.93 1sgo n GLU 26 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1sgo n GLY 27 N 0.00 2.99 3.55 0.62 0.00 -1.26 -5.05 105.19 106.03 1sgo n GLY 27 Ca 0.00 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 1sgo n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sgo s THR 28 N 0.00 3.78 0.11 2.61 2.01 -1.26 -4.98 115.64 117.90 1sgo s THR 28 Ca 0.00 0.18 -0.31 0.00 0.31 0.00 0.00 61.69 61.87 1sgo s THR 28 Cb 0.00 -4.93 -0.07 0.00 0.01 0.00 0.00 72.50 67.51 1sgo s THR 28 CO 0.00 -1.86 1.24 -1.81 -0.69 0.00 0.00 174.62 171.50 1sgo s ASP 29 N 3.94 7.03 -0.18 3.53 1.01 -1.26 -4.39 116.67 126.34 1sgo s ASP 29 Ca 0.36 2.14 -0.06 0.00 0.71 0.00 0.00 52.55 55.70 1sgo s ASP 29 Cb -0.07 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.30 1sgo s ASP 29 CO 0.11 -0.48 0.12 0.23 0.21 0.00 0.00 175.17 175.36 1sgo n MET 30 N 3.55 -3.26 -3.26 8.23 2.81 -1.26 -4.96 117.12 118.97 1sgo n MET 30 Ca 0.08 2.61 -0.42 0.00 -1.81 0.00 0.00 57.70 58.16 1sgo n MET 30 Cb 0.45 -4.27 -0.08 0.00 -0.71 0.00 0.00 33.22 28.61 1sgo n MET 30 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1sgo s LYS 31 N -0.95 3.45 -0.16 0.03 1.02 -1.26 -5.02 119.74 116.85 1sgo s LYS 31 Ca -0.14 -0.36 -0.29 0.00 0.02 0.00 0.00 55.97 55.21 1sgo s LYS 31 Cb 0.01 -3.87 -0.05 0.00 -0.52 0.00 0.00 37.83 33.40 1sgo s LYS 31 CO 0.62 -0.73 1.98 0.34 -0.92 0.00 0.00 175.35 176.63 1sgo s ASP 32 N 1.81 5.97 0.00 2.83 -1.08 -1.26 -4.46 116.67 120.48 1sgo s ASP 32 Ca 0.17 2.00 0.06 0.00 -0.52 0.00 0.00 52.55 54.26 1sgo s ASP 32 Cb -0.16 -2.52 0.31 0.00 -1.46 0.00 0.00 42.92 39.10 1sgo s ASP 32 CO 0.14 -1.53 1.08 0.80 0.52 0.00 0.00 175.17 176.18 1sgo n MET 33 N 8.15 0.08 -0.30 4.34 0.00 0.97 -2.67 117.12 127.68 1sgo n MET 33 Ca 0.24 0.25 0.05 0.00 -0.00 0.00 0.00 57.70 58.25 1sgo n MET 33 Cb 0.44 -1.50 0.20 0.00 0.00 0.00 0.00 33.22 32.36 1sgo n MET 33 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 1sgo h ARG 34 N 0.00 0.73 0.05 2.12 2.43 -1.87 0.14 114.38 117.98 1sgo h ARG 34 Ca 0.00 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1sgo h ARG 34 Cb 0.07 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1sgo h ARG 34 CO 0.00 0.49 -0.02 -0.07 -1.51 0.00 0.00 179.97 178.85 1sgo h LEU 35 N 0.76 -0.06 -1.44 3.80 3.38 -1.91 0.27 115.31 120.11 1sgo h LEU 35 Ca 0.44 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.19 1sgo h LEU 35 Cb 0.50 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1sgo h LEU 35 CO -0.29 0.13 -0.27 -0.33 0.09 0.00 0.00 178.44 177.77 1sgo h GLU 36 N -0.24 0.02 0.22 1.13 4.39 -1.69 -2.52 114.58 115.89 1sgo h GLU 36 Ca -0.01 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1sgo h GLU 36 Cb 0.21 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1sgo h GLU 36 CO 0.01 0.28 -0.11 0.00 -1.16 0.00 0.00 179.01 178.04 1sgo h ALA 37 N 1.72 -0.30 0.00 3.43 0.00 -0.10 -2.41 119.26 121.60 1sgo h ALA 37 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1sgo h ALA 37 Cb 0.48 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1sgo h ALA 37 CO 0.04 -0.46 -0.01 0.93 0.00 0.00 0.00 179.25 179.74 1sgo h GLU 38 N -0.72 0.00 0.57 0.00 5.08 -0.87 -0.65 114.58 117.99 1sgo h GLU 38 Ca -0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1sgo h GLU 38 Cb 0.49 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.75 1sgo h GLU 38 CO 0.05 0.01 -0.27 0.00 -1.00 0.00 0.00 179.01 177.80 1sgo h ALA 39 N 1.99 -0.76 -0.95 3.43 0.00 -1.38 -2.94 119.26 118.64 1sgo h ALA 39 Ca -0.00 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.82 1sgo h ALA 39 Cb 0.02 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 1sgo h ALA 39 CO 0.00 -0.86 0.59 0.28 0.00 0.00 0.00 179.25 179.25 1sgo h VAL 40 N -0.90 0.95 -0.81 0.00 2.07 -0.80 0.11 116.25 116.86 1sgo h VAL 40 Ca -0.08 -0.33 0.10 0.00 0.82 0.00 0.00 66.70 67.22 1sgo h VAL 40 Cb 0.63 -0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.24 1sgo h VAL 40 CO 0.13 0.18 0.53 0.58 0.02 0.00 0.00 177.57 179.00 1sgo h VAL 41 N 0.97 0.93 0.13 2.57 2.07 -1.11 -1.38 116.25 120.42 1sgo h VAL 41 Ca 0.46 -0.25 -0.26 0.00 0.82 0.00 0.00 66.70 67.47 1sgo h VAL 41 Cb 0.39 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1sgo h VAL 41 CO -0.24 0.13 -1.30 0.78 0.02 0.00 0.00 177.57 176.96 1sgo h ASN 42 N 0.72 0.43 -0.62 0.57 4.21 -1.03 -3.10 115.58 116.76 1sgo h ASN 42 Ca 0.38 -0.88 0.06 0.00 1.21 0.00 0.00 56.30 57.07 1sgo h ASN 42 Cb 0.50 -0.14 -0.06 0.00 -1.12 0.00 0.00 38.32 37.50 1sgo h ASN 42 CO -0.15 1.58 0.32 0.44 -1.29 0.00 0.00 177.43 178.33 1sgo h ASP 43 N -0.28 0.45 -0.42 5.81 5.19 -0.37 -2.41 116.42 124.39 1sgo h ASP 43 Ca -0.27 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.18 1sgo h ASP 43 Cb 1.77 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 41.23 1sgo h ASP 43 CO 0.09 0.29 0.00 1.33 -3.12 0.00 0.00 179.24 177.83 1sgo n VAL 44 N -4.85 1.94 -0.12 -1.35 0.24 -0.56 -4.62 118.33 109.01 1sgo n VAL 44 Ca 0.07 -1.45 -0.07 0.00 -2.04 0.00 0.00 64.34 60.85 1sgo n VAL 44 Cb 0.18 0.01 0.01 0.00 -1.47 0.00 0.00 33.84 32.57 1sgo n VAL 44 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1sgo h LEU 45 N 2.73 0.37 0.00 1.34 5.85 -1.35 -1.97 115.31 122.28 1sgo h LEU 45 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1sgo h LEU 45 Cb 1.36 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1sgo h LEU 45 CO 0.21 0.27 0.00 2.22 -0.34 0.00 0.00 178.44 180.80 1sgo n PHE 46 N -4.87 0.00 0.43 1.25 1.16 -1.26 -2.44 117.46 111.73 1sgo n PHE 46 Ca 0.01 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.71 1sgo n PHE 46 Cb 0.06 -0.42 0.16 0.00 -1.61 0.00 0.00 39.48 37.67 1sgo n PHE 46 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1sgo h ALA 47 N 2.91 0.67 -3.78 1.98 0.00 -1.68 -3.47 119.26 115.88 1sgo h ALA 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sgo h ALA 47 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1sgo h ALA 47 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.58 1sgo n VAL 48 N -2.38 0.00 -0.07 0.00 0.24 -1.02 -4.25 118.33 110.85 1sgo n VAL 48 Ca 0.03 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.11 1sgo n VAL 48 Cb 0.47 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.72 1sgo n VAL 48 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1sgo n ASN 49 N -1.15 2.03 -3.77 -1.34 5.15 0.23 -4.44 115.26 111.97 1sgo n ASN 49 Ca 0.00 0.16 -0.13 0.00 -0.60 0.00 0.00 54.58 54.01 1sgo n ASN 49 Cb 0.00 -0.75 -0.10 0.00 -0.53 0.00 0.00 39.78 38.40 1sgo n ASN 49 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1sgo s ASN 50 N -6.92 -0.28 -0.09 1.20 3.84 -0.45 -5.00 114.94 107.24 1sgo s ASN 50 Ca -0.29 0.46 -0.02 0.00 0.21 0.00 0.00 52.86 53.22 1sgo s ASN 50 Cb 0.08 0.54 0.03 0.00 -0.55 0.00 0.00 41.25 41.36 1sgo s ASN 50 CO 0.66 -0.22 0.02 -0.32 -2.79 0.00 0.00 177.10 174.46 1sgo s MET 51 N -0.32 0.44 -0.04 0.43 1.75 -1.26 -0.35 119.30 119.95 1sgo s MET 51 Ca -0.04 0.08 -0.01 0.00 -1.25 0.00 0.00 55.69 54.46 1sgo s MET 51 Cb -0.03 -1.09 0.03 0.00 2.84 0.00 0.00 34.83 36.58 1sgo s MET 51 CO 0.02 -0.38 0.09 0.12 -0.65 0.00 0.00 175.02 174.22 1sgo s PHE 52 N 2.01 -0.06 -0.31 4.11 5.36 -0.45 -5.02 117.98 123.61 1sgo s PHE 52 Ca 0.04 0.31 -0.29 0.00 -0.96 0.00 0.00 56.93 56.03 1sgo s PHE 52 Cb -0.13 -0.18 0.00 0.00 -0.34 0.00 0.00 43.02 42.38 1sgo s PHE 52 CO -0.05 -0.13 1.25 0.14 -1.46 0.00 0.00 175.22 174.96 1sgo s VAL 53 N 1.20 4.21 0.00 3.12 -7.23 -1.26 -0.31 120.40 120.13 1sgo s VAL 53 Ca -0.08 1.38 0.00 0.00 -1.81 0.00 0.00 61.98 61.46 1sgo s VAL 53 Cb -0.12 -4.22 0.00 0.00 0.56 0.00 0.00 36.38 32.60 1sgo s VAL 53 CO -0.04 -0.49 0.00 -1.20 -0.31 0.00 0.00 175.10 173.06 1sgo n SER 54 N 7.47 0.00 0.00 4.85 7.64 -0.10 -4.84 113.62 128.64 1sgo n SER 54 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1sgo n SER 54 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1sgo n SER 54 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1sgo n LYS 55 N 0.35 0.00 0.00 1.43 4.81 -1.26 -4.47 118.16 119.03 1sgo n LYS 55 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1sgo n LYS 55 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1sgo n LYS 55 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1sgo n SER 56 N 0.00 0.07 -0.14 3.14 7.64 -1.26 -5.08 113.62 117.99 1sgo n SER 56 Ca 0.00 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 58.85 1sgo n SER 56 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1sgo n SER 56 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1sgo n LEU 57 N -0.01 0.00 -3.70 -3.43 4.77 -1.26 -5.09 117.00 108.28 1sgo n LEU 57 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 1sgo n LEU 57 Cb 0.41 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 1sgo n LEU 57 CO 0.00 0.00 0.68 0.00 -1.33 0.00 0.00 177.39 176.74 1sgo s ARG 58 N 4.07 1.17 -0.36 3.23 1.70 -1.26 -5.02 118.95 122.48 1sgo s ARG 58 Ca 0.00 -0.60 0.00 0.00 -0.47 0.00 0.00 55.73 54.66 1sgo s ARG 58 Cb 0.00 0.43 0.12 0.00 -0.57 0.00 0.00 34.95 34.92 1sgo s ARG 58 CO 0.00 -0.53 0.16 0.00 -1.08 0.00 0.00 175.30 173.85 1sgo s ALA 60 N 1.15 4.10 0.00 0.00 0.00 -0.10 -4.85 121.76 122.05 1sgo s ALA 60 Ca 0.13 -3.58 0.00 0.00 0.00 0.00 0.00 51.96 48.51 1sgo s ALA 60 Cb -0.20 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1sgo s ALA 60 CO -0.14 -2.17 0.00 -3.47 0.00 0.00 0.00 175.76 169.98 1sgo n ASP 61 N 3.02 0.00 0.11 0.00 2.03 -1.26 -2.58 116.55 117.87 1sgo n ASP 61 Ca 0.16 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.44 1sgo n ASP 61 Cb 0.39 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 40.91 1sgo n ASP 61 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1sgo h ASP 62 N 0.00 0.07 -4.01 1.67 3.58 -1.93 0.27 116.42 116.07 1sgo h ASP 62 Ca 0.00 -0.05 -0.69 0.00 0.42 0.00 0.00 57.03 56.72 1sgo h ASP 62 Cb 0.00 -0.02 -0.27 0.00 1.72 0.00 0.00 39.33 40.76 1sgo h ASP 62 CO 0.00 0.73 -0.82 0.54 -2.88 0.00 0.00 179.24 176.81 1sgo s VAL 63 N -3.49 2.58 -0.23 2.25 0.11 -1.06 -4.35 120.40 116.21 1sgo s VAL 63 Ca -0.02 -0.88 -0.01 0.00 -2.93 0.00 0.00 61.98 58.14 1sgo s VAL 63 Cb 0.12 -1.99 0.06 0.00 -1.53 0.00 0.00 36.38 33.05 1sgo s VAL 63 CO 0.78 0.57 -0.01 0.00 -3.33 0.00 0.00 175.10 173.12 1sgo s ALA 64 N -0.37 1.60 -0.27 1.54 0.00 0.23 -0.93 121.76 123.57 1sgo s ALA 64 Ca 0.03 -1.16 -0.23 0.00 0.00 0.00 0.00 51.96 50.60 1sgo s ALA 64 Cb -0.12 -1.36 -0.01 0.00 0.00 0.00 0.00 23.12 21.63 1sgo s ALA 64 CO 0.02 -1.23 0.78 0.71 0.00 0.00 0.00 175.76 176.04 1sgo s TYR 65 N 1.57 3.27 -0.01 0.00 2.02 -0.93 -0.36 117.35 122.92 1sgo s TYR 65 Ca -0.03 0.98 0.08 0.00 -0.37 0.00 0.00 57.07 57.73 1sgo s TYR 65 Cb -0.18 -3.07 -0.02 0.00 -0.40 0.00 0.00 41.96 38.28 1sgo s TYR 65 CO -0.08 -0.44 -0.25 0.42 -1.57 0.00 0.00 175.55 173.62 1sgo s ILE 66 N 2.83 1.98 -0.30 2.71 1.01 0.33 -0.92 121.20 128.84 1sgo s ILE 66 Ca 0.33 -1.12 -0.05 0.00 0.00 0.00 0.00 60.65 59.81 1sgo s ILE 66 Cb -0.15 -1.65 0.03 0.00 0.01 0.00 0.00 42.46 40.70 1sgo s ILE 66 CO 0.09 0.51 0.04 0.20 0.00 0.00 0.00 174.94 175.79 1sgo s ASN 67 N -0.70 4.97 0.01 3.58 0.01 0.58 -0.61 114.94 122.77 1sgo s ASN 67 Ca 0.10 -0.96 0.08 0.00 -0.71 0.00 0.00 52.86 51.36 1sgo s ASN 67 Cb -0.10 -1.80 -0.03 0.00 0.41 0.00 0.00 41.25 39.74 1sgo s ASN 67 CO -0.00 -0.23 -0.23 0.54 -1.51 0.00 0.00 177.10 175.67 1sgo s VAL 68 N 1.39 2.38 -0.23 1.60 0.11 -0.91 -1.35 120.40 123.40 1sgo s VAL 68 Ca -0.01 -1.16 0.02 0.00 -2.93 0.00 0.00 61.98 57.90 1sgo s VAL 68 Cb -0.18 -1.92 0.05 0.00 -1.53 0.00 0.00 36.38 32.80 1sgo s VAL 68 CO 0.00 0.46 -0.10 -0.70 -3.33 0.00 0.00 175.10 171.43 1sgo s GLU 69 N -1.01 2.10 1.16 1.54 2.12 0.52 -1.81 118.70 123.32 1sgo s GLU 69 Ca 0.12 -1.05 -0.13 0.00 0.36 0.00 0.00 54.97 54.27 1sgo s GLU 69 Cb -0.10 -2.63 0.28 0.00 0.26 0.00 0.00 34.13 31.93 1sgo s GLU 69 CO 0.02 -0.49 1.03 0.95 -0.54 0.00 0.00 175.26 176.22 1sgo s THR 70 N 1.28 2.00 -1.96 -1.70 -4.23 -0.99 -0.60 115.64 109.44 1sgo s THR 70 Ca -0.04 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 60.72 1sgo s THR 70 Cb -0.18 -2.13 0.71 0.00 1.34 0.00 0.00 72.50 72.25 1sgo s THR 70 CO -0.07 -0.00 1.89 2.29 -0.54 0.00 0.00 174.62 178.18 1sgo n LYS 71 N -4.86 0.77 0.00 3.99 2.85 -1.26 -0.30 118.16 119.36 1sgo n LYS 71 Ca 0.03 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.43 1sgo n LYS 71 Cb 0.55 -1.50 0.55 0.00 -0.65 0.00 0.00 35.03 33.98 1sgo n LYS 71 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1sgo n GLU 72 N -1.02 0.70 -3.50 -1.58 2.13 -1.26 -4.87 120.64 111.24 1sgo n GLU 72 Ca 0.19 -0.29 -0.20 0.00 0.66 0.00 0.00 57.16 57.52 1sgo n GLU 72 Cb 0.10 -1.49 0.08 0.00 0.27 0.00 0.00 31.44 30.39 1sgo n GLU 72 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1sgo n ARG 73 N -0.90 -7.25 -4.45 5.31 1.74 0.59 -5.02 116.66 106.69 1sgo n ARG 73 Ca 0.14 0.83 -0.34 0.00 -0.77 0.00 0.00 57.85 57.70 1sgo n ARG 73 Cb 0.30 -5.82 -0.12 0.00 -1.02 0.00 0.00 32.46 25.79 1sgo n ARG 73 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1sgo s ASN 74 N -3.79 4.78 -0.17 0.55 3.84 -1.25 -4.91 114.94 113.99 1sgo s ASN 74 Ca 0.31 -0.09 -0.13 0.00 0.21 0.00 0.00 52.86 53.16 1sgo s ASN 74 Cb -0.14 -1.64 -0.05 0.00 -0.55 0.00 0.00 41.25 38.88 1sgo s ASN 74 CO 0.72 0.22 0.26 -0.13 -2.79 0.00 0.00 177.10 175.38 1sgo s ARG 75 N 0.03 4.24 -0.05 0.43 3.00 -1.26 -2.34 118.95 122.99 1sgo s ARG 75 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 55.73 55.77 1sgo s ARG 75 Cb -0.13 -3.43 0.02 0.00 0.00 0.00 0.00 34.95 31.40 1sgo s ARG 75 CO 0.03 0.23 -0.06 0.71 0.00 0.00 0.00 175.30 176.21 1sgo s TYR 76 N 0.51 0.91 -0.32 -0.53 2.02 -0.75 -3.69 117.35 115.48 1sgo s TYR 76 Ca 0.15 -0.28 -0.15 0.00 -0.37 0.00 0.00 57.07 56.42 1sgo s TYR 76 Cb -0.13 -0.76 -0.02 0.00 -0.40 0.00 0.00 41.96 40.65 1sgo s TYR 76 CO 0.03 -0.22 0.35 0.00 -1.57 0.00 0.00 175.55 174.14 1sgo s LEU 78 N 2.00 3.08 -0.54 0.00 1.43 0.22 -1.46 118.68 123.40 1sgo s LEU 78 Ca 0.12 -0.21 -0.17 0.00 -1.03 0.00 0.00 54.13 52.83 1sgo s LEU 78 Cb -0.16 -1.74 0.10 0.00 0.03 0.00 0.00 46.19 44.42 1sgo s LEU 78 CO 0.11 0.14 0.58 -0.70 0.23 0.00 0.00 176.35 176.72 1sgo s GLU 79 N 0.50 3.03 -0.29 1.70 2.12 0.68 -0.51 118.70 125.92 1sgo s GLU 79 Ca -0.05 -1.39 -0.26 0.00 0.36 0.00 0.00 54.97 53.63 1sgo s GLU 79 Cb -0.15 -4.23 0.01 0.00 0.26 0.00 0.00 34.13 30.02 1sgo s GLU 79 CO 0.03 -1.35 0.93 -1.17 -0.54 0.00 0.00 175.26 173.16 1sgo s LEU 80 N 2.17 4.04 0.00 2.70 2.96 0.51 -1.63 118.68 129.44 1sgo s LEU 80 Ca 0.08 0.96 0.00 0.00 -0.22 0.00 0.00 54.13 54.96 1sgo s LEU 80 Cb -0.25 -3.32 -0.00 0.00 0.50 0.00 0.00 46.19 43.12 1sgo s LEU 80 CO 0.06 -0.69 0.02 0.35 -1.32 0.00 0.00 176.35 174.77 1sgo n THR 81 N 5.56 0.00 0.42 3.68 -2.24 0.01 -0.60 114.28 121.12 1sgo n THR 81 Ca 0.08 -0.16 0.12 0.00 -2.27 0.00 0.00 64.05 61.81 1sgo n THR 81 Cb 0.47 0.08 0.48 0.00 -2.10 0.00 0.00 70.33 69.26 1sgo n THR 81 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1sgo n GLU 82 N -0.05 0.19 -0.04 -0.78 0.28 -1.26 -1.55 120.64 117.44 1sgo n GLU 82 Ca 0.00 0.40 0.12 0.00 -0.16 0.00 0.00 57.16 57.52 1sgo n GLU 82 Cb 0.04 -1.85 0.46 0.00 1.43 0.00 0.00 31.44 31.53 1sgo n GLU 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1sgo n ALA 83 N -1.76 2.55 0.00 -1.84 0.00 -1.26 -5.04 120.51 113.16 1sgo n ALA 83 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1sgo n ALA 83 Cb 0.24 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1sgo n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sgo n GLY 84 N 1.15 0.58 3.37 0.00 0.00 -0.59 -4.35 105.19 105.35 1sgo n GLY 84 Ca 0.18 -1.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 1sgo n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sgo s LEU 85 N 0.00 4.58 -0.17 0.99 1.02 0.58 -0.81 118.68 124.86 1sgo s LEU 85 Ca 0.00 -0.95 -0.02 0.00 0.02 0.00 0.00 54.13 53.18 1sgo s LEU 85 Cb 0.00 -2.00 -0.01 0.00 0.02 0.00 0.00 46.19 44.20 1sgo s LEU 85 CO 0.00 -0.35 -0.10 -0.75 0.02 0.00 0.00 176.35 175.17 1sgo s LYS 86 N 1.54 3.35 0.03 1.70 2.36 -0.64 -2.87 119.74 125.21 1sgo s LYS 86 Ca 0.02 -0.67 -0.30 0.00 -2.55 0.00 0.00 55.97 52.47 1sgo s LYS 86 Cb -0.19 -2.80 -0.05 0.00 -1.05 0.00 0.00 37.83 33.74 1sgo s LYS 86 CO 0.06 -0.00 1.26 0.08 1.55 0.00 0.00 175.35 178.29 1sgo s VAL 87 N 0.92 3.94 -0.31 4.02 1.01 -1.26 -0.23 120.40 128.48 1sgo s VAL 87 Ca -0.02 1.36 0.06 0.00 0.00 0.00 0.00 61.98 63.38 1sgo s VAL 87 Cb -0.15 -3.87 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 1sgo s VAL 87 CO -0.00 0.07 0.28 1.33 0.00 0.00 0.00 175.10 176.77 1sgo n VAL 88 N 4.19 0.00 -3.61 2.92 0.24 -0.54 -4.65 118.33 116.88 1sgo n VAL 88 Ca 0.10 -0.36 -0.02 0.00 -2.04 0.00 0.00 64.34 62.02 1sgo n VAL 88 Cb 0.45 1.01 -0.02 0.00 -1.47 0.00 0.00 33.84 33.81 1sgo n VAL 88 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1sgo s GLY 89 N -1.52 -0.32 -0.37 7.63 0.00 -1.11 -0.38 107.32 111.25 1sgo s GLY 89 Ca 0.03 1.41 0.06 0.00 0.00 0.00 0.00 44.72 46.22 1sgo s GLY 89 CO 0.24 0.43 1.66 -1.72 0.00 0.00 0.00 173.10 173.71 1sgo n TYR 90 N -0.20 1.99 -3.75 1.90 4.01 -1.26 -0.95 117.16 118.89 1sgo n TYR 90 Ca -0.01 -1.80 -0.10 0.00 -0.16 0.00 0.00 57.90 55.83 1sgo n TYR 90 Cb 0.59 -0.71 -0.05 0.00 -0.31 0.00 0.00 39.34 38.87 1sgo n TYR 90 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sgo s ALA 91 N -3.31 -0.75 0.01 -0.72 0.00 -1.24 -4.56 121.76 111.18 1sgo s ALA 91 Ca 0.50 -0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.86 1sgo s ALA 91 Cb 0.44 0.81 -0.07 0.00 0.00 0.00 0.00 23.12 24.29 1sgo s ALA 91 CO 0.04 -0.73 1.68 -0.06 0.00 0.00 0.00 175.76 176.69 1sgo s PHE 92 N -3.87 2.13 -1.36 0.00 0.08 -1.26 -2.42 117.98 111.28 1sgo s PHE 92 Ca 0.09 0.20 0.00 0.00 0.12 0.00 0.00 56.93 57.34 1sgo s PHE 92 Cb 0.01 -3.96 0.00 0.00 -0.57 0.00 0.00 43.02 38.49 1sgo s PHE 92 CO -0.05 -3.99 0.00 -0.25 -0.10 0.00 0.00 175.22 170.83 1sgo n ASP 93 N 6.43 -4.51 -4.45 1.36 8.00 -1.26 -4.97 116.55 117.15 1sgo n ASP 93 Ca 0.17 0.20 -0.43 0.00 0.71 0.00 0.00 54.79 55.43 1sgo n ASP 93 Cb 0.42 -3.42 -0.09 0.00 -0.02 0.00 0.00 41.12 38.01 1sgo n ASP 93 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1sgo s GLN 94 N -3.81 3.02 -0.21 -1.24 2.00 -1.02 -4.95 119.66 113.45 1sgo s GLN 94 Ca 0.00 -1.02 0.01 0.00 -2.00 0.00 0.00 55.36 52.36 1sgo s GLN 94 Cb 0.00 -4.02 0.04 0.00 0.80 0.00 0.00 33.01 29.83 1sgo s GLN 94 CO 0.00 -0.88 -0.13 0.08 -0.50 0.00 0.00 175.29 173.86 1sgo s VAL 95 N 1.86 1.88 -0.21 1.34 1.01 -1.26 -2.73 120.40 122.29 1sgo s VAL 95 Ca 0.07 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.92 1sgo s VAL 95 Cb -0.20 -1.89 0.05 0.00 0.00 0.00 0.00 36.38 34.35 1sgo s VAL 95 CO 0.10 0.23 -0.06 -0.62 0.00 0.00 0.00 175.10 174.75 1sgo s ASP 96 N 1.30 3.51 0.00 3.32 2.15 0.49 -4.99 116.67 122.45 1sgo s ASP 96 Ca -0.01 -1.00 0.19 0.00 0.43 0.00 0.00 52.55 52.15 1sgo s ASP 96 Cb -0.16 -1.11 0.81 0.00 -0.30 0.00 0.00 42.92 42.16 1sgo s ASP 96 CO -0.09 -0.21 1.60 -0.67 -0.17 0.00 0.00 175.17 175.63 1sgo n ASP 97 N 4.73 0.00 0.24 -0.34 2.03 -1.26 -1.90 116.55 120.05 1sgo n ASP 97 Ca -0.12 0.47 0.15 0.00 0.52 0.00 0.00 54.79 55.80 1sgo n ASP 97 Cb 0.45 -0.49 0.50 0.00 -0.72 0.00 0.00 41.12 40.87 1sgo n ASP 97 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1sgo h HIS 98 N 0.00 0.00 -2.66 -0.67 3.86 -1.94 -3.40 115.15 110.34 1sgo h HIS 98 Ca 0.00 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.65 1sgo h HIS 98 Cb 0.31 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 1sgo h HIS 98 CO 0.00 0.00 1.17 -0.51 0.86 0.00 0.00 177.93 179.45 1sgo s LEU 99 N -5.93 3.90 -0.58 2.43 1.43 -0.80 -4.89 118.68 114.25 1sgo s LEU 99 Ca 0.04 1.74 0.02 0.00 -1.03 0.00 0.00 54.13 54.90 1sgo s LEU 99 Cb 0.08 -3.53 0.40 0.00 0.03 0.00 0.00 46.19 43.17 1sgo s LEU 99 CO 0.57 -1.30 1.46 0.00 0.23 0.00 0.00 176.35 177.31 1sgo n GLN 100 N 7.75 3.18 -2.13 1.70 10.64 -1.26 -4.94 117.38 132.32 1sgo n GLN 100 Ca 0.20 -4.10 -0.41 0.00 -1.83 0.00 0.00 57.00 50.86 1sgo n GLN 100 Cb 0.45 -2.26 -0.02 0.00 -0.86 0.00 0.00 30.24 27.54 1sgo n GLN 100 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1sgo s THR 101 N -5.29 2.82 0.12 -0.39 -4.23 -1.26 -4.93 115.64 102.48 1sgo s THR 101 Ca 0.50 0.77 -0.34 0.00 -1.18 0.00 0.00 61.69 61.44 1sgo s THR 101 Cb 0.42 -3.49 -0.14 0.00 1.34 0.00 0.00 72.50 70.63 1sgo s THR 101 CO -0.25 0.16 1.56 -2.65 -0.54 0.00 0.00 174.62 172.91 1sgo n PRO 102 N 1.37 1.96 -1.96 3.99 -0.02 -1.26 -4.78 135.00 134.31 1sgo n PRO 102 Ca 0.02 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.79 1sgo n PRO 102 Cb 0.42 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 1sgo n PRO 102 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1sgo s TYR 103 N 1.09 3.05 -0.12 6.00 2.02 -1.26 -4.84 117.35 123.29 1sgo s TYR 103 Ca 0.81 0.75 -0.03 0.00 -0.37 0.00 0.00 57.07 58.23 1sgo s TYR 103 Cb -0.73 -3.89 -0.03 0.00 -0.40 0.00 0.00 41.96 36.91 1sgo s TYR 103 CO 0.41 -3.17 -0.02 -1.01 -1.57 0.00 0.00 175.55 170.18 1sgo s HIS 104 N 0.82 3.08 -0.03 2.71 3.76 -1.14 -4.97 115.29 119.51 1sgo s HIS 104 Ca 0.67 -0.05 -0.22 0.00 -0.15 0.00 0.00 55.06 55.31 1sgo s HIS 104 Cb -0.43 -1.87 -0.28 0.00 1.11 0.00 0.00 32.58 31.11 1sgo s HIS 104 CO 0.35 0.21 0.97 1.49 -0.85 0.00 0.00 174.74 176.91 1sgo h GLU 105 N 5.95 0.31 -6.11 1.40 4.81 -1.88 0.16 114.58 119.23 1sgo h GLU 105 Ca -0.41 -0.43 -0.68 0.00 -0.13 0.00 0.00 59.36 57.71 1sgo h GLU 105 Cb 1.19 0.14 -0.19 0.00 0.63 0.00 0.00 28.75 30.52 1sgo h GLU 105 CO 0.59 1.15 -0.69 0.95 -0.73 0.00 0.00 179.01 180.28 1sgo s THR 106 N -2.76 3.76 0.43 0.32 -4.23 -1.26 -4.50 115.64 107.41 1sgo s THR 106 Ca -0.14 -0.46 0.29 0.00 -1.18 0.00 0.00 61.69 60.21 1sgo s THR 106 Cb 0.02 -2.54 0.32 0.00 1.34 0.00 0.00 72.50 71.63 1sgo s THR 106 CO 0.81 0.60 2.11 1.62 -0.54 0.00 0.00 174.62 179.22 1sgo h VAL 107 N 4.26 0.48 0.59 2.29 3.04 -1.98 -1.98 116.25 122.95 1sgo h VAL 107 Ca -0.49 -0.43 -0.02 0.00 -1.01 0.00 0.00 66.70 64.75 1sgo h VAL 107 Cb 1.17 1.29 -0.01 0.00 -2.01 0.00 0.00 31.29 31.73 1sgo h VAL 107 CO 0.53 0.09 -0.47 1.88 -1.01 0.00 0.00 177.57 178.58 1sgo h TYR 108 N 0.00 -1.28 -0.16 3.17 -1.99 -1.99 0.34 116.97 115.06 1sgo h TYR 108 Ca -0.00 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.60 1sgo h TYR 108 Cb 0.28 0.48 -0.01 0.00 2.00 0.00 0.00 36.73 39.49 1sgo h TYR 108 CO 0.00 -0.66 -0.48 1.03 -0.00 0.00 0.00 178.16 178.06 1sgo h SER 109 N -1.03 0.43 0.57 3.88 0.87 -1.95 -2.44 113.55 113.88 1sgo h SER 109 Ca -0.08 -0.21 -0.03 0.00 -1.23 0.00 0.00 61.79 60.25 1sgo h SER 109 Cb 0.86 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.70 1sgo h SER 109 CO 0.01 0.84 -0.27 0.25 -0.53 0.00 0.00 176.83 177.13 1sgo h LEU 110 N 0.32 -0.64 -1.24 2.23 5.85 -1.26 -2.54 115.31 118.02 1sgo h LEU 110 Ca 0.02 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 1sgo h LEU 110 Cb 0.96 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1sgo h LEU 110 CO 0.08 -0.30 -0.24 0.25 -0.34 0.00 0.00 178.44 177.89 1sgo h LEU 111 N -1.02 0.21 -0.93 2.25 5.85 -0.98 -2.40 115.31 118.28 1sgo h LEU 111 Ca -0.08 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 1sgo h LEU 111 Cb 0.65 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1sgo h LEU 111 CO 0.13 0.46 0.12 -0.78 -0.34 0.00 0.00 178.44 178.03 1sgo h ASP 112 N 0.19 0.85 1.60 1.25 3.58 -1.42 0.19 116.42 122.66 1sgo h ASP 112 Ca 0.03 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.31 1sgo h ASP 112 Cb 0.54 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.37 1sgo h ASP 112 CO 0.04 0.84 0.00 0.00 -2.88 0.00 0.00 179.24 177.24 1sgo h THR 113 N 0.86 0.00 0.08 2.25 1.03 -0.99 -3.08 112.91 113.06 1sgo h THR 113 Ca 0.18 -0.66 -0.19 0.00 -0.01 0.00 0.00 66.41 65.74 1sgo h THR 113 Cb 0.34 1.64 -0.00 0.00 -1.07 0.00 0.00 68.15 69.06 1sgo h THR 113 CO 0.00 0.00 -0.94 -0.07 -0.01 0.00 0.00 175.52 174.50 1sgo h LEU 114 N 0.00 0.25 -7.22 0.00 3.38 -0.96 -3.45 115.31 107.31 1sgo h LEU 114 Ca 0.00 -0.85 -0.46 0.00 0.09 0.00 0.00 57.88 56.66 1sgo h LEU 114 Cb 0.80 -0.08 -0.40 0.00 0.09 0.00 0.00 40.66 41.07 1sgo h LEU 114 CO 0.00 1.41 -0.76 -0.44 0.09 0.00 0.00 178.44 178.74 1sgo s SER 115 N -6.81 2.23 0.00 -0.43 0.01 0.57 -4.99 113.70 104.28 1sgo s SER 115 Ca -0.20 -0.50 0.06 0.00 1.31 0.00 0.00 55.95 56.62 1sgo s SER 115 Cb 0.02 -0.36 0.26 0.00 0.21 0.00 0.00 66.02 66.15 1sgo s SER 115 CO 0.73 -0.30 1.18 -0.81 0.41 0.00 0.00 173.24 174.45 1sgo n PRO 116 N 5.20 0.01 0.00 12.44 -0.04 -1.16 -0.96 135.00 150.47 1sgo n PRO 116 Ca -0.07 0.39 0.09 0.00 -0.04 0.00 0.00 63.50 63.86 1sgo n PRO 116 Cb 0.49 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.91 1sgo n PRO 116 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sgo n ALA 117 N -1.49 1.98 -0.02 0.55 0.00 -1.26 -2.72 120.51 117.55 1sgo n ALA 117 Ca 0.02 -0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 1sgo n ALA 117 Cb 0.07 -1.29 -0.05 0.00 0.00 0.00 0.00 19.45 18.17 1sgo n ALA 117 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1sgo h TYR 118 N 0.00 0.18 0.00 0.00 3.20 -1.29 -2.44 116.97 116.62 1sgo h TYR 118 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1sgo h TYR 118 Cb 0.16 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.38 1sgo h TYR 118 CO 0.00 0.17 0.00 0.54 -1.64 0.00 0.00 178.16 177.23 1sgo n ARG 119 N -4.96 0.01 0.00 1.82 1.74 -1.10 -0.14 116.66 114.03 1sgo n ARG 119 Ca -0.05 0.14 -0.13 0.00 -0.77 0.00 0.00 57.85 57.05 1sgo n ARG 119 Cb 0.06 -1.52 -0.09 0.00 -1.02 0.00 0.00 32.46 29.89 1sgo n ARG 119 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1sgo h GLU 120 N 0.00 -0.00 0.03 5.56 4.39 -1.53 0.11 114.58 123.14 1sgo h GLU 120 Ca 0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 1sgo h GLU 120 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1sgo h GLU 120 CO 0.00 0.36 -1.01 0.00 -1.16 0.00 0.00 179.01 177.20 1sgo h ALA 121 N 0.63 0.30 -0.37 3.43 0.00 -1.24 -3.09 119.26 118.93 1sgo h ALA 121 Ca -0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 54.91 54.08 1sgo h ALA 121 Cb 0.36 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1sgo h ALA 121 CO 0.00 0.85 -0.11 0.35 0.00 0.00 0.00 179.25 180.34 1sgo h PHE 122 N 0.19 0.70 -0.44 0.00 3.57 -0.59 -1.97 116.94 118.41 1sgo h PHE 122 Ca -0.09 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.25 1sgo h PHE 122 Cb 1.67 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 40.21 1sgo h PHE 122 CO 0.06 0.74 0.13 0.78 -2.23 0.00 0.00 178.31 177.79 1sgo h GLY 123 N 0.96 0.69 1.59 2.40 0.00 -0.78 -1.33 103.07 106.60 1sgo h GLY 123 Ca 0.10 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 1sgo h GLY 123 CO 0.03 0.34 -0.14 -0.57 0.00 0.00 0.00 176.54 176.21 1sgo h ASN 124 N 0.64 0.48 0.22 0.19 -0.00 -1.31 -2.59 115.58 113.21 1sgo h ASN 124 Ca 0.15 -0.13 -0.04 0.00 -0.00 0.00 0.00 56.30 56.28 1sgo h ASN 124 Cb 0.20 -0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 38.39 1sgo h ASN 124 CO -0.01 0.65 -0.18 0.00 -0.00 0.00 0.00 177.43 177.88 1sgo h ALA 125 N 1.40 1.60 0.23 1.57 0.00 -0.54 0.19 119.26 123.72 1sgo h ALA 125 Ca 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1sgo h ALA 125 Cb 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1sgo h ALA 125 CO 0.03 0.23 -0.11 -0.07 0.00 0.00 0.00 179.25 179.33 1sgo h LEU 126 N 0.00 -0.26 -0.43 0.00 4.07 -1.17 -3.10 115.31 114.41 1sgo h LEU 126 Ca -0.00 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 57.71 1sgo h LEU 126 Cb 0.35 0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.16 1sgo h LEU 126 CO 0.02 0.16 0.00 0.00 -1.08 0.00 0.00 178.44 177.55 1sgo n LEU 127 N -5.04 0.53 0.31 1.67 -0.00 -1.09 -2.16 117.00 111.22 1sgo n LEU 127 Ca -0.09 0.61 0.20 0.00 -0.00 0.00 0.00 56.01 56.73 1sgo n LEU 127 Cb 0.26 -0.52 1.01 0.00 -0.00 0.00 0.00 43.42 44.17 1sgo n LEU 127 CO 0.29 -0.42 1.11 -0.61 -0.00 0.00 0.00 177.39 177.76 1sgo h GLN 128 N 0.00 0.00 -0.02 1.47 5.75 -0.53 -2.51 115.11 119.27 1sgo h GLN 128 Ca 0.00 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.53 1sgo h GLN 128 Cb 0.40 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.91 1sgo h GLN 128 CO 0.00 0.02 -0.19 0.00 -2.65 0.00 0.00 178.83 176.00 1sgo h ARG 129 N 0.00 -0.29 0.00 1.69 -0.00 -1.52 0.44 114.38 114.70 1sgo h ARG 129 Ca -0.00 0.02 -0.06 0.00 -0.50 0.00 0.00 59.98 59.44 1sgo h ARG 129 Cb 0.16 0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.19 1sgo h ARG 129 CO 0.00 -0.19 -0.30 -0.07 0.00 0.00 0.00 179.97 179.41 1sgo h LEU 130 N -0.30 0.00 0.15 3.04 4.07 -1.69 -1.27 115.31 119.31 1sgo h LEU 130 Ca 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.02 1sgo h LEU 130 Cb 0.39 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.13 1sgo h LEU 130 CO -0.19 0.30 -0.07 -0.08 -1.08 0.00 0.00 178.44 177.32 1sgo h GLU 131 N 0.00 -0.19 0.00 1.13 4.57 -1.21 -3.26 114.58 115.63 1sgo h GLU 131 Ca -0.00 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 1sgo h GLU 131 Cb 0.97 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 1sgo h GLU 131 CO 0.04 0.24 -0.20 0.00 -1.18 0.00 0.00 179.01 177.91 1sgo h ALA 132 N -0.38 1.36 0.00 2.92 0.00 -0.17 -1.71 119.26 121.28 1sgo h ALA 132 Ca -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1sgo h ALA 132 Cb 0.52 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1sgo h ALA 132 CO 0.03 0.25 -0.03 1.25 0.00 0.00 0.00 179.25 180.75 1sgo h LEU 133 N 0.00 0.00 0.00 0.00 5.85 -1.29 0.12 115.31 119.99 1sgo h LEU 133 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1sgo h LEU 133 Cb 0.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1sgo h LEU 133 CO 0.03 0.03 -1.20 0.29 -0.34 0.00 0.00 178.44 177.24 1sgo n LYS 134 N -4.46 0.40 0.02 1.25 5.02 -0.70 -4.37 118.16 115.31 1sgo n LYS 134 Ca -0.03 -0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 56.03 1sgo n LYS 134 Cb 0.12 -1.61 -0.14 0.00 -0.02 0.00 0.00 35.03 33.37 1sgo n LYS 134 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1sgo h ARG 135 N 0.00 0.25 -6.45 1.97 2.43 -0.57 -3.43 114.38 108.57 1sgo h ARG 135 Ca 0.00 -0.42 -0.55 0.00 -0.81 0.00 0.00 59.98 58.20 1sgo h ARG 135 Cb 0.81 0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 30.45 1sgo h ARG 135 CO 0.00 1.20 1.06 0.34 -1.51 0.00 0.00 179.97 181.06 1sgo s ASP 136 N -6.98 6.23 0.43 -3.80 -1.08 0.27 -4.99 116.67 106.74 1sgo s ASP 136 Ca -0.18 0.10 -0.19 0.00 -0.52 0.00 0.00 52.55 51.76 1sgo s ASP 136 Cb 0.03 -2.55 -0.10 0.00 -1.46 0.00 0.00 42.92 38.84 1sgo s ASP 136 CO 0.78 -1.67 0.91 -0.83 0.52 0.00 0.00 175.17 174.89 1sgo s GLY 137 N 3.87 2.31 -0.06 2.66 0.00 -1.26 -4.94 107.32 109.89 1sgo s GLY 137 Ca 0.46 0.28 -0.01 0.00 0.00 0.00 0.00 44.72 45.46 1sgo s GLY 137 CO 0.23 0.54 2.16 0.61 0.00 0.00 0.00 173.10 176.64 1sgo n GLN 138 N -0.78 1.25 0.00 2.90 0.00 -1.26 -5.22 117.38 114.27 1sgo n GLN 138 Ca 0.06 -0.41 0.00 0.00 0.00 0.00 0.00 57.00 56.66 1sgo n GLN 138 Cb 0.54 -1.21 0.00 0.00 0.00 0.00 0.00 30.24 29.56 1sgo n GLN 138 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51