#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 2.78 0.00 2.12 8.01 -1.26 -4.76 118.70 125.59 1sgo s GLU 2 Ca 0.00 -1.66 0.00 0.00 0.01 0.00 0.00 54.97 53.32 1sgo s GLU 2 Cb 0.00 -4.10 0.00 0.00 -4.31 0.00 0.00 34.13 25.72 1sgo s GLU 2 CO 0.00 -1.21 0.00 2.41 0.01 0.00 0.00 175.26 176.47 1sgo n THR 3 N 5.09 0.00 -2.62 3.63 -1.04 -1.26 -5.01 114.28 113.08 1sgo n THR 3 Ca -0.11 -0.03 -0.43 0.00 -2.04 0.00 0.00 64.05 61.44 1sgo n THR 3 Cb 0.41 0.39 -0.02 0.00 -1.82 0.00 0.00 70.33 69.29 1sgo n THR 3 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1sgo s ASP 4 N -1.27 6.64 0.00 8.00 -1.08 -1.26 -4.61 116.67 123.09 1sgo s ASP 4 Ca 0.00 0.48 0.00 0.00 -0.52 0.00 0.00 52.55 52.51 1sgo s ASP 4 Cb 0.00 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 1sgo s ASP 4 CO 0.00 -1.22 0.00 0.00 0.52 0.00 0.00 175.17 174.47 1sgo n ASN 6 N 0.00 -7.75 -3.47 0.00 5.15 -1.26 -4.81 115.26 103.11 1sgo n ASN 6 Ca 0.00 0.99 -0.37 0.00 -0.60 0.00 0.00 54.58 54.60 1sgo n ASN 6 Cb 0.00 -4.81 -0.02 0.00 -0.53 0.00 0.00 39.78 34.42 1sgo n ASN 6 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1sgo n PRO 7 N 0.42 2.63 -1.77 1.20 -0.02 -1.26 -4.84 135.00 131.37 1sgo n PRO 7 Ca 0.03 -2.09 -0.42 0.00 -2.02 0.00 0.00 63.50 59.01 1sgo n PRO 7 Cb 0.22 -2.90 -0.02 0.00 -0.02 0.00 0.00 33.50 30.79 1sgo n PRO 7 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1sgo n MET 8 N 5.21 2.55 -0.19 -0.52 1.56 -1.26 -4.42 117.12 120.05 1sgo n MET 8 Ca 0.57 -2.55 0.05 0.00 -0.27 0.00 0.00 57.70 55.51 1sgo n MET 8 Cb 0.29 -3.27 0.15 0.00 2.15 0.00 0.00 33.22 32.54 1sgo n MET 8 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1sgo n GLU 9 N 6.81 2.88 -4.18 2.12 1.02 -1.26 -5.00 120.64 123.04 1sgo n GLU 9 Ca 0.51 -2.09 -0.29 0.00 -0.02 0.00 0.00 57.16 55.27 1sgo n GLU 9 Cb 0.41 -1.30 -0.08 0.00 -0.02 0.00 0.00 31.44 30.44 1sgo n GLU 9 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1sgo s LEU 10 N -1.17 3.32 -0.25 -4.62 1.43 -1.26 -5.08 118.68 111.04 1sgo s LEU 10 Ca 0.23 -0.30 -0.29 0.00 -1.03 0.00 0.00 54.13 52.74 1sgo s LEU 10 Cb 0.13 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1sgo s LEU 10 CO 0.14 0.14 1.15 -0.94 0.23 0.00 0.00 176.35 177.08 1sgo s SER 11 N -2.52 6.93 -0.07 2.29 1.04 -1.26 -4.90 113.70 115.21 1sgo s SER 11 Ca 0.25 1.32 0.06 0.00 0.48 0.00 0.00 55.95 58.06 1sgo s SER 11 Cb -0.11 -2.54 0.28 0.00 0.10 0.00 0.00 66.02 63.75 1sgo s SER 11 CO 0.17 -0.83 0.99 -0.24 0.98 0.00 0.00 173.24 174.31 1sgo n SER 12 N 6.80 2.43 -0.47 7.02 2.88 -1.26 -3.27 113.62 127.75 1sgo n SER 12 Ca 0.13 -2.26 0.06 0.00 -1.33 0.00 0.00 58.87 55.47 1sgo n SER 12 Cb 0.46 -0.49 0.12 0.00 -0.75 0.00 0.00 64.21 63.55 1sgo n SER 12 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 1sgo n MET 13 N 0.23 0.95 0.10 -1.46 0.00 -1.26 -4.70 117.12 110.98 1sgo n MET 13 Ca 0.10 -2.39 -0.03 0.00 0.00 0.00 0.00 57.70 55.38 1sgo n MET 13 Cb 0.51 -1.15 0.18 0.00 0.00 0.00 0.00 33.22 32.76 1sgo n MET 13 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1sgo h SER 14 N 0.38 0.19 -0.26 3.17 0.87 -1.98 -3.21 113.55 112.70 1sgo h SER 14 Ca -0.03 -0.10 -0.64 0.00 -1.23 0.00 0.00 61.79 59.79 1sgo h SER 14 Cb 1.19 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.08 1sgo h SER 14 CO 0.01 0.69 3.15 0.61 -0.53 0.00 0.00 176.83 180.76 1sgo n GLY 15 N 0.08 4.35 0.77 5.77 0.00 -1.26 -4.63 105.19 110.27 1sgo n GLY 15 Ca -0.02 -1.60 0.02 0.00 0.00 0.00 0.00 46.02 44.42 1sgo n GLY 15 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1sgo n PHE 16 N 3.04 0.45 0.26 1.61 1.16 -1.22 -3.67 117.46 119.09 1sgo n PHE 16 Ca 0.72 -0.16 0.10 0.00 -1.87 0.00 0.00 57.45 56.25 1sgo n PHE 16 Cb 0.30 -0.18 0.68 0.00 -1.61 0.00 0.00 39.48 38.67 1sgo n PHE 16 CO 0.00 0.00 0.00 0.93 -1.87 0.00 0.00 176.76 175.82 1sgo h GLU 17 N 0.89 0.00 -5.41 3.97 5.08 -1.92 -3.37 114.58 113.81 1sgo h GLU 17 Ca 0.00 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.72 1sgo h GLU 17 Cb 0.79 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.89 1sgo h GLU 17 CO 0.10 0.12 0.10 -2.00 -1.00 0.00 0.00 179.01 176.33 1sgo s GLU 18 N -4.45 3.53 0.00 2.33 2.12 -1.24 -4.44 118.70 116.54 1sgo s GLU 18 Ca -0.04 -0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.16 1sgo s GLU 18 Cb 0.14 -3.86 0.00 0.00 0.26 0.00 0.00 34.13 30.68 1sgo s GLU 18 CO 0.62 -0.81 0.00 0.41 -0.54 0.00 0.00 175.26 174.94 1sgo n GLY 19 N 4.82 0.86 3.87 -1.50 0.00 -1.26 -5.10 105.19 106.87 1sgo n GLY 19 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1sgo n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sgo s SER 20 N -0.26 6.67 -0.58 1.61 1.04 -1.26 -5.03 113.70 115.90 1sgo s SER 20 Ca 0.00 0.89 -0.28 0.00 0.48 0.00 0.00 55.95 57.03 1sgo s SER 20 Cb 0.00 -2.21 0.03 0.00 0.10 0.00 0.00 66.02 63.93 1sgo s SER 20 CO 0.00 0.06 1.25 -1.61 0.98 0.00 0.00 173.24 173.92 1sgo s GLU 21 N -2.29 3.46 0.28 4.02 0.41 -1.26 -4.99 118.70 118.34 1sgo s GLU 21 Ca 0.40 0.30 0.10 0.00 -0.41 0.00 0.00 54.97 55.36 1sgo s GLU 21 Cb -0.13 -4.04 -0.05 0.00 -1.78 0.00 0.00 34.13 28.12 1sgo s GLU 21 CO 0.20 -1.75 -0.16 -0.48 -0.49 0.00 0.00 175.26 172.59 1sgo s LEU 22 N 5.23 2.61 -0.75 1.80 0.05 -1.26 -5.09 118.68 121.26 1sgo s LEU 22 Ca 0.45 -1.08 0.01 0.00 0.05 0.00 0.00 54.13 53.56 1sgo s LEU 22 Cb -0.08 -0.98 0.19 0.00 -2.05 0.00 0.00 46.19 43.26 1sgo s LEU 22 CO 0.25 -0.07 0.58 0.54 -0.55 0.00 0.00 176.35 177.10 1sgo s ASN 23 N -3.50 5.35 0.00 1.48 4.22 -1.26 -4.74 114.94 116.50 1sgo s ASN 23 Ca 0.29 -3.54 0.00 0.00 -2.14 0.00 0.00 52.86 47.47 1sgo s ASN 23 Cb -0.02 -1.79 0.00 0.00 1.28 0.00 0.00 41.25 40.72 1sgo s ASN 23 CO 0.14 -0.19 0.03 0.61 -2.04 0.00 0.00 177.10 175.65 1sgo n GLY 24 N 2.50 0.86 3.71 0.45 0.00 -1.26 -5.06 105.19 106.40 1sgo n GLY 24 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1sgo n GLY 24 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sgo s PHE 25 N -0.12 3.67 0.02 1.61 5.36 -1.26 -4.99 117.98 122.27 1sgo s PHE 25 Ca 0.00 1.65 -0.13 0.00 -0.96 0.00 0.00 56.93 57.49 1sgo s PHE 25 Cb 0.00 -3.06 -0.07 0.00 -0.34 0.00 0.00 43.02 39.54 1sgo s PHE 25 CO 0.00 0.03 1.15 1.49 -1.46 0.00 0.00 175.22 176.43 1sgo h GLU 26 N 6.63 -0.45 0.00 10.12 4.81 -2.02 -3.48 114.58 130.18 1sgo h GLU 26 Ca -0.41 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1sgo h GLU 26 Cb 1.22 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1sgo h GLU 26 CO 0.75 -0.30 0.00 0.41 -0.73 0.00 0.00 179.01 179.13 1sgo n GLY 27 N -1.10 1.07 2.89 1.92 0.00 -1.26 -5.11 105.19 103.61 1sgo n GLY 27 Ca -0.06 0.20 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 1sgo n GLY 27 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sgo n THR 28 N 0.00 -9.64 -3.82 2.61 -1.04 -1.26 -5.01 114.28 96.12 1sgo n THR 28 Ca 0.00 1.24 -0.36 0.00 -2.04 0.00 0.00 64.05 62.89 1sgo n THR 28 Cb 0.00 -6.18 -0.06 0.00 -1.82 0.00 0.00 70.33 62.27 1sgo n THR 28 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1sgo s ASP 29 N -1.80 6.45 0.29 8.00 -4.77 -1.26 -5.06 116.67 118.52 1sgo s ASP 29 Ca 0.10 0.52 -0.29 0.00 -3.30 0.00 0.00 52.55 49.58 1sgo s ASP 29 Cb -0.02 -2.08 -0.10 0.00 -1.09 0.00 0.00 42.92 39.63 1sgo s ASP 29 CO 0.68 0.33 1.36 -0.04 0.70 0.00 0.00 175.17 178.19 1sgo s MET 30 N -1.42 4.32 -0.20 2.11 -1.94 -1.26 -5.02 119.30 115.89 1sgo s MET 30 Ca 0.22 2.24 -0.01 0.00 -1.71 0.00 0.00 55.69 56.42 1sgo s MET 30 Cb -0.13 -3.09 0.06 0.00 2.01 0.00 0.00 34.83 33.67 1sgo s MET 30 CO 0.11 -0.29 0.00 0.21 -0.01 0.00 0.00 175.02 175.04 1sgo s LYS 31 N -1.12 1.02 -0.10 2.03 2.47 -1.26 -5.10 119.74 117.68 1sgo s LYS 31 Ca 0.53 -0.60 -0.29 0.00 -1.56 0.00 0.00 55.97 54.05 1sgo s LYS 31 Cb -0.40 -2.24 -0.06 0.00 -1.46 0.00 0.00 37.83 33.67 1sgo s LYS 31 CO 0.48 -0.61 1.97 -0.51 0.16 0.00 0.00 175.35 176.84 1sgo s ASP 32 N 1.70 6.12 0.54 1.43 1.01 -1.26 -4.83 116.67 121.37 1sgo s ASP 32 Ca -0.02 2.20 0.35 0.00 0.71 0.00 0.00 52.55 55.79 1sgo s ASP 32 Cb -0.17 -2.52 1.67 0.00 1.01 0.00 0.00 42.92 42.90 1sgo s ASP 32 CO -0.07 -1.38 2.06 -0.03 0.21 0.00 0.00 175.17 175.96 1sgo h MET 33 N 12.02 0.00 -0.87 8.23 4.05 -1.82 -2.23 114.93 134.31 1sgo h MET 33 Ca -0.43 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 58.99 1sgo h MET 33 Cb 1.22 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.98 1sgo h MET 33 CO 0.96 0.00 0.54 -0.09 0.23 0.00 0.00 176.91 178.55 1sgo h ARG 34 N 0.00 1.17 0.06 0.39 1.12 -1.86 0.12 114.38 115.38 1sgo h ARG 34 Ca 0.00 -0.09 -0.14 0.00 -1.11 0.00 0.00 59.98 58.64 1sgo h ARG 34 Cb 0.29 -0.25 0.01 0.00 -0.01 0.00 0.00 29.97 30.01 1sgo h ARG 34 CO 0.00 0.80 -0.57 -0.07 -3.11 0.00 0.00 179.97 177.03 1sgo h LEU 35 N 1.19 0.39 -1.69 3.80 3.38 -1.80 -2.71 115.31 117.87 1sgo h LEU 35 Ca 0.31 -0.88 0.07 0.00 0.09 0.00 0.00 57.88 57.48 1sgo h LEU 35 Cb -0.08 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1sgo h LEU 35 CO -0.06 1.23 0.33 -0.33 0.09 0.00 0.00 178.44 179.70 1sgo h GLU 36 N -0.40 0.36 -0.01 1.13 4.39 -1.43 0.12 114.58 118.74 1sgo h GLU 36 Ca -0.09 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1sgo h GLU 36 Cb 1.37 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1sgo h GLU 36 CO 0.11 0.24 -0.00 0.00 -1.16 0.00 0.00 179.01 178.20 1sgo h ALA 37 N 1.74 0.01 -0.83 3.43 0.00 -0.71 -1.23 119.26 121.66 1sgo h ALA 37 Ca 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1sgo h ALA 37 Cb 0.39 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1sgo h ALA 37 CO -0.05 -0.32 0.54 1.49 0.00 0.00 0.00 179.25 180.90 1sgo h GLU 38 N -0.30 1.11 -0.54 0.00 4.81 -1.02 -0.68 114.58 117.95 1sgo h GLU 38 Ca 0.00 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1sgo h GLU 38 Cb 0.33 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1sgo h GLU 38 CO 0.00 0.75 0.34 0.00 -0.73 0.00 0.00 179.01 179.37 1sgo h ALA 39 N 1.29 0.69 -0.19 2.92 0.00 -0.66 -1.05 119.26 122.26 1sgo h ALA 39 Ca 0.30 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1sgo h ALA 39 Cb -0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1sgo h ALA 39 CO -0.06 0.16 0.06 0.28 0.00 0.00 0.00 179.25 179.69 1sgo h VAL 40 N 0.73 1.19 -0.71 0.00 2.07 -0.87 -2.38 116.25 116.28 1sgo h VAL 40 Ca 0.20 -0.58 0.07 0.00 0.82 0.00 0.00 66.70 67.21 1sgo h VAL 40 Cb -0.04 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 1sgo h VAL 40 CO -0.04 0.18 0.40 0.58 0.02 0.00 0.00 177.57 178.71 1sgo h VAL 41 N 0.14 0.95 -0.05 2.57 2.07 -0.82 -1.30 116.25 119.81 1sgo h VAL 41 Ca 0.06 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1sgo h VAL 41 Cb 0.23 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1sgo h VAL 41 CO -0.00 0.13 0.00 0.59 0.02 0.00 0.00 177.57 178.31 1sgo n ASN 42 N -4.77 1.03 -0.08 0.57 5.03 -0.43 -2.77 115.26 113.83 1sgo n ASN 42 Ca 0.10 -1.44 -0.23 0.00 0.87 0.00 0.00 54.58 53.88 1sgo n ASN 42 Cb 0.20 -0.03 -0.12 0.00 -1.02 0.00 0.00 39.78 38.81 1sgo n ASN 42 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1sgo n ASP 43 N -0.16 1.98 -1.06 6.41 -0.08 -0.51 -4.44 116.55 118.68 1sgo n ASP 43 Ca 0.19 0.26 0.08 0.00 -1.51 0.00 0.00 54.79 53.81 1sgo n ASP 43 Cb 0.26 -0.83 0.28 0.00 2.34 0.00 0.00 41.12 43.17 1sgo n ASP 43 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1sgo n VAL 44 N -3.95 2.25 0.09 5.18 0.24 -1.07 -4.64 118.33 116.44 1sgo n VAL 44 Ca -0.39 -1.72 0.14 0.00 -2.04 0.00 0.00 64.34 60.33 1sgo n VAL 44 Cb 0.87 -0.19 0.64 0.00 -1.47 0.00 0.00 33.84 33.69 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 2.25 0.06 -0.18 1.34 5.85 -1.73 -0.21 115.31 122.69 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 1.48 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.50 1sgo h LEU 45 CO 0.25 0.04 -0.04 2.22 -0.34 0.00 0.00 178.44 180.57 1sgo n PHE 46 N -4.46 0.00 1.20 1.25 1.16 -1.26 -2.98 117.46 112.37 1sgo n PHE 46 Ca 0.04 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.75 1sgo n PHE 46 Cb 0.35 -0.13 0.27 0.00 -1.61 0.00 0.00 39.48 38.36 1sgo n PHE 46 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1sgo n ALA 47 N -0.94 2.55 -2.30 1.98 0.00 -0.09 -4.86 120.51 116.85 1sgo n ALA 47 Ca 0.18 -0.59 -0.20 0.00 0.00 0.00 0.00 53.44 52.83 1sgo n ALA 47 Cb 0.23 -0.95 -0.08 0.00 0.00 0.00 0.00 19.45 18.64 1sgo n ALA 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1sgo s VAL 48 N -2.02 0.03 -0.04 0.00 -7.23 -1.16 -4.11 120.40 105.87 1sgo s VAL 48 Ca 0.32 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.43 1sgo s VAL 48 Cb 0.20 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.63 1sgo s VAL 48 CO 0.33 0.00 0.30 0.78 -0.31 0.00 0.00 175.10 176.19 1sgo h ASN 49 N 2.09 -0.17 -4.90 4.85 2.35 -0.95 -3.42 115.58 115.43 1sgo h ASN 49 Ca -0.25 0.01 -0.21 0.00 -0.55 0.00 0.00 56.30 55.30 1sgo h ASN 49 Cb 1.23 0.04 -0.20 0.00 0.05 0.00 0.00 38.32 39.45 1sgo h ASN 49 CO 0.37 0.15 -0.71 0.20 -1.65 0.00 0.00 177.43 175.79 1sgo s ASN 50 N -4.44 0.56 -0.20 5.81 0.02 -0.91 -4.99 114.94 110.79 1sgo s ASN 50 Ca -0.03 -0.61 -0.15 0.00 -1.02 0.00 0.00 52.86 51.05 1sgo s ASN 50 Cb 0.00 0.09 0.06 0.00 0.02 0.00 0.00 41.25 41.42 1sgo s ASN 50 CO 0.09 -0.31 0.50 -0.32 0.02 0.00 0.00 177.10 177.08 1sgo s MET 51 N -1.97 0.55 0.15 -0.60 1.75 -1.26 -0.53 119.30 117.39 1sgo s MET 51 Ca -0.09 0.81 -0.23 0.00 -1.25 0.00 0.00 55.69 54.92 1sgo s MET 51 Cb -0.07 0.17 0.07 0.00 2.84 0.00 0.00 34.83 37.84 1sgo s MET 51 CO -0.02 -0.11 0.64 -0.59 -0.65 0.00 0.00 175.02 174.29 1sgo s PHE 52 N 0.82 -0.49 0.20 4.11 -0.71 -0.39 -4.93 117.98 116.58 1sgo s PHE 52 Ca -0.04 0.27 -0.30 0.00 -1.04 0.00 0.00 56.93 55.82 1sgo s PHE 52 Cb -0.05 0.57 -0.09 0.00 -1.21 0.00 0.00 43.02 42.24 1sgo s PHE 52 CO -0.06 -0.85 1.30 0.54 -1.34 0.00 0.00 175.22 174.80 1sgo s VAL 53 N -3.70 3.22 0.14 -2.49 0.11 -1.26 -0.63 120.40 115.78 1sgo s VAL 53 Ca 0.02 1.01 -0.32 0.00 -2.93 0.00 0.00 61.98 59.76 1sgo s VAL 53 Cb -0.01 -3.64 -0.12 0.00 -1.53 0.00 0.00 36.38 31.08 1sgo s VAL 53 CO -0.11 0.15 1.78 -1.20 -3.33 0.00 0.00 175.10 172.39 1sgo n SER 54 N 2.56 3.86 -0.44 3.54 7.64 -0.24 -4.73 113.62 125.80 1sgo n SER 54 Ca 0.06 1.02 0.12 0.00 1.01 0.00 0.00 58.87 61.08 1sgo n SER 54 Cb 0.43 -1.53 0.27 0.00 -1.01 0.00 0.00 64.21 62.37 1sgo n SER 54 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1sgo n LYS 55 N 4.97 1.26 -0.08 1.43 5.02 -1.26 -3.64 118.16 125.87 1sgo n LYS 55 Ca 0.18 -0.89 0.07 0.00 -2.02 0.00 0.00 58.31 55.65 1sgo n LYS 55 Cb 0.35 -1.48 0.10 0.00 -0.02 0.00 0.00 35.03 33.98 1sgo n LYS 55 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1sgo n SER 56 N -0.09 2.48 0.00 4.39 7.64 -1.26 -4.99 113.62 121.78 1sgo n SER 56 Ca 0.13 -1.72 0.00 0.00 1.01 0.00 0.00 58.87 58.29 1sgo n SER 56 Cb 0.41 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 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 0.72 0.00 -4.02 -3.43 4.77 -1.24 -5.00 117.00 108.81 1sgo n LEU 57 Ca 0.10 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.98 1sgo n LEU 57 Cb 0.38 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.42 1sgo n LEU 57 CO 0.09 0.00 0.17 0.00 -1.33 0.00 0.00 177.39 176.32 1sgo s ARG 58 N 2.01 1.65 -0.04 3.23 1.70 -1.26 -5.02 118.95 121.21 1sgo s ARG 58 Ca 0.00 -1.39 -0.02 0.00 -0.47 0.00 0.00 55.73 53.85 1sgo s ARG 58 Cb 0.00 0.46 0.03 0.00 -0.57 0.00 0.00 34.95 34.87 1sgo s ARG 58 CO 0.00 -0.69 0.09 0.00 -1.08 0.00 0.00 175.30 173.62 1sgo n ALA 60 N 4.06 2.21 0.00 0.00 0.00 -0.03 -4.97 120.51 121.78 1sgo n ALA 60 Ca -0.25 -1.77 0.00 0.00 0.00 0.00 0.00 53.44 51.42 1sgo n ALA 60 Cb 0.52 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1sgo n ALA 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sgo n ASP 61 N -0.76 0.00 0.15 0.00 8.00 -1.26 -4.34 116.55 118.34 1sgo n ASP 61 Ca 0.09 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.63 1sgo n ASP 61 Cb 0.48 -0.03 0.06 0.00 -0.02 0.00 0.00 41.12 41.61 1sgo n ASP 61 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1sgo h ASP 62 N 0.00 0.00 -4.53 -2.24 3.58 -1.93 -2.72 116.42 108.58 1sgo h ASP 62 Ca 0.00 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.28 1sgo h ASP 62 Cb 0.00 0.00 -0.23 0.00 1.72 0.00 0.00 39.33 40.82 1sgo h ASP 62 CO 0.00 0.46 -0.56 0.54 -2.88 0.00 0.00 179.24 176.80 1sgo s VAL 63 N -3.02 0.06 -0.07 2.25 0.11 -1.26 -3.95 120.40 114.52 1sgo s VAL 63 Ca 0.04 -0.47 -0.03 0.00 -2.93 0.00 0.00 61.98 58.59 1sgo s VAL 63 Cb 0.08 -0.31 0.04 0.00 -1.53 0.00 0.00 36.38 34.66 1sgo s VAL 63 CO 0.73 -0.26 0.08 0.00 -3.33 0.00 0.00 175.10 172.33 1sgo s ALA 64 N -0.86 0.18 -0.17 1.54 0.00 0.45 -0.85 121.76 122.05 1sgo s ALA 64 Ca -0.09 0.18 -0.22 0.00 0.00 0.00 0.00 51.96 51.83 1sgo s ALA 64 Cb -0.06 -0.72 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 1sgo s ALA 64 CO 0.01 -0.61 0.69 0.71 0.00 0.00 0.00 175.76 176.56 1sgo s TYR 65 N 2.19 3.41 -0.02 0.00 2.02 -1.08 -0.40 117.35 123.47 1sgo s TYR 65 Ca 0.04 1.06 0.06 0.00 -0.37 0.00 0.00 57.07 57.86 1sgo s TYR 65 Cb -0.13 -2.85 -0.01 0.00 -0.40 0.00 0.00 41.96 38.56 1sgo s TYR 65 CO -0.04 -0.15 -0.21 0.42 -1.57 0.00 0.00 175.55 173.99 1sgo s ILE 66 N 1.82 1.69 -0.21 2.71 1.01 0.48 -1.08 121.20 127.62 1sgo s ILE 66 Ca 0.32 -0.90 -0.06 0.00 0.00 0.00 0.00 60.65 60.01 1sgo s ILE 66 Cb -0.16 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.87 1sgo s ILE 66 CO 0.12 0.48 0.02 0.20 0.00 0.00 0.00 174.94 175.76 1sgo s ASN 67 N -0.40 4.99 -0.02 3.58 0.01 0.20 -0.37 114.94 122.93 1sgo s ASN 67 Ca 0.06 -0.16 0.05 0.00 -0.71 0.00 0.00 52.86 52.09 1sgo s ASN 67 Cb -0.09 -1.86 -0.01 0.00 0.41 0.00 0.00 41.25 39.70 1sgo s ASN 67 CO 0.00 0.06 -0.17 0.54 -1.51 0.00 0.00 177.10 176.02 1sgo s VAL 68 N 1.03 1.34 -0.23 1.60 0.11 -0.74 -1.27 120.40 122.24 1sgo s VAL 68 Ca 0.03 -0.71 -0.00 0.00 -2.93 0.00 0.00 61.98 58.36 1sgo s VAL 68 Cb -0.14 -1.13 0.07 0.00 -1.53 0.00 0.00 36.38 33.64 1sgo s VAL 68 CO 0.02 0.38 -0.01 -0.70 -3.33 0.00 0.00 175.10 171.46 1sgo s GLU 69 N -0.27 1.28 1.06 1.54 2.12 0.31 -0.71 118.70 124.04 1sgo s GLU 69 Ca 0.04 -0.88 -0.15 0.00 0.36 0.00 0.00 54.97 54.34 1sgo s GLU 69 Cb -0.08 -2.43 0.22 0.00 0.26 0.00 0.00 34.13 32.10 1sgo s GLU 69 CO 0.00 -0.66 1.11 0.95 -0.54 0.00 0.00 175.26 176.12 1sgo s THR 70 N 1.52 1.88 0.52 -1.70 -4.23 -0.72 -0.70 115.64 112.21 1sgo s THR 70 Ca -0.03 0.00 0.18 0.00 -1.18 0.00 0.00 61.69 60.67 1sgo s THR 70 Cb -0.18 -2.52 0.27 0.00 1.34 0.00 0.00 72.50 71.41 1sgo s THR 70 CO -0.08 0.00 2.14 0.11 -0.54 0.00 0.00 174.62 176.24 1sgo h LYS 71 N -2.10 0.00 -0.07 3.99 1.57 -1.81 0.10 116.57 118.26 1sgo h LYS 71 Ca -0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1sgo h LYS 71 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1sgo h LYS 71 CO 0.51 0.04 0.00 0.39 -0.57 0.00 0.00 179.45 179.82 1sgo n GLU 72 N -4.35 1.21 -1.23 3.15 1.02 -1.26 -4.83 120.64 114.35 1sgo n GLU 72 Ca -0.03 -0.32 -0.08 0.00 -0.02 0.00 0.00 57.16 56.72 1sgo n GLU 72 Cb 0.12 -1.21 -0.03 0.00 -0.02 0.00 0.00 31.44 30.30 1sgo n GLU 72 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1sgo n ARG 73 N -0.37 -0.92 -2.86 3.49 1.74 0.36 -4.97 116.66 113.13 1sgo n ARG 73 Ca 0.10 0.70 -0.42 0.00 -0.77 0.00 0.00 57.85 57.46 1sgo n ARG 73 Cb 0.11 -4.65 -0.04 0.00 -1.02 0.00 0.00 32.46 26.86 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 -2.59 6.67 -0.07 0.55 3.84 -1.26 -4.80 114.94 117.29 1sgo s ASN 74 Ca 0.00 0.61 -0.12 0.00 0.21 0.00 0.00 52.86 53.56 1sgo s ASN 74 Cb 0.00 -2.44 -0.05 0.00 -0.55 0.00 0.00 41.25 38.21 1sgo s ASN 74 CO 0.00 -0.76 0.29 0.00 -2.79 0.00 0.00 177.10 173.84 1sgo s ARG 75 N 3.25 3.78 0.07 0.43 1.70 -1.26 -1.76 118.95 125.16 1sgo s ARG 75 Ca 0.36 0.15 0.05 0.00 -0.47 0.00 0.00 55.73 55.81 1sgo s ARG 75 Cb -0.13 -3.24 -0.03 0.00 -0.57 0.00 0.00 34.95 30.98 1sgo s ARG 75 CO 0.16 0.66 -0.13 0.71 -1.08 0.00 0.00 175.30 175.62 1sgo s TYR 76 N -0.82 1.14 -0.19 5.89 2.02 0.11 -3.80 117.35 121.70 1sgo s TYR 76 Ca 0.19 -0.49 -0.02 0.00 -0.37 0.00 0.00 57.07 56.38 1sgo s TYR 76 Cb -0.14 -0.64 0.00 0.00 -0.40 0.00 0.00 41.96 40.78 1sgo s TYR 76 CO 0.08 0.04 -0.11 0.00 -1.57 0.00 0.00 175.55 173.99 1sgo s LEU 78 N 1.26 3.04 -0.59 0.00 1.43 0.50 -1.06 118.68 123.26 1sgo s LEU 78 Ca 0.03 -0.19 -0.14 0.00 -1.03 0.00 0.00 54.13 52.80 1sgo s LEU 78 Cb -0.14 -1.71 0.15 0.00 0.03 0.00 0.00 46.19 44.52 1sgo s LEU 78 CO -0.05 0.19 0.53 -0.70 0.23 0.00 0.00 176.35 176.55 1sgo s GLU 79 N 0.23 3.02 -0.31 1.70 2.12 0.89 -0.38 118.70 125.96 1sgo s GLU 79 Ca -0.05 -1.91 -0.29 0.00 0.36 0.00 0.00 54.97 53.08 1sgo s GLU 79 Cb -0.14 -4.24 0.01 0.00 0.26 0.00 0.00 34.13 30.01 1sgo s GLU 79 CO 0.04 -1.29 1.15 -1.17 -0.54 0.00 0.00 175.26 173.44 1sgo s LEU 80 N 1.19 3.92 0.00 2.70 2.96 0.47 -2.10 118.68 127.82 1sgo s LEU 80 Ca 0.07 1.10 0.01 0.00 -0.22 0.00 0.00 54.13 55.08 1sgo s LEU 80 Cb -0.25 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 42.90 1sgo s LEU 80 CO -0.00 -0.94 0.02 0.35 -1.32 0.00 0.00 176.35 174.45 1sgo n THR 81 N 5.97 0.00 0.31 3.68 -2.24 0.53 -0.41 114.28 122.12 1sgo n THR 81 Ca 0.13 -0.35 0.19 0.00 -2.27 0.00 0.00 64.05 61.75 1sgo n THR 81 Cb 0.47 0.12 0.91 0.00 -2.10 0.00 0.00 70.33 69.73 1sgo n THR 81 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1sgo h GLU 82 N 0.00 0.00 -0.27 -0.78 4.81 -1.95 -1.23 114.58 115.16 1sgo h GLU 82 Ca -0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1sgo h GLU 82 Cb 0.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1sgo h GLU 82 CO 0.08 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.36 1sgo n ALA 83 N -2.07 2.48 0.00 2.92 0.00 -1.26 -5.05 120.51 117.53 1sgo n ALA 83 Ca -0.01 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1sgo n ALA 83 Cb 0.20 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 1.25 0.29 3.66 0.00 0.00 -0.47 -4.29 105.19 105.64 1sgo n GLY 84 Ca 0.17 -1.80 -0.37 0.00 0.00 0.00 0.00 46.02 44.01 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 4.13 0.01 0.99 1.02 0.69 -0.35 118.68 125.17 1sgo s LEU 85 Ca 0.00 0.32 0.08 0.00 0.02 0.00 0.00 54.13 54.55 1sgo s LEU 85 Cb 0.00 -2.33 -0.02 0.00 0.02 0.00 0.00 46.19 43.86 1sgo s LEU 85 CO 0.00 -0.02 -0.25 -0.75 0.02 0.00 0.00 176.35 175.35 1sgo s LYS 86 N 1.27 1.86 -0.32 1.70 2.20 -0.89 -2.25 119.74 123.31 1sgo s LYS 86 Ca 0.14 -0.97 -0.21 0.00 -0.36 0.00 0.00 55.97 54.56 1sgo s LYS 86 Cb -0.14 -1.90 -0.00 0.00 -1.51 0.00 0.00 37.83 34.27 1sgo s LYS 86 CO 0.07 0.51 0.69 0.08 -0.36 0.00 0.00 175.35 176.34 1sgo s VAL 87 N -0.68 4.87 -1.68 4.02 1.01 -1.26 -0.08 120.40 126.59 1sgo s VAL 87 Ca 0.10 0.90 0.15 0.00 0.00 0.00 0.00 61.98 63.13 1sgo s VAL 87 Cb -0.10 -4.08 0.08 0.00 0.00 0.00 0.00 36.38 32.29 1sgo s VAL 87 CO 0.00 -0.23 0.91 1.33 0.00 0.00 0.00 175.10 177.12 1sgo n VAL 88 N 5.51 0.00 -3.61 2.92 0.24 -0.22 -4.56 118.33 118.60 1sgo n VAL 88 Ca 0.01 -0.45 -0.01 0.00 -2.04 0.00 0.00 64.34 61.85 1sgo n VAL 88 Cb 0.49 1.26 -0.01 0.00 -1.47 0.00 0.00 33.84 34.11 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 -1.40 -0.33 -0.24 7.63 0.00 -1.14 0.22 107.32 112.07 1sgo s GLY 89 Ca 0.16 1.42 0.10 0.00 0.00 0.00 0.00 44.72 46.39 1sgo s GLY 89 CO 0.24 0.42 1.21 1.58 0.00 0.00 0.00 173.10 176.55 1sgo n TYR 90 N -0.22 1.05 -3.48 1.90 4.11 -1.26 -0.43 117.16 118.83 1sgo n TYR 90 Ca -0.02 -1.77 -0.12 0.00 -0.00 0.00 0.00 57.90 56.00 1sgo n TYR 90 Cb 0.60 -0.28 -0.03 0.00 -0.00 0.00 0.00 39.34 39.63 1sgo n TYR 90 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1sgo s ALA 91 N -3.36 -1.42 0.09 -3.48 0.00 -1.25 -4.61 121.76 107.73 1sgo s ALA 91 Ca 0.43 0.35 -0.31 0.00 0.00 0.00 0.00 51.96 52.43 1sgo s ALA 91 Cb 0.39 0.83 -0.06 0.00 0.00 0.00 0.00 23.12 24.28 1sgo s ALA 91 CO -0.03 -0.73 1.25 -0.06 0.00 0.00 0.00 175.76 176.18 1sgo s PHE 92 N -3.75 3.39 -1.09 0.00 0.08 -1.26 -2.53 117.98 112.81 1sgo s PHE 92 Ca 0.01 1.23 0.00 0.00 0.12 0.00 0.00 56.93 58.29 1sgo s PHE 92 Cb -0.00 -3.49 0.00 0.00 -0.57 0.00 0.00 43.02 38.96 1sgo s PHE 92 CO -0.13 -1.55 0.00 -3.47 -0.10 0.00 0.00 175.22 169.97 1sgo n ASP 93 N 3.78 -4.18 -4.20 1.36 2.03 -1.26 -4.98 116.55 109.09 1sgo n ASP 93 Ca 0.09 0.23 -0.37 0.00 0.52 0.00 0.00 54.79 55.26 1sgo n ASP 93 Cb 0.45 -2.69 -0.12 0.00 -0.72 0.00 0.00 41.12 38.04 1sgo n ASP 93 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1sgo s GLN 94 N -3.06 2.38 -0.11 -0.67 0.74 -1.05 -5.07 119.66 112.82 1sgo s GLN 94 Ca 0.00 -1.46 -0.01 0.00 0.05 0.00 0.00 55.36 53.94 1sgo s GLN 94 Cb 0.00 -3.50 0.03 0.00 1.10 0.00 0.00 33.01 30.64 1sgo s GLN 94 CO 0.00 -0.85 -0.02 0.08 -0.55 0.00 0.00 175.29 173.95 1sgo s VAL 95 N 1.29 0.68 -0.24 1.34 1.01 -1.25 -3.49 120.40 119.74 1sgo s VAL 95 Ca 0.02 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 61.75 1sgo s VAL 95 Cb -0.21 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 1sgo s VAL 95 CO -0.00 0.22 0.04 -0.62 0.00 0.00 0.00 175.10 174.74 1sgo s ASP 96 N 1.84 4.98 0.33 3.32 -1.08 0.13 -5.00 116.67 121.18 1sgo s ASP 96 Ca 0.04 -0.23 0.10 0.00 -0.52 0.00 0.00 52.55 51.94 1sgo s ASP 96 Cb -0.13 -1.88 0.58 0.00 -1.46 0.00 0.00 42.92 40.02 1sgo s ASP 96 CO -0.07 -0.01 1.75 -0.78 0.52 0.00 0.00 175.17 176.58 1sgo h ASP 97 N 8.08 0.10 -0.70 -0.34 3.58 -1.98 -3.15 116.42 122.02 1sgo h ASP 97 Ca -0.38 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.02 1sgo h ASP 97 Cb 1.17 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.19 1sgo h ASP 97 CO 0.59 0.51 0.00 0.00 -2.88 0.00 0.00 179.24 177.45 1sgo n HIS 98 N -4.04 0.93 -1.90 0.28 1.44 -1.26 -4.91 115.22 105.76 1sgo n HIS 98 Ca -0.02 -0.49 -0.42 0.00 -2.01 0.00 0.00 57.72 54.78 1sgo n HIS 98 Cb 0.45 -0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.53 1sgo n HIS 98 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1sgo s LEU 99 N -1.01 4.09 -0.96 2.39 1.43 -1.19 -4.92 118.68 118.50 1sgo s LEU 99 Ca 0.47 2.10 -0.19 0.00 -1.03 0.00 0.00 54.13 55.48 1sgo s LEU 99 Cb 0.25 -3.53 0.12 0.00 0.03 0.00 0.00 46.19 43.06 1sgo s LEU 99 CO 0.32 -1.22 1.20 -1.58 0.23 0.00 0.00 176.35 175.31 1sgo s GLN 100 N 4.69 3.63 0.25 1.70 0.74 -1.26 -4.89 119.66 124.51 1sgo s GLN 100 Ca 0.81 -1.70 0.08 0.00 0.05 0.00 0.00 55.36 54.59 1sgo s GLN 100 Cb -0.33 -5.00 -0.04 0.00 1.10 0.00 0.00 33.01 28.74 1sgo s GLN 100 CO 0.33 -1.85 0.12 0.95 -0.55 0.00 0.00 175.29 174.29 1sgo s THR 101 N 3.02 4.10 -0.50 -0.34 -4.23 -1.26 -5.04 115.64 111.39 1sgo s THR 101 Ca 0.36 -1.54 -0.27 0.00 -1.18 0.00 0.00 61.69 59.06 1sgo s THR 101 Cb -0.04 -3.20 -0.03 0.00 1.34 0.00 0.00 72.50 70.57 1sgo s THR 101 CO -0.09 -0.33 2.01 -2.84 -0.54 0.00 0.00 174.62 172.83 1sgo s PRO 102 N -3.69 2.66 0.03 3.99 0.02 -1.26 -4.79 135.00 131.97 1sgo s PRO 102 Ca 0.32 1.06 -0.30 0.00 0.02 0.00 0.00 61.00 62.10 1sgo s PRO 102 Cb -0.08 -4.40 -0.08 0.00 0.02 0.00 0.00 34.50 29.97 1sgo s PRO 102 CO 0.23 -2.66 1.76 0.71 -0.33 0.00 0.00 177.00 176.71 1sgo s TYR 103 N 9.40 1.94 -0.07 6.54 2.02 -1.26 -4.81 117.35 131.11 1sgo s TYR 103 Ca 0.79 0.02 0.04 0.00 -0.37 0.00 0.00 57.07 57.55 1sgo s TYR 103 Cb -0.17 -4.06 0.00 0.00 -0.40 0.00 0.00 41.96 37.33 1sgo s TYR 103 CO 0.25 -4.48 -0.20 -1.01 -1.57 0.00 0.00 175.55 168.55 1sgo s HIS 104 N 3.55 2.11 -0.99 2.71 3.76 -0.95 -4.92 115.29 120.56 1sgo s HIS 104 Ca 0.79 -0.75 0.25 0.00 -0.15 0.00 0.00 55.06 55.19 1sgo s HIS 104 Cb -0.40 -1.43 1.06 0.00 1.11 0.00 0.00 32.58 32.93 1sgo s HIS 104 CO 0.35 -0.29 1.80 -0.85 -0.85 0.00 0.00 174.74 174.90 1sgo n GLU 105 N 3.39 0.01 -4.63 1.40 -0.00 -1.26 -0.23 120.64 119.32 1sgo n GLU 105 Ca -0.19 0.07 -0.23 0.00 -0.00 0.00 0.00 57.16 56.81 1sgo n GLU 105 Cb 0.53 -1.51 -0.14 0.00 -0.00 0.00 0.00 31.44 30.31 1sgo n GLU 105 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1sgo s THR 106 N -3.01 1.35 0.45 3.84 -4.23 -1.26 -4.78 115.64 108.01 1sgo s THR 106 Ca 0.12 -0.92 0.20 0.00 -1.18 0.00 0.00 61.69 59.91 1sgo s THR 106 Cb 0.16 -1.17 0.23 0.00 1.34 0.00 0.00 72.50 73.07 1sgo s THR 106 CO 0.46 0.23 2.04 1.62 -0.54 0.00 0.00 174.62 178.43 1sgo h VAL 107 N 4.57 0.91 -0.06 2.29 3.04 -1.99 -2.72 116.25 122.28 1sgo h VAL 107 Ca -0.38 -0.53 -0.01 0.00 -1.01 0.00 0.00 66.70 64.77 1sgo h VAL 107 Cb 1.16 1.30 -0.00 0.00 -2.01 0.00 0.00 31.29 31.74 1sgo h VAL 107 CO 0.46 0.14 0.02 1.88 -1.01 0.00 0.00 177.57 179.06 1sgo h TYR 108 N 0.00 0.11 -0.41 3.17 0.05 -1.96 0.13 116.97 118.05 1sgo h TYR 108 Ca -0.00 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 1sgo h TYR 108 Cb 0.29 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 1sgo h TYR 108 CO 0.00 0.29 0.18 1.03 -1.05 0.00 0.00 178.16 178.61 1sgo h SER 109 N -0.11 0.52 0.11 3.88 0.87 -1.90 -1.96 113.55 114.96 1sgo h SER 109 Ca 0.02 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1sgo h SER 109 Cb 0.24 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1sgo h SER 109 CO 0.00 0.46 -0.05 0.25 -0.53 0.00 0.00 176.83 176.96 1sgo h LEU 110 N 0.58 -0.12 -1.88 2.23 5.85 -1.18 -3.20 115.31 117.58 1sgo h LEU 110 Ca 0.14 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 1sgo h LEU 110 Cb 0.09 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 1sgo h LEU 110 CO -0.02 0.51 -0.11 0.25 -0.34 0.00 0.00 178.44 178.73 1sgo h LEU 111 N -0.94 0.00 -0.65 2.25 5.85 -0.73 -1.69 115.31 119.40 1sgo h LEU 111 Ca -0.01 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 1sgo h LEU 111 Cb 0.49 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1sgo h LEU 111 CO 0.02 0.11 -0.15 -0.78 -0.34 0.00 0.00 178.44 177.31 1sgo h ASP 112 N 0.00 0.91 0.47 1.25 3.58 -1.45 0.15 116.42 121.33 1sgo h ASP 112 Ca -0.00 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 57.14 1sgo h ASP 112 Cb 0.22 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.02 1sgo h ASP 112 CO 0.01 1.05 0.00 0.35 -2.88 0.00 0.00 179.24 177.78 1sgo n THR 113 N -4.14 0.19 -0.03 2.25 -2.24 -0.64 -4.04 114.28 105.63 1sgo n THR 113 Ca 0.01 0.05 -0.07 0.00 -2.27 0.00 0.00 64.05 61.77 1sgo n THR 113 Cb 0.41 -0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 67.98 1sgo n THR 113 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1sgo n LEU 114 N -1.28 0.67 -3.97 3.22 4.77 -0.96 -5.04 117.00 114.41 1sgo n LEU 114 Ca 0.12 0.07 -0.26 0.00 -0.03 0.00 0.00 56.01 55.91 1sgo n LEU 114 Cb 0.20 -0.19 -0.17 0.00 -2.33 0.00 0.00 43.42 40.93 1sgo n LEU 114 CO 0.19 0.17 -0.45 -0.44 -1.33 0.00 0.00 177.39 175.53 1sgo s SER 115 N -5.48 2.00 0.35 -1.43 0.01 0.00 -4.99 113.70 104.16 1sgo s SER 115 Ca -0.09 -0.31 0.27 0.00 1.31 0.00 0.00 55.95 57.13 1sgo s SER 115 Cb 0.03 -0.85 1.15 0.00 0.21 0.00 0.00 66.02 66.57 1sgo s SER 115 CO 0.11 -0.04 1.80 1.55 0.41 0.00 0.00 173.24 177.07 1sgo h PRO 116 N 7.59 0.00 0.00 12.44 0.13 -1.84 -2.44 132.00 147.89 1sgo h PRO 116 Ca -0.31 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.80 1sgo h PRO 116 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1sgo h PRO 116 CO 0.45 0.00 -0.10 0.00 -0.23 0.00 0.00 178.00 178.11 1sgo h ALA 117 N 2.17 1.27 0.09 -0.56 0.00 -1.93 -1.67 119.26 118.63 1sgo h ALA 117 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1sgo h ALA 117 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1sgo h ALA 117 CO 0.00 0.13 -0.04 -0.92 0.00 0.00 0.00 179.25 178.42 1sgo h TYR 118 N 0.00 -0.12 -0.12 0.00 3.20 -1.58 -1.93 116.97 116.42 1sgo h TYR 118 Ca -0.00 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 1sgo h TYR 118 Cb 0.32 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1sgo h TYR 118 CO 0.00 -0.05 -0.26 0.00 -1.64 0.00 0.00 178.16 176.21 1sgo h ARG 119 N -0.15 0.22 -0.19 1.82 3.08 -1.51 0.30 114.38 117.95 1sgo h ARG 119 Ca -0.01 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 59.98 1sgo h ARG 119 Cb 0.12 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1sgo h ARG 119 CO 0.02 0.47 0.09 1.49 -1.07 0.00 0.00 179.97 180.98 1sgo h GLU 120 N 0.20 0.19 0.17 0.04 4.81 -1.08 0.65 114.58 119.55 1sgo h GLU 120 Ca 0.03 -0.01 -0.24 0.00 -0.13 0.00 0.00 59.36 59.01 1sgo h GLU 120 Cb 0.58 -0.04 0.02 0.00 0.63 0.00 0.00 28.75 29.94 1sgo h GLU 120 CO 0.04 0.13 -1.07 0.00 -0.73 0.00 0.00 179.01 177.37 1sgo h ALA 121 N 1.10 -0.07 -0.25 2.92 0.00 -1.03 -2.92 119.26 119.01 1sgo h ALA 121 Ca 0.08 -0.80 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 1sgo h ALA 121 Cb 0.02 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1sgo h ALA 121 CO -0.06 0.53 0.11 0.35 0.00 0.00 0.00 179.25 180.18 1sgo h PHE 122 N -0.23 0.37 -0.58 0.00 3.57 -0.42 -0.50 116.94 119.15 1sgo h PHE 122 Ca -0.20 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.23 1sgo h PHE 122 Cb 1.79 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 40.39 1sgo h PHE 122 CO 0.17 0.37 0.14 0.78 -2.23 0.00 0.00 178.31 177.54 1sgo h GLY 123 N 0.27 0.96 0.97 2.40 0.00 -1.01 -2.22 103.07 104.44 1sgo h GLY 123 Ca 0.09 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 1sgo h GLY 123 CO -0.01 0.53 0.22 -0.57 0.00 0.00 0.00 176.54 176.71 1sgo h ASN 124 N 0.86 0.68 -0.87 0.19 -0.73 -1.26 -1.27 115.58 113.18 1sgo h ASN 124 Ca 0.19 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.21 1sgo h ASN 124 Cb 0.32 -0.18 -0.04 0.00 0.27 0.00 0.00 38.32 38.69 1sgo h ASN 124 CO -0.00 0.64 0.55 0.00 -0.37 0.00 0.00 177.43 178.25 1sgo h ALA 125 N 1.07 1.10 -0.41 1.57 0.00 -0.77 0.23 119.26 122.05 1sgo h ALA 125 Ca 0.17 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1sgo h ALA 125 Cb 0.16 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1sgo h ALA 125 CO -0.02 0.53 -0.24 -0.07 0.00 0.00 0.00 179.25 179.46 1sgo h LEU 126 N 1.18 0.92 -0.40 0.00 -0.00 -1.07 0.20 115.31 116.13 1sgo h LEU 126 Ca 0.31 -0.42 -0.18 0.00 -0.00 0.00 0.00 57.88 57.60 1sgo h LEU 126 Cb -0.09 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 40.30 1sgo h LEU 126 CO -0.06 1.14 -0.79 0.17 -0.00 0.00 0.00 178.44 178.90 1sgo h LEU 127 N 0.71 0.27 -0.50 1.67 8.10 -0.97 -3.03 115.31 121.55 1sgo h LEU 127 Ca 0.09 -0.20 -0.16 0.00 0.11 0.00 0.00 57.88 57.73 1sgo h LEU 127 Cb 0.81 -0.08 -0.01 0.00 -0.44 0.00 0.00 40.66 40.94 1sgo h LEU 127 CO 0.07 0.95 -0.46 -0.61 -4.11 0.00 0.00 178.44 174.28 1sgo h GLN 128 N 0.14 0.71 -0.94 0.17 5.75 -0.45 0.12 115.11 120.60 1sgo h GLN 128 Ca -0.03 -0.40 0.14 0.00 -0.15 0.00 0.00 58.65 58.21 1sgo h GLN 128 Cb 1.37 0.03 -0.08 0.00 1.07 0.00 0.00 27.48 29.87 1sgo h GLN 128 CO 0.12 1.02 0.60 -0.09 -2.65 0.00 0.00 178.83 177.83 1sgo h ARG 129 N 0.56 0.80 0.16 1.69 9.65 -0.50 0.18 114.38 126.92 1sgo h ARG 129 Ca 0.03 -0.05 -0.35 0.00 -1.10 0.00 0.00 59.98 58.52 1sgo h ARG 129 Cb 1.01 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.41 1sgo h ARG 129 CO 0.10 0.53 -1.78 1.25 2.80 0.00 0.00 179.97 182.86 1sgo h LEU 130 N 0.83 0.53 -0.67 3.80 5.85 -1.41 -3.31 115.31 120.92 1sgo h LEU 130 Ca 0.48 -0.93 -0.10 0.00 0.84 0.00 0.00 57.88 58.16 1sgo h LEU 130 Cb 0.63 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1sgo h LEU 130 CO -0.24 1.79 -0.09 -0.08 -0.34 0.00 0.00 178.44 179.48 1sgo h GLU 131 N 0.04 0.93 -0.22 1.25 4.81 -0.53 -0.08 114.58 120.78 1sgo h GLU 131 Ca -0.36 -0.32 -0.03 0.00 -0.13 0.00 0.00 59.36 58.51 1sgo h GLU 131 Cb 2.03 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 31.33 1sgo h GLU 131 CO 0.13 0.98 0.01 0.00 -0.73 0.00 0.00 179.01 179.40 1sgo h ALA 132 N 1.05 1.60 0.00 2.92 0.00 -0.83 -0.08 119.26 123.92 1sgo h ALA 132 Ca 0.14 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1sgo h ALA 132 Cb 0.62 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1sgo h ALA 132 CO 0.04 0.30 -0.62 1.25 0.00 0.00 0.00 179.25 180.22 1sgo h LEU 133 N 0.32 0.00 -0.60 0.00 6.46 -1.43 -2.88 115.31 117.18 1sgo h LEU 133 Ca 0.08 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.76 1sgo h LEU 133 Cb 0.21 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 1sgo h LEU 133 CO 0.00 0.62 -0.34 0.50 -0.62 0.00 0.00 178.44 178.61 1sgo h LYS 134 N 0.00 0.00 -0.00 1.25 3.64 0.33 -2.62 116.57 119.17 1sgo h LYS 134 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1sgo h LYS 134 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1sgo h LYS 134 CO 0.08 0.34 -0.08 0.54 -2.27 0.00 0.00 179.45 178.06 1sgo n ARG 135 N -3.33 0.42 -3.55 1.90 1.74 -0.18 -4.85 116.66 108.80 1sgo n ARG 135 Ca 0.01 -0.09 -0.29 0.00 -0.77 0.00 0.00 57.85 56.72 1sgo n ARG 135 Cb 0.56 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 1sgo n ARG 135 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1sgo s ASP 136 N -2.64 6.43 0.00 0.55 -1.08 -0.99 -4.89 116.67 114.05 1sgo s ASP 136 Ca 0.25 0.56 0.00 0.00 -0.52 0.00 0.00 52.55 52.84 1sgo s ASP 136 Cb 0.20 -2.08 0.00 0.00 -1.46 0.00 0.00 42.92 39.58 1sgo s ASP 136 CO 0.50 -0.08 0.00 0.61 0.52 0.00 0.00 175.17 176.72 1sgo n GLY 137 N -0.61 0.35 2.77 2.66 0.00 -1.26 -4.89 105.19 104.21 1sgo n GLY 137 Ca -0.03 -1.53 -0.17 0.00 0.00 0.00 0.00 46.02 44.29 1sgo n GLY 137 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sgo s GLN 138 N 0.00 0.39 0.00 1.61 -0.44 -1.26 -5.24 119.66 114.71 1sgo s GLN 138 Ca 0.00 -0.25 0.08 0.00 -2.50 0.00 0.00 55.36 52.69 1sgo s GLN 138 Cb 0.00 -0.64 0.06 0.00 -1.64 0.00 0.00 33.01 30.79 1sgo s GLN 138 CO 0.00 -1.06 0.75 0.43 0.50 0.00 0.00 175.29 175.91