#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 3.47 -0.75 2.12 2.02 -1.26 -4.83 118.70 119.47 1sgo s GLU 2 Ca 0.00 -0.92 -0.02 0.00 0.02 0.00 0.00 54.97 54.05 1sgo s GLU 2 Cb 0.00 -4.99 0.40 0.00 0.10 0.00 0.00 34.13 29.64 1sgo s GLU 2 CO 0.00 -2.16 2.04 -2.37 0.02 0.00 0.00 175.26 172.79 1sgo n THR 3 N 6.65 3.61 -1.99 3.63 5.66 -1.26 -4.87 114.28 125.71 1sgo n THR 3 Ca 0.24 -3.56 -0.02 0.00 -3.05 0.00 0.00 64.05 57.65 1sgo n THR 3 Cb 0.50 -1.20 -0.02 0.00 -1.55 0.00 0.00 70.33 68.06 1sgo n THR 3 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1sgo n ASP 4 N -0.73 -2.01 -4.71 1.09 2.03 -1.26 -4.98 116.55 105.99 1sgo n ASP 4 Ca 0.59 0.75 -0.41 0.00 0.52 0.00 0.00 54.79 56.23 1sgo n ASP 4 Cb 0.46 -3.20 -0.03 0.00 -0.72 0.00 0.00 41.12 37.63 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 0.97 4.84 -0.59 0.00 4.22 -1.26 -4.84 114.94 118.28 1sgo s ASN 6 Ca 0.47 2.31 -0.27 0.00 -2.14 0.00 0.00 52.86 53.24 1sgo s ASN 6 Cb -0.20 -2.59 -0.10 0.00 1.28 0.00 0.00 41.25 39.65 1sgo s ASN 6 CO 0.24 -1.82 2.47 -2.65 -2.04 0.00 0.00 177.10 173.30 1sgo n PRO 7 N -2.11 0.83 -3.04 3.55 -0.02 -1.26 -4.90 135.00 128.05 1sgo n PRO 7 Ca 0.13 -0.01 -0.44 0.00 -2.02 0.00 0.00 63.50 61.17 1sgo n PRO 7 Cb 0.50 -3.06 -0.05 0.00 -0.02 0.00 0.00 33.50 30.87 1sgo n PRO 7 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1sgo s MET 8 N 8.43 3.11 0.41 -0.52 1.75 -1.26 -5.04 119.30 126.18 1sgo s MET 8 Ca 1.06 -0.97 0.03 0.00 -1.25 0.00 0.00 55.69 54.56 1sgo s MET 8 Cb -0.39 -4.18 -0.00 0.00 2.84 0.00 0.00 34.83 33.09 1sgo s MET 8 CO 0.31 -1.50 0.59 -1.21 -0.65 0.00 0.00 175.02 172.56 1sgo s GLU 9 N 3.09 3.02 -0.40 4.11 0.41 -1.26 -5.03 118.70 122.65 1sgo s GLU 9 Ca 0.17 -0.77 -0.29 0.00 -0.41 0.00 0.00 54.97 53.66 1sgo s GLU 9 Cb -0.20 -2.67 0.01 0.00 -1.78 0.00 0.00 34.13 29.49 1sgo s GLU 9 CO 0.10 -0.18 1.34 -0.51 -0.49 0.00 0.00 175.26 175.52 1sgo s LEU 10 N -4.41 3.66 0.20 1.80 1.02 -1.26 -4.95 118.68 114.75 1sgo s LEU 10 Ca 0.48 0.85 -0.22 0.00 0.02 0.00 0.00 54.13 55.27 1sgo s LEU 10 Cb -0.10 -3.54 0.05 0.00 0.02 0.00 0.00 46.19 42.62 1sgo s LEU 10 CO 0.35 -1.32 0.62 -0.94 0.02 0.00 0.00 176.35 175.08 1sgo s SER 11 N 3.40 -0.43 0.23 2.29 1.04 -1.26 -5.14 113.70 113.83 1sgo s SER 11 Ca 0.58 -0.26 -0.30 0.00 0.48 0.00 0.00 55.95 56.45 1sgo s SER 11 Cb -0.13 0.64 -0.09 0.00 0.10 0.00 0.00 66.02 66.54 1sgo s SER 11 CO 0.30 -1.10 1.20 -0.94 0.98 0.00 0.00 173.24 173.69 1sgo s SER 12 N -2.82 7.06 0.52 7.02 1.04 -1.26 -5.03 113.70 120.22 1sgo s SER 12 Ca 0.05 2.33 0.01 0.00 0.48 0.00 0.00 55.95 58.82 1sgo s SER 12 Cb -0.03 -2.62 -0.01 0.00 0.10 0.00 0.00 66.02 63.47 1sgo s SER 12 CO -0.05 -0.36 0.00 0.00 0.98 0.00 0.00 173.24 173.81 1sgo s MET 13 N -0.73 2.21 0.06 4.02 0.23 -1.26 -5.16 119.30 118.66 1sgo s MET 13 Ca 0.51 -2.42 0.03 0.00 -1.03 0.00 0.00 55.69 52.77 1sgo s MET 13 Cb -0.34 -1.52 -0.03 0.00 -1.53 0.00 0.00 34.83 31.41 1sgo s MET 13 CO 0.40 -0.38 -0.09 0.45 -2.03 0.00 0.00 175.02 173.37 1sgo s SER 14 N -3.89 1.05 0.05 -1.18 0.15 -1.26 -5.03 113.70 103.60 1sgo s SER 14 Ca 0.04 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.07 1sgo s SER 14 Cb 0.01 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 1sgo s SER 14 CO 0.02 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1sgo n GLY 15 N 1.25 -1.89 2.14 9.45 0.00 -1.26 -4.99 105.19 109.88 1sgo n GLY 15 Ca -0.21 0.52 0.02 0.00 0.00 0.00 0.00 46.02 46.34 1sgo n GLY 15 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sgo n PHE 16 N -2.38 0.58 -2.81 1.61 3.72 -1.26 -5.06 117.46 111.85 1sgo n PHE 16 Ca 0.00 -1.28 -0.43 0.00 -0.05 0.00 0.00 57.45 55.69 1sgo n PHE 16 Cb 0.00 -0.17 -0.03 0.00 -0.94 0.00 0.00 39.48 38.34 1sgo n PHE 16 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1sgo s GLU 17 N -1.79 3.33 -0.01 -1.08 0.41 -1.26 -4.65 118.70 113.65 1sgo s GLU 17 Ca 0.30 -1.10 0.02 0.00 -0.41 0.00 0.00 54.97 53.78 1sgo s GLU 17 Cb 0.35 -4.58 -0.03 0.00 -1.78 0.00 0.00 34.13 28.09 1sgo s GLU 17 CO -0.11 -1.89 0.04 0.39 -0.49 0.00 0.00 175.26 173.21 1sgo n GLU 18 N 7.66 0.65 0.00 1.61 1.02 -1.26 -5.04 120.64 125.28 1sgo n GLU 18 Ca 0.10 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1sgo n GLU 18 Cb 0.48 -1.05 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 1sgo n GLU 18 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sgo n GLY 19 N 2.47 2.02 0.00 0.62 0.00 -1.26 -4.91 105.19 104.13 1sgo n GLY 19 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 3.38 0.00 -4.70 1.61 7.64 -1.26 -4.99 113.62 115.30 1sgo n SER 20 Ca 0.00 -0.29 -0.44 0.00 1.01 0.00 0.00 58.87 59.16 1sgo n SER 20 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1sgo n SER 20 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1sgo n GLU 21 N -0.29 2.43 -2.25 1.43 4.71 -1.26 -4.90 120.64 120.51 1sgo n GLU 21 Ca 0.00 0.87 -0.43 0.00 -0.01 0.00 0.00 57.16 57.59 1sgo n GLU 21 Cb 0.00 -2.64 -0.02 0.00 -1.01 0.00 0.00 31.44 27.77 1sgo n GLU 21 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1sgo s LEU 22 N 0.48 4.06 0.35 -4.62 1.02 -1.26 -4.72 118.68 113.99 1sgo s LEU 22 Ca 0.72 1.67 0.00 0.00 0.02 0.00 0.00 54.13 56.54 1sgo s LEU 22 Cb -0.58 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.09 1sgo s LEU 22 CO 0.41 -1.01 0.00 -3.20 0.02 0.00 0.00 176.35 172.57 1sgo n ASN 23 N 7.48 -4.86 -4.59 2.29 5.15 -1.26 -4.74 115.26 114.73 1sgo n ASN 23 Ca 0.16 1.05 -0.42 0.00 -0.60 0.00 0.00 54.58 54.77 1sgo n ASN 23 Cb 0.45 -2.60 -0.02 0.00 -0.53 0.00 0.00 39.78 37.07 1sgo n ASN 23 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1sgo s GLY 24 N -4.66 0.88 0.32 8.20 0.00 -1.26 -4.83 107.32 105.97 1sgo s GLY 24 Ca 0.00 -0.30 0.16 0.00 0.00 0.00 0.00 44.72 44.58 1sgo s GLY 24 CO 0.00 2.94 1.62 0.74 0.00 0.00 0.00 173.10 178.40 1sgo h PHE 25 N 11.65 0.00 -2.97 1.90 0.04 -1.93 -3.44 116.94 122.19 1sgo h PHE 25 Ca -0.28 0.00 -0.62 0.00 2.80 0.00 0.00 57.97 59.87 1sgo h PHE 25 Cb 1.12 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.21 1sgo h PHE 25 CO 1.00 0.48 -0.23 -1.21 -0.60 0.00 0.00 178.31 177.74 1sgo s GLU 26 N -3.40 3.86 -0.04 1.51 0.41 -1.26 -4.98 118.70 114.81 1sgo s GLU 26 Ca 0.01 0.35 0.04 0.00 -0.41 0.00 0.00 54.97 54.96 1sgo s GLU 26 Cb 0.10 -3.22 0.18 0.00 -1.78 0.00 0.00 34.13 29.42 1sgo s GLU 26 CO 0.72 0.70 0.91 0.41 -0.49 0.00 0.00 175.26 177.51 1sgo n GLY 27 N 1.83 1.14 3.93 -1.39 0.00 -1.26 -4.87 105.19 104.57 1sgo n GLY 27 Ca -0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 46.02 45.66 1sgo n GLY 27 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1sgo s THR 28 N -1.53 0.00 0.18 2.61 -1.32 -1.26 -5.18 115.64 109.14 1sgo s THR 28 Ca 0.12 -0.46 0.09 0.00 -1.21 0.00 0.00 61.69 60.24 1sgo s THR 28 Cb 0.08 -2.99 -0.04 0.00 -1.51 0.00 0.00 72.50 68.04 1sgo s THR 28 CO 0.05 0.00 -0.14 -1.81 -2.21 0.00 0.00 174.62 170.51 1sgo s ASP 29 N -3.57 4.03 -0.53 8.08 1.01 -1.26 -5.07 116.67 119.35 1sgo s ASP 29 Ca 0.25 -0.64 -0.28 0.00 0.71 0.00 0.00 52.55 52.59 1sgo s ASP 29 Cb -0.02 -0.60 0.02 0.00 1.01 0.00 0.00 42.92 43.33 1sgo s ASP 29 CO 0.04 0.11 1.34 -0.04 0.21 0.00 0.00 175.17 176.83 1sgo s MET 30 N -2.73 3.43 -0.23 8.23 -1.94 -1.26 -4.85 119.30 119.96 1sgo s MET 30 Ca 0.23 0.50 0.10 0.00 -1.71 0.00 0.00 55.69 54.81 1sgo s MET 30 Cb -0.09 -4.06 0.43 0.00 2.01 0.00 0.00 34.83 33.12 1sgo s MET 30 CO 0.13 -1.77 1.21 0.36 -0.01 0.00 0.00 175.02 174.95 1sgo n LYS 31 N 8.44 2.23 -1.96 2.03 2.85 -1.26 -4.96 118.16 125.54 1sgo n LYS 31 Ca 0.12 -3.58 -0.42 0.00 -1.05 0.00 0.00 58.31 53.38 1sgo n LYS 31 Cb 0.49 -1.82 -0.03 0.00 -0.65 0.00 0.00 35.03 33.02 1sgo n LYS 31 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1sgo s ASP 32 N -3.35 6.62 0.36 -5.58 1.11 -1.26 -4.89 116.67 109.68 1sgo s ASP 32 Ca 0.42 2.52 0.06 0.00 0.18 0.00 0.00 52.55 55.72 1sgo s ASP 32 Cb 0.38 -2.58 0.69 0.00 1.07 0.00 0.00 42.92 42.48 1sgo s ASP 32 CO -0.04 -0.84 1.92 -0.03 1.18 0.00 0.00 175.17 177.37 1sgo h MET 33 N 7.59 0.49 -0.30 8.23 4.05 -1.50 -1.48 114.93 132.00 1sgo h MET 33 Ca -0.42 -0.09 -0.15 0.00 -0.28 0.00 0.00 59.70 58.76 1sgo h MET 33 Cb 1.20 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.91 1sgo h MET 33 CO 0.92 0.48 -0.41 -0.09 0.23 0.00 0.00 176.91 178.04 1sgo h ARG 34 N 0.47 0.74 0.80 0.39 1.12 -1.80 -0.19 114.38 115.92 1sgo h ARG 34 Ca 0.11 -0.39 -0.04 0.00 -1.11 0.00 0.00 59.98 58.55 1sgo h ARG 34 Cb 0.25 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.22 1sgo h ARG 34 CO 0.00 1.01 -0.48 1.25 -3.11 0.00 0.00 179.97 178.64 1sgo h LEU 35 N 0.60 -1.20 -1.94 3.80 5.85 -1.61 -1.26 115.31 119.56 1sgo h LEU 35 Ca 0.05 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1sgo h LEU 35 Cb 0.96 0.34 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 1sgo h LEU 35 CO 0.09 -0.74 -0.05 -0.33 -0.34 0.00 0.00 178.44 177.06 1sgo h GLU 36 N -1.19 0.00 -0.73 1.25 4.39 -1.30 -1.09 114.58 115.90 1sgo h GLU 36 Ca -0.11 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 1sgo h GLU 36 Cb 0.95 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.57 1sgo h GLU 36 CO 0.12 0.05 0.29 0.00 -1.16 0.00 0.00 179.01 178.31 1sgo h ALA 37 N 1.95 0.95 -0.47 3.43 0.00 -0.66 -0.17 119.26 124.29 1sgo h ALA 37 Ca -0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1sgo h ALA 37 Cb 0.09 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1sgo h ALA 37 CO 0.01 0.58 0.31 1.49 0.00 0.00 0.00 179.25 181.63 1sgo h GLU 38 N 1.06 0.60 -0.23 0.00 4.57 0.00 -0.17 114.58 120.41 1sgo h GLU 38 Ca 0.24 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.38 1sgo h GLU 38 Cb 0.22 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1sgo h GLU 38 CO -0.02 0.40 0.12 0.00 -1.18 0.00 0.00 179.01 178.33 1sgo h ALA 39 N 1.18 0.30 0.11 2.92 0.00 -1.21 -2.73 119.26 119.82 1sgo h ALA 39 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1sgo h ALA 39 Cb -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1sgo h ALA 39 CO -0.05 -0.16 -0.12 0.28 0.00 0.00 0.00 179.25 179.20 1sgo h VAL 40 N 0.26 0.74 -0.91 0.00 2.07 -0.66 -1.75 116.25 116.00 1sgo h VAL 40 Ca 0.08 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.66 1sgo h VAL 40 Cb 0.08 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 1sgo h VAL 40 CO -0.01 0.00 0.58 0.58 0.02 0.00 0.00 177.57 178.73 1sgo h VAL 41 N -0.25 1.08 0.00 2.57 2.07 -1.00 -0.73 116.25 119.98 1sgo h VAL 41 Ca 0.01 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1sgo h VAL 41 Cb 0.25 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1sgo h VAL 41 CO -0.04 0.19 -0.09 0.78 0.02 0.00 0.00 177.57 178.43 1sgo h ASN 42 N 1.06 0.00 0.02 0.57 2.35 -1.34 -3.00 115.58 115.24 1sgo h ASN 42 Ca 0.39 -0.02 -0.29 0.00 -0.55 0.00 0.00 56.30 55.82 1sgo h ASN 42 Cb 0.13 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 1sgo h ASN 42 CO -0.16 0.01 -1.62 -0.67 -1.65 0.00 0.00 177.43 173.34 1sgo n ASP 43 N -2.49 1.92 -0.85 5.81 2.03 -0.63 -4.37 116.55 117.97 1sgo n ASP 43 Ca 0.05 0.36 0.11 0.00 0.52 0.00 0.00 54.79 55.82 1sgo n ASP 43 Cb 0.46 -0.91 0.28 0.00 -0.72 0.00 0.00 41.12 40.23 1sgo n ASP 43 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1sgo n VAL 44 N -4.21 0.41 0.16 5.18 0.24 -0.38 -4.25 118.33 115.48 1sgo n VAL 44 Ca -0.36 -0.56 0.14 0.00 -2.04 0.00 0.00 64.34 61.52 1sgo n VAL 44 Cb 0.78 0.60 0.70 0.00 -1.47 0.00 0.00 33.84 34.45 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 3.21 0.00 -1.18 1.34 5.85 -1.72 -1.13 115.31 121.68 1sgo h LEU 45 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1sgo h LEU 45 Cb 0.71 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 1sgo h LEU 45 CO 0.00 0.00 -0.08 0.15 -0.34 0.00 0.00 178.44 178.17 1sgo h PHE 46 N 0.00 0.00 -0.00 1.25 3.57 -1.88 -2.76 116.94 117.11 1sgo h PHE 46 Ca 0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1sgo h PHE 46 Cb 0.45 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1sgo h PHE 46 CO 0.00 0.08 -0.21 0.00 -2.23 0.00 0.00 178.31 175.95 1sgo n ALA 47 N -2.14 2.95 -3.47 2.41 0.00 -0.43 -4.88 120.51 114.96 1sgo n ALA 47 Ca 0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 53.44 53.10 1sgo n ALA 47 Cb 0.37 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 1sgo n ALA 47 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1sgo n VAL 48 N -0.92 0.00 -0.07 0.00 0.24 -1.04 -4.24 118.33 112.30 1sgo n VAL 48 Ca 0.12 -0.20 -0.04 0.00 -2.04 0.00 0.00 64.34 62.18 1sgo n VAL 48 Cb 0.32 0.08 -0.01 0.00 -1.47 0.00 0.00 33.84 32.75 1sgo n VAL 48 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 1sgo h ASN 49 N 0.14 0.00 -4.76 -1.34 -1.24 -0.60 -3.42 115.58 104.37 1sgo h ASN 49 Ca -0.03 0.00 -0.22 0.00 0.71 0.00 0.00 56.30 56.76 1sgo h ASN 49 Cb 0.10 0.00 -0.17 0.00 0.73 0.00 0.00 38.32 38.98 1sgo h ASN 49 CO 0.04 0.73 -0.71 0.20 -1.29 0.00 0.00 177.43 176.40 1sgo s ASN 50 N -5.70 0.92 -0.28 1.15 0.02 -0.98 -5.00 114.94 105.06 1sgo s ASN 50 Ca -0.14 -0.84 -0.18 0.00 -1.02 0.00 0.00 52.86 50.68 1sgo s ASN 50 Cb 0.02 0.09 0.12 0.00 0.02 0.00 0.00 41.25 41.50 1sgo s ASN 50 CO 0.20 -0.40 0.91 -0.32 0.02 0.00 0.00 177.10 177.51 1sgo s MET 51 N -3.06 0.50 0.05 -0.60 1.75 -1.26 -0.30 119.30 116.38 1sgo s MET 51 Ca 0.03 0.79 -0.25 0.00 -1.25 0.00 0.00 55.69 55.01 1sgo s MET 51 Cb 0.00 0.14 0.06 0.00 2.84 0.00 0.00 34.83 37.87 1sgo s MET 51 CO -0.04 -0.09 0.59 -0.59 -0.65 0.00 0.00 175.02 174.24 1sgo s PHE 52 N 1.15 -0.53 0.11 4.11 -0.71 -0.08 -4.99 117.98 117.05 1sgo s PHE 52 Ca -0.07 0.63 -0.30 0.00 -1.04 0.00 0.00 56.93 56.15 1sgo s PHE 52 Cb -0.04 0.43 -0.07 0.00 -1.21 0.00 0.00 43.02 42.13 1sgo s PHE 52 CO -0.14 -0.70 1.23 0.14 -1.34 0.00 0.00 175.22 174.42 1sgo s VAL 53 N -2.45 3.77 0.14 -2.49 -7.23 -1.26 -0.31 120.40 110.57 1sgo s VAL 53 Ca -0.05 1.33 -0.31 0.00 -1.81 0.00 0.00 61.98 61.14 1sgo s VAL 53 Cb -0.01 -3.85 -0.09 0.00 0.56 0.00 0.00 36.38 33.00 1sgo s VAL 53 CO -0.01 0.14 1.46 -0.44 -0.31 0.00 0.00 175.10 175.93 1sgo s SER 54 N 0.79 6.73 0.00 4.85 0.01 0.29 -4.80 113.70 121.56 1sgo s SER 54 Ca 0.58 2.45 0.17 0.00 1.31 0.00 0.00 55.95 60.46 1sgo s SER 54 Cb -0.32 -2.59 0.39 0.00 0.21 0.00 0.00 66.02 63.71 1sgo s SER 54 CO 0.32 -0.72 1.31 2.29 0.41 0.00 0.00 173.24 176.85 1sgo n LYS 55 N 3.85 2.45 0.00 12.44 2.85 -1.26 -3.82 118.16 134.67 1sgo n LYS 55 Ca 0.12 -2.14 0.08 0.00 -1.05 0.00 0.00 58.31 55.32 1sgo n LYS 55 Cb 0.41 -1.39 0.06 0.00 -0.65 0.00 0.00 35.03 33.45 1sgo n LYS 55 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1sgo n SER 56 N 1.04 2.24 0.00 -5.58 2.88 -1.26 -4.97 113.62 107.97 1sgo n SER 56 Ca 0.16 -1.62 0.00 0.00 -1.33 0.00 0.00 58.87 56.08 1sgo n SER 56 Cb 0.50 0.08 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1sgo n SER 56 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1sgo n LEU 57 N 0.75 0.00 -4.13 2.46 4.77 -1.25 -5.14 117.00 114.46 1sgo n LEU 57 Ca 0.09 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.89 1sgo n LEU 57 Cb 0.40 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.36 1sgo n LEU 57 CO 0.12 0.00 -0.45 0.00 -1.33 0.00 0.00 177.39 175.73 1sgo s ARG 58 N 2.23 0.77 -0.00 3.23 1.70 -1.26 -5.05 118.95 120.57 1sgo s ARG 58 Ca 0.00 -0.80 -0.20 0.00 -0.47 0.00 0.00 55.73 54.26 1sgo s ARG 58 Cb 0.00 -0.73 0.04 0.00 -0.57 0.00 0.00 34.95 33.69 1sgo s ARG 58 CO 0.00 0.17 0.45 0.00 -1.08 0.00 0.00 175.30 174.84 1sgo n ALA 60 N 0.89 0.00 0.00 0.00 0.00 -0.92 -5.01 120.51 115.47 1sgo n ALA 60 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1sgo n ALA 60 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1sgo n ALA 60 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1sgo n ASP 61 N -1.24 0.00 0.08 0.00 5.68 -1.26 -3.52 116.55 116.28 1sgo n ASP 61 Ca 0.00 0.00 -0.17 0.00 -0.50 0.00 0.00 54.79 54.12 1sgo n ASP 61 Cb 0.00 0.03 -0.09 0.00 -1.14 0.00 0.00 41.12 39.92 1sgo n ASP 61 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 1sgo h ASP 62 N 0.00 0.66 -4.41 -1.12 3.58 -1.94 -1.94 116.42 111.25 1sgo h ASP 62 Ca 0.00 -0.58 -0.41 0.00 0.42 0.00 0.00 57.03 56.46 1sgo h ASP 62 Cb 0.00 -0.21 -0.23 0.00 1.72 0.00 0.00 39.33 40.61 1sgo h ASP 62 CO 0.00 1.40 -0.78 0.54 -2.88 0.00 0.00 179.24 177.52 1sgo s VAL 63 N -3.08 1.04 -0.20 2.25 0.11 -1.26 -4.23 120.40 115.02 1sgo s VAL 63 Ca -0.07 -1.10 -0.04 0.00 -2.93 0.00 0.00 61.98 57.84 1sgo s VAL 63 Cb 0.07 -0.97 0.08 0.00 -1.53 0.00 0.00 36.38 34.03 1sgo s VAL 63 CO 0.90 -0.11 0.16 0.00 -3.33 0.00 0.00 175.10 172.71 1sgo s ALA 64 N -1.04 0.09 -0.43 1.54 0.00 0.06 -2.16 121.76 119.83 1sgo s ALA 64 Ca -0.01 -0.12 -0.24 0.00 0.00 0.00 0.00 51.96 51.59 1sgo s ALA 64 Cb -0.09 -1.23 0.02 0.00 0.00 0.00 0.00 23.12 21.83 1sgo s ALA 64 CO 0.02 -1.26 0.85 0.71 0.00 0.00 0.00 175.76 176.08 1sgo s TYR 65 N 2.23 3.00 -0.09 0.00 2.02 -1.17 -1.00 117.35 122.34 1sgo s TYR 65 Ca 0.05 0.39 0.03 0.00 -0.37 0.00 0.00 57.07 57.18 1sgo s TYR 65 Cb -0.16 -3.72 -0.01 0.00 -0.40 0.00 0.00 41.96 37.67 1sgo s TYR 65 CO -0.14 -0.96 -0.19 0.42 -1.57 0.00 0.00 175.55 173.11 1sgo s ILE 66 N 3.44 2.55 -0.22 2.71 1.01 -0.41 -0.55 121.20 129.72 1sgo s ILE 66 Ca 0.34 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 60.02 1sgo s ILE 66 Cb -0.12 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.31 1sgo s ILE 66 CO 0.22 0.56 0.14 0.21 0.00 0.00 0.00 174.94 176.07 1sgo s ASN 67 N -0.00 6.10 0.05 3.58 2.47 0.57 -0.27 114.94 127.44 1sgo s ASN 67 Ca -0.06 0.14 0.05 0.00 0.42 0.00 0.00 52.86 53.40 1sgo s ASN 67 Cb -0.15 -2.09 -0.03 0.00 -1.45 0.00 0.00 41.25 37.54 1sgo s ASN 67 CO 0.05 0.11 -0.13 0.54 -3.72 0.00 0.00 177.10 173.95 1sgo s VAL 68 N 0.80 1.01 -0.13 -5.21 0.11 -0.27 -0.90 120.40 115.81 1sgo s VAL 68 Ca 0.07 -1.14 -0.02 0.00 -2.93 0.00 0.00 61.98 57.96 1sgo s VAL 68 Cb -0.13 -0.97 0.04 0.00 -1.53 0.00 0.00 36.38 33.80 1sgo s VAL 68 CO 0.02 -0.16 0.01 -0.70 -3.33 0.00 0.00 175.10 170.93 1sgo s GLU 69 N -1.48 0.77 1.10 1.54 2.12 0.59 -0.18 118.70 123.17 1sgo s GLU 69 Ca -0.02 -0.20 -0.13 0.00 0.36 0.00 0.00 54.97 54.99 1sgo s GLU 69 Cb -0.09 -1.59 0.25 0.00 0.26 0.00 0.00 34.13 32.96 1sgo s GLU 69 CO 0.02 -0.45 1.05 0.95 -0.54 0.00 0.00 175.26 176.29 1sgo s THR 70 N 1.87 2.04 -0.56 -1.70 -4.23 0.07 -0.16 115.64 112.97 1sgo s THR 70 Ca 0.02 0.01 0.22 0.00 -1.18 0.00 0.00 61.69 60.76 1sgo s THR 70 Cb -0.15 -2.24 0.23 0.00 1.34 0.00 0.00 72.50 71.68 1sgo s THR 70 CO -0.07 -0.01 1.67 0.29 -0.54 0.00 0.00 174.62 175.96 1sgo n LYS 71 N -4.64 0.16 -0.14 3.99 5.02 -1.26 -0.99 118.16 120.30 1sgo n LYS 71 Ca 0.04 0.40 0.04 0.00 -2.02 0.00 0.00 58.31 56.76 1sgo n LYS 71 Cb 0.55 -1.81 0.11 0.00 -0.02 0.00 0.00 35.03 33.86 1sgo n LYS 71 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1sgo n GLU 72 N -2.12 1.65 -1.37 1.97 -0.58 -1.26 -4.88 120.64 114.04 1sgo n GLU 72 Ca 0.02 -0.92 -0.13 0.00 -0.42 0.00 0.00 57.16 55.72 1sgo n GLU 72 Cb 0.22 -1.24 -0.06 0.00 -0.57 0.00 0.00 31.44 29.79 1sgo n GLU 72 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1sgo n ARG 73 N 0.23 -0.96 -4.00 3.49 1.74 -0.17 -4.98 116.66 112.01 1sgo n ARG 73 Ca 0.08 0.94 -0.34 0.00 -0.77 0.00 0.00 57.85 57.76 1sgo n ARG 73 Cb 0.24 -5.01 -0.10 0.00 -1.02 0.00 0.00 32.46 26.57 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 -2.81 5.65 0.11 0.55 2.47 -1.25 -4.88 114.94 114.77 1sgo s ASN 74 Ca 0.00 0.09 0.03 0.00 0.42 0.00 0.00 52.86 53.40 1sgo s ASN 74 Cb 0.00 -1.96 -0.04 0.00 -1.45 0.00 0.00 41.25 37.80 1sgo s ASN 74 CO 0.00 0.18 0.14 0.00 -3.72 0.00 0.00 177.10 173.70 1sgo s ARG 75 N 0.32 3.05 0.02 0.43 3.03 -1.26 -0.75 118.95 123.79 1sgo s ARG 75 Ca 0.03 -0.68 0.01 0.00 2.03 0.00 0.00 55.73 57.12 1sgo s ARG 75 Cb -0.12 -2.79 -0.01 0.00 -1.03 0.00 0.00 34.95 31.00 1sgo s ARG 75 CO 0.00 0.55 -0.05 0.71 -1.13 0.00 0.00 175.30 175.38 1sgo s TYR 76 N -1.55 0.40 -0.27 5.89 1.51 0.75 -4.03 117.35 120.06 1sgo s TYR 76 Ca 0.31 -0.28 -0.10 0.00 -1.01 0.00 0.00 57.07 55.99 1sgo s TYR 76 Cb -0.12 -0.25 -0.04 0.00 -0.11 0.00 0.00 41.96 41.44 1sgo s TYR 76 CO 0.24 -0.06 0.16 0.00 -1.11 0.00 0.00 175.55 174.78 1sgo s LEU 78 N 1.70 3.74 -0.72 0.00 1.43 0.63 -0.23 118.68 125.23 1sgo s LEU 78 Ca 0.07 0.01 -0.18 0.00 -1.03 0.00 0.00 54.13 53.00 1sgo s LEU 78 Cb -0.16 -1.96 0.13 0.00 0.03 0.00 0.00 46.19 44.23 1sgo s LEU 78 CO 0.09 0.11 0.83 -0.70 0.23 0.00 0.00 176.35 176.91 1sgo s GLU 79 N 0.73 3.29 -0.28 1.70 2.12 0.52 -1.29 118.70 125.50 1sgo s GLU 79 Ca 0.04 -1.65 -0.24 0.00 0.36 0.00 0.00 54.97 53.48 1sgo s GLU 79 Cb -0.13 -4.45 -0.00 0.00 0.26 0.00 0.00 34.13 29.80 1sgo s GLU 79 CO 0.02 -1.55 0.82 -1.17 -0.54 0.00 0.00 175.26 172.84 1sgo s LEU 80 N 2.21 4.07 0.00 2.70 2.96 -0.17 -2.61 118.68 127.85 1sgo s LEU 80 Ca 0.18 0.85 0.06 0.00 -0.22 0.00 0.00 54.13 55.00 1sgo s LEU 80 Cb -0.17 -3.15 -0.02 0.00 0.50 0.00 0.00 46.19 43.35 1sgo s LEU 80 CO -0.01 -0.58 0.23 0.35 -1.32 0.00 0.00 176.35 175.02 1sgo n THR 81 N 5.43 0.00 1.71 3.68 -2.24 -1.02 -0.76 114.28 121.08 1sgo n THR 81 Ca 0.05 -2.28 0.10 0.00 -2.27 0.00 0.00 64.05 59.65 1sgo n THR 81 Cb 0.48 1.05 0.61 0.00 -2.10 0.00 0.00 70.33 70.36 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 -0.68 0.86 -0.00 -0.78 0.28 -1.26 -2.20 120.64 116.85 1sgo n GLU 82 Ca 0.04 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.14 1sgo n GLU 82 Cb 0.57 -1.37 0.09 0.00 1.43 0.00 0.00 31.44 32.16 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 -0.87 2.46 0.00 -1.84 0.00 -1.26 -5.08 120.51 113.92 1sgo n ALA 83 Ca 0.15 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1sgo n ALA 83 Cb 0.07 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 1.23 0.30 3.48 0.00 0.00 -0.94 -4.86 105.19 104.40 1sgo n GLY 84 Ca 0.13 -2.30 -0.42 0.00 0.00 0.00 0.00 46.02 43.42 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 4.98 -0.14 0.99 1.02 -0.88 -2.44 118.68 122.21 1sgo s LEU 85 Ca 0.00 -0.79 -0.00 0.00 0.02 0.00 0.00 54.13 53.36 1sgo s LEU 85 Cb 0.00 -2.16 -0.01 0.00 0.02 0.00 0.00 46.19 44.03 1sgo s LEU 85 CO 0.00 -0.41 -0.13 -0.75 0.02 0.00 0.00 176.35 175.08 1sgo s LYS 86 N 1.71 3.34 0.19 1.70 2.20 -1.07 -1.38 119.74 126.43 1sgo s LYS 86 Ca 0.06 -0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 54.66 1sgo s LYS 86 Cb -0.19 -2.64 -0.08 0.00 -1.51 0.00 0.00 37.83 33.42 1sgo s LYS 86 CO 0.10 0.15 1.11 0.14 -0.36 0.00 0.00 175.35 176.50 1sgo s VAL 87 N 0.50 3.77 -0.09 4.02 -7.23 -1.26 -0.36 120.40 119.75 1sgo s VAL 87 Ca -0.09 1.56 0.01 0.00 -1.81 0.00 0.00 61.98 61.65 1sgo s VAL 87 Cb -0.16 -4.00 0.00 0.00 0.56 0.00 0.00 36.38 32.79 1sgo s VAL 87 CO 0.04 0.28 0.45 1.33 -0.31 0.00 0.00 175.10 176.90 1sgo n VAL 88 N 2.19 0.00 -3.58 1.32 0.24 0.69 -4.68 118.33 114.51 1sgo n VAL 88 Ca 0.02 -0.50 -0.06 0.00 -2.04 0.00 0.00 64.34 61.77 1sgo n VAL 88 Cb 0.46 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.82 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 -0.22 -0.29 -0.17 7.63 0.00 -1.19 -0.06 107.32 113.02 1sgo s GLY 89 Ca 0.01 1.63 0.16 0.00 0.00 0.00 0.00 44.72 46.52 1sgo s GLY 89 CO 0.01 0.60 1.26 1.58 0.00 0.00 0.00 173.10 176.56 1sgo n TYR 90 N 0.04 0.33 -3.85 1.90 0.18 -1.26 -0.42 117.16 114.09 1sgo n TYR 90 Ca -0.03 -1.12 0.00 0.00 1.88 0.00 0.00 57.90 58.63 1sgo n TYR 90 Cb 0.59 -0.24 0.00 0.00 -0.38 0.00 0.00 39.34 39.31 1sgo n TYR 90 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1sgo n ALA 91 N -1.14 0.00 -2.68 -3.48 0.00 -1.26 -4.43 120.51 107.52 1sgo n ALA 91 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.25 1sgo n ALA 91 Cb 0.75 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.13 1sgo n ALA 91 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1sgo s PHE 92 N -1.18 3.41 -1.17 0.00 0.08 -1.26 -4.18 117.98 113.68 1sgo s PHE 92 Ca 0.00 0.74 -0.02 0.00 0.12 0.00 0.00 56.93 57.77 1sgo s PHE 92 Cb 0.00 -2.58 -0.02 0.00 -0.57 0.00 0.00 43.02 39.85 1sgo s PHE 92 CO 0.00 -0.00 0.95 -0.25 -0.10 0.00 0.00 175.22 175.82 1sgo n ASP 93 N 4.40 -3.20 -4.06 1.36 8.00 -1.26 -5.01 116.55 116.78 1sgo n ASP 93 Ca -0.07 -0.67 -0.30 0.00 0.71 0.00 0.00 54.79 54.47 1sgo n ASP 93 Cb 0.51 -5.03 -0.17 0.00 -0.02 0.00 0.00 41.12 36.41 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 -5.17 2.36 -0.23 -1.24 0.74 -1.26 -5.07 119.66 109.78 1sgo s GLN 94 Ca 0.13 -0.60 -0.00 0.00 0.05 0.00 0.00 55.36 54.93 1sgo s GLN 94 Cb -0.02 -2.04 0.07 0.00 1.10 0.00 0.00 33.01 32.11 1sgo s GLN 94 CO 0.74 -0.12 -0.01 0.08 -0.55 0.00 0.00 175.29 175.43 1sgo s VAL 95 N 1.15 1.17 -0.20 1.34 1.01 -1.25 -3.16 120.40 120.46 1sgo s VAL 95 Ca -0.02 -1.06 -0.07 0.00 0.00 0.00 0.00 61.98 60.82 1sgo s VAL 95 Cb -0.14 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1sgo s VAL 95 CO -0.05 -0.21 0.05 -0.62 0.00 0.00 0.00 175.10 174.27 1sgo s ASP 96 N 1.55 5.39 0.03 3.32 -1.08 0.92 -4.98 116.67 121.81 1sgo s ASP 96 Ca -0.02 -0.03 0.25 0.00 -0.52 0.00 0.00 52.55 52.23 1sgo s ASP 96 Cb -0.18 -1.93 0.42 0.00 -1.46 0.00 0.00 42.92 39.76 1sgo s ASP 96 CO -0.09 0.11 1.35 -0.67 0.52 0.00 0.00 175.17 176.40 1sgo n ASP 97 N 3.94 0.56 0.08 -0.34 2.03 -1.26 -3.57 116.55 117.99 1sgo n ASP 97 Ca -0.16 -0.17 -0.08 0.00 0.52 0.00 0.00 54.79 54.89 1sgo n ASP 97 Cb 0.52 0.29 -0.08 0.00 -0.72 0.00 0.00 41.12 41.13 1sgo n ASP 97 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 1sgo h HIS 98 N 0.00 0.14 -1.97 -0.67 2.76 -1.97 -3.45 115.15 109.99 1sgo h HIS 98 Ca 0.00 -0.09 -0.63 0.00 -2.20 0.00 0.00 60.37 57.45 1sgo h HIS 98 Cb 0.58 -0.01 0.02 0.00 1.55 0.00 0.00 27.41 29.55 1sgo h HIS 98 CO 0.00 1.01 1.04 1.28 -1.30 0.00 0.00 177.93 179.97 1sgo n LEU 99 N -3.47 3.25 -4.09 0.26 4.77 -1.23 -4.93 117.00 111.55 1sgo n LEU 99 Ca -0.02 1.00 -0.36 0.00 -0.03 0.00 0.00 56.01 56.60 1sgo n LEU 99 Cb 0.91 -1.34 -0.09 0.00 -2.33 0.00 0.00 43.42 40.57 1sgo n LEU 99 CO 0.48 -0.14 0.13 -1.58 -1.33 0.00 0.00 177.39 174.96 1sgo s GLN 100 N 3.75 2.79 0.07 3.23 -0.44 -1.26 -5.03 119.66 122.78 1sgo s GLN 100 Ca 0.93 -2.81 0.04 0.00 -2.50 0.00 0.00 55.36 51.01 1sgo s GLN 100 Cb -0.75 -3.79 -0.04 0.00 -1.64 0.00 0.00 33.01 26.79 1sgo s GLN 100 CO 0.53 -1.21 0.03 0.95 0.50 0.00 0.00 175.29 176.09 1sgo s THR 101 N -0.54 4.22 -0.19 -0.34 -4.23 -1.26 -5.06 115.64 108.24 1sgo s THR 101 Ca 0.21 -0.86 -0.29 0.00 -1.18 0.00 0.00 61.69 59.57 1sgo s THR 101 Cb -0.15 -3.00 -0.04 0.00 1.34 0.00 0.00 72.50 70.64 1sgo s THR 101 CO -0.07 0.16 1.84 -2.16 -0.54 0.00 0.00 174.62 173.85 1sgo s PRO 102 N -2.23 3.64 -0.22 3.99 0.04 -1.26 -4.80 135.00 134.16 1sgo s PRO 102 Ca 0.26 1.88 -0.29 0.00 0.04 0.00 0.00 61.00 62.89 1sgo s PRO 102 Cb -0.12 -4.16 -0.01 0.00 0.04 0.00 0.00 34.50 30.26 1sgo s PRO 102 CO 0.18 -1.49 1.31 1.52 0.04 0.00 0.00 177.00 178.56 1sgo s TYR 103 N 6.00 2.71 0.34 0.56 -0.85 -1.26 -4.76 117.35 120.09 1sgo s TYR 103 Ca 0.82 0.90 -0.10 0.00 -0.52 0.00 0.00 57.07 58.17 1sgo s TYR 103 Cb -0.30 -3.70 -0.07 0.00 0.38 0.00 0.00 41.96 38.28 1sgo s TYR 103 CO 0.33 -1.86 0.68 -1.01 -1.52 0.00 0.00 175.55 172.18 1sgo s HIS 104 N 3.96 3.44 0.09 -3.49 3.76 -0.48 -4.70 115.29 117.89 1sgo s HIS 104 Ca 0.57 0.97 -0.28 0.00 -0.15 0.00 0.00 55.06 56.16 1sgo s HIS 104 Cb -0.20 -2.36 -0.11 0.00 1.11 0.00 0.00 32.58 31.01 1sgo s HIS 104 CO 0.19 0.05 1.46 1.49 -0.85 0.00 0.00 174.74 177.08 1sgo h GLU 105 N 1.76 -0.53 -5.12 1.40 4.81 -1.93 -2.33 114.58 112.64 1sgo h GLU 105 Ca -0.47 0.04 -0.40 0.00 -0.13 0.00 0.00 59.36 58.40 1sgo h GLU 105 Cb 1.18 0.12 -0.14 0.00 0.63 0.00 0.00 28.75 30.54 1sgo h GLU 105 CO 0.65 -0.35 -0.65 0.95 -0.73 0.00 0.00 179.01 178.88 1sgo s THR 106 N -5.25 1.07 0.37 0.32 -4.23 -1.26 -4.67 115.64 101.99 1sgo s THR 106 Ca -0.13 -2.03 0.18 0.00 -1.18 0.00 0.00 61.69 58.52 1sgo s THR 106 Cb 0.05 -2.41 0.17 0.00 1.34 0.00 0.00 72.50 71.65 1sgo s THR 106 CO 0.50 -0.27 1.91 1.62 -0.54 0.00 0.00 174.62 177.84 1sgo h VAL 107 N 2.42 0.99 0.00 2.29 3.04 -1.98 -0.69 116.25 122.32 1sgo h VAL 107 Ca -0.39 -1.00 -0.00 0.00 -1.01 0.00 0.00 66.70 64.31 1sgo h VAL 107 Cb 1.23 1.57 0.00 0.00 -2.01 0.00 0.00 31.29 32.08 1sgo h VAL 107 CO 0.65 0.27 -0.00 1.88 -1.01 0.00 0.00 177.57 179.36 1sgo h TYR 108 N 0.00 -0.00 -0.27 3.17 0.05 -1.98 0.18 116.97 118.12 1sgo h TYR 108 Ca -0.00 -0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.65 1sgo h TYR 108 Cb 0.55 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 1sgo h TYR 108 CO 0.00 0.33 -0.38 0.66 -1.05 0.00 0.00 178.16 177.72 1sgo h SER 109 N -0.33 0.64 0.11 3.88 4.64 -1.94 -2.08 113.55 118.48 1sgo h SER 109 Ca -0.00 -0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 1sgo h SER 109 Cb 0.33 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1sgo h SER 109 CO 0.00 0.96 -0.05 0.25 -0.87 0.00 0.00 176.83 177.11 1sgo h LEU 110 N 0.51 -0.12 -1.80 5.97 5.85 -1.06 -2.99 115.31 121.67 1sgo h LEU 110 Ca 0.05 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 1sgo h LEU 110 Cb 0.88 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 1sgo h LEU 110 CO 0.08 0.21 -0.15 0.25 -0.34 0.00 0.00 178.44 178.49 1sgo h LEU 111 N -0.47 0.00 -1.17 2.25 5.85 -0.64 -1.19 115.31 119.94 1sgo h LEU 111 Ca -0.01 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1sgo h LEU 111 Cb 0.38 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1sgo h LEU 111 CO 0.02 0.15 -0.40 -0.78 -0.34 0.00 0.00 178.44 177.09 1sgo h ASP 112 N 0.00 0.00 0.75 1.25 3.58 -1.28 0.28 116.42 121.00 1sgo h ASP 112 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1sgo h ASP 112 Cb 0.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.42 1sgo h ASP 112 CO 0.02 0.40 -0.39 0.35 -2.88 0.00 0.00 179.24 176.74 1sgo n THR 113 N -3.94 0.12 -0.02 2.25 -2.24 -0.47 -4.20 114.28 105.78 1sgo n THR 113 Ca -0.02 -0.08 -0.01 0.00 -2.27 0.00 0.00 64.05 61.68 1sgo n THR 113 Cb 0.45 -0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.58 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 -1.69 0.00 -3.96 3.22 4.77 -0.96 -4.92 117.00 113.46 1sgo n LEU 114 Ca 0.05 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.72 1sgo n LEU 114 Cb 0.37 0.08 -0.15 0.00 -2.33 0.00 0.00 43.42 41.39 1sgo n LEU 114 CO 0.33 0.08 -0.37 -0.55 -1.33 0.00 0.00 177.39 175.56 1sgo s SER 115 N -3.29 4.42 0.00 -1.43 0.15 0.95 -4.96 113.70 109.53 1sgo s SER 115 Ca -0.02 -1.76 0.00 0.00 0.70 0.00 0.00 55.95 54.87 1sgo s SER 115 Cb 0.02 -1.40 0.00 0.00 -1.71 0.00 0.00 66.02 62.93 1sgo s SER 115 CO 0.22 -0.33 0.37 -2.65 1.20 0.00 0.00 173.24 172.05 1sgo n PRO 116 N 4.46 0.70 0.00 5.44 -0.02 -1.26 -1.36 135.00 142.96 1sgo n PRO 116 Ca -0.03 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.46 1sgo n PRO 116 Cb 0.42 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 1sgo n PRO 116 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sgo n ALA 117 N 0.12 2.49 -0.05 3.55 0.00 -1.26 -4.73 120.51 120.63 1sgo n ALA 117 Ca 0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 53.44 52.82 1sgo n ALA 117 Cb 0.17 -0.04 -0.05 0.00 0.00 0.00 0.00 19.45 19.52 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 0.23 0.29 -0.14 0.00 3.20 -1.39 0.11 116.97 119.26 1sgo h TYR 118 Ca 0.00 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1sgo h TYR 118 Cb 0.05 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1sgo h TYR 118 CO 0.00 0.43 0.06 0.00 -1.64 0.00 0.00 178.16 177.02 1sgo h ARG 119 N 0.07 0.21 -0.33 1.82 -0.00 -1.85 0.62 114.38 114.92 1sgo h ARG 119 Ca 0.05 -0.03 0.02 0.00 -0.50 0.00 0.00 59.98 59.52 1sgo h ARG 119 Cb 0.30 -0.04 -0.03 0.00 0.00 0.00 0.00 29.97 30.20 1sgo h ARG 119 CO 0.00 0.28 0.17 0.93 0.00 0.00 0.00 179.97 181.35 1sgo h GLU 120 N 0.09 0.34 -0.60 0.04 3.07 -1.84 0.11 114.58 115.80 1sgo h GLU 120 Ca 0.05 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 58.81 1sgo h GLU 120 Cb 0.15 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 1sgo h GLU 120 CO -0.00 0.23 0.09 0.00 -1.40 0.00 0.00 179.01 177.92 1sgo h ALA 121 N 1.16 0.79 -0.24 3.43 0.00 -0.61 0.29 119.26 124.08 1sgo h ALA 121 Ca 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1sgo h ALA 121 Cb 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1sgo h ALA 121 CO -0.09 0.55 0.12 0.35 0.00 0.00 0.00 179.25 180.19 1sgo h PHE 122 N 0.89 0.34 -0.41 0.00 3.57 -0.53 -0.44 116.94 120.38 1sgo h PHE 122 Ca 0.18 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 1sgo h PHE 122 Cb 0.44 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1sgo h PHE 122 CO 0.03 0.33 0.07 0.78 -2.23 0.00 0.00 178.31 177.29 1sgo h GLY 123 N 0.26 0.66 1.13 2.40 0.00 -0.83 -2.50 103.07 104.19 1sgo h GLY 123 Ca 0.08 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 1sgo h GLY 123 CO -0.01 0.35 0.15 -0.57 0.00 0.00 0.00 176.54 176.45 1sgo h ASN 124 N 0.60 1.01 -0.70 0.19 -0.73 -0.41 -2.21 115.58 113.32 1sgo h ASN 124 Ca 0.13 -0.22 -0.01 0.00 1.87 0.00 0.00 56.30 58.07 1sgo h ASN 124 Cb 0.28 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 38.56 1sgo h ASN 124 CO 0.00 0.98 0.40 0.00 -0.37 0.00 0.00 177.43 178.45 1sgo h ALA 125 N 1.14 1.36 -0.13 1.57 0.00 -0.65 0.14 119.26 122.68 1sgo h ALA 125 Ca 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1sgo h ALA 125 Cb 0.38 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1sgo h ALA 125 CO 0.00 0.53 0.03 -0.07 0.00 0.00 0.00 179.25 179.74 1sgo h LEU 126 N 1.00 0.20 -0.65 0.00 4.07 -1.17 -1.27 115.31 117.49 1sgo h LEU 126 Ca 0.26 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1sgo h LEU 126 Cb 0.01 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.70 1sgo h LEU 126 CO -0.04 0.40 0.00 0.17 -1.08 0.00 0.00 178.44 177.88 1sgo h LEU 127 N -0.00 0.00 0.02 1.67 8.10 -1.12 -2.61 115.31 121.36 1sgo h LEU 127 Ca 0.04 0.00 -0.18 0.00 0.11 0.00 0.00 57.88 57.85 1sgo h LEU 127 Cb 0.28 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 40.51 1sgo h LEU 127 CO 0.00 0.00 -0.71 -0.61 -4.11 0.00 0.00 178.44 173.01 1sgo h GLN 128 N 0.00 0.45 0.00 0.17 -0.00 -0.42 -3.11 115.11 112.20 1sgo h GLN 128 Ca 0.00 -0.51 0.00 0.00 -0.00 0.00 0.00 58.65 58.14 1sgo h GLN 128 Cb 0.61 0.15 0.00 0.00 0.00 0.00 0.00 27.48 28.24 1sgo h GLN 128 CO 0.00 1.16 0.00 0.07 0.00 0.00 0.00 178.83 180.06 1sgo h ARG 129 N -0.04 0.00 0.00 1.69 0.11 -1.08 -1.75 114.38 113.31 1sgo h ARG 129 Ca -0.09 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.97 1sgo h ARG 129 Cb 1.43 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.50 1sgo h ARG 129 CO 0.14 0.00 -0.08 1.25 0.10 0.00 0.00 179.97 181.38 1sgo h LEU 130 N 0.00 0.00 0.12 0.08 5.85 -1.39 0.28 115.31 120.24 1sgo h LEU 130 Ca 0.00 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.43 1sgo h LEU 130 Cb 0.40 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 1sgo h LEU 130 CO 0.00 0.08 -1.38 -0.33 -0.34 0.00 0.00 178.44 176.47 1sgo h GLU 131 N 0.00 0.24 -0.51 1.25 4.39 -1.42 -3.22 114.58 115.31 1sgo h GLU 131 Ca -0.00 -0.42 -0.05 0.00 0.34 0.00 0.00 59.36 59.23 1sgo h GLU 131 Cb 0.34 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1sgo h GLU 131 CO 0.01 1.14 0.12 0.00 -1.16 0.00 0.00 179.01 179.12 1sgo h ALA 132 N 0.56 1.24 -0.74 3.43 0.00 -1.23 -2.19 119.26 120.34 1sgo h ALA 132 Ca -0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1sgo h ALA 132 Cb 1.99 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 1sgo h ALA 132 CO 0.18 0.52 0.37 -0.07 0.00 0.00 0.00 179.25 180.25 1sgo h LEU 133 N 0.76 0.96 -1.25 0.00 3.38 -1.08 -1.50 115.31 116.58 1sgo h LEU 133 Ca 0.17 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1sgo h LEU 133 Cb 0.29 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1sgo h LEU 133 CO -0.00 0.82 0.27 0.11 0.09 0.00 0.00 178.44 179.72 1sgo h LYS 134 N 1.04 0.78 -0.00 1.13 1.57 -1.45 -2.30 116.57 117.34 1sgo h LYS 134 Ca 0.26 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1sgo h LYS 134 Cb 0.10 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1sgo h LYS 134 CO -0.03 0.61 -0.11 0.54 -0.57 0.00 0.00 179.45 179.88 1sgo n ARG 135 N -4.37 0.55 -3.60 3.15 1.74 -0.84 -4.81 116.66 108.49 1sgo n ARG 135 Ca 0.05 -0.17 -0.36 0.00 -0.77 0.00 0.00 57.85 56.60 1sgo n ARG 135 Cb 0.13 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.01 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 -2.57 6.67 0.02 0.55 -1.08 -0.63 -5.03 116.67 114.61 1sgo s ASP 136 Ca 0.26 0.80 -0.16 0.00 -0.52 0.00 0.00 52.55 52.94 1sgo s ASP 136 Cb 0.20 -2.19 -0.09 0.00 -1.46 0.00 0.00 42.92 39.38 1sgo s ASP 136 CO 0.49 0.27 1.21 1.23 0.52 0.00 0.00 175.17 178.89 1sgo h GLY 137 N 4.27 -0.60 -6.66 2.66 0.00 -1.87 -3.43 103.07 97.44 1sgo h GLY 137 Ca -0.51 0.22 -0.44 0.00 0.00 0.00 0.00 47.33 46.61 1sgo h GLY 137 CO 0.63 -0.22 -0.71 1.20 0.00 0.00 0.00 176.54 177.44 1sgo s GLN 138 N -4.20 0.25 0.00 4.80 -0.21 -1.26 -5.12 119.66 113.92 1sgo s GLN 138 Ca -0.08 -0.35 0.19 0.00 0.02 0.00 0.00 55.36 55.14 1sgo s GLN 138 Cb 0.01 -0.93 0.15 0.00 1.00 0.00 0.00 33.01 33.24 1sgo s GLN 138 CO 0.25 -1.02 1.12 0.45 -2.12 0.00 0.00 175.29 173.97