#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgo n GLU 2 N 0.00 -3.09 -3.80 0.03 4.71 -1.26 -5.08 120.64 112.15 1sgo n GLU 2 Ca 0.00 2.53 -0.12 0.00 -0.01 0.00 0.00 57.16 59.56 1sgo n GLU 2 Cb 0.00 -5.10 -0.10 0.00 -1.01 0.00 0.00 31.44 25.23 1sgo n GLU 2 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1sgo s THR 3 N -1.66 0.06 0.03 2.62 2.01 -1.26 -5.07 115.64 112.37 1sgo s THR 3 Ca 0.04 -0.46 -0.01 0.00 0.31 0.00 0.00 61.69 61.57 1sgo s THR 3 Cb -0.01 -0.51 -0.27 0.00 0.01 0.00 0.00 72.50 71.73 1sgo s THR 3 CO 0.72 -0.25 0.97 -2.24 -0.69 0.00 0.00 174.62 173.13 1sgo h ASP 4 N 4.36 0.32 -2.31 3.53 2.03 -2.09 -3.42 116.42 118.84 1sgo h ASP 4 Ca -0.29 -0.41 -0.56 0.00 -0.73 0.00 0.00 57.03 55.04 1sgo h ASP 4 Cb 1.19 -0.10 -0.09 0.00 -0.83 0.00 0.00 39.33 39.49 1sgo h ASP 4 CO 0.39 1.33 1.00 0.00 -1.03 0.00 0.00 179.24 180.94 1sgo s ASN 6 N 3.83 4.37 0.04 0.00 -0.87 -1.26 -5.09 114.94 115.96 1sgo s ASN 6 Ca 0.34 -1.32 -0.30 0.00 -1.57 0.00 0.00 52.86 50.00 1sgo s ASN 6 Cb -0.09 -1.56 -0.08 0.00 -0.02 0.00 0.00 41.25 39.51 1sgo s ASN 6 CO 0.12 -0.18 1.64 -2.84 -2.57 0.00 0.00 177.10 173.27 1sgo s PRO 7 N 1.13 4.20 -0.14 -0.60 0.02 -1.26 -4.99 135.00 133.36 1sgo s PRO 7 Ca -0.07 2.29 -0.14 0.00 0.02 0.00 0.00 61.00 63.09 1sgo s PRO 7 Cb -0.19 -3.67 -0.05 0.00 0.02 0.00 0.00 34.50 30.61 1sgo s PRO 7 CO -0.05 -0.74 0.32 -1.64 -0.33 0.00 0.00 177.00 174.55 1sgo s MET 8 N 2.88 4.21 -0.26 5.54 -1.94 -1.26 -5.06 119.30 123.41 1sgo s MET 8 Ca 0.73 0.15 -0.08 0.00 -1.71 0.00 0.00 55.69 54.79 1sgo s MET 8 Cb -0.38 -3.40 -0.03 0.00 2.01 0.00 0.00 34.83 33.03 1sgo s MET 8 CO 0.32 0.28 0.08 -1.21 -0.01 0.00 0.00 175.02 174.48 1sgo s GLU 9 N 0.32 3.60 -0.00 2.03 0.41 -1.26 -5.08 118.70 118.72 1sgo s GLU 9 Ca 0.18 -0.52 -0.01 0.00 -0.41 0.00 0.00 54.97 54.21 1sgo s GLU 9 Cb -0.13 -3.36 -0.00 0.00 -1.78 0.00 0.00 34.13 28.85 1sgo s GLU 9 CO 0.05 -0.22 0.02 -0.48 -0.49 0.00 0.00 175.26 174.14 1sgo s LEU 10 N 1.61 1.96 0.00 1.80 0.05 -1.26 -5.08 118.68 117.76 1sgo s LEU 10 Ca 0.06 -0.14 0.00 0.00 0.05 0.00 0.00 54.13 54.10 1sgo s LEU 10 Cb -0.15 0.17 0.00 0.00 -2.05 0.00 0.00 46.19 44.16 1sgo s LEU 10 CO 0.04 -0.14 0.00 -1.54 -0.55 0.00 0.00 176.35 174.16 1sgo n SER 11 N 2.42 0.00 -0.56 1.48 3.41 -1.26 -4.75 113.62 114.36 1sgo n SER 11 Ca -0.17 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.55 1sgo n SER 11 Cb 0.58 -0.22 0.39 0.00 -0.26 0.00 0.00 64.21 64.70 1sgo n SER 11 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1sgo n SER 12 N -2.00 1.70 -4.56 4.04 7.64 -1.26 -4.67 113.62 114.51 1sgo n SER 12 Ca 0.00 -1.68 -0.43 0.00 1.01 0.00 0.00 58.87 57.76 1sgo n SER 12 Cb 0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 1sgo n SER 12 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1sgo n MET 13 N 0.34 3.23 0.09 1.43 0.00 -1.26 -4.62 117.12 116.33 1sgo n MET 13 Ca 0.17 -3.39 0.00 0.00 -0.00 0.00 0.00 57.70 54.48 1sgo n MET 13 Cb 0.34 -3.41 -0.03 0.00 0.00 0.00 0.00 33.22 30.12 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 7.48 0.00 0.00 6.12 0.87 -1.97 -3.48 113.55 122.57 1sgo h SER 14 Ca 0.42 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.98 1sgo h SER 14 Cb 0.87 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1sgo h SER 14 CO 1.42 0.61 0.00 0.61 -0.53 0.00 0.00 176.83 178.94 1sgo n GLY 15 N 1.30 -1.01 0.00 5.77 0.00 -1.26 -5.06 105.19 104.93 1sgo n GLY 15 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 3.28 0.00 0.33 1.61 -1.74 -1.26 -4.93 117.46 114.76 1sgo n PHE 16 Ca 0.00 0.00 -0.07 0.00 -0.56 0.00 0.00 57.45 56.82 1sgo n PHE 16 Cb 0.00 0.00 0.06 0.00 1.52 0.00 0.00 39.48 41.06 1sgo n PHE 16 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59 1sgo n GLU 17 N -0.08 1.41 0.14 3.97 1.02 -1.26 -4.38 120.64 121.46 1sgo n GLU 17 Ca 0.00 -0.91 0.01 0.00 -0.02 0.00 0.00 57.16 56.24 1sgo n GLU 17 Cb 0.00 -1.37 0.32 0.00 -0.02 0.00 0.00 31.44 30.37 1sgo n GLU 17 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1sgo h GLU 18 N 0.34 0.13 0.00 3.49 4.39 -1.99 -3.49 114.58 117.44 1sgo h GLU 18 Ca 0.19 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1sgo h GLU 18 Cb 1.54 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.19 1sgo h GLU 18 CO 0.33 0.45 0.00 0.41 -1.16 0.00 0.00 179.01 179.03 1sgo n GLY 19 N -0.48 0.62 1.24 -3.84 0.00 -1.26 -4.77 105.19 96.70 1sgo n GLY 19 Ca -0.01 -2.14 0.08 0.00 0.00 0.00 0.00 46.02 43.94 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 0.53 3.62 -0.12 1.61 7.64 -1.26 -4.44 113.62 121.21 1sgo n SER 20 Ca 0.00 -2.25 0.08 0.00 1.01 0.00 0.00 58.87 57.70 1sgo n SER 20 Cb 0.00 -0.47 0.41 0.00 -1.01 0.00 0.00 64.21 63.14 1sgo n SER 20 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1sgo h GLU 21 N 3.25 0.59 -5.72 1.43 5.08 -2.02 -3.35 114.58 113.84 1sgo h GLU 21 Ca 0.00 -0.04 -0.61 0.00 -1.00 0.00 0.00 59.36 57.72 1sgo h GLU 21 Cb 1.07 -0.13 -0.13 0.00 0.50 0.00 0.00 28.75 30.07 1sgo h GLU 21 CO 0.13 0.39 0.66 -0.51 -1.00 0.00 0.00 179.01 178.68 1sgo s LEU 22 N -9.55 4.07 0.00 1.33 2.01 -1.26 -4.64 118.68 110.64 1sgo s LEU 22 Ca -0.09 -0.76 0.00 0.00 0.01 0.00 0.00 54.13 53.29 1sgo s LEU 22 Cb 0.19 -2.52 0.00 0.00 0.01 0.00 0.00 46.19 43.87 1sgo s LEU 22 CO 0.76 -1.49 0.00 -3.20 1.01 0.00 0.00 176.35 173.43 1sgo n ASN 23 N 8.03 1.21 -4.37 2.29 5.15 -1.26 -4.96 115.26 121.34 1sgo n ASN 23 Ca -0.01 0.00 -0.45 0.00 -0.60 0.00 0.00 54.58 53.51 1sgo n ASN 23 Cb 0.47 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.71 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 -3.35 2.81 0.20 8.20 0.00 -1.26 -4.22 107.32 109.69 1sgo s GLY 24 Ca 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 44.72 41.20 1sgo s GLY 24 CO 0.00 1.52 0.00 0.33 0.00 0.00 0.00 173.10 174.95 1sgo n PHE 25 N 3.94 -3.32 0.00 1.90 7.35 -1.26 -5.05 117.46 121.02 1sgo n PHE 25 Ca 0.24 0.67 -0.04 0.00 -0.76 0.00 0.00 57.45 57.56 1sgo n PHE 25 Cb 0.43 1.93 -0.01 0.00 0.35 0.00 0.00 39.48 42.17 1sgo n PHE 25 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1sgo n GLU 26 N -2.90 0.13 -1.15 -4.13 1.02 -1.26 -4.75 120.64 107.60 1sgo n GLU 26 Ca 0.00 0.06 -0.33 0.00 -0.02 0.00 0.00 57.16 56.86 1sgo n GLU 26 Cb 0.00 -0.73 -0.04 0.00 -0.02 0.00 0.00 31.44 30.65 1sgo n GLU 26 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sgo n GLY 27 N 2.87 3.89 0.57 0.62 0.00 -1.26 -3.78 105.19 108.10 1sgo n GLY 27 Ca -0.07 -1.32 0.01 0.00 0.00 0.00 0.00 46.02 44.64 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 3.64 0.17 -2.74 2.61 -1.04 -1.26 -4.82 114.28 110.83 1sgo n THR 28 Ca 0.68 -0.32 -0.43 0.00 -2.04 0.00 0.00 64.05 61.95 1sgo n THR 28 Cb 0.25 0.49 -0.03 0.00 -1.82 0.00 0.00 70.33 69.22 1sgo n THR 28 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1sgo s ASP 29 N -1.28 6.86 -0.02 8.00 2.15 -1.25 -4.87 116.67 126.26 1sgo s ASP 29 Ca 0.07 0.95 0.18 0.00 0.43 0.00 0.00 52.55 54.17 1sgo s ASP 29 Cb 0.07 -2.50 -0.28 0.00 -0.30 0.00 0.00 42.92 39.91 1sgo s ASP 29 CO -0.02 -0.78 0.40 0.80 -0.17 0.00 0.00 175.17 175.41 1sgo n MET 30 N 6.62 0.56 -3.01 4.34 0.00 -1.26 -4.94 117.12 119.43 1sgo n MET 30 Ca 0.09 -0.16 -0.43 0.00 -0.00 0.00 0.00 57.70 57.20 1sgo n MET 30 Cb 0.47 -1.43 -0.05 0.00 0.00 0.00 0.00 33.22 32.21 1sgo n MET 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 1sgo s LYS 31 N -3.24 3.25 -0.90 2.12 -2.85 -1.26 -4.97 119.74 111.89 1sgo s LYS 31 Ca -0.06 -0.51 -0.17 0.00 -1.00 0.00 0.00 55.97 54.23 1sgo s LYS 31 Cb 0.12 -4.05 0.17 0.00 -2.06 0.00 0.00 37.83 32.00 1sgo s LYS 31 CO 0.75 -1.29 0.99 -0.51 0.10 0.00 0.00 175.35 175.39 1sgo s ASP 32 N 2.61 6.69 0.54 0.03 1.01 -1.26 -4.31 116.67 121.98 1sgo s ASP 32 Ca 0.23 -2.32 0.32 0.00 0.71 0.00 0.00 52.55 51.50 1sgo s ASP 32 Cb -0.15 -2.33 1.26 0.00 1.01 0.00 0.00 42.92 42.71 1sgo s ASP 32 CO 0.17 -0.86 1.94 -0.03 0.21 0.00 0.00 175.17 176.60 1sgo h MET 33 N 8.39 0.00 -0.59 8.23 4.05 -1.36 0.91 114.93 134.55 1sgo h MET 33 Ca 0.14 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.61 1sgo h MET 33 Cb 1.03 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.79 1sgo h MET 33 CO 0.97 0.00 0.39 0.07 0.23 0.00 0.00 176.91 178.58 1sgo h ARG 34 N 0.00 0.62 0.05 0.39 0.11 -1.81 0.59 114.38 114.34 1sgo h ARG 34 Ca -0.00 -0.04 -0.11 0.00 0.10 0.00 0.00 59.98 59.93 1sgo h ARG 34 Cb 0.57 -0.14 0.01 0.00 1.11 0.00 0.00 29.97 31.52 1sgo h ARG 34 CO 0.00 0.41 -0.46 1.25 0.10 0.00 0.00 179.97 181.28 1sgo h LEU 35 N 0.64 0.31 -1.97 0.08 6.46 -1.23 -2.59 115.31 117.01 1sgo h LEU 35 Ca 0.25 -0.89 0.06 0.00 -0.12 0.00 0.00 57.88 57.17 1sgo h LEU 35 Cb 0.17 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 1sgo h LEU 35 CO -0.07 1.17 0.17 -0.33 -0.62 0.00 0.00 178.44 178.76 1sgo h GLU 36 N -0.51 0.03 -0.02 1.25 5.08 -1.14 -1.73 114.58 117.54 1sgo h GLU 36 Ca -0.07 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1sgo h GLU 36 Cb 1.29 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1sgo h GLU 36 CO 0.09 0.02 -0.07 0.00 -1.00 0.00 0.00 179.01 178.05 1sgo h ALA 37 N 1.88 0.04 -0.99 3.43 0.00 -0.88 -2.60 119.26 120.14 1sgo h ALA 37 Ca 0.11 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.73 1sgo h ALA 37 Cb 0.40 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1sgo h ALA 37 CO -0.01 -0.09 0.64 1.49 0.00 0.00 0.00 179.25 181.28 1sgo h GLU 38 N -0.52 1.14 -0.16 0.00 4.81 -0.99 0.08 114.58 118.95 1sgo h GLU 38 Ca -0.00 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1sgo h GLU 38 Cb 0.71 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1sgo h GLU 38 CO 0.02 0.75 0.04 0.00 -0.73 0.00 0.00 179.01 179.09 1sgo h ALA 39 N 1.46 0.20 -0.77 2.92 0.00 -1.37 -3.01 119.26 118.70 1sgo h ALA 39 Ca 0.42 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1sgo h ALA 39 Cb 0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1sgo h ALA 39 CO -0.16 -0.16 0.32 0.28 0.00 0.00 0.00 179.25 179.54 1sgo h VAL 40 N 0.06 1.25 -0.61 0.00 2.07 -0.98 -1.76 116.25 116.28 1sgo h VAL 40 Ca 0.05 -0.78 0.11 0.00 0.82 0.00 0.00 66.70 66.89 1sgo h VAL 40 Cb 0.26 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1sgo h VAL 40 CO 0.00 0.32 0.41 0.58 0.02 0.00 0.00 177.57 178.90 1sgo h VAL 41 N 1.11 0.88 0.00 2.57 2.07 -0.91 -0.69 116.25 121.28 1sgo h VAL 41 Ca 0.26 -0.13 -0.12 0.00 0.82 0.00 0.00 66.70 67.53 1sgo h VAL 41 Cb 0.19 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1sgo h VAL 41 CO -0.02 0.07 -1.15 0.78 0.02 0.00 0.00 177.57 177.27 1sgo h ASN 42 N 0.38 0.00 0.00 0.57 2.35 -1.29 -3.25 115.58 114.34 1sgo h ASN 42 Ca 0.28 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.03 1sgo h ASN 42 Cb 0.60 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.97 1sgo h ASN 42 CO -0.08 0.42 -0.08 -0.78 -1.65 0.00 0.00 177.43 175.27 1sgo h ASP 43 N 0.00 0.00 -0.17 5.81 3.58 -0.36 -3.36 116.42 121.91 1sgo h ASP 43 Ca -0.10 -0.39 0.00 0.00 0.42 0.00 0.00 57.03 56.96 1sgo h ASP 43 Cb 1.41 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.46 1sgo h ASP 43 CO 0.04 0.74 0.00 1.33 -2.88 0.00 0.00 179.24 178.46 1sgo n VAL 44 N -4.70 0.22 0.28 2.25 0.24 -0.39 -3.80 118.33 112.43 1sgo n VAL 44 Ca -0.05 -0.34 0.12 0.00 -2.04 0.00 0.00 64.34 62.03 1sgo n VAL 44 Cb 0.22 0.31 0.78 0.00 -1.47 0.00 0.00 33.84 33.68 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 2.04 0.00 -0.49 1.34 5.85 -1.71 -0.83 115.31 121.51 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 0.45 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1sgo h LEU 45 CO 0.00 0.04 0.00 0.33 -0.34 0.00 0.00 178.44 178.47 1sgo n PHE 46 N -4.01 0.76 0.95 1.25 7.35 -1.25 -2.58 117.46 119.93 1sgo n PHE 46 Ca -0.03 0.28 0.10 0.00 -0.76 0.00 0.00 57.45 57.04 1sgo n PHE 46 Cb 0.13 -0.95 -0.12 0.00 0.35 0.00 0.00 39.48 38.89 1sgo n PHE 46 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1sgo n ALA 47 N -1.75 4.66 -3.87 3.13 0.00 -0.32 -4.83 120.51 117.53 1sgo n ALA 47 Ca 0.03 -0.59 -0.01 0.00 0.00 0.00 0.00 53.44 52.87 1sgo n ALA 47 Cb 0.27 -0.76 -0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.52 0.00 -0.08 0.00 0.24 -1.07 -4.32 118.33 111.59 1sgo n VAL 48 Ca 0.04 -0.08 -0.11 0.00 -2.04 0.00 0.00 64.34 62.14 1sgo n VAL 48 Cb 0.33 0.02 -0.05 0.00 -1.47 0.00 0.00 33.84 32.67 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 -1.32 1.83 -4.12 -1.34 5.15 0.09 -4.71 115.26 110.85 1sgo n ASN 49 Ca -0.01 0.55 -0.09 0.00 -0.60 0.00 0.00 54.58 54.43 1sgo n ASN 49 Cb 0.02 -0.90 -0.10 0.00 -0.53 0.00 0.00 39.78 38.27 1sgo n ASN 49 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1sgo s ASN 50 N -6.15 0.82 -0.29 1.20 0.01 -0.92 -5.03 114.94 104.59 1sgo s ASN 50 Ca -0.20 -0.95 -0.20 0.00 -0.71 0.00 0.00 52.86 50.79 1sgo s ASN 50 Cb 0.04 0.13 0.13 0.00 0.41 0.00 0.00 41.25 41.96 1sgo s ASN 50 CO 0.35 -0.50 0.98 -0.32 -1.51 0.00 0.00 177.10 176.11 1sgo s MET 51 N -3.63 0.46 0.04 -0.60 1.75 -1.26 -0.29 119.30 115.78 1sgo s MET 51 Ca 0.07 0.67 -0.27 0.00 -1.25 0.00 0.00 55.69 54.91 1sgo s MET 51 Cb 0.05 0.16 0.07 0.00 2.84 0.00 0.00 34.83 37.95 1sgo s MET 51 CO -0.06 -0.08 0.67 0.12 -0.65 0.00 0.00 175.02 175.02 1sgo s PHE 52 N 0.82 -0.58 0.38 4.11 5.36 -0.21 -4.96 117.98 122.91 1sgo s PHE 52 Ca -0.03 0.70 -0.27 0.00 -0.96 0.00 0.00 56.93 56.38 1sgo s PHE 52 Cb -0.04 0.49 -0.09 0.00 -0.34 0.00 0.00 43.02 43.03 1sgo s PHE 52 CO -0.11 -0.70 1.27 0.54 -1.46 0.00 0.00 175.22 174.76 1sgo s VAL 53 N -2.43 2.77 0.87 3.12 0.11 -1.26 -0.32 120.40 123.26 1sgo s VAL 53 Ca -0.04 0.70 -0.11 0.00 -2.93 0.00 0.00 61.98 59.60 1sgo s VAL 53 Cb -0.01 -3.42 0.11 0.00 -1.53 0.00 0.00 36.38 31.54 1sgo s VAL 53 CO -0.02 0.12 1.09 -0.44 -3.33 0.00 0.00 175.10 172.52 1sgo s SER 54 N -0.76 3.69 0.00 3.54 0.01 -0.26 -4.67 113.70 115.26 1sgo s SER 54 Ca 0.55 1.52 0.00 0.00 1.31 0.00 0.00 55.95 59.33 1sgo s SER 54 Cb -0.37 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1sgo s SER 54 CO 0.48 -2.50 0.00 1.17 0.41 0.00 0.00 173.24 172.79 1sgo n LYS 55 N -3.80 2.02 -0.67 12.44 4.81 -1.26 -4.73 118.16 126.98 1sgo n LYS 55 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1sgo n LYS 55 Cb 0.55 -0.95 0.23 0.00 0.02 0.00 0.00 35.03 34.88 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 -1.57 3.22 0.00 3.14 7.64 -1.26 -4.93 113.62 119.85 1sgo n SER 56 Ca 0.00 -3.42 0.00 0.00 1.01 0.00 0.00 58.87 56.46 1sgo n SER 56 Cb 0.21 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 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 -0.84 0.00 -3.94 -3.43 7.99 -1.26 -5.01 117.00 110.50 1sgo n LEU 57 Ca 0.30 0.00 -0.20 0.00 -0.01 0.00 0.00 56.01 56.09 1sgo n LEU 57 Cb 1.02 0.00 -0.16 0.00 -0.11 0.00 0.00 43.42 44.17 1sgo n LEU 57 CO 0.20 0.00 -0.42 0.00 -1.51 0.00 0.00 177.39 175.66 1sgo s ARG 58 N 3.29 0.96 -0.34 3.23 1.70 -1.26 -5.04 118.95 121.48 1sgo s ARG 58 Ca 0.00 -0.20 0.13 0.00 -0.47 0.00 0.00 55.73 55.19 1sgo s ARG 58 Cb 0.00 -0.90 0.46 0.00 -0.57 0.00 0.00 34.95 33.94 1sgo s ARG 58 CO 0.00 -0.00 1.07 0.00 -1.08 0.00 0.00 175.30 175.29 1sgo s ALA 60 N -3.47 3.66 0.00 0.00 0.00 -1.03 -4.66 121.76 116.27 1sgo s ALA 60 Ca 0.38 -3.10 0.00 0.00 0.00 0.00 0.00 51.96 49.24 1sgo s ALA 60 Cb 0.41 -4.26 0.00 0.00 0.00 0.00 0.00 23.12 19.26 1sgo s ALA 60 CO -0.05 -2.98 0.00 -0.25 0.00 0.00 0.00 175.76 172.48 1sgo n ASP 61 N 6.63 0.00 0.22 0.00 8.00 -1.26 -3.41 116.55 126.73 1sgo n ASP 61 Ca 0.37 0.00 0.13 0.00 0.71 0.00 0.00 54.79 56.00 1sgo n ASP 61 Cb 0.45 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.84 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 -4.30 -2.24 3.58 -1.88 -0.25 116.42 111.34 1sgo h ASP 62 Ca 0.00 0.00 -0.45 0.00 0.42 0.00 0.00 57.03 57.00 1sgo h ASP 62 Cb 0.00 0.00 -0.26 0.00 1.72 0.00 0.00 39.33 40.79 1sgo h ASP 62 CO 0.00 0.00 -0.80 0.54 -2.88 0.00 0.00 179.24 176.10 1sgo s VAL 63 N -3.29 1.12 -0.24 2.25 0.11 -1.22 -4.50 120.40 114.62 1sgo s VAL 63 Ca 0.06 -0.93 -0.08 0.00 -2.93 0.00 0.00 61.98 58.10 1sgo s VAL 63 Cb 0.06 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 34.02 1sgo s VAL 63 CO 0.64 0.06 0.52 0.00 -3.33 0.00 0.00 175.10 172.99 1sgo s ALA 64 N -0.75 -1.53 0.10 1.54 0.00 -1.01 -2.46 121.76 117.65 1sgo s ALA 64 Ca 0.02 1.86 -0.22 0.00 0.00 0.00 0.00 51.96 53.62 1sgo s ALA 64 Cb -0.07 -1.52 -0.07 0.00 0.00 0.00 0.00 23.12 21.46 1sgo s ALA 64 CO 0.01 -0.83 0.67 0.71 0.00 0.00 0.00 175.76 176.32 1sgo s TYR 65 N 2.73 3.83 -0.04 0.00 1.51 -1.25 -0.84 117.35 123.29 1sgo s TYR 65 Ca -0.03 1.43 0.05 0.00 -1.01 0.00 0.00 57.07 57.51 1sgo s TYR 65 Cb -0.12 -2.65 -0.01 0.00 -0.11 0.00 0.00 41.96 39.08 1sgo s TYR 65 CO -0.15 0.50 -0.20 0.42 -1.11 0.00 0.00 175.55 175.01 1sgo s ILE 66 N -0.92 1.65 -0.45 2.71 1.01 0.43 -1.10 121.20 124.53 1sgo s ILE 66 Ca 0.33 -0.85 -0.17 0.00 0.00 0.00 0.00 60.65 59.96 1sgo s ILE 66 Cb -0.21 -1.41 0.04 0.00 0.01 0.00 0.00 42.46 40.90 1sgo s ILE 66 CO 0.22 0.47 0.45 0.20 0.00 0.00 0.00 174.94 176.28 1sgo s ASN 67 N -0.09 6.18 -0.06 3.58 0.01 0.56 -0.45 114.94 124.67 1sgo s ASN 67 Ca -0.02 -0.89 0.03 0.00 -0.71 0.00 0.00 52.86 51.26 1sgo s ASN 67 Cb -0.12 -2.22 -0.02 0.00 0.41 0.00 0.00 41.25 39.30 1sgo s ASN 67 CO 0.02 -0.64 -0.13 0.54 -1.51 0.00 0.00 177.10 175.38 1sgo s VAL 68 N 2.07 3.12 -0.33 1.60 0.11 -0.10 -1.04 120.40 125.83 1sgo s VAL 68 Ca 0.10 -0.69 0.04 0.00 -2.93 0.00 0.00 61.98 58.50 1sgo s VAL 68 Cb -0.19 -2.24 0.10 0.00 -1.53 0.00 0.00 36.38 32.51 1sgo s VAL 68 CO 0.11 0.58 0.04 -0.70 -3.33 0.00 0.00 175.10 171.80 1sgo s GLU 69 N -0.58 1.50 0.95 1.54 2.12 0.60 -0.39 118.70 124.44 1sgo s GLU 69 Ca 0.08 -1.77 -0.11 0.00 0.36 0.00 0.00 54.97 53.53 1sgo s GLU 69 Cb -0.11 -3.09 0.16 0.00 0.26 0.00 0.00 34.13 31.35 1sgo s GLU 69 CO 0.01 -0.91 1.09 0.95 -0.54 0.00 0.00 175.26 175.87 1sgo s THR 70 N 0.97 2.43 0.35 -1.70 -4.23 -0.93 -0.73 115.64 111.80 1sgo s THR 70 Ca 0.09 0.14 0.30 0.00 -1.18 0.00 0.00 61.69 61.03 1sgo s THR 70 Cb -0.19 -2.40 0.31 0.00 1.34 0.00 0.00 72.50 71.56 1sgo s THR 70 CO -0.09 -0.18 2.05 0.11 -0.54 0.00 0.00 174.62 175.97 1sgo h LYS 71 N -1.83 0.00 0.00 3.99 1.57 -1.84 0.16 116.57 118.62 1sgo h LYS 71 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1sgo h LYS 71 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1sgo h LYS 71 CO 0.50 0.11 0.00 0.39 -0.57 0.00 0.00 179.45 179.87 1sgo n GLU 72 N -3.46 0.74 -1.52 3.15 -0.58 -1.26 -4.84 120.64 112.87 1sgo n GLU 72 Ca -0.01 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.59 1sgo n GLU 72 Cb 0.26 -1.29 -0.05 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 -0.79 -0.96 -3.87 3.49 1.74 0.04 -4.98 116.66 111.34 1sgo n ARG 73 Ca 0.10 0.92 -0.35 0.00 -0.77 0.00 0.00 57.85 57.76 1sgo n ARG 73 Cb 0.05 -5.02 -0.10 0.00 -1.02 0.00 0.00 32.46 26.37 1sgo n ARG 73 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1sgo s ASN 74 N -2.79 5.79 0.06 0.55 0.02 -1.26 -4.94 114.94 112.37 1sgo s ASN 74 Ca 0.00 0.09 -0.07 0.00 -1.02 0.00 0.00 52.86 51.86 1sgo s ASN 74 Cb 0.00 -2.01 -0.05 0.00 0.02 0.00 0.00 41.25 39.21 1sgo s ASN 74 CO 0.00 0.14 0.33 -0.13 0.02 0.00 0.00 177.10 177.45 1sgo s ARG 75 N 0.61 3.63 0.01 -0.60 0.52 -1.26 -2.20 118.95 119.66 1sgo s ARG 75 Ca 0.05 -0.02 0.00 0.00 -0.52 0.00 0.00 55.73 55.24 1sgo s ARG 75 Cb -0.13 -3.01 -0.01 0.00 0.52 0.00 0.00 34.95 32.33 1sgo s ARG 75 CO 0.01 0.58 -0.02 0.71 0.02 0.00 0.00 175.30 176.60 1sgo s TYR 76 N -1.41 0.18 -0.38 -0.53 2.02 0.48 -3.94 117.35 113.77 1sgo s TYR 76 Ca 0.32 -0.17 -0.10 0.00 -0.37 0.00 0.00 57.07 56.75 1sgo s TYR 76 Cb -0.13 -0.12 0.04 0.00 -0.40 0.00 0.00 41.96 41.35 1sgo s TYR 76 CO 0.19 -0.05 0.20 0.00 -1.57 0.00 0.00 175.55 174.32 1sgo s LEU 78 N 1.51 4.33 -0.59 0.00 1.43 0.40 -1.65 118.68 124.11 1sgo s LEU 78 Ca 0.01 0.47 -0.19 0.00 -1.03 0.00 0.00 54.13 53.40 1sgo s LEU 78 Cb -0.20 -2.19 0.10 0.00 0.03 0.00 0.00 46.19 43.93 1sgo s LEU 78 CO 0.05 0.29 0.72 -0.70 0.23 0.00 0.00 176.35 176.95 1sgo s GLU 79 N -0.44 3.05 -0.28 1.70 2.12 0.43 -0.43 118.70 124.85 1sgo s GLU 79 Ca 0.14 -1.25 -0.29 0.00 0.36 0.00 0.00 54.97 53.93 1sgo s GLU 79 Cb -0.12 -4.25 0.01 0.00 0.26 0.00 0.00 34.13 30.02 1sgo s GLU 79 CO 0.04 -1.55 1.14 -1.17 -0.54 0.00 0.00 175.26 173.17 1sgo s LEU 80 N 2.80 3.98 0.20 2.70 2.96 -0.02 -2.19 118.68 129.12 1sgo s LEU 80 Ca 0.13 1.22 0.01 0.00 -0.22 0.00 0.00 54.13 55.26 1sgo s LEU 80 Cb -0.23 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.87 1sgo s LEU 80 CO 0.07 -0.87 0.07 0.42 -1.32 0.00 0.00 176.35 174.72 1sgo s THR 81 N 3.69 0.39 0.31 3.68 -4.23 -0.45 -2.41 115.64 116.63 1sgo s THR 81 Ca 0.48 -1.98 0.37 0.00 -1.18 0.00 0.00 61.69 59.39 1sgo s THR 81 Cb -0.15 -2.36 0.40 0.00 1.34 0.00 0.00 72.50 71.74 1sgo s THR 81 CO 0.15 -0.21 2.12 1.05 -0.54 0.00 0.00 174.62 177.19 1sgo h GLU 82 N 2.60 0.00 -0.04 3.99 4.11 -1.95 -0.63 114.58 122.66 1sgo h GLU 82 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.06 1sgo h GLU 82 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1sgo h GLU 82 CO 0.59 0.01 0.00 0.00 0.07 0.00 0.00 179.01 179.68 1sgo n ALA 83 N -2.10 2.60 0.00 1.06 0.00 -1.26 -5.01 120.51 115.79 1sgo n ALA 83 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1sgo n ALA 83 Cb 0.22 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 1.05 0.36 3.46 0.00 0.00 -0.24 -4.75 105.19 105.06 1sgo n GLY 84 Ca 0.19 -2.28 -0.35 0.00 0.00 0.00 0.00 46.02 43.57 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 3.36 0.10 0.99 1.02 0.54 -1.34 118.68 123.34 1sgo s LEU 85 Ca 0.00 -0.18 0.07 0.00 0.02 0.00 0.00 54.13 54.04 1sgo s LEU 85 Cb 0.00 -1.87 -0.04 0.00 0.02 0.00 0.00 46.19 44.30 1sgo s LEU 85 CO 0.00 0.04 -0.12 -0.54 0.02 0.00 0.00 176.35 175.75 1sgo s LYS 86 N 1.16 2.08 -0.57 1.70 1.02 -0.93 -0.99 119.74 123.21 1sgo s LYS 86 Ca 0.03 -1.03 -0.22 0.00 0.02 0.00 0.00 55.97 54.77 1sgo s LYS 86 Cb -0.14 -2.27 0.05 0.00 -0.52 0.00 0.00 37.83 34.95 1sgo s LYS 86 CO 0.02 0.51 0.87 0.08 -0.92 0.00 0.00 175.35 175.91 1sgo s VAL 87 N -1.17 4.50 -1.41 3.17 1.01 -1.23 -0.43 120.40 124.83 1sgo s VAL 87 Ca 0.20 -0.10 0.16 0.00 0.00 0.00 0.00 61.98 62.24 1sgo s VAL 87 Cb -0.11 -4.52 -0.02 0.00 0.00 0.00 0.00 36.38 31.73 1sgo s VAL 87 CO 0.12 -1.13 0.84 1.33 0.00 0.00 0.00 175.10 176.26 1sgo n VAL 88 N 5.97 0.00 -3.64 2.92 0.24 -0.66 -4.58 118.33 118.59 1sgo n VAL 88 Ca -0.02 -0.32 -0.08 0.00 -2.04 0.00 0.00 64.34 61.88 1sgo n VAL 88 Cb 0.46 1.17 -0.02 0.00 -1.47 0.00 0.00 33.84 33.99 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 -1.94 -0.35 -0.11 7.63 0.00 -0.96 0.27 107.32 111.86 1sgo s GLY 89 Ca 0.13 0.23 0.16 0.00 0.00 0.00 0.00 44.72 45.24 1sgo s GLY 89 CO 0.42 0.07 1.17 1.58 0.00 0.00 0.00 173.10 176.35 1sgo n TYR 90 N -0.40 0.00 -3.86 1.90 0.18 -1.26 -0.33 117.16 113.39 1sgo n TYR 90 Ca -0.10 -0.97 -0.09 0.00 1.88 0.00 0.00 57.90 58.62 1sgo n TYR 90 Cb 0.62 -0.19 -0.06 0.00 -0.38 0.00 0.00 39.34 39.33 1sgo n TYR 90 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1sgo s ALA 91 N -1.87 -0.29 -0.09 -3.48 0.00 -1.25 -4.34 121.76 110.44 1sgo s ALA 91 Ca 0.32 -0.62 -0.29 0.00 0.00 0.00 0.00 51.96 51.37 1sgo s ALA 91 Cb 0.33 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 24.12 1sgo s ALA 91 CO -0.08 -0.62 1.60 -0.06 0.00 0.00 0.00 175.76 176.60 1sgo s PHE 92 N -3.90 2.11 -1.28 0.00 0.08 -1.26 -2.84 117.98 110.88 1sgo s PHE 92 Ca 0.10 0.36 0.00 0.00 0.12 0.00 0.00 56.93 57.51 1sgo s PHE 92 Cb 0.03 -3.87 0.00 0.00 -0.57 0.00 0.00 43.02 38.61 1sgo s PHE 92 CO -0.06 -3.43 0.00 -0.25 -0.10 0.00 0.00 175.22 171.39 1sgo n ASP 93 N 7.29 -4.38 -4.00 1.36 8.00 -1.26 -4.98 116.55 118.58 1sgo n ASP 93 Ca 0.17 0.16 -0.31 0.00 0.71 0.00 0.00 54.79 55.52 1sgo n ASP 93 Cb 0.43 -3.31 -0.15 0.00 -0.02 0.00 0.00 41.12 38.07 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 -3.90 1.78 -0.13 -1.24 0.74 -1.13 -4.86 119.66 110.92 1sgo s GLN 94 Ca 0.00 -1.35 -0.27 0.00 0.05 0.00 0.00 55.36 53.79 1sgo s GLN 94 Cb 0.00 -2.82 -0.02 0.00 1.10 0.00 0.00 33.01 31.28 1sgo s GLN 94 CO 0.00 -0.69 0.90 0.08 -0.55 0.00 0.00 175.29 175.03 1sgo s VAL 95 N 1.18 4.85 -0.13 1.34 1.01 -1.26 -4.05 120.40 123.34 1sgo s VAL 95 Ca -0.02 1.81 -0.09 0.00 0.00 0.00 0.00 61.98 63.68 1sgo s VAL 95 Cb -0.19 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 1sgo s VAL 95 CO -0.07 0.04 0.19 -0.62 0.00 0.00 0.00 175.10 174.63 1sgo s ASP 96 N 1.10 6.41 0.13 3.32 2.15 0.14 -4.96 116.67 124.96 1sgo s ASP 96 Ca 0.43 0.48 0.26 0.00 0.43 0.00 0.00 52.55 54.16 1sgo s ASP 96 Cb -0.17 -2.11 0.79 0.00 -0.30 0.00 0.00 42.92 41.13 1sgo s ASP 96 CO 0.16 0.32 1.70 -0.90 -0.17 0.00 0.00 175.17 176.27 1sgo n ASP 97 N 2.46 0.60 0.09 -0.34 5.75 -1.26 -3.41 116.55 120.43 1sgo n ASP 97 Ca -0.18 0.42 0.07 0.00 -0.01 0.00 0.00 54.79 55.09 1sgo n ASP 97 Cb 0.54 -0.48 -0.01 0.00 -1.03 0.00 0.00 41.12 40.13 1sgo n ASP 97 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 1sgo h HIS 98 N 0.00 0.00 -2.81 2.11 3.86 -1.95 -3.45 115.15 112.91 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 0.67 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.11 1sgo h HIS 98 CO 0.00 0.24 1.03 -0.51 0.86 0.00 0.00 177.93 179.55 1sgo s LEU 99 N -5.66 4.10 -0.21 2.43 1.43 -1.22 -4.83 118.68 114.72 1sgo s LEU 99 Ca -0.00 1.77 0.13 0.00 -1.03 0.00 0.00 54.13 55.00 1sgo s LEU 99 Cb 0.09 -3.53 0.43 0.00 0.03 0.00 0.00 46.19 43.20 1sgo s LEU 99 CO 0.78 -1.00 1.30 0.00 0.23 0.00 0.00 176.35 177.66 1sgo n GLN 100 N 7.17 1.77 -1.76 1.70 6.02 -1.26 -5.01 117.38 126.01 1sgo n GLN 100 Ca 0.16 -3.02 -0.35 0.00 -0.01 0.00 0.00 57.00 53.78 1sgo n GLN 100 Cb 0.45 -1.68 0.06 0.00 1.02 0.00 0.00 30.24 30.09 1sgo n GLN 100 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1sgo s THR 101 N -3.09 2.60 0.00 5.09 -4.23 -1.26 -5.05 115.64 109.69 1sgo s THR 101 Ca 0.39 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 61.23 1sgo s THR 101 Cb 0.35 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 71.21 1sgo s THR 101 CO -0.00 -0.12 0.00 -0.81 -0.54 0.00 0.00 174.62 173.14 1sgo n PRO 102 N -2.14 0.71 -4.10 3.99 -0.04 -1.26 -4.77 135.00 127.40 1sgo n PRO 102 Ca 0.13 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.49 1sgo n PRO 102 Cb 0.50 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.87 1sgo n PRO 102 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1sgo s TYR 103 N -0.28 0.77 0.30 0.54 1.13 -1.26 -3.58 117.35 114.97 1sgo s TYR 103 Ca 0.00 -1.10 0.11 0.00 -1.41 0.00 0.00 57.07 54.67 1sgo s TYR 103 Cb 0.00 -0.34 -0.05 0.00 -1.10 0.00 0.00 41.96 40.47 1sgo s TYR 103 CO 0.00 -0.63 -0.16 -1.01 -2.51 0.00 0.00 175.55 171.23 1sgo s HIS 104 N -4.05 2.31 -0.01 -3.49 3.76 -0.16 -4.94 115.29 108.71 1sgo s HIS 104 Ca 0.25 -0.39 -0.12 0.00 -0.15 0.00 0.00 55.06 54.65 1sgo s HIS 104 Cb 0.06 -1.11 -0.32 0.00 1.11 0.00 0.00 32.58 32.31 1sgo s HIS 104 CO 0.04 0.66 0.84 1.05 -0.85 0.00 0.00 174.74 176.48 1sgo h GLU 105 N 2.20 0.43 -5.91 1.40 9.09 -1.87 0.15 114.58 120.08 1sgo h GLU 105 Ca -0.41 -0.74 -0.53 0.00 0.05 0.00 0.00 59.36 57.73 1sgo h GLU 105 Cb 1.26 0.28 -0.15 0.00 -1.65 0.00 0.00 28.75 28.48 1sgo h GLU 105 CO 0.63 1.34 -0.75 0.95 0.05 0.00 0.00 179.01 181.23 1sgo s THR 106 N -2.59 2.06 0.32 -1.06 -4.23 -1.26 -4.57 115.64 104.30 1sgo s THR 106 Ca -0.12 -2.25 0.12 0.00 -1.18 0.00 0.00 61.69 58.26 1sgo s THR 106 Cb 0.05 -2.12 0.03 0.00 1.34 0.00 0.00 72.50 71.80 1sgo s THR 106 CO 0.89 -0.46 1.72 1.62 -0.54 0.00 0.00 174.62 177.84 1sgo h VAL 107 N 2.56 1.34 -0.08 2.29 3.04 -1.98 -2.73 116.25 120.68 1sgo h VAL 107 Ca -0.40 -1.71 -0.04 0.00 -1.01 0.00 0.00 66.70 63.54 1sgo h VAL 107 Cb 1.23 1.93 -0.00 0.00 -2.01 0.00 0.00 31.29 32.44 1sgo h VAL 107 CO 0.59 0.49 -0.10 1.88 -1.01 0.00 0.00 177.57 179.42 1sgo h TYR 108 N 0.00 0.25 0.00 3.17 0.05 -1.98 0.15 116.97 118.61 1sgo h TYR 108 Ca -0.00 -0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.64 1sgo h TYR 108 Cb 0.89 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.57 1sgo h TYR 108 CO 0.00 0.66 -0.27 1.03 -1.05 0.00 0.00 178.16 178.53 1sgo h SER 109 N -0.22 0.00 0.05 3.88 0.87 -1.99 -2.09 113.55 114.05 1sgo h SER 109 Ca 0.01 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1sgo h SER 109 Cb 0.62 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1sgo h SER 109 CO 0.02 0.27 -0.02 0.25 -0.53 0.00 0.00 176.83 176.82 1sgo h LEU 110 N 0.00 -0.05 -2.01 2.23 5.85 -1.32 -3.27 115.31 116.74 1sgo h LEU 110 Ca -0.00 -0.61 -0.01 0.00 0.84 0.00 0.00 57.88 58.10 1sgo h LEU 110 Cb 0.58 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 1sgo h LEU 110 CO 0.03 0.67 -0.03 0.25 -0.34 0.00 0.00 178.44 179.02 1sgo h LEU 111 N -0.86 0.00 -0.97 2.25 5.85 -0.58 -0.93 115.31 120.07 1sgo h LEU 111 Ca -0.01 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1sgo h LEU 111 Cb 0.66 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1sgo h LEU 111 CO 0.01 0.03 0.18 -0.78 -0.34 0.00 0.00 178.44 177.54 1sgo h ASP 112 N 0.00 0.86 0.89 1.25 3.58 -1.47 -1.40 116.42 120.13 1sgo h ASP 112 Ca -0.00 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.30 1sgo h ASP 112 Cb 0.05 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 40.88 1sgo h ASP 112 CO 0.00 0.82 0.00 0.35 -2.88 0.00 0.00 179.24 177.53 1sgo n THR 113 N -4.27 0.22 -0.09 2.25 -2.24 -0.37 -3.44 114.28 106.33 1sgo n THR 113 Ca 0.05 0.05 -0.09 0.00 -2.27 0.00 0.00 64.05 61.79 1sgo n THR 113 Cb 0.22 -0.61 -0.14 0.00 -2.10 0.00 0.00 70.33 67.70 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 -1.50 0.00 -3.60 3.22 4.77 -0.76 -4.92 117.00 114.21 1sgo n LEU 114 Ca 0.06 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 1sgo n LEU 114 Cb 0.30 0.44 -0.10 0.00 -2.33 0.00 0.00 43.42 41.73 1sgo n LEU 114 CO 0.24 0.44 -0.01 -0.44 -1.33 0.00 0.00 177.39 176.29 1sgo s SER 115 N -5.19 -0.08 0.49 -1.43 0.01 -0.60 -4.65 113.70 102.25 1sgo s SER 115 Ca -0.09 0.79 0.33 0.00 1.31 0.00 0.00 55.95 58.30 1sgo s SER 115 Cb 0.05 1.23 1.58 0.00 0.21 0.00 0.00 66.02 69.09 1sgo s SER 115 CO 0.73 -0.25 1.99 -0.65 0.41 0.00 0.00 173.24 175.48 1sgo h PRO 116 N 8.19 0.00 0.00 12.44 0.11 -1.85 -1.92 132.00 148.96 1sgo h PRO 116 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1sgo h PRO 116 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1sgo h PRO 116 CO 0.15 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.94 1sgo n ALA 117 N -1.97 1.56 -0.35 -0.75 0.00 -1.26 -1.72 120.51 116.01 1sgo n ALA 117 Ca -0.01 0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.55 1sgo n ALA 117 Cb 0.17 -1.33 0.22 0.00 0.00 0.00 0.00 19.45 18.51 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 1.15 -0.54 0.00 3.20 -1.54 -0.62 116.97 118.62 1sgo h TYR 118 Ca 0.00 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 1sgo h TYR 118 Cb 0.28 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 1sgo h TYR 118 CO 0.00 0.54 0.04 0.00 -1.64 0.00 0.00 178.16 177.10 1sgo h ARG 119 N 1.07 0.88 0.05 1.82 3.08 -1.56 -2.72 114.38 117.01 1sgo h ARG 119 Ca 0.45 -0.23 -0.25 0.00 0.07 0.00 0.00 59.98 60.02 1sgo h ARG 119 Cb 0.31 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.26 1sgo h ARG 119 CO -0.20 0.85 -1.06 1.49 -1.07 0.00 0.00 179.97 179.97 1sgo h GLU 120 N 0.82 0.41 0.72 0.04 4.81 -1.56 -1.21 114.58 118.61 1sgo h GLU 120 Ca 0.16 -0.51 -0.03 0.00 -0.13 0.00 0.00 59.36 58.85 1sgo h GLU 120 Cb 0.43 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 1sgo h GLU 120 CO 0.02 1.18 -0.43 0.00 -0.73 0.00 0.00 179.01 179.04 1sgo h ALA 121 N 0.63 -1.24 0.00 2.92 0.00 -0.89 0.24 119.26 120.92 1sgo h ALA 121 Ca -0.11 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1sgo h ALA 121 Cb 1.73 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 20.05 1sgo h ALA 121 CO 0.19 -1.20 -0.32 0.74 0.00 0.00 0.00 179.25 178.66 1sgo h PHE 122 N -1.08 0.00 -0.61 0.00 0.04 -1.63 -2.95 116.94 110.71 1sgo h PHE 122 Ca -0.10 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.59 1sgo h PHE 122 Cb 0.86 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.98 1sgo h PHE 122 CO -0.07 0.32 0.05 0.78 -0.60 0.00 0.00 178.31 178.79 1sgo h GLY 123 N 2.33 1.11 0.92 -1.45 0.00 -0.96 0.11 103.07 105.14 1sgo h GLY 123 Ca -0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 47.33 46.54 1sgo h GLY 123 CO 0.04 0.71 0.13 -0.57 0.00 0.00 0.00 176.54 176.84 1sgo h ASN 124 N 0.96 0.46 -0.59 0.19 -0.00 -0.35 0.72 115.58 116.96 1sgo h ASN 124 Ca 0.18 -0.17 -0.07 0.00 -0.00 0.00 0.00 56.30 56.24 1sgo h ASN 124 Cb 0.48 -0.12 -0.03 0.00 -0.00 0.00 0.00 38.32 38.66 1sgo h ASN 124 CO 0.02 0.51 0.11 0.00 -0.00 0.00 0.00 177.43 178.06 1sgo h ALA 125 N 0.97 1.01 -0.36 1.57 0.00 -1.46 -1.68 119.26 119.31 1sgo h ALA 125 Ca 0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1sgo h ALA 125 Cb 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1sgo h ALA 125 CO -0.01 0.63 0.08 1.25 0.00 0.00 0.00 179.25 181.20 1sgo h LEU 126 N 0.95 0.56 -0.60 0.00 5.85 -0.34 0.65 115.31 122.38 1sgo h LEU 126 Ca 0.19 -0.24 -0.15 0.00 0.84 0.00 0.00 57.88 58.52 1sgo h LEU 126 Cb 0.40 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1sgo h LEU 126 CO 0.01 0.66 -0.64 0.17 -0.34 0.00 0.00 178.44 178.30 1sgo h LEU 127 N 0.44 0.27 -0.46 2.25 8.10 -0.79 -1.06 115.31 124.06 1sgo h LEU 127 Ca 0.11 -0.16 -0.16 0.00 0.11 0.00 0.00 57.88 57.78 1sgo h LEU 127 Cb 0.32 -0.08 -0.01 0.00 -0.44 0.00 0.00 40.66 40.46 1sgo h LEU 127 CO 0.00 0.84 -0.44 -0.61 -4.11 0.00 0.00 178.44 174.12 1sgo h GLN 128 N 0.17 0.78 0.00 0.17 4.15 -1.13 -1.55 115.11 117.70 1sgo h GLN 128 Ca -0.01 -0.43 -0.04 0.00 0.77 0.00 0.00 58.65 58.93 1sgo h GLN 128 Cb 1.16 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 1sgo h GLN 128 CO 0.10 1.06 -0.21 -0.09 -1.93 0.00 0.00 178.83 177.76 1sgo h ARG 129 N 0.63 0.00 0.01 1.69 2.43 -0.73 -2.63 114.38 115.78 1sgo h ARG 129 Ca 0.04 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.02 1sgo h ARG 129 Cb 1.01 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 1sgo h ARG 129 CO 0.10 0.21 -0.89 1.25 -1.51 0.00 0.00 179.97 179.12 1sgo h LEU 130 N 0.00 0.16 -1.21 3.80 5.85 -0.76 -3.03 115.31 120.12 1sgo h LEU 130 Ca -0.00 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1sgo h LEU 130 Cb 0.73 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1sgo h LEU 130 CO 0.03 0.97 0.00 -0.33 -0.34 0.00 0.00 178.44 178.77 1sgo h GLU 131 N 0.06 0.00 0.00 1.25 5.08 -0.90 -1.34 114.58 118.72 1sgo h GLU 131 Ca -0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1sgo h GLU 131 Cb 1.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.79 1sgo h GLU 131 CO 0.13 0.00 -0.05 0.00 -1.00 0.00 0.00 179.01 178.09 1sgo h ALA 132 N 2.11 1.10 0.00 3.43 0.00 -1.53 -0.47 119.26 123.90 1sgo h ALA 132 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1sgo h ALA 132 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1sgo h ALA 132 CO 0.00 0.06 -0.12 1.28 0.00 0.00 0.00 179.25 180.47 1sgo n LEU 133 N -3.29 0.21 -0.10 0.00 4.32 -0.51 -3.26 117.00 114.37 1sgo n LEU 133 Ca -0.01 0.40 -0.15 0.00 -0.02 0.00 0.00 56.01 56.23 1sgo n LEU 133 Cb 0.22 -0.42 -0.14 0.00 -1.62 0.00 0.00 43.42 41.46 1sgo n LEU 133 CO 0.26 0.00 -1.19 0.29 -1.22 0.00 0.00 177.39 175.54 1sgo n LYS 134 N -1.60 0.67 -0.14 3.23 5.02 -0.25 -4.39 118.16 120.70 1sgo n LYS 134 Ca 0.06 0.11 0.07 0.00 -2.02 0.00 0.00 58.31 56.54 1sgo n LYS 134 Cb 0.35 -1.55 0.24 0.00 -0.02 0.00 0.00 35.03 34.05 1sgo n LYS 134 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1sgo n ARG 135 N -3.08 1.77 0.20 1.97 3.00 -0.78 -3.84 116.66 115.89 1sgo n ARG 135 Ca -0.39 -1.19 0.10 0.00 -0.01 0.00 0.00 57.85 56.36 1sgo n ARG 135 Cb 1.06 -1.32 0.13 0.00 0.00 0.00 0.00 32.46 32.33 1sgo n ARG 135 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.63 178.01 1sgo h ASP 136 N 2.08 0.00 0.00 0.55 3.04 -1.75 -3.47 116.42 116.86 1sgo h ASP 136 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1sgo h ASP 136 Cb 0.47 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.76 1sgo h ASP 136 CO 0.00 0.13 0.00 0.61 -2.04 0.00 0.00 179.24 177.94 1sgo n GLY 137 N 1.13 0.45 3.59 7.15 0.00 -1.25 -4.97 105.19 111.30 1sgo n GLY 137 Ca 0.03 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1sgo n GLY 137 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sgo s GLN 138 N -1.25 3.08 0.00 1.61 -1.52 -1.26 -5.21 119.66 115.11 1sgo s GLN 138 Ca 0.00 1.57 0.24 0.00 -1.95 0.00 0.00 55.36 55.22 1sgo s GLN 138 Cb 0.00 -4.31 0.24 0.00 -0.22 0.00 0.00 33.01 28.71 1sgo s GLN 138 CO 0.00 -2.16 1.29 0.43 -0.25 0.00 0.00 175.29 174.60