#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 0.14 0.22 0.03 2.12 -1.26 -5.16 118.70 114.78 1sgo s GLU 2 Ca 0.00 -0.12 0.01 0.00 0.36 0.00 0.00 54.97 55.22 1sgo s GLU 2 Cb 0.00 0.06 -0.05 0.00 0.26 0.00 0.00 34.13 34.40 1sgo s GLU 2 CO 0.00 -0.02 0.06 0.99 -0.54 0.00 0.00 175.26 175.75 1sgo s THR 3 N -0.40 0.57 0.14 -1.70 2.01 -1.26 -5.06 115.64 109.94 1sgo s THR 3 Ca -0.05 -1.99 -0.18 0.00 0.31 0.00 0.00 61.69 59.79 1sgo s THR 3 Cb -0.03 -2.41 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 1sgo s THR 3 CO -0.00 -0.20 1.77 -0.78 -0.69 0.00 0.00 174.62 174.73 1sgo h ASP 4 N 2.53 0.37 -2.81 3.53 3.58 -2.08 -3.41 116.42 118.13 1sgo h ASP 4 Ca -0.37 -0.04 -0.55 0.00 0.42 0.00 0.00 57.03 56.48 1sgo h ASP 4 Cb 1.23 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 42.17 1sgo h ASP 4 CO 0.61 0.30 0.94 0.00 -2.88 0.00 0.00 179.24 178.21 1sgo s ASN 6 N 2.40 6.14 0.35 0.00 3.84 -1.26 -5.05 114.94 121.36 1sgo s ASN 6 Ca 0.63 -0.74 -0.28 0.00 0.21 0.00 0.00 52.86 52.68 1sgo s ASN 6 Cb -0.28 -2.18 -0.12 0.00 -0.55 0.00 0.00 41.25 38.12 1sgo s ASN 6 CO 0.23 -0.47 1.35 -2.65 -2.79 0.00 0.00 177.10 172.76 1sgo n PRO 7 N 5.32 2.29 -2.39 0.43 -0.02 -1.26 -4.88 135.00 134.49 1sgo n PRO 7 Ca -0.10 0.80 -0.38 0.00 -2.02 0.00 0.00 63.50 61.81 1sgo n PRO 7 Cb 0.47 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 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 -1.95 3.15 -0.17 -0.52 1.75 -1.26 -4.69 119.30 115.61 1sgo s MET 8 Ca 0.55 -0.49 -0.08 0.00 -1.25 0.00 0.00 55.69 54.42 1sgo s MET 8 Cb -0.54 -4.85 -0.07 0.00 2.84 0.00 0.00 34.83 32.20 1sgo s MET 8 CO 0.63 -2.49 -0.21 -0.85 -0.65 0.00 0.00 175.02 171.44 1sgo n GLU 9 N 9.06 0.35 0.00 4.11 -0.00 -1.26 -5.08 120.64 127.82 1sgo n GLU 9 Ca 0.25 0.15 0.00 0.00 -0.00 0.00 0.00 57.16 57.56 1sgo n GLU 9 Cb 0.50 -1.11 0.00 0.00 -0.00 0.00 0.00 31.44 30.83 1sgo n GLU 9 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1sgo n LEU 10 N -3.68 0.00 0.00 -1.84 7.99 -1.26 -4.92 117.00 113.29 1sgo n LEU 10 Ca -0.32 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.68 1sgo n LEU 10 Cb 0.74 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.05 1sgo n LEU 10 CO 0.03 0.00 0.00 -1.20 -1.51 0.00 0.00 177.39 174.71 1sgo n SER 11 N 1.90 0.00 0.30 -1.43 7.64 -1.26 -5.01 113.62 115.76 1sgo n SER 11 Ca 0.00 -0.70 0.19 0.00 1.01 0.00 0.00 58.87 59.37 1sgo n SER 11 Cb 0.00 0.00 0.92 0.00 -1.01 0.00 0.00 64.21 64.12 1sgo n SER 11 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1sgo h SER 12 N 0.00 0.00 -1.37 6.43 0.87 -2.08 -3.40 113.55 114.00 1sgo h SER 12 Ca 0.00 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.19 1sgo h SER 12 Cb 0.00 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1sgo h SER 12 CO 0.00 0.02 1.32 -0.32 -0.53 0.00 0.00 176.83 177.32 1sgo s MET 13 N -3.96 1.99 -0.29 2.24 -2.45 -1.26 -4.85 119.30 110.71 1sgo s MET 13 Ca -0.02 1.23 -0.20 0.00 -1.25 0.00 0.00 55.69 55.45 1sgo s MET 13 Cb 0.11 -4.63 0.13 0.00 1.25 0.00 0.00 34.83 31.70 1sgo s MET 13 CO 0.50 -3.52 1.00 -1.54 1.05 0.00 0.00 175.02 172.50 1sgo s SER 14 N 12.00 -0.49 -0.23 1.11 1.04 -1.26 -5.03 113.70 120.84 1sgo s SER 14 Ca 0.97 0.85 0.10 0.00 0.48 0.00 0.00 55.95 58.35 1sgo s SER 14 Cb -0.16 1.04 0.43 0.00 0.10 0.00 0.00 66.02 67.43 1sgo s SER 14 CO 0.22 -0.14 1.21 0.61 0.98 0.00 0.00 173.24 176.13 1sgo n GLY 15 N 2.99 5.44 5.27 7.32 0.00 -1.26 -5.02 105.19 119.93 1sgo n GLY 15 Ca -0.16 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.99 0.00 0.00 1.61 3.72 -1.26 -4.05 117.46 116.48 1sgo n PHE 16 Ca 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 1sgo n PHE 16 Cb 0.77 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.31 1sgo n PHE 16 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1sgo n GLU 17 N 0.00 0.00 -3.40 -1.08 0.28 -1.26 -5.09 120.64 110.09 1sgo n GLU 17 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.99 1sgo n GLU 17 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 1sgo n GLU 17 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1sgo s GLU 18 N 0.00 0.51 0.00 3.44 2.12 -1.26 -5.14 118.70 118.38 1sgo s GLU 18 Ca 0.00 1.09 0.00 0.00 0.36 0.00 0.00 54.97 56.42 1sgo s GLU 18 Cb 0.00 0.49 0.00 0.00 0.26 0.00 0.00 34.13 34.88 1sgo s GLU 18 CO 0.00 -0.44 0.00 0.41 -0.54 0.00 0.00 175.26 174.69 1sgo n GLY 19 N 5.42 0.71 0.98 -1.50 0.00 -1.26 -4.98 105.19 104.56 1sgo n GLY 19 Ca -0.06 -2.21 -0.01 0.00 0.00 0.00 0.00 46.02 43.75 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 0.00 0.62 -1.48 1.61 7.64 -1.26 -4.81 113.62 115.94 1sgo n SER 20 Ca 0.00 0.08 -0.19 0.00 1.01 0.00 0.00 58.87 59.77 1sgo n SER 20 Cb 0.00 -0.20 -0.08 0.00 -1.01 0.00 0.00 64.21 62.92 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 -3.30 -1.48 -3.07 1.43 -0.58 -1.26 -4.93 120.64 107.45 1sgo n GLU 21 Ca -0.02 1.15 -0.43 0.00 -0.42 0.00 0.00 57.16 57.43 1sgo n GLU 21 Cb 0.28 -5.52 -0.06 0.00 -0.57 0.00 0.00 31.44 25.57 1sgo n GLU 21 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1sgo s LEU 22 N -4.36 4.75 -0.28 -4.62 1.43 -1.26 -5.02 118.68 109.31 1sgo s LEU 22 Ca 0.00 -0.78 -0.17 0.00 -1.03 0.00 0.00 54.13 52.15 1sgo s LEU 22 Cb 0.00 -2.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 1sgo s LEU 22 CO 0.00 -0.98 0.48 0.20 0.23 0.00 0.00 176.35 176.28 1sgo s ASN 23 N 2.75 6.37 0.00 2.29 0.02 -1.26 -4.21 114.94 120.90 1sgo s ASN 23 Ca 0.19 0.34 0.00 0.00 -1.02 0.00 0.00 52.86 52.37 1sgo s ASN 23 Cb -0.18 -2.26 0.00 0.00 0.02 0.00 0.00 41.25 38.83 1sgo s ASN 23 CO 0.14 -0.31 0.00 0.61 0.02 0.00 0.00 177.10 177.56 1sgo n GLY 24 N 4.55 -0.79 0.00 0.66 0.00 -1.26 -4.99 105.19 103.36 1sgo n GLY 24 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1sgo n GLY 24 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1sgo n PHE 25 N 0.00 0.00 -0.87 1.61 7.35 -1.26 -5.01 117.46 119.28 1sgo n PHE 25 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1sgo n PHE 25 Cb 0.00 -0.02 0.00 0.00 0.35 0.00 0.00 39.48 39.81 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 -1.64 -0.37 0.00 -4.13 1.02 -1.26 -3.98 120.64 110.28 1sgo n GLU 26 Ca -0.00 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1sgo n GLU 26 Cb 0.13 -3.60 0.00 0.00 -0.02 0.00 0.00 31.44 27.96 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 -1.68 1.63 3.65 0.62 0.00 -1.26 -4.95 105.19 103.19 1sgo n GLY 27 Ca 0.00 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1sgo n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sgo s THR 28 N -0.20 3.96 -0.83 2.61 2.01 -1.26 -4.96 115.64 116.98 1sgo s THR 28 Ca 0.00 1.13 -0.19 0.00 0.31 0.00 0.00 61.69 62.94 1sgo s THR 28 Cb 0.00 -3.84 0.12 0.00 0.01 0.00 0.00 72.50 68.80 1sgo s THR 28 CO 0.00 -0.22 1.02 -0.62 -0.69 0.00 0.00 174.62 174.11 1sgo s ASP 29 N 2.96 6.50 -0.05 3.53 2.15 -1.26 -4.73 116.67 125.78 1sgo s ASP 29 Ca 0.63 -1.84 0.07 0.00 0.43 0.00 0.00 52.55 51.84 1sgo s ASP 29 Cb -0.24 -2.37 0.11 0.00 -0.30 0.00 0.00 42.92 40.11 1sgo s ASP 29 CO 0.23 -1.10 1.02 1.15 -0.17 0.00 0.00 175.17 176.30 1sgo n MET 30 N 6.51 0.65 -2.68 4.34 0.00 -1.26 -5.04 117.12 119.63 1sgo n MET 30 Ca 0.14 -1.58 -0.43 0.00 0.00 0.00 0.00 57.70 55.84 1sgo n MET 30 Cb 0.47 -0.90 -0.02 0.00 0.00 0.00 0.00 33.22 32.77 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 -1.12 3.99 -0.30 3.17 -2.85 -1.26 -5.01 119.74 116.36 1sgo s LYS 31 Ca 0.12 0.92 -0.22 0.00 -1.00 0.00 0.00 55.97 55.79 1sgo s LYS 31 Cb 0.10 -3.76 -0.01 0.00 -2.06 0.00 0.00 37.83 32.10 1sgo s LYS 31 CO 0.01 -0.94 0.70 0.34 0.10 0.00 0.00 175.35 175.55 1sgo s ASP 32 N 1.77 6.58 0.48 0.03 2.15 -1.26 -4.53 116.67 121.89 1sgo s ASP 32 Ca 0.44 0.57 0.27 0.00 0.43 0.00 0.00 52.55 54.25 1sgo s ASP 32 Cb -0.12 -2.36 1.14 0.00 -0.30 0.00 0.00 42.92 41.27 1sgo s ASP 32 CO 0.17 -0.52 1.91 -0.03 -0.17 0.00 0.00 175.17 176.54 1sgo h MET 33 N 8.11 0.00 -0.04 4.34 1.85 -1.17 -0.75 114.93 127.28 1sgo h MET 33 Ca -0.26 0.00 -0.11 0.00 -0.61 0.00 0.00 59.70 58.72 1sgo h MET 33 Cb 1.11 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.13 1sgo h MET 33 CO 0.83 0.16 -0.49 -0.09 -0.40 0.00 0.00 176.91 176.92 1sgo h ARG 34 N 0.00 0.09 0.23 0.39 2.43 -1.86 -0.23 114.38 115.44 1sgo h ARG 34 Ca -0.00 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1sgo h ARG 34 Cb 0.61 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1sgo h ARG 34 CO 0.02 0.56 -0.11 1.25 -1.51 0.00 0.00 179.97 180.18 1sgo h LEU 35 N 0.07 -0.27 -2.07 3.80 5.85 -1.54 -2.29 115.31 118.86 1sgo h LEU 35 Ca 0.00 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.55 1sgo h LEU 35 Cb 0.89 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 1sgo h LEU 35 CO 0.07 0.09 0.11 -0.33 -0.34 0.00 0.00 178.44 178.04 1sgo h GLU 36 N -0.65 0.00 -0.14 1.25 4.39 -1.32 -1.77 114.58 116.33 1sgo h GLU 36 Ca -0.03 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1sgo h GLU 36 Cb 0.46 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1sgo h GLU 36 CO 0.05 0.00 0.01 0.00 -1.16 0.00 0.00 179.01 177.92 1sgo h ALA 37 N 1.91 0.19 -0.84 3.43 0.00 -0.84 -0.80 119.26 122.32 1sgo h ALA 37 Ca 0.07 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.92 1sgo h ALA 37 Cb 0.29 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1sgo h ALA 37 CO -0.00 -0.13 0.54 0.93 0.00 0.00 0.00 179.25 180.59 1sgo h GLU 38 N 0.01 0.68 0.18 0.00 4.39 -0.75 0.15 114.58 119.23 1sgo h GLU 38 Ca 0.04 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1sgo h GLU 38 Cb 0.33 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1sgo h GLU 38 CO 0.00 0.45 -0.08 0.00 -1.16 0.00 0.00 179.01 178.22 1sgo h ALA 39 N 1.60 -0.24 -0.65 3.43 0.00 -1.17 -3.28 119.26 118.96 1sgo h ALA 39 Ca 0.40 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1sgo h ALA 39 Cb 0.59 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1sgo h ALA 39 CO -0.17 -0.40 0.40 0.28 0.00 0.00 0.00 179.25 179.37 1sgo h VAL 40 N -0.71 1.18 -0.58 0.00 2.07 -0.66 -2.40 116.25 115.16 1sgo h VAL 40 Ca -0.02 -0.39 0.10 0.00 0.82 0.00 0.00 66.70 67.20 1sgo h VAL 40 Cb 0.50 0.27 -0.07 0.00 -1.52 0.00 0.00 31.29 30.47 1sgo h VAL 40 CO 0.04 0.19 0.18 0.58 0.02 0.00 0.00 177.57 178.57 1sgo h VAL 41 N 0.88 0.73 -0.01 2.57 2.07 -1.09 -1.47 116.25 119.93 1sgo h VAL 41 Ca 0.23 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1sgo h VAL 41 Cb -0.05 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1sgo h VAL 41 CO -0.05 0.06 -0.10 -3.20 0.02 0.00 0.00 177.57 174.31 1sgo n ASN 42 N -5.05 1.56 0.01 0.57 5.15 -1.13 -2.87 115.26 113.50 1sgo n ASN 42 Ca 0.08 -1.38 -0.22 0.00 -0.60 0.00 0.00 54.58 52.46 1sgo n ASN 42 Cb 0.28 0.06 -0.14 0.00 -0.53 0.00 0.00 39.78 39.45 1sgo n ASN 42 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 1sgo h ASP 43 N 2.29 0.42 -0.15 1.20 3.58 -0.76 -3.39 116.42 119.61 1sgo h ASP 43 Ca 0.00 -0.89 0.00 0.00 0.42 0.00 0.00 57.03 56.56 1sgo h ASP 43 Cb 0.57 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.48 1sgo h ASP 43 CO 0.00 1.77 0.00 1.33 -2.88 0.00 0.00 179.24 179.46 1sgo n VAL 44 N -3.69 1.44 -0.26 2.25 0.24 -1.00 -4.73 118.33 112.59 1sgo n VAL 44 Ca -0.29 -1.44 0.04 0.00 -2.04 0.00 0.00 64.34 60.61 1sgo n VAL 44 Cb 0.99 0.19 0.27 0.00 -1.47 0.00 0.00 33.84 33.83 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 0.94 0.83 0.00 1.34 6.46 -1.73 -1.95 115.31 121.21 1sgo h LEU 45 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1sgo h LEU 45 Cb 0.86 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.61 1sgo h LEU 45 CO 0.05 0.54 0.00 2.22 -0.62 0.00 0.00 178.44 180.63 1sgo n PHE 46 N -4.48 0.00 0.17 1.25 1.16 -1.26 -1.58 117.46 112.72 1sgo n PHE 46 Ca 0.12 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.82 1sgo n PHE 46 Cb 0.18 -0.01 0.01 0.00 -1.61 0.00 0.00 39.48 38.05 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 -1.01 2.64 -3.60 1.98 0.00 -0.73 -4.84 120.51 114.95 1sgo n ALA 47 Ca 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1sgo n ALA 47 Cb 0.08 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -2.55 0.00 -0.06 0.00 0.24 -0.62 -4.59 118.33 110.76 1sgo n VAL 48 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.23 1sgo n VAL 48 Cb 0.53 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.84 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 0.00 0.00 -4.75 -1.34 -1.24 -1.15 -3.45 115.58 103.65 1sgo h ASN 49 Ca 0.00 -0.45 0.01 0.00 0.71 0.00 0.00 56.30 56.57 1sgo h ASN 49 Cb 0.00 0.00 -0.17 0.00 0.73 0.00 0.00 38.32 38.88 1sgo h ASN 49 CO 0.00 0.77 0.33 0.21 -1.29 0.00 0.00 177.43 177.45 1sgo s ASN 50 N -5.90 -0.52 0.01 1.15 2.47 -1.06 -4.95 114.94 106.14 1sgo s ASN 50 Ca -0.10 0.32 0.02 0.00 0.42 0.00 0.00 52.86 53.52 1sgo s ASN 50 Cb -0.01 0.48 -0.01 0.00 -1.45 0.00 0.00 41.25 40.26 1sgo s ASN 50 CO 0.33 -0.65 -0.07 -0.04 -3.72 0.00 0.00 177.10 172.95 1sgo s MET 51 N -2.24 0.54 -0.20 0.43 -1.94 -1.26 -0.40 119.30 114.23 1sgo s MET 51 Ca -0.03 -0.35 -0.17 0.00 -1.71 0.00 0.00 55.69 53.43 1sgo s MET 51 Cb -0.01 -0.49 0.05 0.00 2.01 0.00 0.00 34.83 36.40 1sgo s MET 51 CO -0.02 0.13 0.52 0.12 -0.01 0.00 0.00 175.02 175.76 1sgo s PHE 52 N -0.40 -0.61 0.31 -0.03 5.36 0.19 -5.01 117.98 117.80 1sgo s PHE 52 Ca 0.00 1.43 -0.29 0.00 -0.96 0.00 0.00 56.93 57.11 1sgo s PHE 52 Cb -0.04 0.23 -0.10 0.00 -0.34 0.00 0.00 43.02 42.77 1sgo s PHE 52 CO -0.00 -0.30 1.39 0.54 -1.46 0.00 0.00 175.22 175.39 1sgo s VAL 53 N 0.49 2.57 -0.33 3.12 0.11 -1.26 -0.17 120.40 124.93 1sgo s VAL 53 Ca -0.02 0.54 -0.29 0.00 -2.93 0.00 0.00 61.98 59.28 1sgo s VAL 53 Cb -0.04 -3.34 -0.01 0.00 -1.53 0.00 0.00 36.38 31.46 1sgo s VAL 53 CO -0.02 0.11 1.50 -0.44 -3.33 0.00 0.00 175.10 172.93 1sgo s SER 54 N -0.14 6.35 0.09 3.54 0.01 0.48 -4.76 113.70 119.26 1sgo s SER 54 Ca 0.53 1.18 0.25 0.00 1.31 0.00 0.00 55.95 59.23 1sgo s SER 54 Cb -0.42 -2.54 0.57 0.00 0.21 0.00 0.00 66.02 63.84 1sgo s SER 54 CO 0.52 -1.36 1.49 1.17 0.41 0.00 0.00 173.24 175.47 1sgo n LYS 55 N 7.87 0.18 -0.06 12.44 0.00 -1.26 -3.88 118.16 133.44 1sgo n LYS 55 Ca 0.18 0.07 0.11 0.00 0.00 0.00 0.00 58.31 58.67 1sgo n LYS 55 Cb 0.47 -1.63 0.41 0.00 0.00 0.00 0.00 35.03 34.27 1sgo n LYS 55 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1sgo n SER 56 N -1.90 1.66 0.00 3.14 7.64 -1.26 -4.69 113.62 118.22 1sgo n SER 56 Ca 0.05 -1.67 0.00 0.00 1.01 0.00 0.00 58.87 58.26 1sgo n SER 56 Cb 0.40 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 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 0.31 0.00 -3.51 -3.43 4.32 -1.25 -5.12 117.00 108.32 1sgo n LEU 57 Ca 0.17 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 56.06 1sgo n LEU 57 Cb 0.34 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.11 1sgo n LEU 57 CO 0.14 0.00 0.67 0.00 -1.22 0.00 0.00 177.39 176.98 1sgo s ARG 58 N 1.04 0.83 -0.50 3.23 1.70 -1.26 -5.09 118.95 118.89 1sgo s ARG 58 Ca 0.00 -0.22 0.06 0.00 -0.47 0.00 0.00 55.73 55.10 1sgo s ARG 58 Cb 0.00 0.38 0.22 0.00 -0.57 0.00 0.00 34.95 34.98 1sgo s ARG 58 CO 0.00 -0.35 0.81 0.00 -1.08 0.00 0.00 175.30 174.69 1sgo h ALA 60 N 4.39 0.03 -1.91 0.00 0.00 -1.98 -3.47 119.26 116.32 1sgo h ALA 60 Ca -0.06 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1sgo h ALA 60 Cb 1.05 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1sgo h ALA 60 CO 0.22 0.14 0.00 -0.40 0.00 0.00 0.00 179.25 179.21 1sgo n ASP 61 N -4.64 0.00 0.03 0.00 5.68 -1.26 -4.97 116.55 111.39 1sgo n ASP 61 Ca -0.09 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.31 1sgo n ASP 61 Cb 0.33 0.10 -0.01 0.00 -1.14 0.00 0.00 41.12 40.40 1sgo n ASP 61 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1sgo n ASP 62 N -1.54 0.58 -4.58 -1.12 2.03 -1.26 -0.64 116.55 110.01 1sgo n ASP 62 Ca 0.00 -0.15 -0.34 0.00 0.52 0.00 0.00 54.79 54.82 1sgo n ASP 62 Cb 0.00 0.91 -0.11 0.00 -0.72 0.00 0.00 41.12 41.21 1sgo n ASP 62 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1sgo s VAL 63 N -3.25 4.50 -0.12 5.18 0.11 -1.26 -3.91 120.40 121.66 1sgo s VAL 63 Ca 0.02 -0.13 -0.05 0.00 -2.93 0.00 0.00 61.98 58.88 1sgo s VAL 63 Cb 0.14 -3.03 0.06 0.00 -1.53 0.00 0.00 36.38 32.02 1sgo s VAL 63 CO 0.82 0.45 0.26 0.00 -3.33 0.00 0.00 175.10 173.30 1sgo s ALA 64 N 0.51 -0.57 -0.13 1.54 0.00 -0.46 -3.32 121.76 119.32 1sgo s ALA 64 Ca 0.01 0.98 -0.17 0.00 0.00 0.00 0.00 51.96 52.79 1sgo s ALA 64 Cb -0.13 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 1sgo s ALA 64 CO 0.01 -0.46 0.42 0.71 0.00 0.00 0.00 175.76 176.45 1sgo s TYR 65 N 1.94 3.49 -0.10 0.00 1.51 -1.25 -0.67 117.35 122.28 1sgo s TYR 65 Ca -0.03 0.80 0.04 0.00 -1.01 0.00 0.00 57.07 56.86 1sgo s TYR 65 Cb -0.11 -2.49 -0.00 0.00 -0.11 0.00 0.00 41.96 39.25 1sgo s TYR 65 CO -0.09 0.18 -0.23 0.42 -1.11 0.00 0.00 175.55 174.73 1sgo s ILE 66 N 0.60 2.15 -0.10 2.71 1.01 0.58 -0.39 121.20 127.76 1sgo s ILE 66 Ca 0.23 -0.99 -0.22 0.00 0.00 0.00 0.00 60.65 59.68 1sgo s ILE 66 Cb -0.14 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 1sgo s ILE 66 CO 0.08 0.56 0.63 0.20 0.00 0.00 0.00 174.94 176.41 1sgo s ASN 67 N 0.36 6.87 -0.12 3.58 0.01 0.76 -0.35 114.94 126.05 1sgo s ASN 67 Ca -0.18 1.04 -0.00 0.00 -0.71 0.00 0.00 52.86 53.01 1sgo s ASN 67 Cb -0.18 -2.37 0.02 0.00 0.41 0.00 0.00 41.25 39.14 1sgo s ASN 67 CO 0.08 -0.10 -0.09 0.54 -1.51 0.00 0.00 177.10 176.02 1sgo s VAL 68 N 0.90 1.15 -0.37 1.60 0.11 0.48 -0.63 120.40 123.63 1sgo s VAL 68 Ca 0.33 -0.37 -0.12 0.00 -2.93 0.00 0.00 61.98 58.90 1sgo s VAL 68 Cb -0.17 -1.14 0.02 0.00 -1.53 0.00 0.00 36.38 33.56 1sgo s VAL 68 CO 0.15 0.39 0.22 -0.70 -3.33 0.00 0.00 175.10 171.83 1sgo s GLU 69 N 1.66 3.00 1.21 1.54 2.12 0.46 -0.37 118.70 128.32 1sgo s GLU 69 Ca 0.05 -0.97 -0.20 0.00 0.36 0.00 0.00 54.97 54.21 1sgo s GLU 69 Cb -0.13 -3.77 0.29 0.00 0.26 0.00 0.00 34.13 30.78 1sgo s GLU 69 CO -0.09 -0.64 1.13 0.95 -0.54 0.00 0.00 175.26 176.07 1sgo s THR 70 N 1.61 1.59 -0.80 -1.70 -4.23 -1.01 -0.95 115.64 110.15 1sgo s THR 70 Ca 0.04 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 60.66 1sgo s THR 70 Cb -0.19 -2.53 0.11 0.00 1.34 0.00 0.00 72.50 71.23 1sgo s THR 70 CO 0.08 0.00 1.37 0.29 -0.54 0.00 0.00 174.62 175.82 1sgo n LYS 71 N -4.74 0.05 0.16 3.99 5.02 -1.26 -0.80 118.16 120.58 1sgo n LYS 71 Ca 0.14 0.42 0.13 0.00 -2.02 0.00 0.00 58.31 56.99 1sgo n LYS 71 Cb 0.60 -1.63 0.47 0.00 -0.02 0.00 0.00 35.03 34.46 1sgo n LYS 71 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1sgo h GLU 72 N 0.00 0.00 -0.30 1.97 5.08 -1.99 -3.46 114.58 115.88 1sgo h GLU 72 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1sgo h GLU 72 Cb 0.14 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1sgo h GLU 72 CO 0.00 0.00 -0.12 0.54 -1.00 0.00 0.00 179.01 178.43 1sgo n ARG 73 N -2.52 -0.77 -3.71 2.33 3.00 0.02 -5.01 116.66 110.00 1sgo n ARG 73 Ca 0.03 0.62 -0.36 0.00 -0.01 0.00 0.00 57.85 58.13 1sgo n ARG 73 Cb 0.33 -4.46 -0.07 0.00 0.00 0.00 0.00 32.46 28.26 1sgo n ARG 73 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1sgo s ASN 74 N -2.58 6.41 -0.04 0.55 2.47 -1.26 -4.91 114.94 115.58 1sgo s ASN 74 Ca 0.00 0.48 -0.09 0.00 0.42 0.00 0.00 52.86 53.68 1sgo s ASN 74 Cb 0.00 -2.12 -0.05 0.00 -1.45 0.00 0.00 41.25 37.63 1sgo s ASN 74 CO 0.00 0.27 0.26 -0.13 -3.72 0.00 0.00 177.10 173.78 1sgo s ARG 75 N -0.35 3.61 0.01 0.43 3.00 -1.26 -2.41 118.95 121.98 1sgo s ARG 75 Ca 0.15 0.02 0.05 0.00 0.00 0.00 0.00 55.73 55.96 1sgo s ARG 75 Cb -0.13 -3.15 -0.02 0.00 0.00 0.00 0.00 34.95 31.66 1sgo s ARG 75 CO 0.04 0.71 -0.17 0.71 0.00 0.00 0.00 175.30 176.58 1sgo s TYR 76 N -1.15 1.50 -0.26 -0.53 2.02 0.50 -1.17 117.35 118.26 1sgo s TYR 76 Ca 0.22 -0.31 -0.09 0.00 -0.37 0.00 0.00 57.07 56.52 1sgo s TYR 76 Cb -0.14 -0.94 -0.04 0.00 -0.40 0.00 0.00 41.96 40.45 1sgo s TYR 76 CO 0.11 0.01 0.11 0.00 -1.57 0.00 0.00 175.55 174.22 1sgo s LEU 78 N 1.66 3.37 -0.66 0.00 1.43 0.53 -1.23 118.68 123.77 1sgo s LEU 78 Ca 0.07 -0.06 -0.19 0.00 -1.03 0.00 0.00 54.13 52.92 1sgo s LEU 78 Cb -0.15 -1.81 0.11 0.00 0.03 0.00 0.00 46.19 44.37 1sgo s LEU 78 CO 0.06 0.21 0.79 -0.70 0.23 0.00 0.00 176.35 176.95 1sgo s GLU 79 N 0.14 3.17 -0.21 1.70 2.12 0.90 -0.31 118.70 126.21 1sgo s GLU 79 Ca -0.00 -1.43 -0.25 0.00 0.36 0.00 0.00 54.97 53.65 1sgo s GLU 79 Cb -0.13 -4.36 -0.01 0.00 0.26 0.00 0.00 34.13 29.89 1sgo s GLU 79 CO 0.02 -1.58 0.85 -1.17 -0.54 0.00 0.00 175.26 172.84 1sgo s LEU 80 N 2.62 4.12 0.33 2.70 2.96 0.16 -1.74 118.68 129.83 1sgo s LEU 80 Ca 0.16 1.13 0.03 0.00 -0.22 0.00 0.00 54.13 55.23 1sgo s LEU 80 Cb -0.20 -3.24 -0.02 0.00 0.50 0.00 0.00 46.19 43.23 1sgo s LEU 80 CO 0.03 -0.49 0.34 0.42 -1.32 0.00 0.00 176.35 175.34 1sgo s THR 81 N 2.61 0.00 0.45 3.68 -4.23 -0.24 -1.35 115.64 116.55 1sgo s THR 81 Ca 0.37 -1.85 0.16 0.00 -1.18 0.00 0.00 61.69 59.19 1sgo s THR 81 Cb -0.16 -2.55 0.34 0.00 1.34 0.00 0.00 72.50 71.47 1sgo s THR 81 CO 0.09 0.00 1.99 -0.08 -0.54 0.00 0.00 174.62 176.08 1sgo h GLU 82 N 2.15 0.32 0.00 3.99 4.81 -1.96 -0.48 114.58 123.42 1sgo h GLU 82 Ca -0.27 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1sgo h GLU 82 Cb 1.24 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1sgo h GLU 82 CO 0.38 0.21 0.00 0.00 -0.73 0.00 0.00 179.01 178.87 1sgo n ALA 83 N -2.54 2.40 0.00 2.92 0.00 -1.26 -5.02 120.51 117.02 1sgo n ALA 83 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1sgo n ALA 83 Cb 0.40 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 1.31 0.54 3.66 0.00 0.00 -0.19 -4.59 105.19 105.92 1sgo n GLY 84 Ca 0.11 -2.28 -0.35 0.00 0.00 0.00 0.00 46.02 43.50 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 4.02 0.07 0.99 1.02 0.47 -1.08 118.68 124.17 1sgo s LEU 85 Ca 0.00 0.12 0.08 0.00 0.02 0.00 0.00 54.13 54.35 1sgo s LEU 85 Cb 0.00 -2.05 -0.03 0.00 0.02 0.00 0.00 46.19 44.13 1sgo s LEU 85 CO 0.00 0.12 -0.20 -0.75 0.02 0.00 0.00 176.35 175.54 1sgo s LYS 86 N 0.70 1.90 -0.35 1.70 2.20 -0.71 -0.71 119.74 124.48 1sgo s LYS 86 Ca 0.06 -1.08 -0.20 0.00 -0.36 0.00 0.00 55.97 54.39 1sgo s LYS 86 Cb -0.13 -2.12 0.00 0.00 -1.51 0.00 0.00 37.83 34.08 1sgo s LYS 86 CO 0.01 0.51 0.63 0.08 -0.36 0.00 0.00 175.35 176.23 1sgo s VAL 87 N -0.98 4.90 -0.28 4.02 1.01 -1.26 -0.07 120.40 127.73 1sgo s VAL 87 Ca 0.15 0.63 0.03 0.00 0.00 0.00 0.00 61.98 62.79 1sgo s VAL 87 Cb -0.10 -4.06 0.08 0.00 0.00 0.00 0.00 36.38 32.29 1sgo s VAL 87 CO 0.06 -0.28 1.02 1.33 0.00 0.00 0.00 175.10 177.22 1sgo n VAL 88 N 5.55 0.88 0.00 2.92 0.24 -0.37 -4.73 118.33 122.83 1sgo n VAL 88 Ca -0.01 -0.94 0.00 0.00 -2.04 0.00 0.00 64.34 61.35 1sgo n VAL 88 Cb 0.49 0.57 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 1sgo n VAL 88 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sgo n GLY 89 N -0.16 2.21 2.65 7.63 0.00 -1.21 -0.10 105.19 116.20 1sgo n GLY 89 Ca 0.03 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 1sgo n GLY 89 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1sgo n TYR 90 N -0.64 2.89 -2.98 1.61 0.18 -1.26 -0.40 117.16 116.56 1sgo n TYR 90 Ca 0.00 -3.96 0.00 0.00 1.88 0.00 0.00 57.90 55.82 1sgo n TYR 90 Cb 0.00 -0.48 0.00 0.00 -0.38 0.00 0.00 39.34 38.48 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 0.15 0.00 -2.68 -3.48 0.00 -0.32 -4.68 120.51 109.50 1sgo n ALA 91 Ca 0.29 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.29 1sgo n ALA 91 Cb 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.84 1sgo n ALA 91 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1sgo s PHE 92 N -8.35 3.14 -0.85 0.00 5.36 -1.26 -3.82 117.98 112.19 1sgo s PHE 92 Ca 0.00 -0.56 -0.03 0.00 -0.96 0.00 0.00 56.93 55.37 1sgo s PHE 92 Cb 0.00 -3.21 0.00 0.00 -0.34 0.00 0.00 43.02 39.47 1sgo s PHE 92 CO 0.00 -0.85 0.73 -0.25 -1.46 0.00 0.00 175.22 173.39 1sgo n ASP 93 N 5.73 -3.62 -4.05 6.13 9.92 -1.26 -5.04 116.55 124.36 1sgo n ASP 93 Ca -0.08 -0.38 -0.23 0.00 -0.53 0.00 0.00 54.79 53.56 1sgo n ASP 93 Cb 0.46 -3.54 -0.16 0.00 -0.64 0.00 0.00 41.12 37.24 1sgo n ASP 93 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1sgo s GLN 94 N -5.44 1.44 -0.30 -1.24 0.74 -1.26 -4.95 119.66 108.65 1sgo s GLN 94 Ca 0.22 -0.43 0.02 0.00 0.05 0.00 0.00 55.36 55.22 1sgo s GLN 94 Cb -0.09 -1.25 0.09 0.00 1.10 0.00 0.00 33.01 32.85 1sgo s GLN 94 CO 0.48 0.12 0.03 0.08 -0.55 0.00 0.00 175.29 175.46 1sgo s VAL 95 N 0.30 1.68 0.55 1.34 1.01 -1.26 -4.13 120.40 119.89 1sgo s VAL 95 Ca -0.07 -1.77 -0.10 0.00 0.00 0.00 0.00 61.98 60.04 1sgo s VAL 95 Cb -0.12 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 1sgo s VAL 95 CO 0.02 -0.48 0.94 -1.81 0.00 0.00 0.00 175.10 173.77 1sgo s ASP 96 N 1.24 6.31 -0.19 3.32 1.01 0.85 -4.95 116.67 124.27 1sgo s ASP 96 Ca 0.06 1.29 0.14 0.00 0.71 0.00 0.00 52.55 54.74 1sgo s ASP 96 Cb -0.18 -2.41 -0.21 0.00 1.01 0.00 0.00 42.92 41.13 1sgo s ASP 96 CO -0.13 -0.72 0.01 -0.67 0.21 0.00 0.00 175.17 173.88 1sgo n ASP 97 N -2.35 0.81 -0.06 0.27 2.03 -1.26 -4.48 116.55 111.51 1sgo n ASP 97 Ca 0.04 -0.02 0.15 0.00 0.52 0.00 0.00 54.79 55.48 1sgo n ASP 97 Cb 0.54 0.70 0.75 0.00 -0.72 0.00 0.00 41.12 42.39 1sgo n ASP 97 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1sgo n HIS 98 N -2.77 0.00 -2.48 -0.67 8.25 -1.26 -4.63 115.22 111.66 1sgo n HIS 98 Ca -0.32 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.73 1sgo n HIS 98 Cb 1.07 -0.16 -0.03 0.00 1.12 0.00 0.00 29.99 31.99 1sgo n HIS 98 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1sgo s LEU 99 N -2.36 3.26 -0.83 2.41 1.02 -1.26 -4.93 118.68 115.98 1sgo s LEU 99 Ca 0.34 -0.15 -0.09 0.00 0.02 0.00 0.00 54.13 54.25 1sgo s LEU 99 Cb 0.21 -2.75 0.21 0.00 0.02 0.00 0.00 46.19 43.88 1sgo s LEU 99 CO 0.44 -1.81 0.74 -1.58 0.02 0.00 0.00 176.35 174.16 1sgo s GLN 100 N 5.69 3.41 -0.00 1.70 2.00 -1.26 -4.93 119.66 126.26 1sgo s GLN 100 Ca 0.42 -2.71 0.05 0.00 -2.00 0.00 0.00 55.36 51.13 1sgo s GLN 100 Cb -0.09 -4.22 -0.02 0.00 0.80 0.00 0.00 33.01 29.49 1sgo s GLN 100 CO 0.19 -1.25 -0.17 -0.08 -0.50 0.00 0.00 175.29 173.48 1sgo s THR 101 N -0.32 1.35 1.00 -0.34 -1.32 -1.26 -5.15 115.64 109.59 1sgo s THR 101 Ca 0.21 -0.81 -0.12 0.00 -1.21 0.00 0.00 61.69 59.76 1sgo s THR 101 Cb -0.12 -1.14 0.19 0.00 -1.51 0.00 0.00 72.50 69.92 1sgo s THR 101 CO -0.08 0.31 1.09 -2.16 -2.21 0.00 0.00 174.62 171.58 1sgo s PRO 102 N -0.57 0.44 0.23 7.08 0.04 -1.26 -4.71 135.00 136.24 1sgo s PRO 102 Ca 0.06 0.53 -0.05 0.00 0.04 0.00 0.00 61.00 61.58 1sgo s PRO 102 Cb -0.07 -1.74 -0.06 0.00 0.04 0.00 0.00 34.50 32.68 1sgo s PRO 102 CO -0.00 -2.73 0.48 1.52 0.04 0.00 0.00 177.00 176.31 1sgo s TYR 103 N -2.96 3.47 -0.04 0.56 -0.85 -1.26 -4.64 117.35 111.63 1sgo s TYR 103 Ca 0.65 0.62 0.03 0.00 -0.52 0.00 0.00 57.07 57.85 1sgo s TYR 103 Cb -0.19 -2.07 -0.03 0.00 0.38 0.00 0.00 41.96 40.05 1sgo s TYR 103 CO 0.58 0.29 -0.10 -1.01 -1.52 0.00 0.00 175.55 173.79 1sgo s HIS 104 N -1.89 2.83 0.03 -3.49 3.76 0.12 -4.83 115.29 111.82 1sgo s HIS 104 Ca 0.43 -0.06 -0.27 0.00 -0.15 0.00 0.00 55.06 55.01 1sgo s HIS 104 Cb -0.11 -1.64 -0.15 0.00 1.11 0.00 0.00 32.58 31.79 1sgo s HIS 104 CO 0.27 0.30 1.26 1.49 -0.85 0.00 0.00 174.74 177.20 1sgo h GLU 105 N 5.04 -0.93 -5.70 1.40 4.81 -1.88 0.14 114.58 117.45 1sgo h GLU 105 Ca -0.48 0.06 -0.66 0.00 -0.13 0.00 0.00 59.36 58.15 1sgo h GLU 105 Cb 1.16 0.21 -0.07 0.00 0.63 0.00 0.00 28.75 30.69 1sgo h GLU 105 CO 0.52 -0.62 -0.49 0.95 -0.73 0.00 0.00 179.01 178.63 1sgo s THR 106 N -4.90 5.43 0.46 0.32 -4.23 -1.26 -4.53 115.64 106.94 1sgo s THR 106 Ca -0.14 0.10 0.27 0.00 -1.18 0.00 0.00 61.69 60.74 1sgo s THR 106 Cb 0.01 -3.40 0.30 0.00 1.34 0.00 0.00 72.50 70.75 1sgo s THR 106 CO 0.42 0.55 2.12 1.62 -0.54 0.00 0.00 174.62 178.79 1sgo h VAL 107 N 3.72 0.60 0.41 2.29 3.04 -1.99 -2.54 116.25 121.77 1sgo h VAL 107 Ca -0.53 -0.39 -0.02 0.00 -1.01 0.00 0.00 66.70 64.74 1sgo h VAL 107 Cb 1.22 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 31.75 1sgo h VAL 107 CO 0.60 0.09 -0.20 1.88 -1.01 0.00 0.00 177.57 178.94 1sgo h TYR 108 N 0.00 -0.51 -0.76 3.17 0.05 -1.98 0.28 116.97 117.22 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 0.24 0.17 -0.04 0.00 1.01 0.00 0.00 36.73 38.12 1sgo h TYR 108 CO 0.00 -0.25 0.39 0.77 -1.05 0.00 0.00 178.16 178.02 1sgo h SER 109 N -0.67 0.95 0.54 3.88 0.02 -1.94 -1.96 113.55 114.37 1sgo h SER 109 Ca -0.06 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 1sgo h SER 109 Cb 0.49 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 62.79 1sgo h SER 109 CO 0.09 0.78 -0.26 0.25 -1.14 0.00 0.00 176.83 176.56 1sgo h LEU 110 N 1.06 -0.62 -1.38 5.07 5.85 -1.21 -1.28 115.31 122.80 1sgo h LEU 110 Ca 0.27 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 1sgo h LEU 110 Cb 0.06 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1sgo h LEU 110 CO -0.04 -0.31 -0.24 0.25 -0.34 0.00 0.00 178.44 177.76 1sgo h LEU 111 N -0.92 0.00 0.02 2.25 5.85 -0.90 -1.91 115.31 119.71 1sgo h LEU 111 Ca -0.07 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.42 1sgo h LEU 111 Cb 0.62 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1sgo h LEU 111 CO 0.12 0.24 -1.14 -0.78 -0.34 0.00 0.00 178.44 176.54 1sgo h ASP 112 N 0.00 0.05 0.35 1.25 3.58 -1.32 0.13 116.42 120.47 1sgo h ASP 112 Ca -0.00 -0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.33 1sgo h ASP 112 Cb 0.62 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 1sgo h ASP 112 CO 0.03 1.05 -0.26 0.74 -2.88 0.00 0.00 179.24 177.92 1sgo h THR 113 N 0.01 1.03 0.00 2.25 2.02 -0.72 -3.35 112.91 114.16 1sgo h THR 113 Ca -0.07 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1sgo h THR 113 Cb 1.83 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.76 1sgo h THR 113 CO 0.13 0.25 -0.20 -0.07 0.37 0.00 0.00 175.52 176.00 1sgo h LEU 114 N 0.00 0.00 -8.07 2.58 3.38 -0.62 -3.45 115.31 109.12 1sgo h LEU 114 Ca -0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 1sgo h LEU 114 Cb 0.50 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 40.93 1sgo h LEU 114 CO 0.03 0.44 -0.67 -0.94 0.09 0.00 0.00 178.44 177.40 1sgo s SER 115 N -4.92 5.01 0.33 -0.43 1.04 0.40 -4.95 113.70 110.18 1sgo s SER 115 Ca -0.06 -1.26 0.23 0.00 0.48 0.00 0.00 55.95 55.34 1sgo s SER 115 Cb 0.01 -1.76 1.22 0.00 0.10 0.00 0.00 66.02 65.59 1sgo s SER 115 CO 0.09 -0.29 1.71 -0.65 0.98 0.00 0.00 173.24 175.08 1sgo h PRO 116 N 8.06 0.00 0.00 4.02 0.11 -1.84 -0.87 132.00 141.48 1sgo h PRO 116 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1sgo h PRO 116 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1sgo h PRO 116 CO 0.56 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.35 1sgo n ALA 117 N -1.80 1.34 -0.07 -0.75 0.00 -1.26 -2.53 120.51 115.44 1sgo n ALA 117 Ca -0.01 0.05 -0.07 0.00 0.00 0.00 0.00 53.44 53.41 1sgo n ALA 117 Cb 0.06 -1.23 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 1sgo n ALA 117 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1sgo h TYR 118 N 0.00 -0.01 -0.73 0.00 5.03 -1.40 -0.98 116.97 118.88 1sgo h TYR 118 Ca 0.00 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.28 1sgo h TYR 118 Cb 0.15 0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.45 1sgo h TYR 118 CO 0.00 -0.05 0.28 0.00 -1.32 0.00 0.00 178.16 177.07 1sgo h ARG 119 N 0.08 1.10 -0.42 1.82 2.47 -1.74 -1.52 114.38 116.18 1sgo h ARG 119 Ca 0.13 -0.21 -0.14 0.00 -1.26 0.00 0.00 59.98 58.50 1sgo h ARG 119 Cb 0.17 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 1sgo h ARG 119 CO -0.22 0.91 -0.30 1.49 0.56 0.00 0.00 179.97 182.41 1sgo h GLU 120 N 1.06 0.94 -0.08 0.04 4.57 -1.60 -1.52 114.58 117.99 1sgo h GLU 120 Ca 0.24 -0.46 -0.06 0.00 -1.18 0.00 0.00 59.36 57.91 1sgo h GLU 120 Cb 0.23 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1sgo h GLU 120 CO -0.02 1.12 -0.18 0.00 -1.18 0.00 0.00 179.01 178.75 1sgo h ALA 121 N 0.81 0.13 -0.62 2.92 0.00 -1.08 -3.07 119.26 118.35 1sgo h ALA 121 Ca 0.08 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1sgo h ALA 121 Cb 0.89 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1sgo h ALA 121 CO 0.08 0.06 0.21 0.35 0.00 0.00 0.00 179.25 179.95 1sgo h PHE 122 N -0.21 0.95 -0.20 0.00 3.57 -1.28 -2.79 116.94 116.98 1sgo h PHE 122 Ca -0.00 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 1sgo h PHE 122 Cb 0.78 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1sgo h PHE 122 CO 0.11 0.75 0.11 0.78 -2.23 0.00 0.00 178.31 177.83 1sgo h GLY 123 N 1.02 0.30 2.00 2.40 0.00 -1.31 -2.50 103.07 104.97 1sgo h GLY 123 Ca 0.21 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 1sgo h GLY 123 CO -0.01 0.13 -0.21 3.43 0.00 0.00 0.00 176.54 179.88 1sgo h ASN 124 N 0.21 0.00 -0.01 0.19 4.21 -1.41 0.01 115.58 118.77 1sgo h ASN 124 Ca 0.07 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.49 1sgo h ASN 124 Cb 0.08 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.29 1sgo h ASN 124 CO -0.01 0.21 -0.34 0.00 -1.29 0.00 0.00 177.43 176.00 1sgo h ALA 125 N 1.79 0.06 0.00 -0.83 0.00 -1.29 -2.70 119.26 116.29 1sgo h ALA 125 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1sgo h ALA 125 Cb 0.59 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1sgo h ALA 125 CO 0.03 0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.72 1sgo n LEU 126 N -4.43 0.22 0.02 0.00 4.32 -0.96 -2.09 117.00 114.07 1sgo n LEU 126 Ca -0.10 0.54 -0.13 0.00 -0.02 0.00 0.00 56.01 56.30 1sgo n LEU 126 Cb 0.54 -0.49 -0.09 0.00 -1.62 0.00 0.00 43.42 41.75 1sgo n LEU 126 CO 0.41 -0.22 0.61 0.25 -1.22 0.00 0.00 177.39 177.23 1sgo h LEU 127 N 0.00 -0.06 -0.23 2.23 7.12 -0.84 -3.18 115.31 120.35 1sgo h LEU 127 Ca 0.00 -0.42 0.00 0.00 0.13 0.00 0.00 57.88 57.59 1sgo h LEU 127 Cb 0.41 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.55 1sgo h LEU 127 CO 0.00 0.40 0.00 0.06 -0.13 0.00 0.00 178.44 178.77 1sgo h GLN 128 N -0.53 0.00 0.00 1.25 -0.00 -1.28 -3.08 115.11 111.46 1sgo h GLN 128 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.59 1sgo h GLN 128 Cb 0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.95 1sgo h GLN 128 CO 0.01 0.00 -0.25 -0.09 -0.00 0.00 0.00 178.83 178.50 1sgo h ARG 129 N 0.00 0.00 -0.59 0.06 9.65 -1.44 -2.60 114.38 119.46 1sgo h ARG 129 Ca 0.00 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.82 1sgo h ARG 129 Cb 0.81 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.36 1sgo h ARG 129 CO 0.00 0.25 0.14 1.25 2.80 0.00 0.00 179.97 184.40 1sgo h LEU 130 N 0.00 0.87 -1.15 3.80 5.85 -1.52 -2.31 115.31 120.86 1sgo h LEU 130 Ca -0.00 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.47 1sgo h LEU 130 Cb 0.70 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1sgo h LEU 130 CO 0.03 0.85 -0.39 -0.33 -0.34 0.00 0.00 178.44 178.27 1sgo h GLU 131 N 0.89 0.00 -0.67 1.25 4.39 -1.64 -3.02 114.58 115.77 1sgo h GLU 131 Ca 0.19 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 1sgo h GLU 131 Cb 0.33 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 1sgo h GLU 131 CO 0.00 0.39 0.35 0.00 -1.16 0.00 0.00 179.01 178.59 1sgo h ALA 132 N 1.61 0.86 0.00 3.43 0.00 -1.37 0.61 119.26 124.40 1sgo h ALA 132 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1sgo h ALA 132 Cb 0.77 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1sgo h ALA 132 CO 0.05 0.41 -0.03 -0.07 0.00 0.00 0.00 179.25 179.61 1sgo h LEU 133 N 0.93 0.00 0.01 0.00 4.07 -1.52 -1.27 115.31 117.54 1sgo h LEU 133 Ca 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.19 1sgo h LEU 133 Cb 0.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.82 1sgo h LEU 133 CO -0.03 0.03 -0.01 0.11 -1.08 0.00 0.00 178.44 177.46 1sgo h LYS 134 N 0.00 -0.02 -0.38 1.13 1.57 -1.31 -2.36 116.57 115.21 1sgo h LYS 134 Ca -0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1sgo h LYS 134 Cb 0.92 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 1sgo h LYS 134 CO 0.00 0.78 -0.40 0.00 -0.57 0.00 0.00 179.45 179.26 1sgo h ARG 135 N -0.91 0.93 -0.56 3.15 3.08 -0.92 -2.53 114.38 116.62 1sgo h ARG 135 Ca -0.00 -0.50 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1sgo h ARG 135 Cb 0.80 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1sgo h ARG 135 CO 0.00 1.16 0.00 -0.25 -1.07 0.00 0.00 179.97 179.81 1sgo n ASP 136 N -4.05 3.05 -2.31 7.04 8.00 -0.48 -4.37 116.55 123.42 1sgo n ASP 136 Ca -0.02 -2.18 -0.27 0.00 0.71 0.00 0.00 54.79 53.02 1sgo n ASP 136 Cb 0.56 -0.41 0.02 0.00 -0.02 0.00 0.00 41.12 41.26 1sgo n ASP 136 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sgo n GLY 137 N 1.01 4.73 3.69 0.44 0.00 -0.89 -4.93 105.19 109.24 1sgo n GLY 137 Ca 0.17 -1.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.49 4.23 0.00 1.61 -0.44 -1.26 -4.98 119.66 116.33 1sgo s GLN 138 Ca 0.50 0.34 0.00 0.00 -2.50 0.00 0.00 55.36 53.69 1sgo s GLN 138 Cb 0.37 -3.51 0.00 0.00 -1.64 0.00 0.00 33.01 28.23 1sgo s GLN 138 CO -0.13 -0.00 0.06 0.43 0.50 0.00 0.00 175.29 176.15