#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 0.69 -3.57 0.03 0.00 -1.26 -4.62 120.64 111.91 1sgo n GLU 2 Ca 0.00 0.25 -0.41 0.00 0.00 0.00 0.00 57.16 57.00 1sgo n GLU 2 Cb 0.00 -1.72 -0.09 0.00 0.00 0.00 0.00 31.44 29.63 1sgo n GLU 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1sgo s THR 3 N -2.57 4.31 0.62 3.84 2.01 -1.26 -5.09 115.64 117.51 1sgo s THR 3 Ca -0.14 -1.51 -0.17 0.00 0.31 0.00 0.00 61.69 60.18 1sgo s THR 3 Cb 0.07 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 1sgo s THR 3 CO 0.79 -0.61 1.15 -1.81 -0.69 0.00 0.00 174.62 173.45 1sgo s ASP 4 N 2.37 5.17 0.77 3.53 1.01 -1.26 -5.01 116.67 123.25 1sgo s ASP 4 Ca 0.04 2.17 -0.11 0.00 0.71 0.00 0.00 52.55 55.36 1sgo s ASP 4 Cb -0.24 -2.57 0.05 0.00 1.01 0.00 0.00 42.92 41.17 1sgo s ASP 4 CO 0.01 -1.59 1.08 0.00 0.21 0.00 0.00 175.17 174.89 1sgo n ASN 6 N -3.39 -7.03 -1.39 0.00 5.15 -1.26 -4.93 115.26 102.42 1sgo n ASN 6 Ca 0.07 0.35 0.04 0.00 -0.60 0.00 0.00 54.58 54.44 1sgo n ASN 6 Cb 0.55 -4.72 0.25 0.00 -0.53 0.00 0.00 39.78 35.33 1sgo n ASN 6 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1sgo n PRO 7 N -0.61 3.43 -2.15 1.20 -0.04 -1.26 -4.89 135.00 130.68 1sgo n PRO 7 Ca 0.08 -1.98 -0.40 0.00 -0.04 0.00 0.00 63.50 61.16 1sgo n PRO 7 Cb 0.41 -1.98 -0.03 0.00 -0.04 0.00 0.00 33.50 31.86 1sgo n PRO 7 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1sgo s MET 8 N -2.11 2.96 -0.40 0.54 -1.94 -1.26 -4.93 119.30 112.17 1sgo s MET 8 Ca 0.34 0.69 -0.28 0.00 -1.71 0.00 0.00 55.69 54.73 1sgo s MET 8 Cb 0.26 -4.27 0.02 0.00 2.01 0.00 0.00 34.83 32.85 1sgo s MET 8 CO 0.10 -2.33 1.05 -2.00 -0.01 0.00 0.00 175.02 171.82 1sgo s GLU 9 N 6.32 3.86 -0.41 2.03 2.12 -1.26 -5.00 118.70 126.36 1sgo s GLU 9 Ca 0.64 0.72 -0.20 0.00 0.36 0.00 0.00 54.97 56.49 1sgo s GLU 9 Cb -0.14 -3.82 0.02 0.00 0.26 0.00 0.00 34.13 30.45 1sgo s GLU 9 CO 0.24 -1.10 0.59 -1.17 -0.54 0.00 0.00 175.26 173.28 1sgo s LEU 10 N 3.89 4.51 0.08 2.70 2.96 -1.26 -4.98 118.68 126.59 1sgo s LEU 10 Ca 0.44 -0.30 -0.35 0.00 -0.22 0.00 0.00 54.13 53.70 1sgo s LEU 10 Cb -0.10 -2.66 -0.17 0.00 0.50 0.00 0.00 46.19 43.76 1sgo s LEU 10 CO 0.23 -0.68 1.57 0.28 -1.32 0.00 0.00 176.35 176.43 1sgo h SER 11 N 8.75 -1.28 0.00 3.68 0.02 -2.04 -3.48 113.55 119.21 1sgo h SER 11 Ca -0.26 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1sgo h SER 11 Cb 1.10 0.41 0.00 0.00 0.14 0.00 0.00 62.40 64.06 1sgo h SER 11 CO 0.85 -0.65 0.00 -1.54 -1.14 0.00 0.00 176.83 174.35 1sgo n SER 12 N -5.56 0.00 0.00 3.07 3.41 -1.26 -5.02 113.62 108.26 1sgo n SER 12 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1sgo n SER 12 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1sgo n SER 12 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1sgo n MET 13 N -0.64 0.00 0.00 4.33 2.00 -1.26 -1.06 117.12 120.49 1sgo n MET 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1sgo n MET 13 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1sgo n MET 13 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1sgo n SER 14 N 0.98 1.26 -0.12 7.83 2.88 -1.26 -5.15 113.62 120.05 1sgo n SER 14 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1sgo n SER 14 Cb 0.00 0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 1sgo n SER 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sgo n GLY 15 N 0.85 0.09 0.00 0.46 0.00 -0.22 -4.51 105.19 101.85 1sgo n GLY 15 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.24 0.00 -3.05 1.61 3.72 -1.26 -4.94 117.46 113.30 1sgo n PHE 16 Ca 0.00 -0.07 -0.21 0.00 -0.05 0.00 0.00 57.45 57.13 1sgo n PHE 16 Cb 0.00 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 38.55 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 -0.14 2.94 -0.74 -1.08 8.01 -1.26 -4.15 118.70 122.28 1sgo s GLU 17 Ca 0.00 -0.79 0.00 0.00 0.01 0.00 0.00 54.97 54.19 1sgo s GLU 17 Cb 0.00 -2.64 0.00 0.00 -4.31 0.00 0.00 34.13 27.18 1sgo s GLU 17 CO 0.00 -0.27 0.00 0.39 0.01 0.00 0.00 175.26 175.39 1sgo n GLU 18 N -1.99 -0.99 -1.02 1.61 1.02 -1.26 -3.70 120.64 114.32 1sgo n GLU 18 Ca 0.03 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.83 1sgo n GLU 18 Cb 0.58 -4.61 0.00 0.00 -0.02 0.00 0.00 31.44 27.39 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 -1.13 0.89 0.12 0.62 0.00 -1.26 -4.96 105.19 99.47 1sgo n GLY 19 Ca -0.07 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.01 0.80 -3.89 1.61 7.64 -1.24 -4.74 113.62 112.78 1sgo n SER 20 Ca 0.00 0.62 -0.11 0.00 1.01 0.00 0.00 58.87 60.38 1sgo n SER 20 Cb 0.34 -0.81 -0.13 0.00 -1.01 0.00 0.00 64.21 62.60 1sgo n SER 20 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1sgo s GLU 21 N -3.19 0.14 0.00 1.43 2.56 -1.26 -5.11 118.70 113.27 1sgo s GLU 21 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 54.97 54.92 1sgo s GLU 21 Cb 0.11 0.05 0.00 0.00 2.00 0.00 0.00 34.13 36.29 1sgo s GLU 21 CO 0.52 -0.02 0.00 -0.11 -0.56 0.00 0.00 175.26 175.09 1sgo n LEU 22 N 2.61 2.05 -4.29 2.70 0.00 -1.26 -4.50 117.00 114.31 1sgo n LEU 22 Ca -0.16 0.16 -0.44 0.00 0.00 0.00 0.00 56.01 55.57 1sgo n LEU 22 Cb 0.58 -0.16 0.00 0.00 0.00 0.00 0.00 43.42 43.85 1sgo n LEU 22 CO 0.23 -0.16 1.06 0.59 0.00 0.00 0.00 177.39 179.12 1sgo n ASN 23 N -0.97 5.57 -4.07 1.96 3.02 -1.26 -4.94 115.26 114.56 1sgo n ASN 23 Ca 0.00 -3.09 -0.25 0.00 -0.03 0.00 0.00 54.58 51.21 1sgo n ASN 23 Cb 0.00 -1.41 -0.16 0.00 -0.61 0.00 0.00 39.78 37.59 1sgo n ASN 23 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1sgo s GLY 24 N 1.15 0.87 0.00 7.41 0.00 -1.26 -4.84 107.32 110.64 1sgo s GLY 24 Ca 0.34 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.53 1sgo s GLY 24 CO -0.03 -0.06 0.00 0.69 0.00 0.00 0.00 173.10 173.70 1sgo n PHE 25 N 3.58 0.00 -4.71 1.90 3.72 -1.26 -4.79 117.46 115.90 1sgo n PHE 25 Ca -0.21 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.86 1sgo n PHE 25 Cb 0.52 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.92 1sgo n PHE 25 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 1sgo s GLU 26 N 0.00 3.31 -0.50 -1.08 -1.05 -1.26 -5.05 118.70 113.07 1sgo s GLU 26 Ca 0.00 -0.72 0.06 0.00 -0.15 0.00 0.00 54.97 54.16 1sgo s GLU 26 Cb 0.00 -2.62 0.21 0.00 -0.44 0.00 0.00 34.13 31.28 1sgo s GLU 26 CO 0.00 0.14 0.50 0.41 0.95 0.00 0.00 175.26 177.26 1sgo n GLY 27 N 3.73 3.21 3.60 -3.83 0.00 -1.26 -4.67 105.19 105.98 1sgo n GLY 27 Ca -0.18 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.10 3.96 -1.82 2.61 2.01 -1.26 -3.77 115.64 116.26 1sgo s THR 28 Ca 0.34 0.96 0.00 0.00 0.31 0.00 0.00 61.69 63.30 1sgo s THR 28 Cb 0.09 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.28 1sgo s THR 28 CO -0.13 -0.85 0.00 -0.67 -0.69 0.00 0.00 174.62 172.28 1sgo n ASP 29 N 8.69 -5.50 -4.65 3.53 2.03 -1.26 -4.92 116.55 114.47 1sgo n ASP 29 Ca 0.15 0.43 -0.43 0.00 0.52 0.00 0.00 54.79 55.46 1sgo n ASP 29 Cb 0.48 -4.57 -0.02 0.00 -0.72 0.00 0.00 41.12 36.29 1sgo n ASP 29 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1sgo s MET 30 N -3.45 4.15 0.19 -0.67 -1.94 -1.25 -5.00 119.30 111.34 1sgo s MET 30 Ca 0.00 1.14 -0.30 0.00 -1.71 0.00 0.00 55.69 54.83 1sgo s MET 30 Cb 0.00 -3.69 -0.08 0.00 2.01 0.00 0.00 34.83 33.07 1sgo s MET 30 CO 0.00 -0.73 0.94 0.21 -0.01 0.00 0.00 175.02 175.43 1sgo s LYS 31 N 3.33 4.79 -0.31 2.03 2.20 -1.26 -4.96 119.74 125.56 1sgo s LYS 31 Ca 0.43 1.46 -0.28 0.00 -0.36 0.00 0.00 55.97 57.22 1sgo s LYS 31 Cb -0.14 -3.31 -0.06 0.00 -1.51 0.00 0.00 37.83 32.81 1sgo s LYS 31 CO 0.10 0.42 2.29 -3.47 -0.36 0.00 0.00 175.35 174.34 1sgo n ASP 32 N 1.92 2.93 0.28 1.43 -0.08 -1.26 -4.71 116.55 117.06 1sgo n ASP 32 Ca -0.01 -0.03 0.19 0.00 -1.51 0.00 0.00 54.79 53.43 1sgo n ASP 32 Cb 0.48 -1.56 0.85 0.00 2.34 0.00 0.00 41.12 43.23 1sgo n ASP 32 CO 0.00 0.00 0.00 -0.03 0.12 0.00 0.00 177.20 177.29 1sgo h MET 33 N 16.54 0.00 -0.10 -0.67 1.85 -1.83 -2.94 114.93 127.77 1sgo h MET 33 Ca -0.35 0.00 -0.13 0.00 -0.61 0.00 0.00 59.70 58.61 1sgo h MET 33 Cb 1.25 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.27 1sgo h MET 33 CO 1.03 0.00 -0.49 0.00 -0.40 0.00 0.00 176.91 177.04 1sgo h ARG 34 N 0.00 0.27 0.19 0.39 3.08 -1.87 0.49 114.38 116.93 1sgo h ARG 34 Ca 0.00 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1sgo h ARG 34 Cb 0.31 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1sgo h ARG 34 CO 0.00 0.71 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.45 1sgo h LEU 35 N 0.22 -0.21 -1.80 3.04 3.38 -1.92 -0.22 115.31 117.78 1sgo h LEU 35 Ca 0.01 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1sgo h LEU 35 Cb 0.95 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1sgo h LEU 35 CO 0.08 0.09 0.19 -0.33 0.09 0.00 0.00 178.44 178.57 1sgo h GLU 36 N -0.53 0.25 0.17 1.13 4.39 -1.62 0.62 114.58 118.98 1sgo h GLU 36 Ca -0.03 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1sgo h GLU 36 Cb 0.40 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1sgo h GLU 36 CO 0.04 0.17 -0.08 0.00 -1.16 0.00 0.00 179.01 177.98 1sgo h ALA 37 N 1.84 -0.22 -0.54 3.43 0.00 -0.55 -1.69 119.26 121.53 1sgo h ALA 37 Ca 0.12 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1sgo h ALA 37 Cb 0.16 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1sgo h ALA 37 CO -0.02 -0.43 0.12 1.49 0.00 0.00 0.00 179.25 180.41 1sgo h GLU 38 N -0.62 0.84 -0.66 0.00 4.81 -0.59 -1.21 114.58 117.15 1sgo h GLU 38 Ca -0.02 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 58.98 1sgo h GLU 38 Cb 0.46 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1sgo h GLU 38 CO 0.04 0.77 0.22 0.00 -0.73 0.00 0.00 179.01 179.30 1sgo h ALA 39 N 1.32 0.87 -0.06 2.92 0.00 -0.87 -2.32 119.26 121.12 1sgo h ALA 39 Ca 0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1sgo h ALA 39 Cb 0.31 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1sgo h ALA 39 CO 0.00 0.53 0.01 0.28 0.00 0.00 0.00 179.25 180.06 1sgo h VAL 40 N 0.96 1.23 -0.04 0.00 2.07 -0.92 -2.81 116.25 116.73 1sgo h VAL 40 Ca 0.22 -0.69 0.04 0.00 0.82 0.00 0.00 66.70 67.08 1sgo h VAL 40 Cb 0.28 1.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 1sgo h VAL 40 CO -0.01 0.19 -0.25 0.58 0.02 0.00 0.00 177.57 178.10 1sgo h VAL 41 N -0.16 0.42 -0.27 2.57 2.07 -1.08 -2.42 116.25 117.38 1sgo h VAL 41 Ca 0.02 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 1sgo h VAL 41 Cb 0.30 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1sgo h VAL 41 CO 0.00 0.00 -0.16 -1.13 0.02 0.00 0.00 177.57 176.31 1sgo h ASN 42 N -0.37 0.45 0.01 0.57 -1.24 -1.49 -2.36 115.58 111.14 1sgo h ASN 42 Ca 0.07 -0.12 -0.00 0.00 0.71 0.00 0.00 56.30 56.96 1sgo h ASN 42 Cb 0.47 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.40 1sgo h ASN 42 CO -0.25 0.63 -0.00 -0.78 -1.29 0.00 0.00 177.43 175.74 1sgo h ASP 43 N 0.42 -0.01 -0.31 1.15 3.58 -1.17 -3.26 116.42 116.83 1sgo h ASP 43 Ca 0.08 -0.54 0.00 0.00 0.42 0.00 0.00 57.03 56.98 1sgo h ASP 43 Cb 0.52 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1sgo h ASP 43 CO 0.03 0.54 0.00 1.33 -2.88 0.00 0.00 179.24 178.26 1sgo n VAL 44 N -4.83 0.40 0.25 2.25 0.24 -1.00 -4.18 118.33 111.46 1sgo n VAL 44 Ca -0.09 -0.61 0.08 0.00 -2.04 0.00 0.00 64.34 61.69 1sgo n VAL 44 Cb 0.28 0.78 0.63 0.00 -1.47 0.00 0.00 33.84 34.05 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 3.72 0.00 -1.88 1.34 6.46 -1.46 -1.16 115.31 122.33 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 0.82 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.75 1sgo h LEU 45 CO 0.00 0.09 0.00 -0.26 -0.62 0.00 0.00 178.44 177.65 1sgo h PHE 46 N 0.00 0.00 -0.46 1.25 0.04 -1.78 -2.55 116.94 113.44 1sgo h PHE 46 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1sgo h PHE 46 Cb 0.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.32 1sgo h PHE 46 CO 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.71 1sgo n ALA 47 N -2.06 2.35 -4.33 2.45 0.00 -0.44 -4.92 120.51 113.56 1sgo n ALA 47 Ca -0.00 -1.10 -0.23 0.00 0.00 0.00 0.00 53.44 52.10 1sgo n ALA 47 Cb 0.23 -0.73 -0.06 0.00 0.00 0.00 0.00 19.45 18.88 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 1.23 0.00 0.01 0.00 0.24 -0.96 -4.26 118.33 114.59 1sgo n VAL 48 Ca 0.18 -2.03 -0.19 0.00 -2.04 0.00 0.00 64.34 60.26 1sgo n VAL 48 Cb 0.54 0.73 -0.14 0.00 -1.47 0.00 0.00 33.84 33.50 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 1.39 0.36 -5.00 -1.34 -1.24 -0.84 -3.43 115.58 105.49 1sgo h ASN 49 Ca -0.27 -0.75 -0.05 0.00 0.71 0.00 0.00 56.30 55.94 1sgo h ASN 49 Cb 1.04 -0.12 -0.18 0.00 0.73 0.00 0.00 38.32 39.79 1sgo h ASN 49 CO 0.43 1.66 0.18 0.21 -1.29 0.00 0.00 177.43 178.63 1sgo s ASN 50 N -6.89 -0.63 -0.29 1.15 2.47 -0.09 -5.04 114.94 105.62 1sgo s ASN 50 Ca -0.17 0.56 -0.16 0.00 0.42 0.00 0.00 52.86 53.50 1sgo s ASN 50 Cb 0.07 0.55 0.12 0.00 -1.45 0.00 0.00 41.25 40.53 1sgo s ASN 50 CO 0.80 -0.68 0.87 -0.32 -3.72 0.00 0.00 177.10 174.05 1sgo s MET 51 N -1.70 0.51 0.17 0.43 -2.45 -1.26 -0.11 119.30 114.90 1sgo s MET 51 Ca -0.09 0.87 -0.21 0.00 -1.25 0.00 0.00 55.69 55.01 1sgo s MET 51 Cb -0.00 0.11 0.06 0.00 1.25 0.00 0.00 34.83 36.24 1sgo s MET 51 CO 0.05 -0.11 0.58 -0.59 1.05 0.00 0.00 175.02 176.01 1sgo s PHE 52 N 1.40 -0.42 0.30 4.11 -0.71 -0.33 -4.93 117.98 117.39 1sgo s PHE 52 Ca -0.09 0.16 -0.29 0.00 -1.04 0.00 0.00 56.93 55.67 1sgo s PHE 52 Cb -0.04 0.53 -0.10 0.00 -1.21 0.00 0.00 43.02 42.20 1sgo s PHE 52 CO -0.16 -0.89 1.13 0.54 -1.34 0.00 0.00 175.22 174.50 1sgo s VAL 53 N -3.79 3.38 0.74 -2.49 0.11 -1.26 -0.43 120.40 116.66 1sgo s VAL 53 Ca 0.03 1.36 -0.11 0.00 -2.93 0.00 0.00 61.98 60.34 1sgo s VAL 53 Cb -0.01 -3.86 0.04 0.00 -1.53 0.00 0.00 36.38 31.02 1sgo s VAL 53 CO -0.10 0.30 1.08 -0.44 -3.33 0.00 0.00 175.10 172.61 1sgo s SER 54 N -0.87 4.86 0.00 3.54 0.01 -0.05 -4.73 113.70 116.46 1sgo s SER 54 Ca 0.46 1.67 0.00 0.00 1.31 0.00 0.00 55.95 59.39 1sgo s SER 54 Cb -0.32 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.45 1sgo s SER 54 CO 0.42 -1.78 0.18 2.29 0.41 0.00 0.00 173.24 174.76 1sgo n LYS 55 N -3.35 1.48 -0.25 12.44 0.00 -1.26 -4.67 118.16 122.55 1sgo n LYS 55 Ca 0.08 -0.18 0.06 0.00 -0.00 0.00 0.00 58.31 58.27 1sgo n LYS 55 Cb 0.54 -0.60 0.18 0.00 -0.00 0.00 0.00 35.03 35.15 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 -0.26 3.21 0.00 -5.58 7.64 -1.26 -4.98 113.62 112.39 1sgo n SER 56 Ca 0.00 -2.26 0.00 0.00 1.01 0.00 0.00 58.87 57.62 1sgo n SER 56 Cb 0.05 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 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 0.29 0.00 -3.76 -3.43 7.99 -1.26 -5.09 117.00 111.74 1sgo n LEU 57 Ca 0.14 0.00 -0.15 0.00 -0.01 0.00 0.00 56.01 56.00 1sgo n LEU 57 Cb 0.55 0.00 -0.16 0.00 -0.11 0.00 0.00 43.42 43.71 1sgo n LEU 57 CO 0.10 0.00 -0.32 0.00 -1.51 0.00 0.00 177.39 175.66 1sgo s ARG 58 N 3.00 -0.01 -0.52 3.23 3.03 -1.26 -5.10 118.95 121.32 1sgo s ARG 58 Ca 0.00 0.23 0.04 0.00 2.03 0.00 0.00 55.73 58.03 1sgo s ARG 58 Cb 0.00 -0.23 0.14 0.00 -1.03 0.00 0.00 34.95 33.82 1sgo s ARG 58 CO 0.00 -0.17 0.28 0.00 -1.13 0.00 0.00 175.30 174.28 1sgo n ALA 60 N 3.08 3.65 0.00 0.00 0.00 -1.16 -4.88 120.51 121.20 1sgo n ALA 60 Ca 0.08 -1.61 0.00 0.00 0.00 0.00 0.00 53.44 51.91 1sgo n ALA 60 Cb 0.33 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1sgo n ALA 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sgo n ASP 61 N 0.55 0.00 0.06 0.00 8.00 -1.26 -4.65 116.55 119.26 1sgo n ASP 61 Ca 0.24 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.70 1sgo n ASP 61 Cb 1.04 -0.02 0.19 0.00 -0.02 0.00 0.00 41.12 42.32 1sgo n ASP 61 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1sgo h ASP 62 N 0.00 0.35 -5.08 -2.24 5.19 -1.90 -2.82 116.42 109.93 1sgo h ASP 62 Ca 0.00 -0.15 -0.13 0.00 -0.62 0.00 0.00 57.03 56.13 1sgo h ASP 62 Cb 0.00 -0.10 -0.18 0.00 0.18 0.00 0.00 39.33 39.23 1sgo h ASP 62 CO 0.00 0.72 -0.52 0.54 -3.12 0.00 0.00 179.24 176.86 1sgo s VAL 63 N -4.18 0.13 -0.22 -1.35 0.11 -1.26 -4.63 120.40 109.00 1sgo s VAL 63 Ca -0.05 -1.07 -0.06 0.00 -2.93 0.00 0.00 61.98 57.87 1sgo s VAL 63 Cb 0.13 -0.86 0.11 0.00 -1.53 0.00 0.00 36.38 34.23 1sgo s VAL 63 CO 0.79 -0.59 0.44 0.00 -3.33 0.00 0.00 175.10 172.41 1sgo s ALA 64 N -2.52 -1.28 -0.09 1.54 0.00 -0.90 -2.99 121.76 115.51 1sgo s ALA 64 Ca -0.06 1.47 -0.23 0.00 0.00 0.00 0.00 51.96 53.14 1sgo s ALA 64 Cb -0.02 -1.48 -0.03 0.00 0.00 0.00 0.00 23.12 21.59 1sgo s ALA 64 CO -0.04 -0.91 0.70 0.71 0.00 0.00 0.00 175.76 176.21 1sgo s TYR 65 N 2.64 3.54 -0.09 0.00 1.51 -1.26 -1.17 117.35 122.52 1sgo s TYR 65 Ca 0.02 1.20 0.04 0.00 -1.01 0.00 0.00 57.07 57.32 1sgo s TYR 65 Cb -0.13 -2.81 -0.01 0.00 -0.11 0.00 0.00 41.96 38.90 1sgo s TYR 65 CO -0.14 0.03 -0.21 0.42 -1.11 0.00 0.00 175.55 174.54 1sgo s ILE 66 N 1.03 2.38 -0.39 2.71 1.01 0.53 -0.87 121.20 127.60 1sgo s ILE 66 Ca 0.36 -0.93 -0.17 0.00 0.00 0.00 0.00 60.65 59.91 1sgo s ILE 66 Cb -0.17 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.39 1sgo s ILE 66 CO 0.16 0.56 0.46 0.20 0.00 0.00 0.00 174.94 176.32 1sgo s ASN 67 N 0.08 6.23 -0.02 3.58 0.01 0.42 -0.33 114.94 124.92 1sgo s ASN 67 Ca -0.09 -0.39 0.04 0.00 -0.71 0.00 0.00 52.86 51.70 1sgo s ASN 67 Cb -0.15 -2.24 -0.03 0.00 0.41 0.00 0.00 41.25 39.24 1sgo s ASN 67 CO 0.06 -0.53 -0.12 0.54 -1.51 0.00 0.00 177.10 175.54 1sgo s VAL 68 N 2.25 3.23 -0.24 1.60 0.11 -0.25 -1.19 120.40 125.91 1sgo s VAL 68 Ca 0.15 -0.81 -0.03 0.00 -2.93 0.00 0.00 61.98 58.36 1sgo s VAL 68 Cb -0.16 -2.33 0.08 0.00 -1.53 0.00 0.00 36.38 32.44 1sgo s VAL 68 CO 0.14 0.48 0.07 -0.70 -3.33 0.00 0.00 175.10 171.76 1sgo s GLU 69 N -1.08 0.54 0.84 1.54 2.12 0.85 -0.37 118.70 123.15 1sgo s GLU 69 Ca 0.14 -0.58 -0.14 0.00 0.36 0.00 0.00 54.97 54.74 1sgo s GLU 69 Cb -0.11 -1.89 0.21 0.00 0.26 0.00 0.00 34.13 32.60 1sgo s GLU 69 CO 0.03 -0.80 0.85 0.25 -0.54 0.00 0.00 175.26 175.06 1sgo n THR 70 N 5.05 0.00 0.27 -1.70 -2.24 -1.14 -0.69 114.28 113.84 1sgo n THR 70 Ca -0.06 -0.46 0.15 0.00 -2.27 0.00 0.00 64.05 61.41 1sgo n THR 70 Cb 0.45 -1.31 0.69 0.00 -2.10 0.00 0.00 70.33 68.05 1sgo n THR 70 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1sgo h LYS 71 N 0.00 0.00 0.00 -0.78 1.57 -1.83 0.99 116.57 116.52 1sgo h LYS 71 Ca -0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1sgo h LYS 71 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1sgo h LYS 71 CO 0.20 0.07 0.00 0.39 -0.57 0.00 0.00 179.45 179.55 1sgo n GLU 72 N -3.24 0.25 -1.42 3.15 4.71 -1.26 -4.85 120.64 117.97 1sgo n GLU 72 Ca -0.00 0.11 -0.14 0.00 -0.01 0.00 0.00 57.16 57.12 1sgo n GLU 72 Cb 0.31 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 29.17 1sgo n GLU 72 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1sgo n ARG 73 N -1.30 -1.01 -3.25 3.49 1.74 0.34 -4.97 116.66 111.70 1sgo n ARG 73 Ca 0.09 1.01 -0.40 0.00 -0.77 0.00 0.00 57.85 57.77 1sgo n ARG 73 Cb 0.15 -5.12 -0.08 0.00 -1.02 0.00 0.00 32.46 26.40 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 -2.85 6.40 -0.03 0.55 0.01 -1.26 -4.87 114.94 112.90 1sgo s ASN 74 Ca 0.00 0.43 -0.10 0.00 -0.71 0.00 0.00 52.86 52.48 1sgo s ASN 74 Cb 0.00 -2.27 -0.05 0.00 0.41 0.00 0.00 41.25 39.34 1sgo s ASN 74 CO 0.00 -0.31 0.29 0.00 -1.51 0.00 0.00 177.10 175.57 1sgo s ARG 75 N 2.31 3.68 0.02 -0.60 3.03 -1.26 -2.87 118.95 123.27 1sgo s ARG 75 Ca 0.20 0.11 0.01 0.00 2.03 0.00 0.00 55.73 58.09 1sgo s ARG 75 Cb -0.16 -3.16 -0.02 0.00 -1.03 0.00 0.00 34.95 30.59 1sgo s ARG 75 CO 0.10 0.70 -0.05 0.71 -1.13 0.00 0.00 175.30 175.62 1sgo s TYR 76 N -1.14 0.46 -0.31 5.89 2.02 0.50 -3.57 117.35 121.20 1sgo s TYR 76 Ca 0.23 -0.37 -0.11 0.00 -0.37 0.00 0.00 57.07 56.44 1sgo s TYR 76 Cb -0.14 -0.29 -0.03 0.00 -0.40 0.00 0.00 41.96 41.10 1sgo s TYR 76 CO 0.11 -0.09 0.20 0.00 -1.57 0.00 0.00 175.55 174.20 1sgo s LEU 78 N 1.71 3.55 -0.46 0.00 1.43 0.56 -1.42 118.68 124.04 1sgo s LEU 78 Ca 0.06 0.01 -0.19 0.00 -1.03 0.00 0.00 54.13 52.98 1sgo s LEU 78 Cb -0.17 -1.86 0.04 0.00 0.03 0.00 0.00 46.19 44.23 1sgo s LEU 78 CO 0.09 0.21 0.56 -0.70 0.23 0.00 0.00 176.35 176.75 1sgo s GLU 79 N 0.12 3.14 -0.34 1.70 2.12 0.67 -0.35 118.70 125.76 1sgo s GLU 79 Ca 0.02 -0.75 -0.22 0.00 0.36 0.00 0.00 54.97 54.38 1sgo s GLU 79 Cb -0.13 -4.03 0.00 0.00 0.26 0.00 0.00 34.13 30.24 1sgo s GLU 79 CO 0.02 -1.05 0.70 -1.17 -0.54 0.00 0.00 175.26 173.21 1sgo s LEU 80 N 2.48 4.18 0.00 2.70 2.96 -0.31 -1.93 118.68 128.76 1sgo s LEU 80 Ca 0.15 0.32 0.00 0.00 -0.22 0.00 0.00 54.13 54.38 1sgo s LEU 80 Cb -0.18 -2.90 0.00 0.00 0.50 0.00 0.00 46.19 43.62 1sgo s LEU 80 CO 0.14 -0.62 0.00 0.35 -1.32 0.00 0.00 176.35 174.90 1sgo n THR 81 N 5.61 0.00 0.30 3.68 -2.24 -0.36 -2.13 114.28 119.14 1sgo n THR 81 Ca 0.01 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.95 1sgo n THR 81 Cb 0.48 0.00 0.76 0.00 -2.10 0.00 0.00 70.33 69.48 1sgo n THR 81 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1sgo h GLU 82 N 0.00 0.00 0.00 -0.78 5.08 -1.95 -1.16 114.58 115.77 1sgo h GLU 82 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1sgo h GLU 82 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1sgo h GLU 82 CO 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 179.01 177.85 1sgo n ALA 83 N -1.96 2.54 0.00 3.43 0.00 -1.26 -5.04 120.51 118.23 1sgo n ALA 83 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1sgo n ALA 83 Cb 0.18 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 1.40 0.28 3.45 0.00 0.00 -0.44 -4.27 105.19 105.60 1sgo n GLY 84 Ca 0.06 -1.88 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 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 3.70 -0.07 0.99 1.02 0.45 -1.23 118.68 123.55 1sgo s LEU 85 Ca 0.00 -0.32 0.03 0.00 0.02 0.00 0.00 54.13 53.85 1sgo s LEU 85 Cb 0.00 -1.96 -0.02 0.00 0.02 0.00 0.00 46.19 44.23 1sgo s LEU 85 CO 0.00 -0.09 -0.13 -0.75 0.02 0.00 0.00 176.35 175.39 1sgo s LYS 86 N 1.62 2.70 -0.54 1.70 2.20 -0.81 -2.01 119.74 124.59 1sgo s LYS 86 Ca 0.06 -0.68 -0.28 0.00 -0.36 0.00 0.00 55.97 54.71 1sgo s LYS 86 Cb -0.16 -2.45 0.03 0.00 -1.51 0.00 0.00 37.83 33.74 1sgo s LYS 86 CO 0.05 0.55 1.14 0.08 -0.36 0.00 0.00 175.35 176.80 1sgo s VAL 87 N -0.52 4.13 -0.97 4.02 1.01 -1.26 -0.24 120.40 126.57 1sgo s VAL 87 Ca 0.07 0.91 0.22 0.00 0.00 0.00 0.00 61.98 63.18 1sgo s VAL 87 Cb -0.12 -4.66 -0.17 0.00 0.00 0.00 0.00 36.38 31.44 1sgo s VAL 87 CO 0.02 -1.20 1.03 1.33 0.00 0.00 0.00 175.10 176.28 1sgo n VAL 88 N 6.66 0.01 -3.58 2.92 0.24 -0.51 -4.30 118.33 119.76 1sgo n VAL 88 Ca 0.09 -0.02 -0.05 0.00 -2.04 0.00 0.00 64.34 62.32 1sgo n VAL 88 Cb 0.49 0.75 -0.02 0.00 -1.47 0.00 0.00 33.84 33.59 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 -3.05 -0.33 -0.43 7.63 0.00 -1.16 -0.07 107.32 109.91 1sgo s GLY 89 Ca 0.08 1.44 0.04 0.00 0.00 0.00 0.00 44.72 46.29 1sgo s GLY 89 CO 0.82 0.47 1.63 1.58 0.00 0.00 0.00 173.10 177.61 1sgo n TYR 90 N -0.14 2.43 -4.01 1.90 0.18 -1.26 -0.34 117.16 115.92 1sgo n TYR 90 Ca -0.02 -2.23 -0.09 0.00 1.88 0.00 0.00 57.90 57.44 1sgo n TYR 90 Cb 0.59 -0.81 -0.06 0.00 -0.38 0.00 0.00 39.34 38.68 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 -3.52 -0.13 -0.04 -3.48 0.00 -1.23 -4.60 121.76 108.76 1sgo s ALA 91 Ca 0.54 -0.93 -0.30 0.00 0.00 0.00 0.00 51.96 51.27 1sgo s ALA 91 Cb 0.45 1.08 -0.04 0.00 0.00 0.00 0.00 23.12 24.61 1sgo s ALA 91 CO 0.02 -0.82 1.25 -0.06 0.00 0.00 0.00 175.76 176.15 1sgo s PHE 92 N -4.02 3.12 -1.50 0.00 0.08 -1.26 -3.03 117.98 111.35 1sgo s PHE 92 Ca 0.23 1.12 0.00 0.00 0.12 0.00 0.00 56.93 58.40 1sgo s PHE 92 Cb 0.00 -3.48 0.00 0.00 -0.57 0.00 0.00 43.02 38.97 1sgo s PHE 92 CO 0.09 -1.60 0.00 -0.25 -0.10 0.00 0.00 175.22 173.35 1sgo n ASP 93 N 5.18 -4.84 -4.52 1.36 8.00 -1.26 -4.96 116.55 115.51 1sgo n ASP 93 Ca 0.11 0.35 -0.40 0.00 0.71 0.00 0.00 54.79 55.56 1sgo n ASP 93 Cb 0.46 -3.59 -0.11 0.00 -0.02 0.00 0.00 41.12 37.86 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 -3.17 3.48 -0.20 -1.24 0.74 -1.17 -4.93 119.66 113.18 1sgo s GLN 94 Ca 0.00 -0.65 0.02 0.00 0.05 0.00 0.00 55.36 54.78 1sgo s GLN 94 Cb 0.00 -3.79 0.03 0.00 1.10 0.00 0.00 33.01 30.35 1sgo s GLN 94 CO 0.00 -0.44 -0.17 0.08 -0.55 0.00 0.00 175.29 174.20 1sgo s VAL 95 N 1.72 2.07 -0.22 1.34 1.01 -1.26 -3.01 120.40 122.05 1sgo s VAL 95 Ca 0.06 -1.13 -0.12 0.00 0.00 0.00 0.00 61.98 60.79 1sgo s VAL 95 Cb -0.17 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 1sgo s VAL 95 CO 0.10 0.37 0.21 -0.62 0.00 0.00 0.00 175.10 175.16 1sgo s ASP 96 N 1.24 6.22 0.47 3.32 -1.08 0.91 -4.97 116.67 122.78 1sgo s ASP 96 Ca 0.01 0.25 0.21 0.00 -0.52 0.00 0.00 52.55 52.50 1sgo s ASP 96 Cb -0.15 -2.13 1.18 0.00 -1.46 0.00 0.00 42.92 40.36 1sgo s ASP 96 CO -0.11 0.07 1.99 -0.78 0.52 0.00 0.00 175.17 176.87 1sgo h ASP 97 N 7.21 0.00 -0.22 -0.34 3.58 -1.99 -2.58 116.42 122.09 1sgo h ASP 97 Ca -0.39 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.06 1sgo h ASP 97 Cb 1.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.21 1sgo h ASP 97 CO 0.70 0.19 0.00 1.41 -2.88 0.00 0.00 179.24 178.66 1sgo n HIS 98 N -3.87 0.27 -3.06 0.28 8.25 -1.26 -4.80 115.22 111.03 1sgo n HIS 98 Ca -0.02 -0.13 -0.42 0.00 -0.26 0.00 0.00 57.72 56.89 1sgo n HIS 98 Cb 0.28 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.33 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 -1.65 4.22 -0.62 2.41 1.43 -0.97 -4.97 118.68 118.52 1sgo s LEU 99 Ca 0.35 0.21 0.05 0.00 -1.03 0.00 0.00 54.13 53.71 1sgo s LEU 99 Cb 0.20 -2.86 0.19 0.00 0.03 0.00 0.00 46.19 43.75 1sgo s LEU 99 CO 0.30 -0.64 0.53 1.67 0.23 0.00 0.00 176.35 178.44 1sgo n GLN 100 N 6.16 1.64 -2.67 1.70 7.27 -1.26 -4.86 117.38 125.35 1sgo n GLN 100 Ca 0.00 -4.22 -0.29 0.00 0.07 0.00 0.00 57.00 52.55 1sgo n GLN 100 Cb 0.48 -2.10 -0.02 0.00 2.41 0.00 0.00 30.24 31.01 1sgo n GLN 100 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1sgo s THR 101 N -1.42 4.82 -0.39 1.69 -4.23 -1.26 -4.99 115.64 109.85 1sgo s THR 101 Ca 0.30 0.51 -0.28 0.00 -1.18 0.00 0.00 61.69 61.04 1sgo s THR 101 Cb 0.03 -3.79 -0.02 0.00 1.34 0.00 0.00 72.50 70.06 1sgo s THR 101 CO -0.14 -0.70 1.79 -2.84 -0.54 0.00 0.00 174.62 172.19 1sgo s PRO 102 N -4.30 3.20 0.52 3.99 0.02 -1.26 -4.71 135.00 132.46 1sgo s PRO 102 Ca 0.50 1.24 -0.17 0.00 0.02 0.00 0.00 61.00 62.59 1sgo s PRO 102 Cb -0.10 -4.23 -0.07 0.00 0.02 0.00 0.00 34.50 30.12 1sgo s PRO 102 CO 0.38 -2.02 1.00 1.52 -0.33 0.00 0.00 177.00 177.55 1sgo s TYR 103 N 7.28 3.29 0.03 6.54 -0.85 -1.26 -4.82 117.35 127.55 1sgo s TYR 103 Ca 0.76 1.51 0.09 0.00 -0.52 0.00 0.00 57.07 58.91 1sgo s TYR 103 Cb -0.20 -2.87 -0.03 0.00 0.38 0.00 0.00 41.96 39.24 1sgo s TYR 103 CO 0.31 -0.55 -0.26 -1.01 -1.52 0.00 0.00 175.55 172.53 1sgo s HIS 104 N -2.47 2.25 0.46 -3.49 3.76 -0.85 -4.87 115.29 110.08 1sgo s HIS 104 Ca 0.61 -0.41 0.16 0.00 -0.15 0.00 0.00 55.06 55.27 1sgo s HIS 104 Cb -0.12 -1.37 1.11 0.00 1.11 0.00 0.00 32.58 33.31 1sgo s HIS 104 CO 0.29 0.08 2.04 1.05 -0.85 0.00 0.00 174.74 177.35 1sgo h GLU 105 N 4.97 0.00 -5.11 1.40 -0.00 -1.90 0.13 114.58 114.07 1sgo h GLU 105 Ca -0.45 0.00 -0.34 0.00 -0.00 0.00 0.00 59.36 58.57 1sgo h GLU 105 Cb 1.14 0.00 -0.15 0.00 -0.00 0.00 0.00 28.75 29.73 1sgo h GLU 105 CO 0.44 0.14 -0.72 0.95 -0.00 0.00 0.00 179.01 179.82 1sgo s THR 106 N -4.69 1.17 0.41 -1.06 -4.23 -1.26 -4.68 115.64 101.31 1sgo s THR 106 Ca -0.04 -1.96 0.15 0.00 -1.18 0.00 0.00 61.69 58.65 1sgo s THR 106 Cb 0.16 -1.74 0.16 0.00 1.34 0.00 0.00 72.50 72.41 1sgo s THR 106 CO 0.68 -0.68 1.93 1.62 -0.54 0.00 0.00 174.62 177.64 1sgo h VAL 107 N 2.98 1.13 0.36 2.29 3.04 -1.98 -2.88 116.25 121.19 1sgo h VAL 107 Ca -0.37 -0.87 -0.02 0.00 -1.01 0.00 0.00 66.70 64.43 1sgo h VAL 107 Cb 1.19 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.95 1sgo h VAL 107 CO 0.60 0.24 -0.17 1.88 -1.01 0.00 0.00 177.57 179.11 1sgo h TYR 108 N 0.00 -0.45 -0.23 3.17 0.05 -1.96 0.16 116.97 117.71 1sgo h TYR 108 Ca -0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1sgo h TYR 108 Cb 0.45 0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.33 1sgo h TYR 108 CO 0.00 -0.26 0.14 0.77 -1.05 0.00 0.00 178.16 177.76 1sgo h SER 109 N -0.52 0.26 0.14 3.88 0.02 -1.94 -1.53 113.55 113.86 1sgo h SER 109 Ca -0.05 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1sgo h SER 109 Cb 0.40 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1sgo h SER 109 CO 0.08 0.20 -0.07 0.25 -1.14 0.00 0.00 176.83 176.15 1sgo h LEU 110 N 0.31 -0.16 -1.97 5.07 5.85 -1.22 -3.08 115.31 120.10 1sgo h LEU 110 Ca 0.08 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1sgo h LEU 110 Cb -0.02 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1sgo h LEU 110 CO -0.02 0.42 0.00 -0.07 -0.34 0.00 0.00 178.44 178.44 1sgo h LEU 111 N -0.88 0.00 -0.09 2.25 4.07 -0.88 -0.92 115.31 118.87 1sgo h LEU 111 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1sgo h LEU 111 Cb 0.53 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.27 1sgo h LEU 111 CO 0.03 0.00 0.00 -0.78 -1.08 0.00 0.00 178.44 176.61 1sgo h ASP 112 N 0.00 0.00 0.45 -0.43 3.58 -1.30 0.20 116.42 118.92 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 0.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.38 1sgo h ASP 112 CO 0.00 0.00 -1.04 0.41 -2.88 0.00 0.00 179.24 175.73 1sgo n THR 113 N -2.80 0.19 -0.03 2.25 -1.04 -0.38 -4.54 114.28 107.93 1sgo n THR 113 Ca 0.04 -0.26 -0.06 0.00 -2.04 0.00 0.00 64.05 61.73 1sgo n THR 113 Cb 0.48 0.17 -0.03 0.00 -1.82 0.00 0.00 70.33 69.13 1sgo n THR 113 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1sgo n LEU 114 N -2.00 1.95 -4.36 -4.42 4.77 -1.00 -5.00 117.00 106.94 1sgo n LEU 114 Ca 0.02 0.02 -0.37 0.00 -0.03 0.00 0.00 56.01 55.65 1sgo n LEU 114 Cb 0.44 -0.23 -0.13 0.00 -2.33 0.00 0.00 43.42 41.18 1sgo n LEU 114 CO 0.40 0.42 -0.30 -0.44 -1.33 0.00 0.00 177.39 176.14 1sgo s SER 115 N -5.07 4.95 0.27 -1.43 0.01 0.67 -4.95 113.70 108.15 1sgo s SER 115 Ca -0.09 -0.52 0.05 0.00 1.31 0.00 0.00 55.95 56.70 1sgo s SER 115 Cb 0.03 -1.86 0.38 0.00 0.21 0.00 0.00 66.02 64.78 1sgo s SER 115 CO 0.14 -0.12 1.66 1.55 0.41 0.00 0.00 173.24 176.89 1sgo h PRO 116 N 8.21 0.29 0.00 12.44 0.13 -1.88 -3.02 132.00 148.16 1sgo h PRO 116 Ca -0.35 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1sgo h PRO 116 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1sgo h PRO 116 CO 0.60 0.68 0.00 0.00 -0.23 0.00 0.00 178.00 179.05 1sgo h ALA 117 N 1.30 1.00 -0.65 -0.56 0.00 -1.94 -3.12 119.26 115.29 1sgo h ALA 117 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1sgo h ALA 117 Cb 0.88 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1sgo h ALA 117 CO 0.07 0.00 0.42 -0.92 0.00 0.00 0.00 179.25 178.82 1sgo h TYR 118 N 0.00 0.79 -0.29 0.00 3.20 -1.76 0.21 116.97 119.12 1sgo h TYR 118 Ca 0.00 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 1sgo h TYR 118 Cb 0.74 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 1sgo h TYR 118 CO 0.00 0.47 -0.25 0.00 -1.64 0.00 0.00 178.16 176.74 1sgo h ARG 119 N 0.84 0.56 -0.00 1.82 2.47 -1.67 -1.20 114.38 117.18 1sgo h ARG 119 Ca 0.25 -0.22 -0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1sgo h ARG 119 Cb -0.04 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 1sgo h ARG 119 CO -0.08 0.76 -0.01 1.49 0.56 0.00 0.00 179.97 182.69 1sgo h GLU 120 N 0.49 0.01 -0.14 0.04 4.81 -1.54 -3.30 114.58 114.95 1sgo h GLU 120 Ca 0.07 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1sgo h GLU 120 Cb 0.70 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1sgo h GLU 120 CO 0.05 0.62 -0.14 0.00 -0.73 0.00 0.00 179.01 178.82 1sgo h ALA 121 N 0.39 1.50 -0.90 2.92 0.00 -0.50 -2.36 119.26 120.31 1sgo h ALA 121 Ca -0.00 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1sgo h ALA 121 Cb 0.63 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1sgo h ALA 121 CO 0.00 0.35 0.59 0.35 0.00 0.00 0.00 179.25 180.55 1sgo h PHE 122 N 0.22 1.12 0.00 0.00 3.57 -1.29 -1.23 116.94 119.32 1sgo h PHE 122 Ca 0.04 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 1sgo h PHE 122 Cb 0.38 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1sgo h PHE 122 CO 0.01 0.70 -0.28 0.78 -2.23 0.00 0.00 178.31 177.29 1sgo h GLY 123 N 1.20 0.00 1.65 2.40 0.00 -1.50 -3.05 103.07 103.78 1sgo h GLY 123 Ca 0.33 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.60 1sgo h GLY 123 CO -0.08 0.00 -0.11 3.43 0.00 0.00 0.00 176.54 179.78 1sgo h ASN 124 N 0.00 0.41 -0.01 0.19 -0.26 -1.17 -0.52 115.58 114.22 1sgo h ASN 124 Ca -0.00 -0.10 -0.03 0.00 -0.56 0.00 0.00 56.30 55.61 1sgo h ASN 124 Cb 0.64 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.79 1sgo h ASN 124 CO 0.04 0.56 -0.10 0.00 -1.06 0.00 0.00 177.43 176.87 1sgo h ALA 125 N 1.49 0.02 -0.91 -0.83 0.00 -1.52 0.90 119.26 118.41 1sgo h ALA 125 Ca 0.08 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1sgo h ALA 125 Cb 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1sgo h ALA 125 CO 0.02 -0.04 0.56 -0.07 0.00 0.00 0.00 179.25 179.73 1sgo h LEU 126 N -0.60 1.08 -0.27 0.00 4.07 -1.59 -1.85 115.31 116.14 1sgo h LEU 126 Ca -0.01 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 1sgo h LEU 126 Cb 0.83 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 1sgo h LEU 126 CO 0.02 0.81 0.12 0.25 -1.08 0.00 0.00 178.44 178.57 1sgo h LEU 127 N 1.25 0.37 -2.31 1.67 7.12 -1.08 -2.75 115.31 119.57 1sgo h LEU 127 Ca 0.33 -0.14 -0.01 0.00 0.13 0.00 0.00 57.88 58.19 1sgo h LEU 127 Cb -0.08 -0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 39.95 1sgo h LEU 127 CO -0.06 0.40 -0.03 -0.61 -0.13 0.00 0.00 178.44 178.01 1sgo h GLN 128 N 0.30 0.00 0.00 1.25 5.75 -0.15 -1.79 115.11 120.47 1sgo h GLN 128 Ca 0.09 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 1sgo h GLN 128 Cb 0.14 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.69 1sgo h GLN 128 CO -0.01 0.03 0.00 -2.13 -2.65 0.00 0.00 178.83 174.07 1sgo n ARG 129 N -3.29 0.59 0.22 1.69 0.63 -0.76 -2.83 116.66 112.92 1sgo n ARG 129 Ca -0.02 0.01 0.12 0.00 -0.92 0.00 0.00 57.85 57.04 1sgo n ARG 129 Cb 0.17 -1.50 0.25 0.00 0.45 0.00 0.00 32.46 31.83 1sgo n ARG 129 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1sgo h LEU 130 N 0.00 0.00 -1.74 6.15 4.07 -1.42 -3.17 115.31 119.20 1sgo h LEU 130 Ca 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 1sgo h LEU 130 Cb 0.18 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.92 1sgo h LEU 130 CO 0.00 0.06 -0.11 -0.33 -1.08 0.00 0.00 178.44 176.98 1sgo h GLU 131 N 0.00 0.03 -0.83 1.13 5.08 -1.73 -2.37 114.58 115.89 1sgo h GLU 131 Ca -0.00 -0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.56 1sgo h GLU 131 Cb 0.95 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.15 1sgo h GLU 131 CO 0.01 0.14 0.57 0.00 -1.00 0.00 0.00 179.01 178.73 1sgo h ALA 132 N 1.86 2.44 -0.05 3.43 0.00 -1.78 0.36 119.26 125.53 1sgo h ALA 132 Ca 0.01 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1sgo h ALA 132 Cb 0.21 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1sgo h ALA 132 CO 0.01 -0.69 -0.75 -0.07 0.00 0.00 0.00 179.25 177.76 1sgo h LEU 133 N 0.22 0.75 -0.38 0.00 3.38 -1.65 -2.48 115.31 115.15 1sgo h LEU 133 Ca 0.41 -0.70 -0.18 0.00 0.09 0.00 0.00 57.88 57.50 1sgo h LEU 133 Cb 1.28 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1sgo h LEU 133 CO -0.09 1.35 -0.62 0.11 0.09 0.00 0.00 178.44 179.27 1sgo h LYS 134 N 0.22 0.66 0.00 1.13 1.79 -0.98 -1.67 116.57 117.72 1sgo h LYS 134 Ca -0.08 -0.45 0.00 0.00 -2.18 0.00 0.00 60.65 57.94 1sgo h LYS 134 Cb 1.41 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.13 1sgo h LYS 134 CO 0.15 1.07 0.00 0.00 -1.08 0.00 0.00 179.45 179.59 1sgo h ARG 135 N 0.48 0.00 0.03 3.15 3.08 -0.50 -3.25 114.38 117.38 1sgo h ARG 135 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1sgo h ARG 135 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1sgo h ARG 135 CO 0.12 0.00 -0.02 0.22 -1.07 0.00 0.00 179.97 179.23 1sgo h ASP 136 N 0.00 -0.04 -2.55 7.04 1.82 -1.18 -3.46 116.42 118.06 1sgo h ASP 136 Ca 0.00 -0.39 -0.26 0.00 -0.39 0.00 0.00 57.03 55.99 1sgo h ASP 136 Cb 0.77 0.01 -0.34 0.00 0.68 0.00 0.00 39.33 40.45 1sgo h ASP 136 CO 0.00 0.64 -0.57 -0.83 -1.61 0.00 0.00 179.24 176.87 1sgo s GLY 137 N -3.73 -0.09 -0.21 -0.78 0.00 -0.65 -5.10 107.32 96.75 1sgo s GLY 137 Ca -0.08 0.57 -0.21 0.00 0.00 0.00 0.00 44.72 45.00 1sgo s GLY 137 CO 0.31 2.16 0.64 1.62 0.00 0.00 0.00 173.10 177.83 1sgo s GLN 138 N 2.39 4.18 0.00 2.90 0.74 -1.23 -4.55 119.66 124.09 1sgo s GLN 138 Ca 0.06 0.62 0.19 0.00 0.05 0.00 0.00 55.36 56.28 1sgo s GLN 138 Cb -0.14 -3.60 0.15 0.00 1.10 0.00 0.00 33.01 30.52 1sgo s GLN 138 CO -0.11 -0.30 1.12 0.43 -0.55 0.00 0.00 175.29 175.87