#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 -2.53 -0.00 3.17 4.07 -1.26 -4.88 120.64 119.20 1sgo n GLU 2 Ca 0.00 1.98 0.00 0.00 -0.06 0.00 0.00 57.16 59.09 1sgo n GLU 2 Cb 0.00 -2.54 0.00 0.00 -0.06 0.00 0.00 31.44 28.84 1sgo n GLU 2 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 1sgo n THR 3 N -2.46 0.58 -4.48 6.31 5.66 -1.26 -5.03 114.28 113.61 1sgo n THR 3 Ca -0.01 -0.79 -0.30 0.00 -3.05 0.00 0.00 64.05 59.89 1sgo n THR 3 Cb 0.33 0.71 -0.12 0.00 -1.55 0.00 0.00 70.33 69.70 1sgo n THR 3 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1sgo s ASP 4 N -0.59 3.90 -0.41 1.09 2.15 -1.26 -5.06 116.67 116.50 1sgo s ASP 4 Ca 0.00 -0.47 0.08 0.00 0.43 0.00 0.00 52.55 52.59 1sgo s ASP 4 Cb 0.00 -0.62 0.25 0.00 -0.30 0.00 0.00 42.92 42.26 1sgo s ASP 4 CO 0.00 0.22 0.59 0.00 -0.17 0.00 0.00 175.17 175.81 1sgo n ASN 6 N 1.42 -2.67 0.00 0.00 5.15 -1.26 -5.05 115.26 112.86 1sgo n ASN 6 Ca 0.19 0.85 0.00 0.00 -0.60 0.00 0.00 54.58 55.02 1sgo n ASN 6 Cb 0.55 -3.65 0.00 0.00 -0.53 0.00 0.00 39.78 36.15 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 0.83 0.00 -4.26 1.20 -0.04 -1.26 -5.01 135.00 126.46 1sgo n PRO 7 Ca -0.17 0.02 -0.25 0.00 -0.04 0.00 0.00 63.50 63.06 1sgo n PRO 7 Cb 0.26 -0.62 -0.08 0.00 -0.04 0.00 0.00 33.50 33.02 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 -0.25 2.16 -0.14 0.54 -1.94 -1.26 -5.10 119.30 113.31 1sgo s MET 8 Ca 0.00 -1.91 -0.27 0.00 -1.71 0.00 0.00 55.69 51.81 1sgo s MET 8 Cb 0.00 -1.90 -0.01 0.00 2.01 0.00 0.00 34.83 34.93 1sgo s MET 8 CO 0.00 -0.09 0.88 -1.21 -0.01 0.00 0.00 175.02 174.59 1sgo s GLU 9 N -3.85 4.34 1.02 2.03 2.02 -1.26 -5.04 118.70 117.96 1sgo s GLU 9 Ca 0.39 1.13 -0.15 0.00 0.02 0.00 0.00 54.97 56.37 1sgo s GLU 9 Cb 0.05 -3.56 0.20 0.00 0.10 0.00 0.00 34.13 30.93 1sgo s GLU 9 CO 0.21 -0.30 1.14 -1.17 0.02 0.00 0.00 175.26 175.16 1sgo s LEU 10 N 2.03 1.62 0.29 1.80 2.96 -1.26 -4.89 118.68 121.24 1sgo s LEU 10 Ca 0.41 0.82 0.21 0.00 -0.22 0.00 0.00 54.13 55.36 1sgo s LEU 10 Cb -0.17 -2.90 1.09 0.00 0.50 0.00 0.00 46.19 44.70 1sgo s LEU 10 CO 0.14 -3.17 1.65 -1.20 -1.32 0.00 0.00 176.35 172.45 1sgo n SER 11 N -4.15 0.56 -3.88 3.68 7.64 -1.26 -4.51 113.62 111.70 1sgo n SER 11 Ca 0.09 0.73 -0.11 0.00 1.01 0.00 0.00 58.87 60.60 1sgo n SER 11 Cb 0.59 -0.82 -0.09 0.00 -1.01 0.00 0.00 64.21 62.88 1sgo n SER 11 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1sgo s SER 12 N -4.03 0.05 -0.36 6.43 0.15 -1.26 -5.04 113.70 109.64 1sgo s SER 12 Ca -0.01 -0.30 -0.28 0.00 0.70 0.00 0.00 55.95 56.06 1sgo s SER 12 Cb 0.07 0.23 -0.01 0.00 -1.71 0.00 0.00 66.02 64.59 1sgo s SER 12 CO 0.23 -0.44 1.69 -0.04 1.20 0.00 0.00 173.24 175.88 1sgo s MET 13 N -1.88 3.39 -1.19 5.44 1.00 -1.26 -0.80 119.30 124.00 1sgo s MET 13 Ca -0.11 1.26 0.00 0.00 0.00 0.00 0.00 55.69 56.85 1sgo s MET 13 Cb -0.05 -4.15 0.00 0.00 0.00 0.00 0.00 34.83 30.63 1sgo s MET 13 CO -0.01 -1.79 0.00 0.43 0.00 0.00 0.00 175.02 173.65 1sgo n SER 14 N 9.90 -4.58 -0.24 3.03 7.64 -1.26 -4.71 113.62 123.40 1sgo n SER 14 Ca 0.21 0.28 0.02 0.00 1.01 0.00 0.00 58.87 60.39 1sgo n SER 14 Cb 0.47 -3.07 -0.01 0.00 -1.01 0.00 0.00 64.21 60.60 1sgo n SER 14 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sgo n GLY 15 N -1.30 -2.09 3.55 0.23 0.00 0.02 -4.50 105.19 101.09 1sgo n GLY 15 Ca -0.11 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.07 1sgo n GLY 15 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sgo s PHE 16 N -0.80 2.35 0.13 1.61 5.36 -1.26 -4.82 117.98 120.55 1sgo s PHE 16 Ca 0.00 -0.32 -0.29 0.00 -0.96 0.00 0.00 56.93 55.36 1sgo s PHE 16 Cb 0.00 -4.64 -0.06 0.00 -0.34 0.00 0.00 43.02 37.98 1sgo s PHE 16 CO 0.00 -2.03 1.59 0.93 -1.46 0.00 0.00 175.22 174.25 1sgo h GLU 17 N 10.07 -0.50 -1.55 10.12 5.08 -1.85 -3.45 114.58 132.50 1sgo h GLU 17 Ca -0.10 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.38 1sgo h GLU 17 Cb 1.04 0.11 -0.24 0.00 0.50 0.00 0.00 28.75 30.16 1sgo h GLU 17 CO 1.33 -0.33 0.55 -2.00 -1.00 0.00 0.00 179.01 177.56 1sgo s GLU 18 N -5.92 0.56 -0.36 2.33 2.56 -1.26 -5.06 118.70 111.56 1sgo s GLU 18 Ca -0.16 0.20 0.06 0.00 0.00 0.00 0.00 54.97 55.08 1sgo s GLU 18 Cb 0.09 0.27 0.49 0.00 2.00 0.00 0.00 34.13 36.97 1sgo s GLU 18 CO 0.64 -0.16 1.48 0.41 -0.56 0.00 0.00 175.26 177.07 1sgo n GLY 19 N 0.94 5.50 0.21 -1.50 0.00 -1.26 -4.61 105.19 104.48 1sgo n GLY 19 Ca -0.10 -1.82 -0.04 0.00 0.00 0.00 0.00 46.02 44.05 1sgo n GLY 19 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1sgo h SER 20 N 1.50 0.42 -6.21 1.61 0.02 -2.02 -3.47 113.55 105.41 1sgo h SER 20 Ca 0.33 -0.17 -0.46 0.00 -0.84 0.00 0.00 61.79 60.65 1sgo h SER 20 Cb 1.50 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.92 1sgo h SER 20 CO 0.70 0.77 -0.75 -0.62 -1.14 0.00 0.00 176.83 175.79 1sgo n GLU 21 N -4.04 -5.98 -2.64 3.45 -0.58 -1.26 -4.92 120.64 104.67 1sgo n GLU 21 Ca -0.01 0.64 -0.42 0.00 -0.42 0.00 0.00 57.16 56.95 1sgo n GLU 21 Cb 0.48 -5.56 -0.03 0.00 -0.57 0.00 0.00 31.44 25.77 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 -7.26 4.26 -0.86 -4.62 1.43 -1.26 -4.96 118.68 105.40 1sgo s LEU 22 Ca 0.62 1.60 -0.25 0.00 -1.03 0.00 0.00 54.13 55.07 1sgo s LEU 22 Cb -0.30 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.37 1sgo s LEU 22 CO 0.81 -0.47 1.60 0.20 0.23 0.00 0.00 176.35 178.71 1sgo s ASN 23 N 1.18 5.89 0.00 2.29 0.01 -1.26 -4.27 114.94 118.78 1sgo s ASN 23 Ca 0.50 -0.74 0.00 0.00 -0.71 0.00 0.00 52.86 51.92 1sgo s ASN 23 Cb -0.20 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 38.90 1sgo s ASN 23 CO 0.19 -2.03 0.00 0.61 -1.51 0.00 0.00 177.10 174.36 1sgo n GLY 24 N 6.33 -0.04 3.53 0.66 0.00 -1.26 -5.03 105.19 109.38 1sgo n GLY 24 Ca 0.26 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 1sgo n GLY 24 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sgo s PHE 25 N 0.00 2.82 -0.06 1.61 0.08 -1.26 -4.89 117.98 116.28 1sgo s PHE 25 Ca 0.00 0.04 -0.04 0.00 0.12 0.00 0.00 56.93 57.04 1sgo s PHE 25 Cb 0.00 -4.04 -0.01 0.00 -0.57 0.00 0.00 43.02 38.40 1sgo s PHE 25 CO 0.00 -1.30 -0.08 0.39 -0.10 0.00 0.00 175.22 174.12 1sgo n GLU 26 N 7.38 0.19 0.00 0.44 1.02 -1.26 -4.98 120.64 123.43 1sgo n GLU 26 Ca 0.02 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 1sgo n GLU 26 Cb 0.48 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.82 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 1.65 2.01 3.17 0.62 0.00 -1.26 -4.88 105.19 106.50 1sgo n GLY 27 Ca -0.03 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 1sgo n GLY 27 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sgo n THR 28 N 0.00 3.80 -0.07 2.61 -1.04 -1.26 -4.56 114.28 113.77 1sgo n THR 28 Ca 0.00 -3.73 -0.12 0.00 -2.04 0.00 0.00 64.05 58.16 1sgo n THR 28 Cb 0.00 -2.47 -0.11 0.00 -1.82 0.00 0.00 70.33 65.94 1sgo n THR 28 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1sgo h ASP 29 N 6.75 0.00 -5.25 8.00 3.58 -2.05 -3.50 116.42 123.95 1sgo h ASP 29 Ca 0.48 -0.81 -0.00 0.00 0.42 0.00 0.00 57.03 57.12 1sgo h ASP 29 Cb 0.76 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.81 1sgo h ASP 29 CO 1.63 0.92 -0.98 0.80 -2.88 0.00 0.00 179.24 178.73 1sgo n MET 30 N -4.64 -3.22 -4.56 0.28 0.00 -1.26 -5.06 117.12 98.66 1sgo n MET 30 Ca -0.08 2.62 -0.21 0.00 -0.00 0.00 0.00 57.70 60.02 1sgo n MET 30 Cb 0.40 -5.08 -0.15 0.00 0.00 0.00 0.00 33.22 28.39 1sgo n MET 30 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 1sgo s LYS 31 N -1.64 1.04 -0.19 2.12 2.47 -1.26 -5.09 119.74 117.18 1sgo s LYS 31 Ca 0.01 -0.44 -0.29 0.00 -1.56 0.00 0.00 55.97 53.70 1sgo s LYS 31 Cb -0.00 -1.00 -0.04 0.00 -1.46 0.00 0.00 37.83 35.33 1sgo s LYS 31 CO 0.73 0.25 1.83 -0.51 0.16 0.00 0.00 175.35 177.81 1sgo s ASP 32 N -0.23 6.12 0.40 1.43 1.01 -1.26 -4.76 116.67 119.37 1sgo s ASP 32 Ca 0.04 1.80 0.09 0.00 0.71 0.00 0.00 52.55 55.19 1sgo s ASP 32 Cb -0.05 -2.53 0.82 0.00 1.01 0.00 0.00 42.92 42.17 1sgo s ASP 32 CO -0.00 -1.44 1.95 -0.03 0.21 0.00 0.00 175.17 175.85 1sgo h MET 33 N 11.93 0.27 -0.02 8.23 1.85 -0.99 0.00 114.93 136.20 1sgo h MET 33 Ca -0.38 -0.05 -0.09 0.00 -0.61 0.00 0.00 59.70 58.57 1sgo h MET 33 Cb 1.19 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 33.16 1sgo h MET 33 CO 0.99 0.36 -0.43 -0.09 -0.40 0.00 0.00 176.91 177.33 1sgo h ARG 34 N 0.26 0.04 0.49 0.39 2.43 -1.79 -1.33 114.38 114.86 1sgo h ARG 34 Ca 0.06 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1sgo h ARG 34 Cb 0.30 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1sgo h ARG 34 CO 0.01 0.46 -0.24 1.25 -1.51 0.00 0.00 179.97 179.95 1sgo h LEU 35 N 0.03 -0.56 -1.81 3.80 5.85 -1.29 -2.13 115.31 119.20 1sgo h LEU 35 Ca -0.00 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.67 1sgo h LEU 35 Cb 0.77 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1sgo h LEU 35 CO 0.06 -0.18 0.18 -0.33 -0.34 0.00 0.00 178.44 177.82 1sgo h GLU 36 N -1.02 0.25 -0.11 1.25 4.39 -1.33 -1.70 114.58 116.30 1sgo h GLU 36 Ca -0.07 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1sgo h GLU 36 Cb 0.60 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1sgo h GLU 36 CO 0.11 0.16 0.05 0.00 -1.16 0.00 0.00 179.01 178.17 1sgo h ALA 37 N 1.85 0.14 -0.60 3.43 0.00 -1.16 0.72 119.26 123.64 1sgo h ALA 37 Ca 0.11 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1sgo h ALA 37 Cb 0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1sgo h ALA 37 CO -0.02 -0.29 0.19 1.49 0.00 0.00 0.00 179.25 180.62 1sgo h GLU 38 N 0.04 0.90 -0.23 0.00 4.57 -0.69 0.21 114.58 119.39 1sgo h GLU 38 Ca 0.04 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 1sgo h GLU 38 Cb 0.14 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1sgo h GLU 38 CO -0.00 0.77 0.12 0.00 -1.18 0.00 0.00 179.01 178.72 1sgo h ALA 39 N 1.33 0.29 -0.05 2.92 0.00 -1.02 -1.28 119.26 121.45 1sgo h ALA 39 Ca 0.20 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1sgo h ALA 39 Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1sgo h ALA 39 CO -0.01 -0.16 0.02 0.28 0.00 0.00 0.00 179.25 179.38 1sgo h VAL 40 N 0.25 0.98 -0.40 0.00 2.07 -0.36 -0.47 116.25 118.32 1sgo h VAL 40 Ca 0.08 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.64 1sgo h VAL 40 Cb 0.09 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1sgo h VAL 40 CO -0.01 0.01 0.13 0.58 0.02 0.00 0.00 177.57 178.29 1sgo h VAL 41 N 0.04 0.86 -0.38 2.57 2.07 -0.85 -1.76 116.25 118.81 1sgo h VAL 41 Ca 0.02 -0.10 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 1sgo h VAL 41 Cb 0.01 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1sgo h VAL 41 CO -0.03 0.05 -0.19 -1.13 0.02 0.00 0.00 177.57 176.29 1sgo h ASN 42 N 0.28 0.72 -0.06 0.57 -0.00 -1.09 -1.78 115.58 114.22 1sgo h ASN 42 Ca 0.19 -0.24 -0.01 0.00 -0.00 0.00 0.00 56.30 56.23 1sgo h ASN 42 Cb 0.19 -0.20 -0.00 0.00 -0.00 0.00 0.00 38.32 38.31 1sgo h ASN 42 CO -0.21 0.91 -0.02 -0.78 -0.00 0.00 0.00 177.43 177.33 1sgo h ASP 43 N 0.63 0.12 -0.53 1.15 3.58 -0.41 -3.20 116.42 117.77 1sgo h ASP 43 Ca 0.10 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 57.17 1sgo h ASP 43 Cb 0.68 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.69 1sgo h ASP 43 CO 0.05 0.47 0.00 1.33 -2.88 0.00 0.00 179.24 178.21 1sgo n VAL 44 N -4.82 2.05 -0.17 2.25 0.24 -0.72 -4.54 118.33 112.62 1sgo n VAL 44 Ca -0.07 -1.36 0.09 0.00 -2.04 0.00 0.00 64.34 60.95 1sgo n VAL 44 Cb 0.23 0.00 0.39 0.00 -1.47 0.00 0.00 33.84 32.99 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 3.42 0.60 0.00 1.34 5.85 -1.31 -0.22 115.31 124.99 1sgo h LEU 45 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1sgo h LEU 45 Cb 1.50 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1sgo h LEU 45 CO 0.27 0.37 0.00 2.22 -0.34 0.00 0.00 178.44 180.95 1sgo n PHE 46 N -4.49 0.00 0.59 1.25 -1.74 -1.26 -2.93 117.46 108.88 1sgo n PHE 46 Ca 0.11 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 57.12 1sgo n PHE 46 Cb 0.30 -0.49 0.18 0.00 1.52 0.00 0.00 39.48 40.98 1sgo n PHE 46 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1sgo n ALA 47 N -1.49 2.94 -3.90 1.98 0.00 -0.09 -4.92 120.51 115.02 1sgo n ALA 47 Ca 0.06 -0.25 -0.08 0.00 0.00 0.00 0.00 53.44 53.17 1sgo n ALA 47 Cb 0.28 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 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 -2.08 0.00 -0.07 0.00 0.24 -1.15 -4.26 118.33 111.01 1sgo n VAL 48 Ca 0.03 -0.64 -0.10 0.00 -2.04 0.00 0.00 64.34 61.59 1sgo n VAL 48 Cb 0.43 0.20 -0.07 0.00 -1.47 0.00 0.00 33.84 32.93 1sgo n VAL 48 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 1sgo h ASN 49 N 0.40 0.00 -4.99 -1.34 2.35 -0.93 -3.43 115.58 107.64 1sgo h ASN 49 Ca -0.10 -0.41 -0.16 0.00 -0.55 0.00 0.00 56.30 55.09 1sgo h ASN 49 Cb 0.33 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 38.50 1sgo h ASN 49 CO 0.15 0.92 -0.62 0.21 -1.65 0.00 0.00 177.43 176.45 1sgo s ASN 50 N -6.08 0.17 -0.23 5.81 2.47 -0.95 -5.03 114.94 111.10 1sgo s ASN 50 Ca -0.15 -0.41 -0.15 0.00 0.42 0.00 0.00 52.86 52.56 1sgo s ASN 50 Cb 0.01 0.14 0.07 0.00 -1.45 0.00 0.00 41.25 40.02 1sgo s ASN 50 CO 0.38 -0.34 0.58 -0.32 -3.72 0.00 0.00 177.10 173.68 1sgo s MET 51 N -1.54 0.61 -0.08 0.43 1.75 -1.26 -0.23 119.30 118.98 1sgo s MET 51 Ca -0.15 0.99 -0.19 0.00 -1.25 0.00 0.00 55.69 55.09 1sgo s MET 51 Cb -0.08 0.15 0.04 0.00 2.84 0.00 0.00 34.83 37.78 1sgo s MET 51 CO -0.00 -0.13 0.46 0.12 -0.65 0.00 0.00 175.02 174.81 1sgo s PHE 52 N 1.20 -0.41 0.46 4.11 5.36 -0.48 -4.98 117.98 123.24 1sgo s PHE 52 Ca -0.07 0.82 -0.08 0.00 -0.96 0.00 0.00 56.93 56.64 1sgo s PHE 52 Cb -0.06 0.20 0.12 0.00 -0.34 0.00 0.00 43.02 42.94 1sgo s PHE 52 CO -0.12 -0.40 0.39 1.33 -1.46 0.00 0.00 175.22 174.96 1sgo n VAL 53 N 1.70 0.00 -1.48 3.12 0.24 -1.26 -0.15 118.33 120.51 1sgo n VAL 53 Ca -0.18 -0.15 -0.51 0.00 -2.04 0.00 0.00 64.34 61.46 1sgo n VAL 53 Cb 0.56 -0.98 -0.07 0.00 -1.47 0.00 0.00 33.84 31.89 1sgo n VAL 53 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1sgo n SER 54 N -3.73 2.23 0.16 -1.34 7.64 0.83 -4.32 113.62 115.10 1sgo n SER 54 Ca 0.05 0.48 0.08 0.00 1.01 0.00 0.00 58.87 60.50 1sgo n SER 54 Cb 0.22 -1.26 0.08 0.00 -1.01 0.00 0.00 64.21 62.23 1sgo n SER 54 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1sgo h LYS 55 N 11.90 0.00 0.00 1.43 3.64 -1.87 -3.40 116.57 128.27 1sgo h LYS 55 Ca -0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1sgo h LYS 55 Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1sgo h LYS 55 CO 1.01 0.19 0.00 0.43 -2.27 0.00 0.00 179.45 178.81 1sgo n SER 56 N -3.06 0.00 -0.17 4.20 7.64 -1.26 -5.11 113.62 115.86 1sgo n SER 56 Ca 0.02 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.90 1sgo n SER 56 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 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 0.00 0.00 -4.33 -3.43 7.99 -1.26 -5.12 117.00 110.85 1sgo n LEU 57 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 56.01 55.71 1sgo n LEU 57 Cb 0.31 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.47 1sgo n LEU 57 CO 0.00 0.00 -0.56 0.00 -1.51 0.00 0.00 177.39 175.32 1sgo s ARG 58 N 3.32 1.69 -0.29 3.23 1.70 -1.26 -4.99 118.95 122.35 1sgo s ARG 58 Ca 0.00 -1.09 -0.14 0.00 -0.47 0.00 0.00 55.73 54.03 1sgo s ARG 58 Cb 0.00 -1.87 0.12 0.00 -0.57 0.00 0.00 34.95 32.63 1sgo s ARG 58 CO 0.00 0.48 0.79 0.00 -1.08 0.00 0.00 175.30 175.49 1sgo n ALA 60 N 4.69 0.00 0.00 0.00 0.00 -0.87 -4.73 120.51 119.60 1sgo n ALA 60 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1sgo n ALA 60 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1sgo n ALA 60 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1sgo n ASP 61 N -3.27 0.04 -0.01 0.00 -0.08 -1.26 -1.10 116.55 110.88 1sgo n ASP 61 Ca 0.00 0.01 0.10 0.00 -1.51 0.00 0.00 54.79 53.39 1sgo n ASP 61 Cb 0.00 -0.01 -0.17 0.00 2.34 0.00 0.00 41.12 43.28 1sgo n ASP 61 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1sgo n ASP 62 N -2.55 0.11 -4.01 1.67 2.03 -1.26 -2.93 116.55 109.62 1sgo n ASP 62 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 1sgo n ASP 62 Cb 0.00 1.93 -0.12 0.00 -0.72 0.00 0.00 41.12 42.21 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 -3.44 0.41 -0.29 5.18 0.11 -1.26 -3.61 120.40 117.51 1sgo s VAL 63 Ca -0.08 -0.75 -0.06 0.00 -2.93 0.00 0.00 61.98 58.16 1sgo s VAL 63 Cb 0.13 -0.45 0.15 0.00 -1.53 0.00 0.00 36.38 34.68 1sgo s VAL 63 CO 0.89 -0.24 0.60 0.00 -3.33 0.00 0.00 175.10 173.01 1sgo s ALA 64 N -0.95 -1.99 0.27 1.54 0.00 0.40 -2.05 121.76 118.97 1sgo s ALA 64 Ca -0.07 2.01 -0.18 0.00 0.00 0.00 0.00 51.96 53.73 1sgo s ALA 64 Cb -0.07 -1.87 -0.09 0.00 0.00 0.00 0.00 23.12 21.09 1sgo s ALA 64 CO 0.00 -1.07 0.73 0.71 0.00 0.00 0.00 175.76 176.13 1sgo s TYR 65 N 2.84 3.53 -0.06 0.00 1.51 -1.22 -0.41 117.35 123.54 1sgo s TYR 65 Ca 0.05 1.32 0.01 0.00 -1.01 0.00 0.00 57.07 57.44 1sgo s TYR 65 Cb -0.13 -2.59 0.02 0.00 -0.11 0.00 0.00 41.96 39.15 1sgo s TYR 65 CO -0.19 0.23 -0.05 0.42 -1.11 0.00 0.00 175.55 174.85 1sgo s ILE 66 N -1.72 0.66 -0.43 2.71 1.01 0.73 -0.12 121.20 124.04 1sgo s ILE 66 Ca 0.48 -0.16 -0.21 0.00 0.00 0.00 0.00 60.65 60.75 1sgo s ILE 66 Cb -0.14 -0.69 0.02 0.00 0.01 0.00 0.00 42.46 41.67 1sgo s ILE 66 CO 0.19 0.27 0.67 0.20 0.00 0.00 0.00 174.94 176.27 1sgo s ASN 67 N 1.10 6.35 -0.05 3.58 -0.87 0.79 -1.30 114.94 124.55 1sgo s ASN 67 Ca -0.08 -0.24 0.05 0.00 -1.57 0.00 0.00 52.86 51.02 1sgo s ASN 67 Cb -0.14 -2.33 -0.02 0.00 -0.02 0.00 0.00 41.25 38.73 1sgo s ASN 67 CO -0.01 -0.78 -0.18 0.54 -2.57 0.00 0.00 177.10 174.10 1sgo s VAL 68 N 2.90 2.74 -0.28 1.60 0.11 -0.74 -1.38 120.40 125.35 1sgo s VAL 68 Ca 0.24 -0.84 0.02 0.00 -2.93 0.00 0.00 61.98 58.47 1sgo s VAL 68 Cb -0.14 -2.05 0.08 0.00 -1.53 0.00 0.00 36.38 32.75 1sgo s VAL 68 CO 0.19 0.58 -0.01 -0.70 -3.33 0.00 0.00 175.10 171.84 1sgo s GLU 69 N -0.58 1.53 1.00 1.54 2.12 0.68 -0.85 118.70 124.14 1sgo s GLU 69 Ca 0.08 -1.35 -0.12 0.00 0.36 0.00 0.00 54.97 53.95 1sgo s GLU 69 Cb -0.11 -2.75 0.19 0.00 0.26 0.00 0.00 34.13 31.72 1sgo s GLU 69 CO 0.01 -0.77 1.08 0.95 -0.54 0.00 0.00 175.26 175.99 1sgo s THR 70 N 1.22 2.27 0.41 -1.70 -4.23 0.06 -0.55 115.64 113.13 1sgo s THR 70 Ca 0.02 0.09 0.24 0.00 -1.18 0.00 0.00 61.69 60.86 1sgo s THR 70 Cb -0.19 -2.31 0.26 0.00 1.34 0.00 0.00 72.50 71.60 1sgo s THR 70 CO -0.10 -0.12 2.03 0.11 -0.54 0.00 0.00 174.62 176.01 1sgo h LYS 71 N -2.02 0.00 0.00 3.99 1.57 -1.83 0.77 116.57 119.04 1sgo h LYS 71 Ca -0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1sgo h LYS 71 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1sgo h LYS 71 CO 0.50 0.15 0.00 0.39 -0.57 0.00 0.00 179.45 179.92 1sgo n GLU 72 N -3.77 0.68 -0.88 3.15 4.71 -1.26 -4.83 120.64 118.44 1sgo n GLU 72 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.13 1sgo n GLU 72 Cb 0.26 -1.39 0.00 0.00 -1.01 0.00 0.00 31.44 29.29 1sgo n GLU 72 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 1sgo n ARG 73 N -0.89 -0.13 -2.55 3.49 3.00 0.26 -4.98 116.66 114.85 1sgo n ARG 73 Ca 0.13 0.03 -0.41 0.00 -0.00 0.00 0.00 57.85 57.60 1sgo n ARG 73 Cb 0.06 -3.22 -0.04 0.00 0.00 0.00 0.00 32.46 29.26 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 -2.54 7.30 -0.14 6.15 3.84 -1.26 -4.76 114.94 123.53 1sgo s ASN 74 Ca 0.00 2.02 -0.01 0.00 0.21 0.00 0.00 52.86 55.08 1sgo s ASN 74 Cb 0.00 -2.60 -0.02 0.00 -0.55 0.00 0.00 41.25 38.09 1sgo s ASN 74 CO 0.00 -0.21 -0.11 -0.13 -2.79 0.00 0.00 177.10 173.86 1sgo s ARG 75 N -0.18 3.42 0.04 0.43 0.52 -1.26 -0.76 118.95 121.16 1sgo s ARG 75 Ca 0.50 -0.66 0.09 0.00 -0.52 0.00 0.00 55.73 55.14 1sgo s ARG 75 Cb -0.28 -2.71 -0.03 0.00 0.52 0.00 0.00 34.95 32.45 1sgo s ARG 75 CO 0.33 0.17 -0.26 0.71 0.02 0.00 0.00 175.30 176.28 1sgo s TYR 76 N 0.48 2.34 -0.40 -0.53 2.02 -0.03 -3.52 117.35 117.71 1sgo s TYR 76 Ca -0.08 -0.40 -0.11 0.00 -0.37 0.00 0.00 57.07 56.10 1sgo s TYR 76 Cb -0.15 -1.41 0.04 0.00 -0.40 0.00 0.00 41.96 40.04 1sgo s TYR 76 CO 0.04 0.11 0.24 0.00 -1.57 0.00 0.00 175.55 174.37 1sgo s LEU 78 N 1.53 3.87 -0.54 0.00 1.43 -0.42 -1.23 118.68 123.33 1sgo s LEU 78 Ca 0.02 0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 53.09 1sgo s LEU 78 Cb -0.21 -1.97 0.12 0.00 0.03 0.00 0.00 46.19 44.17 1sgo s LEU 78 CO 0.06 0.22 0.51 -0.70 0.23 0.00 0.00 176.35 176.66 1sgo s GLU 79 N 0.12 3.00 -0.34 1.70 2.12 0.84 -0.19 118.70 125.94 1sgo s GLU 79 Ca 0.05 -1.61 -0.23 0.00 0.36 0.00 0.00 54.97 53.54 1sgo s GLU 79 Cb -0.12 -4.27 0.01 0.00 0.26 0.00 0.00 34.13 30.00 1sgo s GLU 79 CO 0.00 -1.31 0.79 -1.17 -0.54 0.00 0.00 175.26 173.03 1sgo s LEU 80 N 1.74 4.11 0.00 2.70 2.96 0.45 -1.08 118.68 129.56 1sgo s LEU 80 Ca 0.04 0.48 0.01 0.00 -0.22 0.00 0.00 54.13 54.45 1sgo s LEU 80 Cb -0.28 -3.05 -0.00 0.00 0.50 0.00 0.00 46.19 43.35 1sgo s LEU 80 CO 0.04 -0.69 0.05 0.35 -1.32 0.00 0.00 176.35 174.78 1sgo n THR 81 N 5.70 0.00 0.40 3.68 -2.24 0.18 -0.45 114.28 121.54 1sgo n THR 81 Ca 0.03 -2.40 0.13 0.00 -2.27 0.00 0.00 64.05 59.54 1sgo n THR 81 Cb 0.48 0.60 0.51 0.00 -2.10 0.00 0.00 70.33 69.82 1sgo n THR 81 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1sgo h GLU 82 N 0.00 0.00 0.00 -0.78 4.22 -1.92 -1.28 114.58 114.82 1sgo h GLU 82 Ca -0.39 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.02 1sgo h GLU 82 Cb 1.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1sgo h GLU 82 CO 0.64 0.00 -0.26 0.00 -2.18 0.00 0.00 179.01 177.21 1sgo h ALA 83 N 2.25 0.86 0.00 2.92 0.00 -1.95 -3.50 119.26 119.85 1sgo h ALA 83 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1sgo h ALA 83 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1sgo h ALA 83 CO 0.00 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.82 1sgo n GLY 84 N 1.14 0.88 3.62 0.00 0.00 -0.48 -4.45 105.19 105.90 1sgo n GLY 84 Ca 0.03 -1.97 -0.38 0.00 0.00 0.00 0.00 46.02 43.69 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 4.06 -0.03 0.99 1.02 0.84 -0.65 118.68 124.93 1sgo s LEU 85 Ca 0.00 0.25 0.04 0.00 0.02 0.00 0.00 54.13 54.43 1sgo s LEU 85 Cb 0.00 -2.34 -0.03 0.00 0.02 0.00 0.00 46.19 43.84 1sgo s LEU 85 CO 0.00 -0.11 -0.12 -0.75 0.02 0.00 0.00 176.35 175.39 1sgo s LYS 86 N 1.76 2.49 -0.42 1.70 2.20 -0.24 -1.47 119.74 125.77 1sgo s LYS 86 Ca 0.13 -0.72 -0.24 0.00 -0.36 0.00 0.00 55.97 54.78 1sgo s LYS 86 Cb -0.15 -2.41 0.02 0.00 -1.51 0.00 0.00 37.83 33.77 1sgo s LYS 86 CO 0.09 0.61 0.85 0.08 -0.36 0.00 0.00 175.35 176.63 1sgo s VAL 87 N -0.84 4.60 -1.49 4.02 1.01 -1.26 -0.11 120.40 126.33 1sgo s VAL 87 Ca 0.13 0.79 0.13 0.00 0.00 0.00 0.00 61.98 63.03 1sgo s VAL 87 Cb -0.11 -4.33 0.06 0.00 0.00 0.00 0.00 36.38 32.01 1sgo s VAL 87 CO 0.03 -0.65 0.85 1.33 0.00 0.00 0.00 175.10 176.67 1sgo n VAL 88 N 6.11 0.00 -3.61 2.92 0.24 -0.36 -4.50 118.33 119.12 1sgo n VAL 88 Ca 0.05 -0.45 -0.04 0.00 -2.04 0.00 0.00 64.34 61.86 1sgo n VAL 88 Cb 0.48 1.23 -0.03 0.00 -1.47 0.00 0.00 33.84 34.05 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 -1.33 -0.16 -0.28 7.63 0.00 -1.19 -0.15 107.32 111.84 1sgo s GLY 89 Ca 0.14 2.08 0.12 0.00 0.00 0.00 0.00 44.72 47.06 1sgo s GLY 89 CO 0.23 0.79 1.73 -1.72 0.00 0.00 0.00 173.10 174.13 1sgo n TYR 90 N 0.21 2.10 -3.88 1.90 4.02 -1.26 -0.78 117.16 119.46 1sgo n TYR 90 Ca -0.00 -1.08 -0.09 0.00 -0.01 0.00 0.00 57.90 56.71 1sgo n TYR 90 Cb 0.58 -0.59 -0.06 0.00 -0.02 0.00 0.00 39.34 39.25 1sgo n TYR 90 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sgo s ALA 91 N -2.94 -0.36 0.19 -0.72 0.00 -1.23 -4.56 121.76 112.13 1sgo s ALA 91 Ca 0.53 -0.65 -0.30 0.00 0.00 0.00 0.00 51.96 51.54 1sgo s ALA 91 Cb 0.42 0.87 -0.08 0.00 0.00 0.00 0.00 23.12 24.33 1sgo s ALA 91 CO 0.13 -0.72 1.29 -0.06 0.00 0.00 0.00 175.76 176.40 1sgo s PHE 92 N -3.94 3.29 -1.33 0.00 0.08 -1.26 -3.08 117.98 111.74 1sgo s PHE 92 Ca 0.15 1.24 0.00 0.00 0.12 0.00 0.00 56.93 58.43 1sgo s PHE 92 Cb 0.01 -3.58 0.00 0.00 -0.57 0.00 0.00 43.02 38.89 1sgo s PHE 92 CO -0.00 -1.79 0.00 -0.25 -0.10 0.00 0.00 175.22 173.08 1sgo n ASP 93 N 2.75 -4.55 -4.25 1.36 8.00 -1.26 -4.98 116.55 113.63 1sgo n ASP 93 Ca 0.06 0.07 -0.36 0.00 0.71 0.00 0.00 54.79 55.28 1sgo n ASP 93 Cb 0.43 -3.61 -0.13 0.00 -0.02 0.00 0.00 41.12 37.79 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 -4.39 2.79 -0.37 -1.24 0.74 -1.18 -5.05 119.66 110.97 1sgo s GLN 94 Ca 0.00 -1.04 0.02 0.00 0.05 0.00 0.00 55.36 54.39 1sgo s GLN 94 Cb 0.00 -3.24 0.10 0.00 1.10 0.00 0.00 33.01 30.98 1sgo s GLN 94 CO 0.00 -0.51 0.11 0.08 -0.55 0.00 0.00 175.29 174.42 1sgo s VAL 95 N 1.38 2.64 -0.20 1.34 1.01 -1.25 -3.15 120.40 122.17 1sgo s VAL 95 Ca -0.01 -2.26 -0.12 0.00 0.00 0.00 0.00 61.98 59.59 1sgo s VAL 95 Cb -0.18 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 1sgo s VAL 95 CO -0.00 -0.64 0.24 -0.62 0.00 0.00 0.00 175.10 174.08 1sgo s ASP 96 N 1.21 6.28 0.00 3.32 2.15 0.79 -4.97 116.67 125.45 1sgo s ASP 96 Ca 0.10 0.32 0.17 0.00 0.43 0.00 0.00 52.55 53.57 1sgo s ASP 96 Cb -0.20 -2.15 0.76 0.00 -0.30 0.00 0.00 42.92 41.02 1sgo s ASP 96 CO -0.07 0.07 1.52 -0.90 -0.17 0.00 0.00 175.17 175.62 1sgo n ASP 97 N 4.00 0.96 0.01 -0.34 5.68 -1.26 -3.14 116.55 122.45 1sgo n ASP 97 Ca -0.13 -1.67 0.01 0.00 -0.50 0.00 0.00 54.79 52.50 1sgo n ASP 97 Cb 0.52 -0.07 -0.10 0.00 -1.14 0.00 0.00 41.12 40.32 1sgo n ASP 97 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1sgo n HIS 98 N -0.12 0.68 -2.15 2.11 -0.00 -1.26 -4.86 115.22 109.62 1sgo n HIS 98 Ca 0.13 0.22 -0.42 0.00 -0.00 0.00 0.00 57.72 57.65 1sgo n HIS 98 Cb 0.20 -0.98 -0.03 0.00 -0.00 0.00 0.00 29.99 29.19 1sgo n HIS 98 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1sgo s LEU 99 N -5.52 4.33 -0.24 2.41 1.43 -1.19 -4.88 118.68 115.03 1sgo s LEU 99 Ca -0.05 2.22 0.12 0.00 -1.03 0.00 0.00 54.13 55.39 1sgo s LEU 99 Cb 0.09 -3.56 0.47 0.00 0.03 0.00 0.00 46.19 43.22 1sgo s LEU 99 CO 0.83 -0.75 1.38 0.00 0.23 0.00 0.00 176.35 178.03 1sgo n GLN 100 N 5.30 1.91 -1.67 1.70 1.13 -1.26 -5.02 117.38 119.47 1sgo n GLN 100 Ca 0.14 -3.08 -0.48 0.00 -1.94 0.00 0.00 57.00 51.63 1sgo n GLN 100 Cb 0.43 -1.75 -0.05 0.00 0.11 0.00 0.00 30.24 28.98 1sgo n GLN 100 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1sgo n THR 101 N -1.06 0.25 -1.81 5.09 -2.24 -1.26 -4.89 114.28 108.36 1sgo n THR 101 Ca 0.27 -0.04 -0.41 0.00 -2.27 0.00 0.00 64.05 61.59 1sgo n THR 101 Cb 0.90 -1.59 -0.02 0.00 -2.10 0.00 0.00 70.33 67.52 1sgo n THR 101 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1sgo s PRO 102 N 2.29 4.14 0.42 -0.78 0.04 -1.26 -4.38 135.00 135.48 1sgo s PRO 102 Ca 0.86 2.54 -0.03 0.00 0.04 0.00 0.00 61.00 64.40 1sgo s PRO 102 Cb -0.73 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 1sgo s PRO 102 CO 0.46 -0.61 0.69 1.52 0.04 0.00 0.00 177.00 179.10 1sgo s TYR 103 N 0.07 3.53 0.02 0.56 -0.85 -1.26 -4.62 117.35 114.79 1sgo s TYR 103 Ca 0.63 0.66 0.07 0.00 -0.52 0.00 0.00 57.07 57.91 1sgo s TYR 103 Cb -0.47 -2.16 -0.02 0.00 0.38 0.00 0.00 41.96 39.69 1sgo s TYR 103 CO 0.46 -0.11 -0.21 -1.01 -1.52 0.00 0.00 175.55 173.16 1sgo s HIS 104 N -2.55 1.90 0.05 -3.49 3.76 -0.54 -4.90 115.29 109.52 1sgo s HIS 104 Ca 0.45 -0.37 -0.26 0.00 -0.15 0.00 0.00 55.06 54.73 1sgo s HIS 104 Cb -0.10 -1.17 -0.17 0.00 1.11 0.00 0.00 32.58 32.25 1sgo s HIS 104 CO 0.41 0.04 1.54 1.49 -0.85 0.00 0.00 174.74 177.37 1sgo h GLU 105 N 5.19 -0.31 -6.24 1.40 4.81 -1.88 0.24 114.58 117.79 1sgo h GLU 105 Ca -0.42 0.02 -0.62 0.00 -0.13 0.00 0.00 59.36 58.21 1sgo h GLU 105 Cb 1.15 0.07 -0.09 0.00 0.63 0.00 0.00 28.75 30.50 1sgo h GLU 105 CO 0.46 -0.10 -0.61 0.95 -0.73 0.00 0.00 179.01 178.97 1sgo s THR 106 N -5.57 4.32 0.45 0.32 -4.23 -1.26 -4.31 115.64 105.35 1sgo s THR 106 Ca -0.15 -0.96 0.19 0.00 -1.18 0.00 0.00 61.69 59.59 1sgo s THR 106 Cb 0.04 -3.12 0.22 0.00 1.34 0.00 0.00 72.50 70.99 1sgo s THR 106 CO 0.62 0.04 2.03 1.62 -0.54 0.00 0.00 174.62 178.40 1sgo h VAL 107 N 2.50 0.93 0.36 2.29 3.04 -1.99 -2.52 116.25 120.86 1sgo h VAL 107 Ca -0.47 -0.57 -0.02 0.00 -1.01 0.00 0.00 66.70 64.63 1sgo h VAL 107 Cb 1.18 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 1sgo h VAL 107 CO 0.63 0.15 -0.17 1.88 -1.01 0.00 0.00 177.57 179.05 1sgo h TYR 108 N 0.00 -0.44 0.00 3.17 0.05 -1.98 0.15 116.97 117.92 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 0.31 0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.20 1sgo h TYR 108 CO 0.00 -0.17 0.00 0.43 -1.05 0.00 0.00 178.16 177.37 1sgo n SER 109 N -5.22 0.00 -0.09 3.88 7.64 -1.11 -2.01 113.62 116.71 1sgo n SER 109 Ca -0.10 -0.32 -0.09 0.00 1.01 0.00 0.00 58.87 59.37 1sgo n SER 109 Cb 0.25 -0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.29 1sgo n SER 109 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1sgo n LEU 110 N -1.13 1.90 0.25 -3.43 7.94 -0.97 -4.46 117.00 117.10 1sgo n LEU 110 Ca 0.12 0.42 0.15 0.00 -1.11 0.00 0.00 56.01 55.59 1sgo n LEU 110 Cb 0.11 -0.79 0.52 0.00 0.53 0.00 0.00 43.42 43.79 1sgo n LEU 110 CO 0.13 -0.26 0.93 0.25 -1.11 0.00 0.00 177.39 177.32 1sgo h LEU 111 N -1.00 0.00 0.00 -1.96 5.85 -0.66 -2.23 115.31 115.30 1sgo h LEU 111 Ca -0.05 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1sgo h LEU 111 Cb 0.91 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 1sgo h LEU 111 CO -0.03 0.00 -0.29 -0.78 -0.34 0.00 0.00 178.44 177.00 1sgo h ASP 112 N 0.00 0.00 0.92 1.25 3.58 -1.60 -1.17 116.42 119.40 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 0.64 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.69 1sgo h ASP 112 CO 0.00 0.03 -0.68 0.74 -2.88 0.00 0.00 179.24 176.45 1sgo h THR 113 N 0.00 0.00 0.00 2.25 2.02 -1.63 -3.40 112.91 112.15 1sgo h THR 113 Ca -0.00 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 1sgo h THR 113 Cb 1.03 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1sgo h THR 113 CO 0.00 0.00 -0.99 0.18 0.37 0.00 0.00 175.52 175.08 1sgo n LEU 114 N -2.25 1.92 -4.63 2.58 4.77 -0.98 -4.97 117.00 113.43 1sgo n LEU 114 Ca 0.03 0.32 -0.35 0.00 -0.03 0.00 0.00 56.01 55.98 1sgo n LEU 114 Cb 0.46 -0.73 -0.10 0.00 -2.33 0.00 0.00 43.42 40.73 1sgo n LEU 114 CO 0.37 -0.27 -0.22 -0.44 -1.33 0.00 0.00 177.39 175.50 1sgo s SER 115 N -5.93 5.80 0.34 -1.43 0.01 -0.48 -4.97 113.70 107.04 1sgo s SER 115 Ca -0.28 0.07 0.07 0.00 1.31 0.00 0.00 55.95 57.12 1sgo s SER 115 Cb 0.04 -2.02 0.61 0.00 0.21 0.00 0.00 66.02 64.85 1sgo s SER 115 CO 0.42 0.11 1.82 1.55 0.41 0.00 0.00 173.24 177.55 1sgo h PRO 116 N 7.16 0.31 0.00 12.44 0.13 -1.86 -2.77 132.00 147.41 1sgo h PRO 116 Ca -0.38 -0.10 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1sgo h PRO 116 Cb 1.17 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1sgo h PRO 116 CO 0.68 0.52 -0.03 0.00 -0.23 0.00 0.00 178.00 178.94 1sgo h ALA 117 N 1.50 1.01 0.68 -0.56 0.00 -1.93 -2.79 119.26 117.17 1sgo h ALA 117 Ca 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1sgo h ALA 117 Cb 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1sgo h ALA 117 CO 0.04 0.03 -0.37 -0.92 0.00 0.00 0.00 179.25 178.03 1sgo h TYR 118 N 0.00 -0.97 0.00 0.00 3.20 -1.67 -1.54 116.97 116.00 1sgo h TYR 118 Ca -0.00 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1sgo h TYR 118 Cb 0.50 0.33 -0.00 0.00 1.54 0.00 0.00 36.73 39.10 1sgo h TYR 118 CO 0.00 -0.57 -0.05 0.07 -1.64 0.00 0.00 178.16 175.97 1sgo h ARG 119 N -0.96 0.00 0.11 1.82 -0.00 -1.67 0.42 114.38 114.10 1sgo h ARG 119 Ca -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.88 1sgo h ARG 119 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.72 1sgo h ARG 119 CO 0.13 0.05 -0.05 1.49 -0.00 0.00 0.00 179.97 181.59 1sgo h GLU 120 N 0.00 -0.14 0.01 0.08 4.57 -1.31 -1.74 114.58 116.05 1sgo h GLU 120 Ca -0.00 0.01 -0.21 0.00 -1.18 0.00 0.00 59.36 57.98 1sgo h GLU 120 Cb 0.41 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 1sgo h GLU 120 CO 0.01 0.07 -0.97 0.00 -1.18 0.00 0.00 179.01 176.94 1sgo h ALA 121 N 0.52 0.41 -0.76 2.92 0.00 -0.68 -3.24 119.26 118.43 1sgo h ALA 121 Ca -0.02 -0.85 -0.01 0.00 0.00 0.00 0.00 54.91 54.04 1sgo h ALA 121 Cb 0.28 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1sgo h ALA 121 CO 0.03 1.13 0.45 0.35 0.00 0.00 0.00 179.25 181.21 1sgo h PHE 122 N 0.02 1.01 -0.25 0.00 3.57 -0.16 -1.58 116.94 119.54 1sgo h PHE 122 Ca -0.03 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 1sgo h PHE 122 Cb 1.69 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 40.08 1sgo h PHE 122 CO 0.01 0.67 0.02 0.78 -2.23 0.00 0.00 178.31 177.57 1sgo h GLY 123 N 1.08 0.39 1.10 2.40 0.00 -1.34 -1.86 103.07 104.84 1sgo h GLY 123 Ca 0.27 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 47.32 1sgo h GLY 123 CO -0.05 0.19 0.05 -0.57 0.00 0.00 0.00 176.54 176.16 1sgo h ASN 124 N 0.36 1.05 0.09 0.19 -0.73 -1.38 -1.73 115.58 113.44 1sgo h ASN 124 Ca 0.08 -0.28 -0.10 0.00 1.87 0.00 0.00 56.30 57.88 1sgo h ASN 124 Cb 0.21 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.50 1sgo h ASN 124 CO 0.00 1.07 -0.33 0.00 -0.37 0.00 0.00 177.43 177.80 1sgo h ALA 125 N 1.04 1.12 -0.31 1.57 0.00 -1.17 -2.25 119.26 119.26 1sgo h ALA 125 Ca 0.19 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1sgo h ALA 125 Cb 0.51 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1sgo h ALA 125 CO 0.02 0.56 -0.17 -0.07 0.00 0.00 0.00 179.25 179.60 1sgo h LEU 126 N 0.30 0.69 -0.97 0.00 4.07 -0.93 0.23 115.31 118.70 1sgo h LEU 126 Ca 0.04 -0.41 -0.10 0.00 0.08 0.00 0.00 57.88 57.49 1sgo h LEU 126 Cb 0.74 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.27 1sgo h LEU 126 CO 0.06 0.95 -0.30 0.17 -1.08 0.00 0.00 178.44 178.24 1sgo h LEU 127 N 0.43 0.39 -0.37 1.67 8.10 -1.25 -0.52 115.31 123.75 1sgo h LEU 127 Ca 0.07 -0.14 -0.15 0.00 0.11 0.00 0.00 57.88 57.77 1sgo h LEU 127 Cb 0.70 -0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 40.81 1sgo h LEU 127 CO 0.05 0.67 -0.35 -0.61 -4.11 0.00 0.00 178.44 174.09 1sgo h GLN 128 N 0.33 0.90 -0.93 0.17 4.15 -1.25 0.14 115.11 118.62 1sgo h GLN 128 Ca 0.05 -0.47 0.05 0.00 0.77 0.00 0.00 58.65 59.05 1sgo h GLN 128 Cb 0.70 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.34 1sgo h GLN 128 CO 0.05 1.12 0.60 -0.09 -1.93 0.00 0.00 178.83 178.58 1sgo h ARG 129 N 0.71 1.10 -0.00 1.69 9.65 -0.10 0.36 114.38 127.78 1sgo h ARG 129 Ca 0.06 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1sgo h ARG 129 Cb 0.94 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 29.28 1sgo h ARG 129 CO 0.09 0.73 -0.02 1.25 2.80 0.00 0.00 179.97 184.82 1sgo h LEU 130 N 1.13 0.02 -1.43 3.80 6.46 -0.92 -3.26 115.31 121.10 1sgo h LEU 130 Ca 0.38 -0.71 -0.02 0.00 -0.12 0.00 0.00 57.88 57.41 1sgo h LEU 130 Cb 0.07 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 1sgo h LEU 130 CO -0.14 0.72 0.12 -0.08 -0.62 0.00 0.00 178.44 178.44 1sgo h GLU 131 N -0.68 0.50 -0.94 1.25 4.81 -0.54 0.73 114.58 119.70 1sgo h GLU 131 Ca -0.00 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1sgo h GLU 131 Cb 0.72 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.96 1sgo h GLU 131 CO 0.00 0.43 0.62 0.00 -0.73 0.00 0.00 179.01 179.33 1sgo h ALA 132 N 1.64 1.24 0.11 2.92 0.00 -1.01 -0.82 119.26 123.33 1sgo h ALA 132 Ca 0.12 -0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.72 1sgo h ALA 132 Cb 0.14 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1sgo h ALA 132 CO -0.01 0.51 -1.23 -0.07 0.00 0.00 0.00 179.25 178.45 1sgo h LEU 133 N 1.21 0.35 -0.83 0.00 4.07 -1.33 0.25 115.31 119.03 1sgo h LEU 133 Ca 0.37 -0.38 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 1sgo h LEU 133 Cb -0.02 -0.11 -0.04 0.00 1.08 0.00 0.00 40.66 41.56 1sgo h LEU 133 CO -0.11 1.30 0.51 0.50 -1.08 0.00 0.00 178.44 179.56 1sgo h LYS 134 N 0.06 1.11 0.00 1.13 3.64 -0.51 -3.24 116.57 118.77 1sgo h LYS 134 Ca -0.12 -0.09 -0.21 0.00 -1.27 0.00 0.00 60.65 58.96 1sgo h LYS 134 Cb 1.94 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 33.50 1sgo h LYS 134 CO 0.19 0.77 -1.12 -0.09 -2.27 0.00 0.00 179.45 176.93 1sgo h ARG 135 N 1.13 0.01 0.00 1.90 2.43 -1.23 -3.48 114.38 115.14 1sgo h ARG 135 Ca 0.30 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1sgo h ARG 135 Cb -0.07 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1sgo h ARG 135 CO -0.06 1.01 0.00 -3.47 -1.51 0.00 0.00 179.97 175.94 1sgo n ASP 136 N -4.43 0.00 0.00 -3.80 -0.08 0.89 -4.36 116.55 104.77 1sgo n ASP 136 Ca -0.29 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.99 1sgo n ASP 136 Cb 0.67 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.13 1sgo n ASP 136 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1sgo n GLY 137 N 0.00 0.20 2.54 0.27 0.00 -1.26 -4.98 105.19 101.95 1sgo n GLY 137 Ca 0.00 0.33 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 1sgo n GLY 137 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sgo s GLN 138 N 0.97 0.48 0.00 1.61 0.74 -1.26 -5.21 119.66 116.99 1sgo s GLN 138 Ca 0.00 -1.05 0.27 0.00 0.05 0.00 0.00 55.36 54.63 1sgo s GLN 138 Cb 0.00 -1.39 0.85 0.00 1.10 0.00 0.00 33.01 33.58 1sgo s GLN 138 CO 0.00 -1.11 1.63 -1.13 -0.55 0.00 0.00 175.29 174.13