#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 1.18 -3.59 0.03 4.71 -1.26 -2.84 120.64 118.87 1sgo n GLU 2 Ca 0.00 0.14 -0.27 0.00 -0.01 0.00 0.00 57.16 57.02 1sgo n GLU 2 Cb 0.00 -3.17 0.01 0.00 -1.01 0.00 0.00 31.44 27.28 1sgo n GLU 2 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1sgo n THR 3 N 7.84 -4.42 -1.62 2.62 -2.24 -1.26 -4.79 114.28 110.42 1sgo n THR 3 Ca 0.38 0.05 -0.35 0.00 -2.27 0.00 0.00 64.05 61.86 1sgo n THR 3 Cb 0.46 -3.66 -0.04 0.00 -2.10 0.00 0.00 70.33 64.99 1sgo n THR 3 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1sgo n ASP 4 N -1.57 7.78 -3.96 3.42 -0.08 -1.13 -4.83 116.55 116.18 1sgo n ASP 4 Ca -0.19 -2.91 -0.16 0.00 -1.51 0.00 0.00 54.79 50.02 1sgo n ASP 4 Cb 0.67 -1.41 -0.14 0.00 2.34 0.00 0.00 41.12 42.58 1sgo n ASP 4 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sgo s ASN 6 N -0.19 4.55 0.03 0.00 0.02 -1.26 -5.07 114.94 113.03 1sgo s ASN 6 Ca 0.02 -0.15 -0.35 0.00 -1.02 0.00 0.00 52.86 51.36 1sgo s ASN 6 Cb -0.02 -1.05 -0.14 0.00 0.02 0.00 0.00 41.25 40.06 1sgo s ASN 6 CO -0.00 0.29 1.64 -2.65 0.02 0.00 0.00 177.10 176.40 1sgo n PRO 7 N 1.66 1.88 -3.88 -0.60 -0.02 -1.26 -4.96 135.00 127.82 1sgo n PRO 7 Ca -0.16 0.68 -0.33 0.00 -2.02 0.00 0.00 63.50 61.67 1sgo n PRO 7 Cb 0.53 -2.44 -0.13 0.00 -0.02 0.00 0.00 33.50 31.43 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 2.02 1.93 2.32 -0.52 1.75 -1.26 -5.05 119.30 120.49 1sgo s MET 8 Ca 0.86 -2.12 0.00 0.00 -1.25 0.00 0.00 55.69 53.18 1sgo s MET 8 Cb -0.77 -3.44 0.00 0.00 2.84 0.00 0.00 34.83 33.46 1sgo s MET 8 CO 0.46 -1.06 0.00 0.39 -0.65 0.00 0.00 175.02 174.17 1sgo n GLU 9 N 4.00 0.00 -3.18 4.11 1.02 -1.26 -4.97 120.64 120.36 1sgo n GLU 9 Ca 0.03 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.03 1sgo n GLU 9 Cb 0.39 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.82 1sgo n GLU 9 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1sgo n LEU 10 N 0.00 -5.66 -3.77 -4.62 0.00 -1.26 -4.99 117.00 96.71 1sgo n LEU 10 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 56.01 55.71 1sgo n LEU 10 Cb 0.00 -2.77 -0.13 0.00 0.00 0.00 0.00 43.42 40.52 1sgo n LEU 10 CO 0.00 -1.13 -0.24 -0.55 0.00 0.00 0.00 177.39 175.46 1sgo s SER 11 N -2.57 3.83 0.40 1.96 0.15 -1.26 -5.11 113.70 111.10 1sgo s SER 11 Ca 0.16 -2.62 -0.25 0.00 0.70 0.00 0.00 55.95 53.95 1sgo s SER 11 Cb -0.03 -1.15 -0.09 0.00 -1.71 0.00 0.00 66.02 63.04 1sgo s SER 11 CO 0.80 -0.27 1.10 -0.55 1.20 0.00 0.00 173.24 175.52 1sgo s SER 12 N 0.33 6.64 -1.25 5.45 0.15 -1.26 -4.92 113.70 118.84 1sgo s SER 12 Ca 0.17 2.17 -0.20 0.00 0.70 0.00 0.00 55.95 58.80 1sgo s SER 12 Cb -0.24 -2.60 0.03 0.00 -1.71 0.00 0.00 66.02 61.50 1sgo s SER 12 CO -0.01 -0.58 1.78 -0.32 1.20 0.00 0.00 173.24 175.31 1sgo s MET 13 N -2.40 3.57 -0.94 5.44 1.75 -1.26 -4.89 119.30 120.57 1sgo s MET 13 Ca 0.57 -1.72 -0.24 0.00 -1.25 0.00 0.00 55.69 53.05 1sgo s MET 13 Cb -0.26 -5.45 0.01 0.00 2.84 0.00 0.00 34.83 31.97 1sgo s MET 13 CO 0.32 -2.71 1.63 -1.12 -0.65 0.00 0.00 175.02 172.50 1sgo s SER 14 N 4.89 5.94 0.00 1.11 0.01 -1.26 -4.88 113.70 119.50 1sgo s SER 14 Ca 0.57 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.81 1sgo s SER 14 Cb 0.02 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1sgo s SER 14 CO 0.08 -2.01 0.00 0.61 0.41 0.00 0.00 173.24 172.33 1sgo n GLY 15 N 6.72 1.44 2.81 3.44 0.00 -1.26 -5.06 105.19 113.28 1sgo n GLY 15 Ca 0.33 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.18 1sgo n GLY 15 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sgo s PHE 16 N 0.41 0.30 -1.55 1.61 0.08 -1.26 -4.86 117.98 112.70 1sgo s PHE 16 Ca 0.00 0.01 -0.02 0.00 0.12 0.00 0.00 56.93 57.04 1sgo s PHE 16 Cb 0.00 -0.41 0.00 0.00 -0.57 0.00 0.00 43.02 42.04 1sgo s PHE 16 CO 0.00 -0.13 0.21 0.39 -0.10 0.00 0.00 175.22 175.59 1sgo n GLU 17 N 4.19 -2.65 0.00 0.44 4.71 -1.26 -4.93 120.64 121.14 1sgo n GLU 17 Ca -0.26 0.89 0.00 0.00 -0.01 0.00 0.00 57.16 57.79 1sgo n GLU 17 Cb 0.50 -5.50 0.00 0.00 -1.01 0.00 0.00 31.44 25.43 1sgo n GLU 17 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1sgo n GLU 18 N -3.18 0.00 0.00 3.49 -0.00 -1.26 -4.95 120.64 114.74 1sgo n GLU 18 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1sgo n GLU 18 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.09 1sgo n GLU 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sgo n GLY 19 N 3.09 1.36 0.00 -1.84 0.00 -1.26 -4.71 105.19 101.83 1sgo n GLY 19 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1sgo n GLY 19 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sgo n SER 20 N 2.83 2.36 0.00 1.61 2.88 -1.26 -4.98 113.62 117.06 1sgo n SER 20 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1sgo n SER 20 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1sgo n SER 20 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1sgo n GLU 21 N 0.00 -0.43 -2.06 -1.46 1.02 -1.26 -4.91 120.64 111.53 1sgo n GLU 21 Ca 0.00 0.11 -0.41 0.00 -0.02 0.00 0.00 57.16 56.83 1sgo n GLU 21 Cb 0.00 -3.48 -0.00 0.00 -0.02 0.00 0.00 31.44 27.94 1sgo n GLU 21 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1sgo n LEU 22 N 0.00 7.29 -4.58 -4.62 4.77 -1.26 -4.94 117.00 113.67 1sgo n LEU 22 Ca 0.00 -4.62 -0.42 0.00 -0.03 0.00 0.00 56.01 50.94 1sgo n LEU 22 Cb 0.11 -1.48 -0.03 0.00 -2.33 0.00 0.00 43.42 39.70 1sgo n LEU 22 CO 0.00 1.61 1.20 0.21 -1.33 0.00 0.00 177.39 179.08 1sgo s ASN 23 N 1.14 6.23 0.00 -1.43 3.84 -1.26 -4.87 114.94 118.59 1sgo s ASN 23 Ca 0.48 0.21 0.00 0.00 0.21 0.00 0.00 52.86 53.75 1sgo s ASN 23 Cb 0.14 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.29 1sgo s ASN 23 CO -0.04 -1.64 0.00 0.61 -2.79 0.00 0.00 177.10 173.24 1sgo n GLY 24 N 5.20 0.06 1.60 1.21 0.00 -1.26 -4.96 105.19 107.03 1sgo n GLY 24 Ca 0.11 -1.19 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 1sgo n GLY 24 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sgo n PHE 25 N -0.83 1.55 -0.85 1.61 3.01 -1.26 -4.82 117.46 115.87 1sgo n PHE 25 Ca 0.00 -1.12 0.00 0.00 1.01 0.00 0.00 57.45 57.34 1sgo n PHE 25 Cb 0.00 -0.58 0.00 0.00 -0.01 0.00 0.00 39.48 38.89 1sgo n PHE 25 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1sgo n GLU 26 N -0.29 -0.18 0.20 -1.08 1.02 -1.26 -4.82 120.64 114.23 1sgo n GLU 26 Ca 0.29 0.05 0.09 0.00 -0.02 0.00 0.00 57.16 57.57 1sgo n GLU 26 Cb 1.08 -3.39 0.25 0.00 -0.02 0.00 0.00 31.44 29.36 1sgo n GLU 26 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1sgo h GLY 27 N 0.00 0.00 -7.09 0.62 0.00 -1.99 -3.39 103.07 91.21 1sgo h GLY 27 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1sgo h GLY 27 CO 0.00 0.00 -0.76 -1.59 0.00 0.00 0.00 176.54 174.19 1sgo s THR 28 N -3.29 0.93 -0.04 4.70 2.01 -1.26 -4.98 115.64 113.71 1sgo s THR 28 Ca 0.04 -1.61 -0.17 0.00 0.31 0.00 0.00 61.69 60.26 1sgo s THR 28 Cb 0.08 -1.69 -0.10 0.00 0.01 0.00 0.00 72.50 70.79 1sgo s THR 28 CO 0.68 -0.73 0.70 -0.78 -0.69 0.00 0.00 174.62 173.79 1sgo h ASP 29 N 7.80 -0.39 -5.57 3.53 3.58 -2.00 -3.47 116.42 119.89 1sgo h ASP 29 Ca -0.10 -0.07 0.25 0.00 0.42 0.00 0.00 57.03 57.52 1sgo h ASP 29 Cb 1.00 0.10 -0.09 0.00 1.72 0.00 0.00 39.33 42.06 1sgo h ASP 29 CO 0.46 0.07 0.68 0.00 -2.88 0.00 0.00 179.24 177.57 1sgo s MET 30 N -3.37 0.80 -0.25 0.28 0.23 -1.26 -5.04 119.30 110.69 1sgo s MET 30 Ca -0.09 -0.46 0.03 0.00 -1.03 0.00 0.00 55.69 54.13 1sgo s MET 30 Cb 0.01 0.26 0.06 0.00 -1.53 0.00 0.00 34.83 33.63 1sgo s MET 30 CO 0.30 -0.37 -0.11 -1.59 -2.03 0.00 0.00 175.02 171.22 1sgo s LYS 31 N -2.67 2.22 0.10 3.16 -2.85 -1.26 -5.09 119.74 113.35 1sgo s LYS 31 Ca 0.16 -1.27 -0.29 0.00 -1.00 0.00 0.00 55.97 53.56 1sgo s LYS 31 Cb 0.01 -2.83 -0.06 0.00 -2.06 0.00 0.00 37.83 32.89 1sgo s LYS 31 CO -0.00 -0.55 0.93 -0.51 0.10 0.00 0.00 175.35 175.32 1sgo s ASP 32 N 1.15 7.45 0.41 0.03 1.11 -1.26 -4.77 116.67 120.78 1sgo s ASP 32 Ca -0.08 1.74 0.28 0.00 0.18 0.00 0.00 52.55 54.68 1sgo s ASP 32 Cb -0.19 -2.57 1.45 0.00 1.07 0.00 0.00 42.92 42.67 1sgo s ASP 32 CO -0.06 -0.06 1.87 -0.03 1.18 0.00 0.00 175.17 178.07 1sgo h MET 33 N 5.63 0.00 -0.39 8.23 4.05 -0.86 0.30 114.93 131.89 1sgo h MET 33 Ca -0.43 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.98 1sgo h MET 33 Cb 1.21 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.99 1sgo h MET 33 CO 0.72 0.00 0.20 0.00 0.23 0.00 0.00 176.91 178.05 1sgo h ARG 34 N 0.00 0.53 0.05 0.39 3.08 -1.86 0.13 114.38 116.71 1sgo h ARG 34 Ca 0.00 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 1sgo h ARG 34 Cb 0.12 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.07 1sgo h ARG 34 CO 0.00 0.41 -0.42 -0.07 -1.07 0.00 0.00 179.97 178.82 1sgo h LEU 35 N 0.54 0.28 -2.06 3.04 3.38 -1.31 0.53 115.31 119.72 1sgo h LEU 35 Ca 0.14 -0.90 -0.02 0.00 0.09 0.00 0.00 57.88 57.19 1sgo h LEU 35 Cb 0.04 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1sgo h LEU 35 CO -0.02 1.15 -0.09 -0.33 0.09 0.00 0.00 178.44 179.25 1sgo h GLU 36 N -0.55 0.00 -0.01 1.13 5.08 -1.50 0.82 114.58 119.55 1sgo h GLU 36 Ca -0.07 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1sgo h GLU 36 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1sgo h GLU 36 CO 0.08 0.09 -0.20 0.00 -1.00 0.00 0.00 179.01 177.98 1sgo h ALA 37 N 1.91 0.04 -0.88 3.43 0.00 -0.61 -2.58 119.26 120.58 1sgo h ALA 37 Ca -0.00 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.50 1sgo h ALA 37 Cb 0.21 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1sgo h ALA 37 CO 0.01 0.05 0.58 1.49 0.00 0.00 0.00 179.25 181.37 1sgo h GLU 38 N -0.49 1.09 -0.51 0.00 4.81 -0.39 0.32 114.58 119.42 1sgo h GLU 38 Ca -0.02 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1sgo h GLU 38 Cb 0.92 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 1sgo h GLU 38 CO 0.04 0.72 0.33 0.00 -0.73 0.00 0.00 179.01 179.37 1sgo h ALA 39 N 1.48 0.65 0.08 2.92 0.00 -0.86 -1.01 119.26 122.51 1sgo h ALA 39 Ca 0.34 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1sgo h ALA 39 Cb -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1sgo h ALA 39 CO -0.09 0.06 -0.04 0.28 0.00 0.00 0.00 179.25 179.46 1sgo h VAL 40 N 0.66 1.08 -0.73 0.00 2.07 -0.95 -2.71 116.25 115.67 1sgo h VAL 40 Ca 0.19 -0.55 0.08 0.00 0.82 0.00 0.00 66.70 67.24 1sgo h VAL 40 Cb -0.04 1.43 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 1sgo h VAL 40 CO -0.06 0.14 0.40 0.58 0.02 0.00 0.00 177.57 178.64 1sgo h VAL 41 N -0.35 0.91 -0.00 2.57 2.07 -0.76 -0.37 116.25 120.32 1sgo h VAL 41 Ca -0.01 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1sgo h VAL 41 Cb 0.30 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1sgo h VAL 41 CO 0.02 0.13 -0.03 0.59 0.02 0.00 0.00 177.57 178.29 1sgo n ASN 42 N -4.80 0.20 -0.12 0.57 3.02 -0.40 -2.57 115.26 111.17 1sgo n ASN 42 Ca 0.11 -0.53 -0.23 0.00 -0.03 0.00 0.00 54.58 53.89 1sgo n ASN 42 Cb 0.23 -0.14 -0.08 0.00 -0.61 0.00 0.00 39.78 39.19 1sgo n ASN 42 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1sgo n ASP 43 N -1.06 1.86 -0.93 6.41 2.03 -0.30 -4.58 116.55 119.99 1sgo n ASP 43 Ca 0.17 0.32 0.09 0.00 0.52 0.00 0.00 54.79 55.89 1sgo n ASP 43 Cb 0.22 -0.76 0.25 0.00 -0.72 0.00 0.00 41.12 40.11 1sgo n ASP 43 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1sgo n VAL 44 N -4.24 0.61 0.11 5.18 0.24 -0.34 -4.19 118.33 115.71 1sgo n VAL 44 Ca -0.42 -0.66 0.13 0.00 -2.04 0.00 0.00 64.34 61.35 1sgo n VAL 44 Cb 0.78 0.41 0.63 0.00 -1.47 0.00 0.00 33.84 34.19 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 3.07 0.07 0.00 1.34 5.85 -1.69 -1.36 115.31 122.59 1sgo h LEU 45 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1sgo h LEU 45 Cb 0.70 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1sgo h LEU 45 CO 0.00 0.04 0.00 0.33 -0.34 0.00 0.00 178.44 178.47 1sgo n PHE 46 N -4.47 0.00 0.54 1.25 7.35 -1.26 -2.54 117.46 118.33 1sgo n PHE 46 Ca 0.03 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.83 1sgo n PHE 46 Cb 0.31 -0.48 -0.02 0.00 0.35 0.00 0.00 39.48 39.64 1sgo n PHE 46 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1sgo n ALA 47 N -1.48 3.48 -3.77 3.13 0.00 -0.51 -4.91 120.51 116.45 1sgo n ALA 47 Ca 0.05 -0.44 -0.04 0.00 0.00 0.00 0.00 53.44 53.00 1sgo n ALA 47 Cb 0.20 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.96 0.00 -0.06 0.00 0.24 -1.05 -4.54 118.33 110.96 1sgo n VAL 48 Ca 0.01 -0.34 -0.04 0.00 -2.04 0.00 0.00 64.34 61.93 1sgo n VAL 48 Cb 0.44 0.11 -0.03 0.00 -1.47 0.00 0.00 33.84 32.89 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 0.22 0.00 -4.63 -1.34 2.35 -1.44 -3.46 115.58 107.26 1sgo h ASN 49 Ca -0.05 -0.16 -0.17 0.00 -0.55 0.00 0.00 56.30 55.38 1sgo h ASN 49 Cb 0.18 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 38.32 1sgo h ASN 49 CO 0.08 0.66 -0.57 0.21 -1.65 0.00 0.00 177.43 176.17 1sgo s ASN 50 N -5.73 0.03 -0.16 5.81 2.47 -1.20 -5.04 114.94 111.12 1sgo s ASN 50 Ca -0.07 -0.15 -0.12 0.00 0.42 0.00 0.00 52.86 52.94 1sgo s ASN 50 Cb 0.00 0.19 0.05 0.00 -1.45 0.00 0.00 41.25 40.04 1sgo s ASN 50 CO 0.16 -0.26 0.42 -0.32 -3.72 0.00 0.00 177.10 173.38 1sgo s MET 51 N -0.99 0.45 -0.17 0.43 -2.45 -1.26 -0.32 119.30 114.99 1sgo s MET 51 Ca -0.11 0.68 -0.12 0.00 -1.25 0.00 0.00 55.69 54.89 1sgo s MET 51 Cb -0.06 0.13 0.05 0.00 1.25 0.00 0.00 34.83 36.19 1sgo s MET 51 CO 0.01 -0.10 0.42 0.12 1.05 0.00 0.00 175.02 176.51 1sgo s PHE 52 N 0.74 -0.54 -0.04 4.11 5.36 -0.12 -5.00 117.98 122.49 1sgo s PHE 52 Ca -0.04 1.23 -0.30 0.00 -0.96 0.00 0.00 56.93 56.85 1sgo s PHE 52 Cb -0.05 0.22 -0.03 0.00 -0.34 0.00 0.00 43.02 42.81 1sgo s PHE 52 CO -0.05 -0.29 1.17 0.54 -1.46 0.00 0.00 175.22 175.13 1sgo s VAL 53 N 0.82 4.31 -0.08 3.12 0.11 -1.26 -0.88 120.40 126.53 1sgo s VAL 53 Ca -0.05 1.63 -0.30 0.00 -2.93 0.00 0.00 61.98 60.34 1sgo s VAL 53 Cb -0.06 -4.05 -0.03 0.00 -1.53 0.00 0.00 36.38 30.71 1sgo s VAL 53 CO -0.06 0.02 1.26 -0.44 -3.33 0.00 0.00 175.10 172.55 1sgo s SER 54 N 1.36 6.98 -0.09 3.54 0.01 -0.31 -4.89 113.70 120.30 1sgo s SER 54 Ca 0.55 1.83 0.19 0.00 1.31 0.00 0.00 55.95 59.83 1sgo s SER 54 Cb -0.25 -2.55 0.70 0.00 0.21 0.00 0.00 66.02 64.13 1sgo s SER 54 CO 0.23 -0.67 1.60 2.29 0.41 0.00 0.00 173.24 177.10 1sgo n LYS 55 N 5.75 3.46 -0.43 12.44 2.85 -1.26 -4.25 118.16 136.71 1sgo n LYS 55 Ca 0.12 -2.77 0.06 0.00 -1.05 0.00 0.00 58.31 54.68 1sgo n LYS 55 Cb 0.45 -1.82 0.21 0.00 -0.65 0.00 0.00 35.03 33.23 1sgo n LYS 55 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1sgo n SER 56 N 1.24 3.09 0.00 -5.58 3.41 -1.26 -4.99 113.62 109.53 1sgo n SER 56 Ca 0.25 -3.24 0.00 0.00 -0.26 0.00 0.00 58.87 55.62 1sgo n SER 56 Cb 0.82 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1sgo n SER 56 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1sgo n LEU 57 N -0.91 0.00 -0.70 1.04 7.99 -1.26 -5.02 117.00 118.14 1sgo n LEU 57 Ca 0.22 0.00 0.07 0.00 -0.01 0.00 0.00 56.01 56.29 1sgo n LEU 57 Cb 0.85 0.00 0.19 0.00 -0.11 0.00 0.00 43.42 44.35 1sgo n LEU 57 CO 0.11 0.00 0.65 -2.11 -1.51 0.00 0.00 177.39 174.54 1sgo n ARG 58 N 0.00 2.88 -1.65 3.23 1.85 -1.26 -5.02 116.66 116.69 1sgo n ARG 58 Ca 0.00 -2.32 -0.46 0.00 -1.00 0.00 0.00 57.85 54.06 1sgo n ARG 58 Cb 0.00 -1.47 -0.04 0.00 -1.05 0.00 0.00 32.46 29.90 1sgo n ARG 58 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1sgo n ALA 60 N 2.64 1.14 -0.00 0.00 0.00 -0.94 -4.96 120.51 118.38 1sgo n ALA 60 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.59 1sgo n ALA 60 Cb 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.73 1sgo n ALA 60 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1sgo n ASP 61 N -2.41 0.16 -0.11 0.00 5.68 -1.26 -2.52 116.55 116.08 1sgo n ASP 61 Ca 0.00 0.02 0.02 0.00 -0.50 0.00 0.00 54.79 54.33 1sgo n ASP 61 Cb 0.00 -0.28 0.01 0.00 -1.14 0.00 0.00 41.12 39.71 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 -2.65 1.01 -4.18 -1.12 2.03 -1.26 -1.21 116.55 109.16 1sgo n ASP 62 Ca -0.01 -1.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.00 1sgo n ASP 62 Cb 0.03 0.27 -0.17 0.00 -0.72 0.00 0.00 41.12 40.53 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 -0.59 1.81 -0.08 5.18 0.11 -1.26 -3.89 120.40 121.68 1sgo s VAL 63 Ca 0.04 -0.89 -0.04 0.00 -2.93 0.00 0.00 61.98 58.16 1sgo s VAL 63 Cb 0.03 -1.57 0.04 0.00 -1.53 0.00 0.00 36.38 33.35 1sgo s VAL 63 CO 0.07 0.51 0.18 0.00 -3.33 0.00 0.00 175.10 172.53 1sgo s ALA 64 N 0.27 -0.35 -0.24 1.54 0.00 -0.40 -2.22 121.76 120.35 1sgo s ALA 64 Ca -0.13 0.78 -0.17 0.00 0.00 0.00 0.00 51.96 52.43 1sgo s ALA 64 Cb -0.16 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 1sgo s ALA 64 CO 0.06 -0.18 0.46 0.71 0.00 0.00 0.00 175.76 176.82 1sgo s TYR 65 N 1.23 3.30 -0.12 0.00 1.51 -1.26 -0.38 117.35 121.63 1sgo s TYR 65 Ca -0.09 0.60 0.00 0.00 -1.01 0.00 0.00 57.07 56.58 1sgo s TYR 65 Cb -0.11 -2.64 -0.02 0.00 -0.11 0.00 0.00 41.96 39.08 1sgo s TYR 65 CO -0.07 -0.19 -0.12 0.42 -1.11 0.00 0.00 175.55 174.48 1sgo s ILE 66 N 1.97 3.15 -0.36 2.71 1.01 -0.01 -1.17 121.20 128.50 1sgo s ILE 66 Ca 0.20 -0.64 -0.13 0.00 0.00 0.00 0.00 60.65 60.08 1sgo s ILE 66 Cb -0.15 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.00 1sgo s ILE 66 CO 0.09 0.53 0.24 0.20 0.00 0.00 0.00 174.94 176.01 1sgo s ASN 67 N 0.16 5.96 -0.01 3.58 0.02 -0.06 -0.31 114.94 124.28 1sgo s ASN 67 Ca -0.06 -0.65 0.08 0.00 -1.02 0.00 0.00 52.86 51.20 1sgo s ASN 67 Cb -0.15 -2.11 -0.02 0.00 0.02 0.00 0.00 41.25 38.99 1sgo s ASN 67 CO 0.05 -0.31 -0.24 0.54 0.02 0.00 0.00 177.10 177.16 1sgo s VAL 68 N 1.67 1.89 -0.29 1.60 0.11 -0.62 -0.95 120.40 123.81 1sgo s VAL 68 Ca 0.05 -1.08 -0.01 0.00 -2.93 0.00 0.00 61.98 58.01 1sgo s VAL 68 Cb -0.18 -1.58 0.05 0.00 -1.53 0.00 0.00 36.38 33.14 1sgo s VAL 68 CO 0.09 0.48 -0.02 -0.70 -3.33 0.00 0.00 175.10 171.63 1sgo s GLU 69 N -0.69 2.44 1.13 1.54 2.12 0.56 -0.29 118.70 125.51 1sgo s GLU 69 Ca 0.09 -1.25 -0.15 0.00 0.36 0.00 0.00 54.97 54.03 1sgo s GLU 69 Cb -0.09 -3.14 0.25 0.00 0.26 0.00 0.00 34.13 31.41 1sgo s GLU 69 CO -0.00 -0.60 1.06 0.95 -0.54 0.00 0.00 175.26 176.13 1sgo s THR 70 N 1.24 1.87 -2.00 -1.70 -4.23 -0.44 -1.51 115.64 108.89 1sgo s THR 70 Ca -0.05 0.00 0.21 0.00 -1.18 0.00 0.00 61.69 60.67 1sgo s THR 70 Cb -0.20 -2.32 0.60 0.00 1.34 0.00 0.00 72.50 71.92 1sgo s THR 70 CO -0.02 0.00 1.67 0.29 -0.54 0.00 0.00 174.62 176.03 1sgo n LYS 71 N -4.65 0.77 -0.19 3.99 5.02 -1.26 -0.40 118.16 121.43 1sgo n LYS 71 Ca 0.06 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.46 1sgo n LYS 71 Cb 0.57 -1.43 0.26 0.00 -0.02 0.00 0.00 35.03 34.41 1sgo n LYS 71 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1sgo n GLU 72 N -0.93 2.32 -1.56 1.97 1.02 -1.26 -4.93 120.64 117.27 1sgo n GLU 72 Ca 0.16 -2.01 -0.13 0.00 -0.02 0.00 0.00 57.16 55.16 1sgo n GLU 72 Cb 0.07 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 29.97 1sgo n GLU 72 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1sgo n ARG 73 N 1.19 -0.95 -3.17 3.49 1.74 0.47 -4.98 116.66 114.45 1sgo n ARG 73 Ca 0.19 0.90 -0.40 0.00 -0.77 0.00 0.00 57.85 57.77 1sgo n ARG 73 Cb 0.53 -5.00 -0.06 0.00 -1.02 0.00 0.00 32.46 26.90 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 -2.77 6.65 -0.31 0.55 0.01 -1.25 -4.83 114.94 112.99 1sgo s ASN 74 Ca 0.00 0.79 -0.16 0.00 -0.71 0.00 0.00 52.86 52.78 1sgo s ASN 74 Cb 0.00 -2.33 -0.02 0.00 0.41 0.00 0.00 41.25 39.31 1sgo s ASN 74 CO 0.00 -0.23 0.42 -0.13 -1.51 0.00 0.00 177.10 175.65 1sgo s ARG 75 N 1.76 3.78 -0.12 -0.60 3.00 -1.26 -1.32 118.95 124.19 1sgo s ARG 75 Ca 0.27 -0.13 -0.00 0.00 0.00 0.00 0.00 55.73 55.87 1sgo s ARG 75 Cb -0.16 -3.74 -0.02 0.00 0.00 0.00 0.00 34.95 31.03 1sgo s ARG 75 CO 0.10 -0.45 -0.10 0.71 0.00 0.00 0.00 175.30 175.56 1sgo s TYR 76 N 2.16 2.86 -0.58 -0.53 2.02 0.60 -3.31 117.35 120.56 1sgo s TYR 76 Ca 0.15 -0.44 -0.20 0.00 -0.37 0.00 0.00 57.07 56.21 1sgo s TYR 76 Cb -0.16 -1.83 0.08 0.00 -0.40 0.00 0.00 41.96 39.64 1sgo s TYR 76 CO 0.11 -0.07 0.77 0.00 -1.57 0.00 0.00 175.55 174.80 1sgo s LEU 78 N 3.15 4.36 -0.53 0.00 1.43 0.57 -0.37 118.68 127.29 1sgo s LEU 78 Ca 0.17 0.74 -0.19 0.00 -1.03 0.00 0.00 54.13 53.82 1sgo s LEU 78 Cb -0.20 -2.49 0.07 0.00 0.03 0.00 0.00 46.19 43.60 1sgo s LEU 78 CO 0.10 0.20 0.65 -0.70 0.23 0.00 0.00 176.35 176.83 1sgo s GLU 79 N -0.26 3.10 -0.45 1.70 2.12 0.66 -0.83 118.70 124.74 1sgo s GLU 79 Ca 0.21 -1.00 -0.21 0.00 0.36 0.00 0.00 54.97 54.33 1sgo s GLU 79 Cb -0.15 -4.14 0.03 0.00 0.26 0.00 0.00 34.13 30.13 1sgo s GLU 79 CO 0.09 -1.30 0.65 -1.17 -0.54 0.00 0.00 175.26 172.98 1sgo s LEU 80 N 2.65 4.53 0.29 2.70 2.96 0.49 -2.30 118.68 130.00 1sgo s LEU 80 Ca 0.14 -0.39 0.03 0.00 -0.22 0.00 0.00 54.13 53.69 1sgo s LEU 80 Cb -0.20 -2.71 -0.06 0.00 0.50 0.00 0.00 46.19 43.72 1sgo s LEU 80 CO 0.10 -0.80 0.06 0.42 -1.32 0.00 0.00 176.35 174.81 1sgo s THR 81 N 2.84 1.01 0.37 3.68 -4.23 -0.93 -1.27 115.64 117.10 1sgo s THR 81 Ca 0.22 -2.01 0.16 0.00 -1.18 0.00 0.00 61.69 58.88 1sgo s THR 81 Cb -0.14 -2.67 0.14 0.00 1.34 0.00 0.00 72.50 71.16 1sgo s THR 81 CO 0.18 -0.06 1.87 -0.08 -0.54 0.00 0.00 174.62 176.00 1sgo h GLU 82 N 2.25 0.00 0.00 3.99 4.81 -1.97 -2.28 114.58 121.39 1sgo h GLU 82 Ca -0.40 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.80 1sgo h GLU 82 Cb 1.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1sgo h GLU 82 CO 0.66 0.31 -0.18 0.00 -0.73 0.00 0.00 179.01 179.08 1sgo h ALA 83 N 1.69 1.12 0.00 2.92 0.00 -1.96 -3.48 119.26 119.55 1sgo h ALA 83 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1sgo h ALA 83 Cb 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1sgo h ALA 83 CO 0.04 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.93 1sgo n GLY 84 N -0.21 -0.08 3.48 0.00 0.00 -0.86 -4.84 105.19 102.69 1sgo n GLY 84 Ca -0.01 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 43.90 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 3.16 0.28 0.99 1.02 -0.57 -2.20 118.68 121.36 1sgo s LEU 85 Ca 0.00 -0.15 0.11 0.00 0.02 0.00 0.00 54.13 54.11 1sgo s LEU 85 Cb 0.00 -1.75 -0.05 0.00 0.02 0.00 0.00 46.19 44.41 1sgo s LEU 85 CO 0.00 0.18 -0.18 -0.54 0.02 0.00 0.00 176.35 175.83 1sgo s LYS 86 N 0.27 1.67 -0.39 1.70 1.02 -0.97 -0.27 119.74 122.77 1sgo s LYS 86 Ca -0.04 -1.77 -0.22 0.00 0.02 0.00 0.00 55.97 53.96 1sgo s LYS 86 Cb -0.14 -1.71 0.01 0.00 -0.52 0.00 0.00 37.83 35.47 1sgo s LYS 86 CO 0.03 0.30 0.70 0.08 -0.92 0.00 0.00 175.35 175.54 1sgo s VAL 87 N -2.56 4.79 -0.19 3.17 1.01 -1.26 -0.24 120.40 125.12 1sgo s VAL 87 Ca 0.30 0.58 0.15 0.00 0.00 0.00 0.00 61.98 63.01 1sgo s VAL 87 Cb -0.04 -4.17 0.43 0.00 0.00 0.00 0.00 36.38 32.60 1sgo s VAL 87 CO 0.14 -0.46 1.31 1.33 0.00 0.00 0.00 175.10 177.43 1sgo n VAL 88 N 5.78 2.20 0.00 2.92 0.24 0.50 -4.74 118.33 125.23 1sgo n VAL 88 Ca 0.01 -2.35 0.00 0.00 -2.04 0.00 0.00 64.34 59.95 1sgo n VAL 88 Cb 0.48 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.59 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 -1.03 1.95 1.19 7.63 0.00 -1.15 0.03 105.19 113.81 1sgo n GLY 89 Ca 0.22 -0.41 -0.04 0.00 0.00 0.00 0.00 46.02 45.79 1sgo n GLY 89 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sgo n TYR 90 N -0.39 1.17 -3.88 1.61 4.01 -1.26 -0.34 117.16 118.08 1sgo n TYR 90 Ca 0.00 -1.53 -0.08 0.00 -0.16 0.00 0.00 57.90 56.13 1sgo n TYR 90 Cb 0.00 -0.50 -0.03 0.00 -0.31 0.00 0.00 39.34 38.51 1sgo n TYR 90 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sgo s ALA 91 N -3.20 -0.98 0.22 -0.72 0.00 -1.21 -4.63 121.76 111.23 1sgo s ALA 91 Ca 0.45 -0.43 -0.30 0.00 0.00 0.00 0.00 51.96 51.68 1sgo s ALA 91 Cb 0.40 0.90 -0.09 0.00 0.00 0.00 0.00 23.12 24.34 1sgo s ALA 91 CO 0.01 -0.98 1.31 -0.06 0.00 0.00 0.00 175.76 176.04 1sgo s PHE 92 N -3.94 3.23 -0.65 0.00 0.08 -1.26 -3.07 117.98 112.37 1sgo s PHE 92 Ca 0.14 1.23 0.00 0.00 0.12 0.00 0.00 56.93 58.42 1sgo s PHE 92 Cb -0.04 -3.62 0.00 0.00 -0.57 0.00 0.00 43.02 38.79 1sgo s PHE 92 CO 0.07 -1.90 0.00 -0.40 -0.10 0.00 0.00 175.22 172.88 1sgo n ASP 93 N 2.43 -2.14 -4.30 1.36 5.68 -1.26 -4.91 116.55 113.40 1sgo n ASP 93 Ca 0.05 0.24 -0.36 0.00 -0.50 0.00 0.00 54.79 54.23 1sgo n ASP 93 Cb 0.43 -2.07 -0.14 0.00 -1.14 0.00 0.00 41.12 38.20 1sgo n ASP 93 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1sgo s GLN 94 N -3.69 3.15 -0.43 0.11 0.74 -1.18 -5.05 119.66 113.30 1sgo s GLN 94 Ca 0.00 -0.79 -0.16 0.00 0.05 0.00 0.00 55.36 54.46 1sgo s GLN 94 Cb 0.00 -3.14 0.03 0.00 1.10 0.00 0.00 33.01 31.00 1sgo s GLN 94 CO 0.00 -0.33 0.37 0.08 -0.55 0.00 0.00 175.29 174.86 1sgo s VAL 95 N 1.45 5.20 -0.78 1.34 1.01 -1.25 -3.99 120.40 123.37 1sgo s VAL 95 Ca 0.03 -0.68 -0.24 0.00 0.00 0.00 0.00 61.98 61.09 1sgo s VAL 95 Cb -0.16 -4.02 0.05 0.00 0.00 0.00 0.00 36.38 32.25 1sgo s VAL 95 CO -0.01 -0.42 1.21 -1.81 0.00 0.00 0.00 175.10 174.06 1sgo s ASP 96 N 1.97 6.26 0.20 3.32 1.01 0.10 -4.87 116.67 124.68 1sgo s ASP 96 Ca 0.07 -0.90 0.23 0.00 0.71 0.00 0.00 52.55 52.65 1sgo s ASP 96 Cb -0.20 -2.51 0.91 0.00 1.01 0.00 0.00 42.92 42.14 1sgo s ASP 96 CO 0.10 -1.61 1.69 -0.90 0.21 0.00 0.00 175.17 174.66 1sgo n ASP 97 N 8.60 0.57 0.02 0.27 5.75 -1.26 -2.43 116.55 128.06 1sgo n ASP 97 Ca 0.08 0.62 0.14 0.00 -0.01 0.00 0.00 54.79 55.62 1sgo n ASP 97 Cb 0.48 -0.75 0.54 0.00 -1.03 0.00 0.00 41.12 40.37 1sgo n ASP 97 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 1sgo n HIS 98 N -2.11 0.14 -2.28 2.11 -0.00 -1.26 -4.84 115.22 106.98 1sgo n HIS 98 Ca 0.03 0.04 -0.41 0.00 0.46 0.00 0.00 57.72 57.84 1sgo n HIS 98 Cb 0.25 -0.54 -0.03 0.00 -0.12 0.00 0.00 29.99 29.55 1sgo n HIS 98 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1sgo s LEU 99 N -3.24 4.45 -0.09 0.27 1.43 -1.02 -4.93 118.68 115.55 1sgo s LEU 99 Ca 0.13 2.38 0.13 0.00 -1.03 0.00 0.00 54.13 55.74 1sgo s LEU 99 Cb 0.18 -3.62 0.19 0.00 0.03 0.00 0.00 46.19 42.97 1sgo s LEU 99 CO 0.56 -0.43 1.08 0.00 0.23 0.00 0.00 176.35 177.80 1sgo n GLN 100 N 2.08 1.13 -1.68 1.70 0.00 -1.26 -5.04 117.38 114.31 1sgo n GLN 100 Ca 0.03 -2.08 -0.44 0.00 0.00 0.00 0.00 57.00 54.51 1sgo n GLN 100 Cb 0.43 -1.21 -0.02 0.00 0.00 0.00 0.00 30.24 29.44 1sgo n GLN 100 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1sgo n THR 101 N -1.00 1.09 -1.48 -0.39 5.66 -1.26 -4.95 114.28 111.94 1sgo n THR 101 Ca 0.11 -0.27 -0.32 0.00 -3.05 0.00 0.00 64.05 60.52 1sgo n THR 101 Cb 0.61 -1.50 0.07 0.00 -1.55 0.00 0.00 70.33 67.96 1sgo n THR 101 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 1sgo s PRO 102 N -0.60 2.54 0.23 1.09 0.02 -1.26 -4.71 135.00 132.31 1sgo s PRO 102 Ca 0.66 1.22 -0.31 0.00 0.02 0.00 0.00 61.00 62.59 1sgo s PRO 102 Cb -0.63 -1.93 -0.11 0.00 0.02 0.00 0.00 34.50 31.85 1sgo s PRO 102 CO 0.51 -1.43 1.56 0.71 -0.33 0.00 0.00 177.00 178.02 1sgo s TYR 103 N -2.72 2.95 0.09 6.54 1.51 -1.26 -4.63 117.35 119.84 1sgo s TYR 103 Ca 0.63 0.75 0.01 0.00 -1.01 0.00 0.00 57.07 57.45 1sgo s TYR 103 Cb -0.18 -3.96 -0.04 0.00 -0.11 0.00 0.00 41.96 37.68 1sgo s TYR 103 CO 0.50 -3.35 0.20 -1.01 -1.11 0.00 0.00 175.55 170.78 1sgo s HIS 104 N 0.52 3.43 0.03 2.71 3.76 0.63 -4.82 115.29 121.54 1sgo s HIS 104 Ca 0.66 0.17 -0.11 0.00 -0.15 0.00 0.00 55.06 55.63 1sgo s HIS 104 Cb -0.45 -1.70 -0.05 0.00 1.11 0.00 0.00 32.58 31.49 1sgo s HIS 104 CO 0.39 0.56 1.17 0.93 -0.85 0.00 0.00 174.74 176.94 1sgo h GLU 105 N 2.86 -0.30 -5.13 1.40 3.07 -1.91 -1.53 114.58 113.05 1sgo h GLU 105 Ca -0.46 0.02 -0.41 0.00 -0.50 0.00 0.00 59.36 58.00 1sgo h GLU 105 Cb 1.17 0.07 -0.14 0.00 -0.84 0.00 0.00 28.75 29.01 1sgo h GLU 105 CO 0.72 -0.20 -0.63 0.95 -1.40 0.00 0.00 179.01 178.44 1sgo s THR 106 N -3.87 1.05 0.07 1.13 -4.23 -1.26 -4.62 115.64 103.91 1sgo s THR 106 Ca -0.05 -2.02 0.26 0.00 -1.18 0.00 0.00 61.69 58.70 1sgo s THR 106 Cb 0.01 -2.56 0.28 0.00 1.34 0.00 0.00 72.50 71.58 1sgo s THR 106 CO 0.18 -0.16 1.84 1.62 -0.54 0.00 0.00 174.62 177.57 1sgo h VAL 107 N 2.32 0.37 -0.00 2.29 3.04 -1.98 -1.87 116.25 120.42 1sgo h VAL 107 Ca -0.39 -0.98 -0.00 0.00 -1.01 0.00 0.00 66.70 64.32 1sgo h VAL 107 Cb 1.23 1.73 -0.00 0.00 -2.01 0.00 0.00 31.29 32.25 1sgo h VAL 107 CO 0.66 0.15 -0.00 1.88 -1.01 0.00 0.00 177.57 179.25 1sgo h TYR 108 N 0.00 0.01 0.00 3.17 0.05 -1.98 0.16 116.97 118.38 1sgo h TYR 108 Ca -0.00 -0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.67 1sgo h TYR 108 Cb 0.72 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.44 1sgo h TYR 108 CO 0.00 0.48 -0.52 0.66 -1.05 0.00 0.00 178.16 177.74 1sgo h SER 109 N -0.46 0.00 0.04 3.88 4.64 -1.97 -2.15 113.55 117.52 1sgo h SER 109 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sgo h SER 109 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1sgo h SER 109 CO 0.00 0.52 -0.02 0.25 -0.87 0.00 0.00 176.83 176.71 1sgo h LEU 110 N 0.00 -0.04 -1.95 5.97 5.85 -1.29 -2.98 115.31 120.87 1sgo h LEU 110 Ca -0.01 -0.45 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 1sgo h LEU 110 Cb 1.15 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 1sgo h LEU 110 CO 0.07 0.44 -0.11 0.25 -0.34 0.00 0.00 178.44 178.74 1sgo h LEU 111 N -0.53 0.00 -0.85 2.25 5.85 -0.68 -1.20 115.31 120.15 1sgo h LEU 111 Ca -0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1sgo h LEU 111 Cb 0.49 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1sgo h LEU 111 CO 0.01 0.11 0.53 -0.78 -0.34 0.00 0.00 178.44 177.97 1sgo h ASP 112 N 0.00 1.01 1.26 1.25 1.82 -1.30 0.25 116.42 120.72 1sgo h ASP 112 Ca -0.00 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.58 1sgo h ASP 112 Cb 0.29 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.05 1sgo h ASP 112 CO 0.01 0.77 0.00 0.71 -1.61 0.00 0.00 179.24 179.13 1sgo h THR 113 N 1.17 0.00 0.00 2.25 1.35 -1.07 -3.21 112.91 113.40 1sgo h THR 113 Ca 0.31 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1sgo h THR 113 Cb -0.07 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1sgo h THR 113 CO -0.06 0.00 -1.79 0.18 -0.25 0.00 0.00 175.52 173.60 1sgo n LEU 114 N -2.32 0.09 -3.28 3.87 4.77 -0.75 -4.86 117.00 114.52 1sgo n LEU 114 Ca 0.04 -0.05 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 1sgo n LEU 114 Cb 0.37 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 1sgo n LEU 114 CO 0.27 0.02 0.06 -0.44 -1.33 0.00 0.00 177.39 175.97 1sgo s SER 115 N -4.10 -0.58 0.61 -1.43 0.01 0.00 -4.78 113.70 103.43 1sgo s SER 115 Ca -0.06 0.60 0.38 0.00 1.31 0.00 0.00 55.95 58.18 1sgo s SER 115 Cb 0.13 1.65 1.94 0.00 0.21 0.00 0.00 66.02 69.95 1sgo s SER 115 CO 0.81 -0.28 2.21 1.55 0.41 0.00 0.00 173.24 177.94 1sgo h PRO 116 N 8.09 0.00 0.00 12.44 0.13 -1.83 -1.91 132.00 148.92 1sgo h PRO 116 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 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 0.26 0.02 0.00 0.00 -0.23 0.00 0.00 178.00 178.04 1sgo n ALA 117 N -2.12 1.87 -0.06 -0.56 0.00 -1.26 -2.76 120.51 115.62 1sgo n ALA 117 Ca -0.02 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.50 1sgo n ALA 117 Cb 0.17 -1.33 0.51 0.00 0.00 0.00 0.00 19.45 18.81 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 0.39 0.00 0.00 3.20 -1.58 -1.73 116.97 117.26 1sgo h TYR 118 Ca 0.00 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.76 1sgo h TYR 118 Cb 0.36 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 1sgo h TYR 118 CO 0.00 0.19 -0.55 0.00 -1.64 0.00 0.00 178.16 176.16 1sgo h ARG 119 N 0.37 0.00 -0.02 1.82 3.08 -1.75 -2.69 114.38 115.20 1sgo h ARG 119 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1sgo h ARG 119 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1sgo h ARG 119 CO -0.06 0.55 -0.00 0.39 -1.07 0.00 0.00 179.97 179.78 1sgo n GLU 120 N -3.44 1.73 -0.01 0.04 4.71 -0.70 -2.96 120.64 120.00 1sgo n GLU 120 Ca 0.00 -1.07 -0.00 0.00 -0.01 0.00 0.00 57.16 56.08 1sgo n GLU 120 Cb 0.66 -1.48 -0.00 0.00 -1.01 0.00 0.00 31.44 29.62 1sgo n GLU 120 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1sgo h ALA 121 N 4.39 0.00 0.07 0.62 0.00 -1.07 -3.28 119.26 119.99 1sgo h ALA 121 Ca 0.00 -0.12 -0.24 0.00 0.00 0.00 0.00 54.91 54.55 1sgo h ALA 121 Cb 0.55 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1sgo h ALA 121 CO 0.00 0.04 -1.09 0.74 0.00 0.00 0.00 179.25 178.94 1sgo h PHE 122 N -0.21 0.36 -0.69 0.00 0.04 -1.75 -2.86 116.94 111.83 1sgo h PHE 122 Ca 0.00 -0.24 0.06 0.00 2.80 0.00 0.00 57.97 60.59 1sgo h PHE 122 Cb 0.04 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.11 1sgo h PHE 122 CO -0.02 1.15 0.38 0.78 -0.60 0.00 0.00 178.31 180.00 1sgo h GLY 123 N 1.90 1.02 1.78 -1.45 0.00 -1.77 0.35 103.07 104.89 1sgo h GLY 123 Ca -0.09 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 46.86 1sgo h GLY 123 CO 0.17 0.15 -0.48 -0.57 0.00 0.00 0.00 176.54 175.81 1sgo h ASN 124 N 0.70 0.26 -0.13 0.19 -0.73 -1.61 0.10 115.58 114.36 1sgo h ASN 124 Ca 0.31 -0.12 -0.06 0.00 1.87 0.00 0.00 56.30 58.30 1sgo h ASN 124 Cb 0.21 -0.07 -0.00 0.00 0.27 0.00 0.00 38.32 38.73 1sgo h ASN 124 CO -0.19 0.70 -0.15 0.00 -0.37 0.00 0.00 177.43 177.42 1sgo h ALA 125 N 1.31 0.19 -0.52 1.57 0.00 -1.13 0.47 119.26 121.15 1sgo h ALA 125 Ca 0.01 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 1sgo h ALA 125 Cb 0.92 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1sgo h ALA 125 CO 0.07 0.08 -0.08 -0.07 0.00 0.00 0.00 179.25 179.26 1sgo h LEU 126 N -0.06 0.94 -0.80 0.00 4.07 -0.91 -2.74 115.31 115.80 1sgo h LEU 126 Ca 0.02 -0.29 0.07 0.00 0.08 0.00 0.00 57.88 57.77 1sgo h LEU 126 Cb 0.69 -0.25 -0.06 0.00 1.08 0.00 0.00 40.66 42.11 1sgo h LEU 126 CO 0.04 1.04 0.47 0.25 -1.08 0.00 0.00 178.44 179.16 1sgo h LEU 127 N 0.85 0.71 -1.84 1.67 7.12 -0.68 -2.23 115.31 120.91 1sgo h LEU 127 Ca 0.14 0.03 -0.03 0.00 0.13 0.00 0.00 57.88 58.16 1sgo h LEU 127 Cb 0.61 -0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 40.62 1sgo h LEU 127 CO 0.04 0.43 -0.12 -0.61 -0.13 0.00 0.00 178.44 178.05 1sgo h GLN 128 N 0.84 0.00 0.00 1.25 5.75 -0.59 0.26 115.11 122.62 1sgo h GLN 128 Ca 0.37 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.83 1sgo h GLN 128 Cb 0.26 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 1sgo h GLN 128 CO -0.21 0.12 -0.17 0.00 -2.65 0.00 0.00 178.83 175.93 1sgo h ARG 129 N 0.00 0.00 0.07 1.69 -0.00 -1.36 0.28 114.38 115.06 1sgo h ARG 129 Ca -0.00 0.00 -0.36 0.00 -0.50 0.00 0.00 59.98 59.12 1sgo h ARG 129 Cb 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 30.18 1sgo h ARG 129 CO 0.02 0.17 -2.09 1.28 0.00 0.00 0.00 179.97 179.35 1sgo n LEU 130 N -3.71 2.35 -0.21 3.04 4.32 -0.03 -3.71 117.00 119.06 1sgo n LEU 130 Ca -0.02 0.15 -0.09 0.00 -0.02 0.00 0.00 56.01 56.03 1sgo n LEU 130 Cb 0.28 -0.82 0.02 0.00 -1.62 0.00 0.00 43.42 41.28 1sgo n LEU 130 CO 0.32 0.80 0.87 -0.08 -1.22 0.00 0.00 177.39 178.08 1sgo h GLU 131 N 0.04 0.98 -0.58 3.23 4.81 -0.29 -0.33 114.58 122.44 1sgo h GLU 131 Ca -0.45 -0.27 -0.06 0.00 -0.13 0.00 0.00 59.36 58.46 1sgo h GLU 131 Cb 2.01 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 31.26 1sgo h GLU 131 CO 0.04 0.93 0.14 0.00 -0.73 0.00 0.00 179.01 179.39 1sgo h ALA 132 N 1.01 1.14 -0.07 2.92 0.00 -0.66 -2.04 119.26 121.57 1sgo h ALA 132 Ca 0.18 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1sgo h ALA 132 Cb 0.44 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1sgo h ALA 132 CO 0.01 0.58 -0.33 1.25 0.00 0.00 0.00 179.25 180.76 1sgo h LEU 133 N 0.87 0.13 -0.64 0.00 6.46 -1.52 0.22 115.31 120.84 1sgo h LEU 133 Ca 0.19 -0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.86 1sgo h LEU 133 Cb 0.32 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 1sgo h LEU 133 CO -0.00 0.46 0.22 0.11 -0.62 0.00 0.00 178.44 178.61 1sgo h LYS 134 N 0.11 0.98 -0.00 1.25 1.79 -0.40 -2.09 116.57 118.21 1sgo h LYS 134 Ca 0.01 -0.20 -0.18 0.00 -2.18 0.00 0.00 60.65 58.11 1sgo h LYS 134 Cb 0.65 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 1sgo h LYS 134 CO 0.05 0.85 -0.82 0.00 -1.08 0.00 0.00 179.45 178.45 1sgo h ARG 135 N 0.91 0.09 -2.89 3.15 3.08 -0.77 -3.40 114.38 114.55 1sgo h ARG 135 Ca 0.21 -0.10 -0.55 0.00 0.07 0.00 0.00 59.98 59.61 1sgo h ARG 135 Cb 0.27 0.03 -0.40 0.00 0.08 0.00 0.00 29.97 29.94 1sgo h ARG 135 CO -0.01 0.86 -0.79 0.34 -1.07 0.00 0.00 179.97 179.30 1sgo s ASP 136 N -6.85 3.52 0.00 7.04 2.15 0.72 -5.10 116.67 118.15 1sgo s ASP 136 Ca -0.01 -1.58 0.00 0.00 0.43 0.00 0.00 52.55 51.39 1sgo s ASP 136 Cb 0.11 -0.47 0.00 0.00 -0.30 0.00 0.00 42.92 42.26 1sgo s ASP 136 CO 0.81 -0.40 0.00 0.61 -0.17 0.00 0.00 175.17 176.01 1sgo n GLY 137 N 4.88 3.81 3.04 2.66 0.00 -0.80 -4.22 105.19 114.55 1sgo n GLY 137 Ca -0.01 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 1sgo n GLY 137 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sgo s GLN 138 N -2.51 2.07 0.00 1.61 1.11 -1.26 -4.68 119.66 115.99 1sgo s GLN 138 Ca 0.00 -2.32 0.00 0.00 0.01 0.00 0.00 55.36 53.05 1sgo s GLN 138 Cb 0.00 -3.47 0.00 0.00 -1.01 0.00 0.00 33.01 28.53 1sgo s GLN 138 CO 0.00 -1.09 0.00 0.43 0.01 0.00 0.00 175.29 174.64