#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgo s GLU 2 N 0.00 1.07 0.00 3.17 2.12 -1.26 -4.92 118.70 118.88 1sgo s GLU 2 Ca 0.00 -0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.05 1sgo s GLU 2 Cb 0.00 -1.67 0.00 0.00 0.26 0.00 0.00 34.13 32.72 1sgo s GLU 2 CO 0.00 -0.41 0.75 -2.37 -0.54 0.00 0.00 175.26 172.69 1sgo n THR 3 N 5.00 0.00 -3.09 -1.70 5.66 -1.26 -5.02 114.28 113.86 1sgo n THR 3 Ca -0.10 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.82 1sgo n THR 3 Cb 0.49 0.70 0.04 0.00 -1.55 0.00 0.00 70.33 70.00 1sgo n THR 3 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1sgo n ASP 4 N 0.00 -6.98 0.00 1.09 9.92 -1.26 -4.13 116.55 115.19 1sgo n ASP 4 Ca 0.00 -0.39 0.00 0.00 -0.53 0.00 0.00 54.79 53.87 1sgo n ASP 4 Cb 0.60 -5.07 0.00 0.00 -0.64 0.00 0.00 41.12 36.01 1sgo n ASP 4 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1sgo s ASN 6 N -4.00 -0.73 0.00 0.00 4.22 -1.26 -5.12 114.94 108.06 1sgo s ASN 6 Ca 0.00 1.01 0.00 0.00 -2.14 0.00 0.00 52.86 51.73 1sgo s ASN 6 Cb 0.00 1.80 0.00 0.00 1.28 0.00 0.00 41.25 44.33 1sgo s ASN 6 CO 0.00 -0.14 0.05 -2.65 -2.04 0.00 0.00 177.10 172.31 1sgo n PRO 7 N 5.01 0.00 0.00 3.55 -0.02 -1.26 -5.07 135.00 137.21 1sgo n PRO 7 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1sgo n PRO 7 Cb 0.52 -0.30 0.00 0.00 -0.02 0.00 0.00 33.50 33.70 1sgo n PRO 7 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1sgo n MET 8 N -0.14 0.00 -2.00 -0.52 2.81 -1.26 -5.11 117.12 110.89 1sgo n MET 8 Ca 0.00 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.46 1sgo n MET 8 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.48 1sgo n MET 8 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1sgo s GLU 9 N 0.00 3.69 -0.13 0.03 8.01 -1.26 -3.93 118.70 125.12 1sgo s GLU 9 Ca 0.00 1.76 -0.04 0.00 0.01 0.00 0.00 54.97 56.70 1sgo s GLU 9 Cb 0.00 -4.11 0.02 0.00 -4.31 0.00 0.00 34.13 25.73 1sgo s GLU 9 CO 0.00 -1.43 0.09 -0.11 0.01 0.00 0.00 175.26 173.82 1sgo n LEU 10 N 8.96 -4.63 -4.56 1.80 7.94 -1.26 -4.85 117.00 120.41 1sgo n LEU 10 Ca 0.21 1.08 -0.31 0.00 -1.11 0.00 0.00 56.01 55.87 1sgo n LEU 10 Cb 0.45 -2.25 -0.04 0.00 0.53 0.00 0.00 43.42 42.10 1sgo n LEU 10 CO 0.66 -2.03 1.41 -0.44 -1.11 0.00 0.00 177.39 175.88 1sgo s SER 11 N -0.56 5.52 0.51 1.96 0.01 -1.25 -4.95 113.70 114.94 1sgo s SER 11 Ca -0.10 -1.00 0.01 0.00 1.31 0.00 0.00 55.95 56.17 1sgo s SER 11 Cb 0.01 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.69 1sgo s SER 11 CO 0.43 -2.42 0.73 -0.94 0.41 0.00 0.00 173.24 171.45 1sgo s SER 12 N 7.04 5.47 0.38 2.44 1.04 -1.26 -5.08 113.70 123.73 1sgo s SER 12 Ca 0.64 0.07 -0.24 0.00 0.48 0.00 0.00 55.95 56.90 1sgo s SER 12 Cb -0.04 -1.08 -0.10 0.00 0.10 0.00 0.00 66.02 64.90 1sgo s SER 12 CO -0.02 -0.99 0.98 -0.04 0.98 0.00 0.00 173.24 174.16 1sgo s MET 13 N -4.68 4.33 0.00 4.02 -1.94 -1.26 -4.96 119.30 114.80 1sgo s MET 13 Ca 0.54 1.33 0.26 0.00 -1.71 0.00 0.00 55.69 56.11 1sgo s MET 13 Cb -0.10 -2.53 0.55 0.00 2.01 0.00 0.00 34.83 34.76 1sgo s MET 13 CO 0.38 0.04 1.45 -1.13 -0.01 0.00 0.00 175.02 175.75 1sgo n SER 14 N -0.01 1.97 0.00 3.03 3.41 -1.26 -4.95 113.62 115.81 1sgo n SER 14 Ca 0.05 -1.55 0.00 0.00 -0.26 0.00 0.00 58.87 57.11 1sgo n SER 14 Cb 0.51 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1sgo n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sgo n GLY 15 N 1.30 0.59 0.23 5.00 0.00 -1.26 -5.01 105.19 106.03 1sgo n GLY 15 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 1sgo n GLY 15 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1sgo h PHE 16 N 0.00 0.94 -0.56 1.61 3.57 -1.99 -3.10 116.94 117.40 1sgo h PHE 16 Ca 0.00 -0.28 0.00 0.00 3.53 0.00 0.00 57.97 61.22 1sgo h PHE 16 Cb 0.00 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.54 1sgo h PHE 16 CO 0.00 1.05 0.00 0.39 -2.23 0.00 0.00 178.31 177.52 1sgo n GLU 17 N -4.20 4.62 -0.13 1.11 1.02 -1.26 -4.34 120.64 117.45 1sgo n GLU 17 Ca -0.03 -2.98 -0.10 0.00 -0.02 0.00 0.00 57.16 54.03 1sgo n GLU 17 Cb 0.49 -2.20 -0.02 0.00 -0.02 0.00 0.00 31.44 29.69 1sgo n GLU 17 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1sgo h GLU 18 N 3.82 0.65 0.00 3.49 4.57 -1.94 -3.48 114.58 121.69 1sgo h GLU 18 Ca 0.00 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1sgo h GLU 18 Cb 1.87 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 30.39 1sgo h GLU 18 CO 0.45 0.72 0.00 0.41 -1.18 0.00 0.00 179.01 179.41 1sgo n GLY 19 N -0.44 4.54 0.08 1.92 0.00 -1.26 -5.07 105.19 104.96 1sgo n GLY 19 Ca -0.01 -0.92 -0.07 0.00 0.00 0.00 0.00 46.02 45.02 1sgo n GLY 19 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sgo n SER 20 N 0.00 1.84 -3.99 1.61 7.64 -1.26 -4.99 113.62 114.47 1sgo n SER 20 Ca 0.00 0.55 -0.17 0.00 1.01 0.00 0.00 58.87 60.26 1sgo n SER 20 Cb 0.00 -0.84 -0.14 0.00 -1.01 0.00 0.00 64.21 62.22 1sgo n SER 20 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1sgo s GLU 21 N -2.42 0.56 -1.01 1.43 2.02 -1.26 -5.09 118.70 112.93 1sgo s GLU 21 Ca -0.19 -0.28 -0.11 0.00 0.02 0.00 0.00 54.97 54.40 1sgo s GLU 21 Cb 0.03 -0.53 0.25 0.00 0.10 0.00 0.00 34.13 33.98 1sgo s GLU 21 CO 0.29 0.14 1.00 -1.17 0.02 0.00 0.00 175.26 175.54 1sgo s LEU 22 N -0.26 6.46 -0.11 1.80 2.96 -1.26 -4.97 118.68 123.30 1sgo s LEU 22 Ca 0.02 -3.25 -0.03 0.00 -0.22 0.00 0.00 54.13 50.65 1sgo s LEU 22 Cb -0.03 -2.22 0.04 0.00 0.50 0.00 0.00 46.19 44.49 1sgo s LEU 22 CO -0.00 -0.41 0.06 0.21 -1.32 0.00 0.00 176.35 174.89 1sgo s ASN 23 N 1.67 1.84 -0.39 3.68 3.04 -1.26 -5.10 114.94 118.42 1sgo s ASN 23 Ca 0.26 -0.29 -0.22 0.00 0.04 0.00 0.00 52.86 52.65 1sgo s ASN 23 Cb -0.10 -0.29 0.01 0.00 -1.54 0.00 0.00 41.25 39.34 1sgo s ASN 23 CO -0.08 -0.28 0.72 -0.83 -3.04 0.00 0.00 177.10 173.59 1sgo s GLY 24 N 2.08 1.68 0.18 1.21 0.00 -1.26 -4.94 107.32 106.27 1sgo s GLY 24 Ca 0.03 -0.87 -0.11 0.00 0.00 0.00 0.00 44.72 43.77 1sgo s GLY 24 CO -0.06 1.65 1.75 -2.75 0.00 0.00 0.00 173.10 173.69 1sgo h PHE 25 N 8.65 0.97 -0.63 1.90 3.57 -1.99 -1.38 116.94 128.04 1sgo h PHE 25 Ca -0.25 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.18 1sgo h PHE 25 Cb 1.10 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.54 1sgo h PHE 25 CO 0.77 0.75 0.00 -1.91 -2.23 0.00 0.00 178.31 175.69 1sgo n GLU 26 N -4.44 3.53 0.00 1.11 2.13 -1.26 -4.96 120.64 116.76 1sgo n GLU 26 Ca 0.04 -2.82 0.00 0.00 0.66 0.00 0.00 57.16 55.05 1sgo n GLU 26 Cb 0.16 -1.81 0.00 0.00 0.27 0.00 0.00 31.44 30.05 1sgo n GLU 26 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sgo n GLY 27 N 1.09 2.78 2.73 8.31 0.00 -0.52 -4.80 105.19 114.78 1sgo n GLY 27 Ca 0.25 -0.69 -0.16 0.00 0.00 0.00 0.00 46.02 45.42 1sgo n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sgo s THR 28 N 0.00 -0.34 -0.91 2.61 2.01 -1.26 -4.40 115.64 113.34 1sgo s THR 28 Ca 0.00 -1.18 0.23 0.00 0.31 0.00 0.00 61.69 61.05 1sgo s THR 28 Cb 0.00 -0.64 0.21 0.00 0.01 0.00 0.00 72.50 72.08 1sgo s THR 28 CO 0.00 -0.59 1.73 0.47 -0.69 0.00 0.00 174.62 175.55 1sgo n ASP 29 N 3.89 0.18 -3.70 3.53 9.92 -1.26 -4.51 116.55 124.60 1sgo n ASP 29 Ca 0.15 0.53 -0.19 0.00 -0.53 0.00 0.00 54.79 54.75 1sgo n ASP 29 Cb 0.47 -0.57 -0.17 0.00 -0.64 0.00 0.00 41.12 40.21 1sgo n ASP 29 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1sgo s MET 30 N -3.05 -0.06 0.25 -1.24 0.23 -1.26 -5.11 119.30 109.06 1sgo s MET 30 Ca 0.10 0.33 0.12 0.00 -1.03 0.00 0.00 55.69 55.20 1sgo s MET 30 Cb 0.14 -0.44 -0.05 0.00 -1.53 0.00 0.00 34.83 32.95 1sgo s MET 30 CO 0.44 -0.29 -0.19 0.21 -2.03 0.00 0.00 175.02 173.16 1sgo s LYS 31 N 1.87 1.72 -0.74 3.16 2.20 -1.26 -5.07 119.74 121.61 1sgo s LYS 31 Ca 0.01 -1.66 -0.24 0.00 -0.36 0.00 0.00 55.97 53.72 1sgo s LYS 31 Cb -0.12 -1.84 0.06 0.00 -1.51 0.00 0.00 37.83 34.41 1sgo s LYS 31 CO -0.03 0.35 1.14 0.34 -0.36 0.00 0.00 175.35 176.79 1sgo s ASP 32 N -3.30 6.23 0.25 1.43 -1.08 -1.26 -3.86 116.67 115.07 1sgo s ASP 32 Ca 0.28 -0.90 0.25 0.00 -0.52 0.00 0.00 52.55 51.66 1sgo s ASP 32 Cb -0.06 -2.48 0.89 0.00 -1.46 0.00 0.00 42.92 39.80 1sgo s ASP 32 CO 0.14 -1.57 1.75 -0.03 0.52 0.00 0.00 175.17 175.98 1sgo h MET 33 N 9.71 0.00 -0.65 4.34 1.85 -0.26 -3.12 114.93 126.79 1sgo h MET 33 Ca -0.21 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.88 1sgo h MET 33 Cb 1.05 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 33.05 1sgo h MET 33 CO 1.23 0.00 0.42 0.00 -0.40 0.00 0.00 176.91 178.16 1sgo h ARG 34 N 0.00 0.87 0.11 0.39 -0.00 -1.88 0.13 114.38 113.99 1sgo h ARG 34 Ca 0.00 -0.06 -0.29 0.00 -0.50 0.00 0.00 59.98 59.13 1sgo h ARG 34 Cb 0.59 -0.19 0.02 0.00 0.00 0.00 0.00 29.97 30.39 1sgo h ARG 34 CO 0.00 0.59 -1.22 -0.07 0.00 0.00 0.00 179.97 179.28 1sgo h LEU 35 N 0.88 0.79 -2.05 3.04 3.38 -1.94 -2.57 115.31 116.85 1sgo h LEU 35 Ca 0.24 -0.73 0.06 0.00 0.09 0.00 0.00 57.88 57.54 1sgo h LEU 35 Cb -0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1sgo h LEU 35 CO -0.05 1.54 0.17 -0.33 0.09 0.00 0.00 178.44 179.86 1sgo h GLU 36 N 0.25 0.00 -0.00 1.13 4.39 -1.46 -0.13 114.58 118.76 1sgo h GLU 36 Ca -0.17 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 1sgo h GLU 36 Cb 1.89 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.54 1sgo h GLU 36 CO 0.23 0.00 -0.00 0.00 -1.16 0.00 0.00 179.01 178.08 1sgo h ALA 37 N 1.87 0.00 -0.34 3.43 0.00 -0.53 -2.52 119.26 121.17 1sgo h ALA 37 Ca 0.11 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1sgo h ALA 37 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1sgo h ALA 37 CO -0.00 -0.15 0.10 0.93 0.00 0.00 0.00 179.25 180.13 1sgo h GLU 38 N -0.69 0.49 -0.07 0.00 5.08 -1.02 -0.50 114.58 117.87 1sgo h GLU 38 Ca -0.00 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1sgo h GLU 38 Cb 0.70 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1sgo h GLU 38 CO 0.00 0.44 0.02 0.00 -1.00 0.00 0.00 179.01 178.47 1sgo h ALA 39 N 1.63 0.10 -0.23 3.43 0.00 -1.06 -1.83 119.26 121.29 1sgo h ALA 39 Ca 0.12 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sgo h ALA 39 Cb 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1sgo h ALA 39 CO -0.01 -0.28 0.14 0.28 0.00 0.00 0.00 179.25 179.38 1sgo h VAL 40 N -0.09 1.10 -0.16 0.00 2.07 -0.97 -2.32 116.25 115.87 1sgo h VAL 40 Ca 0.02 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.33 1sgo h VAL 40 Cb 0.23 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1sgo h VAL 40 CO -0.00 0.09 0.00 0.58 0.02 0.00 0.00 177.57 178.27 1sgo h VAL 41 N 0.28 0.89 0.00 2.57 2.07 -1.08 -2.74 116.25 118.24 1sgo h VAL 41 Ca 0.08 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1sgo h VAL 41 Cb 0.03 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1sgo h VAL 41 CO -0.01 0.01 0.00 0.59 0.02 0.00 0.00 177.57 178.18 1sgo n ASN 42 N -5.12 0.05 0.03 0.57 5.03 -0.69 -2.04 115.26 113.08 1sgo n ASN 42 Ca -0.03 0.51 -0.20 0.00 0.87 0.00 0.00 54.58 55.72 1sgo n ASN 42 Cb 0.09 -0.52 -0.14 0.00 -1.02 0.00 0.00 39.78 38.19 1sgo n ASN 42 CO 0.00 0.00 0.00 -0.78 -1.83 0.00 0.00 177.26 174.65 1sgo h ASP 43 N 0.00 0.41 -0.24 6.41 3.58 -1.10 -3.37 116.42 122.10 1sgo h ASP 43 Ca 0.00 -0.93 0.00 0.00 0.42 0.00 0.00 57.03 56.52 1sgo h ASP 43 Cb 0.48 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.40 1sgo h ASP 43 CO 0.00 1.41 0.00 1.33 -2.88 0.00 0.00 179.24 179.10 1sgo n VAL 44 N -4.12 1.62 -0.08 2.25 0.24 -1.20 -4.67 118.33 112.37 1sgo n VAL 44 Ca -0.16 -1.49 0.07 0.00 -2.04 0.00 0.00 64.34 60.72 1sgo n VAL 44 Cb 0.81 0.11 0.42 0.00 -1.47 0.00 0.00 33.84 33.72 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 1.55 0.50 -0.15 1.34 6.46 -1.58 -0.16 115.31 123.28 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 1.03 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.85 1sgo h LEU 45 CO 0.09 0.33 0.00 2.22 -0.62 0.00 0.00 178.44 180.47 1sgo n PHE 46 N -4.47 0.42 0.53 1.25 -1.74 -1.26 -2.63 117.46 109.55 1sgo n PHE 46 Ca 0.07 0.14 0.13 0.00 -0.56 0.00 0.00 57.45 57.23 1sgo n PHE 46 Cb 0.20 -0.72 0.30 0.00 1.52 0.00 0.00 39.48 40.77 1sgo n PHE 46 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1sgo h ALA 47 N 2.61 0.88 -3.84 1.98 0.00 -1.37 -3.46 119.26 116.05 1sgo h ALA 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sgo h ALA 47 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1sgo h ALA 47 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.58 1sgo n VAL 48 N -2.37 0.00 -0.10 0.00 0.24 -1.08 -3.89 118.33 111.14 1sgo n VAL 48 Ca 0.05 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.15 1sgo n VAL 48 Cb 0.45 -0.12 -0.11 0.00 -1.47 0.00 0.00 33.84 32.60 1sgo n VAL 48 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 1sgo h ASN 49 N 0.00 0.00 -5.11 -1.34 -1.24 -0.65 -3.42 115.58 103.82 1sgo h ASN 49 Ca 0.00 -0.50 -0.14 0.00 0.71 0.00 0.00 56.30 56.38 1sgo h ASN 49 Cb 0.00 0.00 -0.18 0.00 0.73 0.00 0.00 38.32 38.87 1sgo h ASN 49 CO 0.00 1.37 -0.61 0.20 -1.29 0.00 0.00 177.43 177.09 1sgo s ASN 50 N -6.68 0.29 -0.28 1.15 0.01 -0.69 -5.02 114.94 103.72 1sgo s ASN 50 Ca -0.26 -0.67 -0.16 0.00 -0.71 0.00 0.00 52.86 51.06 1sgo s ASN 50 Cb 0.05 0.19 0.11 0.00 0.41 0.00 0.00 41.25 42.00 1sgo s ASN 50 CO 0.56 -0.49 0.81 -0.32 -1.51 0.00 0.00 177.10 176.15 1sgo s MET 51 N -2.73 0.57 0.15 -0.60 1.75 -1.26 -0.12 119.30 117.06 1sgo s MET 51 Ca -0.04 1.00 -0.24 0.00 -1.25 0.00 0.00 55.69 55.17 1sgo s MET 51 Cb -0.01 0.15 0.07 0.00 2.84 0.00 0.00 34.83 37.88 1sgo s MET 51 CO -0.05 -0.12 0.66 -0.59 -0.65 0.00 0.00 175.02 174.26 1sgo s PHE 52 N 1.59 -0.47 0.22 4.11 -0.12 -0.84 -4.95 117.98 117.51 1sgo s PHE 52 Ca -0.09 0.25 -0.30 0.00 -0.05 0.00 0.00 56.93 56.74 1sgo s PHE 52 Cb -0.05 0.57 -0.09 0.00 -0.63 0.00 0.00 43.02 42.82 1sgo s PHE 52 CO -0.18 -0.84 1.34 0.54 -0.05 0.00 0.00 175.22 176.03 1sgo s VAL 53 N -3.66 3.05 0.11 -2.49 0.11 -1.26 -1.54 120.40 114.71 1sgo s VAL 53 Ca 0.03 0.88 -0.29 0.00 -2.93 0.00 0.00 61.98 59.67 1sgo s VAL 53 Cb -0.01 -3.56 -0.10 0.00 -1.53 0.00 0.00 36.38 31.18 1sgo s VAL 53 CO -0.10 0.14 1.62 0.28 -3.33 0.00 0.00 175.10 173.71 1sgo h SER 54 N 5.16 -0.86 -0.01 3.54 0.02 -1.80 -3.45 113.55 116.15 1sgo h SER 54 Ca -0.45 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1sgo h SER 54 Cb 1.22 0.32 -0.00 0.00 0.14 0.00 0.00 62.40 64.07 1sgo h SER 54 CO 0.77 -0.41 -0.00 1.17 -1.14 0.00 0.00 176.83 177.21 1sgo n LYS 55 N -5.41 -0.93 -0.09 3.45 4.81 -1.26 -4.79 118.16 113.92 1sgo n LYS 55 Ca -0.07 0.24 0.07 0.00 -0.87 0.00 0.00 58.31 57.68 1sgo n LYS 55 Cb 0.32 -3.95 0.12 0.00 0.02 0.00 0.00 35.03 31.54 1sgo n LYS 55 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1sgo n SER 56 N -0.46 2.44 0.00 3.14 3.41 -1.26 -5.00 113.62 115.89 1sgo n SER 56 Ca -0.00 -2.80 0.00 0.00 -0.26 0.00 0.00 58.87 55.81 1sgo n SER 56 Cb 0.24 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 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 -1.07 0.00 -3.73 1.04 7.99 -1.26 -4.95 117.00 115.01 1sgo n LEU 57 Ca 0.13 0.00 -0.30 0.00 -0.01 0.00 0.00 56.01 55.83 1sgo n LEU 57 Cb 0.57 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.74 1sgo n LEU 57 CO 0.02 0.00 -0.30 0.00 -1.51 0.00 0.00 177.39 175.60 1sgo s ARG 58 N 2.56 0.95 -0.93 3.23 3.03 -1.26 -5.06 118.95 121.48 1sgo s ARG 58 Ca 0.00 -1.46 -0.19 0.00 2.03 0.00 0.00 55.73 56.10 1sgo s ARG 58 Cb 0.00 -2.16 0.12 0.00 -1.03 0.00 0.00 34.95 31.88 1sgo s ARG 58 CO 0.00 -1.05 1.16 0.00 -1.13 0.00 0.00 175.30 174.27 1sgo n ALA 60 N 6.89 -0.11 0.18 0.00 0.00 -1.16 -4.97 120.51 121.33 1sgo n ALA 60 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1sgo n ALA 60 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.08 -2.73 -1.47 0.00 8.00 -1.26 -4.91 116.55 113.11 1sgo n ASP 61 Ca 0.00 0.67 0.07 0.00 0.71 0.00 0.00 54.79 56.23 1sgo n ASP 61 Cb 0.00 2.65 0.33 0.00 -0.02 0.00 0.00 41.12 44.08 1sgo n ASP 61 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1sgo n ASP 62 N -3.28 4.84 -3.81 -2.24 9.92 -1.25 0.53 116.55 121.25 1sgo n ASP 62 Ca 0.00 -3.01 -0.13 0.00 -0.53 0.00 0.00 54.79 51.12 1sgo n ASP 62 Cb 0.00 -0.63 -0.13 0.00 -0.64 0.00 0.00 41.12 39.72 1sgo n ASP 62 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1sgo s VAL 63 N -2.83 -0.01 -0.18 2.53 0.11 -1.26 -4.17 120.40 114.59 1sgo s VAL 63 Ca 0.49 0.04 -0.11 0.00 -2.93 0.00 0.00 61.98 59.47 1sgo s VAL 63 Cb 0.39 -0.18 0.06 0.00 -1.53 0.00 0.00 36.38 35.12 1sgo s VAL 63 CO 0.12 0.02 0.44 0.00 -3.33 0.00 0.00 175.10 172.35 1sgo s ALA 64 N 0.30 -1.13 -0.08 1.54 0.00 -0.73 -3.00 121.76 118.67 1sgo s ALA 64 Ca -0.02 1.54 -0.17 0.00 0.00 0.00 0.00 51.96 53.32 1sgo s ALA 64 Cb -0.03 -0.93 -0.05 0.00 0.00 0.00 0.00 23.12 22.11 1sgo s ALA 64 CO -0.01 -0.26 0.44 0.71 0.00 0.00 0.00 175.76 176.64 1sgo s TYR 65 N 1.17 3.59 -0.04 0.00 1.51 -1.26 -0.47 117.35 121.85 1sgo s TYR 65 Ca -0.08 0.91 0.05 0.00 -1.01 0.00 0.00 57.07 56.94 1sgo s TYR 65 Cb -0.07 -2.45 -0.01 0.00 -0.11 0.00 0.00 41.96 39.33 1sgo s TYR 65 CO -0.10 0.34 -0.18 0.42 -1.11 0.00 0.00 175.55 174.92 1sgo s ILE 66 N 0.00 1.45 -0.15 2.71 1.01 0.51 -2.43 121.20 124.30 1sgo s ILE 66 Ca 0.24 -0.74 -0.04 0.00 0.00 0.00 0.00 60.65 60.11 1sgo s ILE 66 Cb -0.16 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 1sgo s ILE 66 CO 0.11 0.42 -0.03 0.20 0.00 0.00 0.00 174.94 175.63 1sgo s ASN 67 N -0.10 4.84 -0.03 3.58 -0.87 -0.59 -0.41 114.94 121.36 1sgo s ASN 67 Ca -0.01 -0.11 0.07 0.00 -1.57 0.00 0.00 52.86 51.24 1sgo s ASN 67 Cb -0.10 -1.76 -0.02 0.00 -0.02 0.00 0.00 41.25 39.35 1sgo s ASN 67 CO 0.01 0.18 -0.24 0.54 -2.57 0.00 0.00 177.10 175.03 1sgo s VAL 68 N 0.27 1.90 -0.29 1.60 0.11 -0.44 -1.98 120.40 121.57 1sgo s VAL 68 Ca -0.03 -1.01 0.00 0.00 -2.93 0.00 0.00 61.98 58.01 1sgo s VAL 68 Cb -0.14 -1.59 0.06 0.00 -1.53 0.00 0.00 36.38 33.19 1sgo s VAL 68 CO 0.03 0.54 -0.03 -0.70 -3.33 0.00 0.00 175.10 171.61 1sgo s GLU 69 N -0.41 2.26 1.00 1.54 2.12 0.84 -0.35 118.70 125.69 1sgo s GLU 69 Ca 0.05 -1.38 -0.12 0.00 0.36 0.00 0.00 54.97 53.88 1sgo s GLU 69 Cb -0.11 -3.09 0.19 0.00 0.26 0.00 0.00 34.13 31.38 1sgo s GLU 69 CO 0.01 -0.65 1.08 0.95 -0.54 0.00 0.00 175.26 176.10 1sgo s THR 70 N 1.16 2.23 -1.53 -1.70 -4.23 -0.51 -0.17 115.64 110.90 1sgo s THR 70 Ca -0.05 0.07 0.15 0.00 -1.18 0.00 0.00 61.69 60.69 1sgo s THR 70 Cb -0.20 -2.45 0.30 0.00 1.34 0.00 0.00 72.50 71.49 1sgo s THR 70 CO -0.03 -0.10 1.42 0.29 -0.54 0.00 0.00 174.62 175.65 1sgo n LYS 71 N -4.26 0.26 -0.07 3.99 5.02 -1.26 -0.99 118.16 120.86 1sgo n LYS 71 Ca 0.05 0.12 0.12 0.00 -2.02 0.00 0.00 58.31 56.58 1sgo n LYS 71 Cb 0.56 -1.50 0.39 0.00 -0.02 0.00 0.00 35.03 34.45 1sgo n LYS 71 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1sgo n GLU 72 N -1.24 1.81 -0.65 1.97 2.13 -1.26 -4.90 120.64 118.50 1sgo n GLU 72 Ca 0.08 -1.21 0.00 0.00 0.66 0.00 0.00 57.16 56.69 1sgo n GLU 72 Cb 0.11 -1.43 0.00 0.00 0.27 0.00 0.00 31.44 30.39 1sgo n GLU 72 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1sgo n ARG 73 N 0.44 0.00 -2.92 5.31 1.74 -0.16 -4.97 116.66 116.11 1sgo n ARG 73 Ca 0.17 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.84 1sgo n ARG 73 Cb 0.38 -3.28 -0.04 0.00 -1.02 0.00 0.00 32.46 28.49 1sgo n ARG 73 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1sgo s ASN 74 N -2.63 7.12 0.05 0.55 2.47 -1.26 -4.80 114.94 116.44 1sgo s ASN 74 Ca 0.00 1.35 0.02 0.00 0.42 0.00 0.00 52.86 54.65 1sgo s ASN 74 Cb 0.00 -2.47 -0.04 0.00 -1.45 0.00 0.00 41.25 37.29 1sgo s ASN 74 CO 0.00 -0.18 0.08 -0.13 -3.72 0.00 0.00 177.10 173.14 1sgo s ARG 75 N 0.95 2.93 0.08 0.43 0.52 -1.26 -1.42 118.95 121.18 1sgo s ARG 75 Ca 0.43 -0.63 0.05 0.00 -0.52 0.00 0.00 55.73 55.06 1sgo s ARG 75 Cb -0.19 -2.76 -0.03 0.00 0.52 0.00 0.00 34.95 32.49 1sgo s ARG 75 CO 0.21 0.59 -0.14 0.71 0.02 0.00 0.00 175.30 176.69 1sgo s TYR 76 N -1.32 1.23 -0.24 -0.53 2.02 0.52 -3.98 117.35 115.05 1sgo s TYR 76 Ca 0.27 -0.47 -0.02 0.00 -0.37 0.00 0.00 57.07 56.47 1sgo s TYR 76 Cb -0.12 -0.69 0.01 0.00 -0.40 0.00 0.00 41.96 40.77 1sgo s TYR 76 CO 0.19 0.06 -0.06 0.00 -1.57 0.00 0.00 175.55 174.17 1sgo s LEU 78 N 1.38 2.50 -0.40 0.00 1.43 0.45 -1.58 118.68 122.47 1sgo s LEU 78 Ca 0.03 -0.39 -0.19 0.00 -1.03 0.00 0.00 54.13 52.55 1sgo s LEU 78 Cb -0.15 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.54 1sgo s LEU 78 CO -0.05 0.19 0.52 -0.70 0.23 0.00 0.00 176.35 176.54 1sgo s GLU 79 N 0.22 3.33 -0.26 1.70 2.12 0.67 -0.37 118.70 126.12 1sgo s GLU 79 Ca -0.11 -0.44 -0.22 0.00 0.36 0.00 0.00 54.97 54.56 1sgo s GLU 79 Cb -0.16 -3.91 -0.01 0.00 0.26 0.00 0.00 34.13 30.31 1sgo s GLU 79 CO 0.06 -0.83 0.70 -1.17 -0.54 0.00 0.00 175.26 173.48 1sgo s LEU 80 N 2.43 4.07 0.33 2.70 2.96 0.38 -0.88 118.68 130.67 1sgo s LEU 80 Ca 0.17 0.79 0.07 0.00 -0.22 0.00 0.00 54.13 54.94 1sgo s LEU 80 Cb -0.16 -2.96 -0.03 0.00 0.50 0.00 0.00 46.19 43.54 1sgo s LEU 80 CO 0.15 -0.43 0.27 0.42 -1.32 0.00 0.00 176.35 175.44 1sgo s THR 81 N 2.63 0.02 0.30 3.68 -4.23 0.19 -1.78 115.64 116.46 1sgo s THR 81 Ca 0.29 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1sgo s THR 81 Cb -0.15 -2.49 0.18 0.00 1.34 0.00 0.00 72.50 71.37 1sgo s THR 81 CO 0.08 0.00 1.87 -0.08 -0.54 0.00 0.00 174.62 175.95 1sgo h GLU 82 N 2.14 0.81 0.00 3.99 4.22 -1.97 -2.26 114.58 121.52 1sgo h GLU 82 Ca -0.26 -0.14 -0.02 0.00 0.08 0.00 0.00 59.36 59.03 1sgo h GLU 82 Cb 1.23 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1sgo h GLU 82 CO 0.38 0.69 -0.09 0.00 -2.18 0.00 0.00 179.01 177.81 1sgo h ALA 83 N 1.41 1.11 0.00 2.92 0.00 -1.96 -3.49 119.26 119.26 1sgo h ALA 83 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1sgo h ALA 83 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1sgo h ALA 83 CO -0.01 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.77 1sgo n GLY 84 N -0.36 0.62 3.37 0.00 0.00 -0.85 -4.71 105.19 103.25 1sgo n GLY 84 Ca -0.01 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 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 3.02 -0.17 0.99 1.02 0.22 -0.63 118.68 123.12 1sgo s LEU 85 Ca 0.00 -0.31 -0.03 0.00 0.02 0.00 0.00 54.13 53.81 1sgo s LEU 85 Cb 0.00 -1.76 -0.02 0.00 0.02 0.00 0.00 46.19 44.43 1sgo s LEU 85 CO 0.00 0.03 -0.07 -0.75 0.02 0.00 0.00 176.35 175.58 1sgo s LYS 86 N 1.21 3.48 -0.49 1.70 2.20 -0.06 0.04 119.74 127.82 1sgo s LYS 86 Ca 0.03 -0.61 -0.28 0.00 -0.36 0.00 0.00 55.97 54.75 1sgo s LYS 86 Cb -0.14 -2.86 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 1sgo s LYS 86 CO -0.00 0.08 1.53 0.08 -0.36 0.00 0.00 175.35 176.67 1sgo s VAL 87 N 0.75 3.72 -2.66 4.02 1.01 -1.26 -0.24 120.40 125.75 1sgo s VAL 87 Ca -0.03 0.66 0.22 0.00 0.00 0.00 0.00 61.98 62.83 1sgo s VAL 87 Cb -0.15 -4.19 0.20 0.00 0.00 0.00 0.00 36.38 32.24 1sgo s VAL 87 CO 0.02 -0.90 1.20 1.33 0.00 0.00 0.00 175.10 176.75 1sgo n VAL 88 N 7.06 0.06 -0.74 2.92 0.24 -0.61 -4.63 118.33 122.62 1sgo n VAL 88 Ca 0.16 -0.53 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 1sgo n VAL 88 Cb 0.49 1.40 0.00 0.00 -1.47 0.00 0.00 33.84 34.26 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 1.23 -2.41 2.49 7.63 0.00 -1.20 -0.36 105.19 112.57 1sgo n GLY 89 Ca 0.13 -1.26 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 1sgo n GLY 89 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1sgo n TYR 90 N 0.78 1.94 -3.99 1.61 0.18 -1.26 -0.66 117.16 115.75 1sgo n TYR 90 Ca 0.00 -2.23 -0.09 0.00 1.88 0.00 0.00 57.90 57.46 1sgo n TYR 90 Cb 0.00 -0.28 -0.05 0.00 -0.38 0.00 0.00 39.34 38.63 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 -3.69 -0.29 0.47 -3.48 0.00 -1.26 -4.44 121.76 109.08 1sgo s ALA 91 Ca 0.37 -0.85 -0.23 0.00 0.00 0.00 0.00 51.96 51.25 1sgo s ALA 91 Cb 0.37 1.05 -0.07 0.00 0.00 0.00 0.00 23.12 24.47 1sgo s ALA 91 CO -0.01 -0.87 1.18 -0.06 0.00 0.00 0.00 175.76 176.01 1sgo s PHE 92 N -3.97 2.80 -0.98 0.00 0.08 -1.26 -3.29 117.98 111.37 1sgo s PHE 92 Ca 0.22 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.79 1sgo s PHE 92 Cb -0.01 -3.42 0.00 0.00 -0.57 0.00 0.00 43.02 39.02 1sgo s PHE 92 CO 0.09 -1.66 0.00 -0.40 -0.10 0.00 0.00 175.22 173.15 1sgo n ASP 93 N -0.59 -3.03 -4.41 1.36 5.68 -1.26 -4.90 116.55 109.40 1sgo n ASP 93 Ca 0.08 0.25 -0.40 0.00 -0.50 0.00 0.00 54.79 54.22 1sgo n ASP 93 Cb 0.48 -2.76 -0.11 0.00 -1.14 0.00 0.00 41.12 37.59 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 -3.92 3.04 -0.30 0.11 0.74 -1.21 -5.03 119.66 113.10 1sgo s GLN 94 Ca 0.00 -0.94 0.01 0.00 0.05 0.00 0.00 55.36 54.48 1sgo s GLN 94 Cb 0.00 -3.71 0.09 0.00 1.10 0.00 0.00 33.01 30.49 1sgo s GLN 94 CO 0.00 -0.60 0.05 0.08 -0.55 0.00 0.00 175.29 174.27 1sgo s VAL 95 N 1.60 1.40 -0.14 1.34 1.01 -1.25 -3.90 120.40 120.46 1sgo s VAL 95 Ca 0.03 -1.61 0.01 0.00 0.00 0.00 0.00 61.98 60.42 1sgo s VAL 95 Cb -0.18 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.25 1sgo s VAL 95 CO 0.07 -0.52 -0.16 -0.62 0.00 0.00 0.00 175.10 173.87 1sgo s ASP 96 N 1.37 2.70 -0.09 3.32 2.15 0.52 -4.99 116.67 121.65 1sgo s ASP 96 Ca 0.07 -0.50 0.09 0.00 0.43 0.00 0.00 52.55 52.64 1sgo s ASP 96 Cb -0.18 -1.21 0.42 0.00 -0.30 0.00 0.00 42.92 41.64 1sgo s ASP 96 CO -0.16 -0.02 1.22 0.47 -0.17 0.00 0.00 175.17 176.51 1sgo n ASP 97 N 4.52 3.12 0.10 -0.34 8.00 -1.26 -3.21 116.55 127.47 1sgo n ASP 97 Ca -0.18 -2.34 -0.03 0.00 0.71 0.00 0.00 54.79 52.95 1sgo n ASP 97 Cb 0.51 -0.50 -0.02 0.00 -0.02 0.00 0.00 41.12 41.09 1sgo n ASP 97 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 1sgo h HIS 98 N 2.22 0.00 -2.73 1.24 3.86 -1.95 -3.42 115.15 114.38 1sgo h HIS 98 Ca 0.00 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.65 1sgo h HIS 98 Cb 1.06 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.51 1sgo h HIS 98 CO 0.49 0.78 1.06 -0.51 0.86 0.00 0.00 177.93 180.61 1sgo s LEU 99 N -6.73 4.15 -0.23 2.43 1.02 -1.20 -4.88 118.68 113.24 1sgo s LEU 99 Ca 0.02 1.91 0.03 0.00 0.02 0.00 0.00 54.13 56.11 1sgo s LEU 99 Cb 0.10 -3.53 0.37 0.00 0.02 0.00 0.00 46.19 43.14 1sgo s LEU 99 CO 0.78 -0.99 1.47 1.67 0.02 0.00 0.00 176.35 179.30 1sgo n GLN 100 N 7.18 1.82 -2.21 1.70 -0.06 -1.26 -4.92 117.38 119.62 1sgo n GLN 100 Ca 0.17 -1.65 -0.43 0.00 -2.00 0.00 0.00 57.00 53.10 1sgo n GLN 100 Cb 0.44 -1.67 -0.02 0.00 -4.06 0.00 0.00 30.24 24.93 1sgo n GLN 100 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 1sgo s THR 101 N -1.81 3.89 0.74 1.69 -4.23 -1.26 -5.00 115.64 109.65 1sgo s THR 101 Ca 0.31 1.04 -0.11 0.00 -1.18 0.00 0.00 61.69 61.75 1sgo s THR 101 Cb 0.26 -3.79 0.03 0.00 1.34 0.00 0.00 72.50 70.34 1sgo s THR 101 CO 0.06 -0.22 1.07 -2.84 -0.54 0.00 0.00 174.62 172.16 1sgo s PRO 102 N 4.14 2.59 0.31 3.99 0.02 -1.26 -4.43 135.00 140.35 1sgo s PRO 102 Ca 0.65 1.02 -0.24 0.00 0.02 0.00 0.00 61.00 62.46 1sgo s PRO 102 Cb -0.25 -1.95 -0.10 0.00 0.02 0.00 0.00 34.50 32.23 1sgo s PRO 102 CO 0.24 -1.37 0.89 1.52 -0.33 0.00 0.00 177.00 177.96 1sgo s TYR 103 N -2.99 3.65 0.21 6.54 -0.85 -1.26 -4.42 117.35 118.23 1sgo s TYR 103 Ca 0.59 1.67 0.04 0.00 -0.52 0.00 0.00 57.07 58.85 1sgo s TYR 103 Cb -0.15 -2.84 -0.03 0.00 0.38 0.00 0.00 41.96 39.32 1sgo s TYR 103 CO 0.55 0.22 0.35 -1.01 -1.52 0.00 0.00 175.55 174.14 1sgo s HIS 104 N -1.64 3.47 0.01 -3.49 3.76 0.11 -4.81 115.29 112.70 1sgo s HIS 104 Ca 0.49 0.07 -0.07 0.00 -0.15 0.00 0.00 55.06 55.41 1sgo s HIS 104 Cb -0.17 -1.64 -0.04 0.00 1.11 0.00 0.00 32.58 31.84 1sgo s HIS 104 CO 0.22 0.44 0.99 1.49 -0.85 0.00 0.00 174.74 177.03 1sgo h GLU 105 N 1.51 -0.24 -6.01 1.40 4.81 -1.87 0.64 114.58 114.82 1sgo h GLU 105 Ca -0.50 0.02 -0.55 0.00 -0.13 0.00 0.00 59.36 58.19 1sgo h GLU 105 Cb 1.22 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 30.57 1sgo h GLU 105 CO 0.64 -0.16 -0.52 0.95 -0.73 0.00 0.00 179.01 179.19 1sgo s THR 106 N -3.33 2.65 0.16 0.32 -4.23 -1.26 -4.34 115.64 105.60 1sgo s THR 106 Ca -0.04 -1.70 0.25 0.00 -1.18 0.00 0.00 61.69 59.02 1sgo s THR 106 Cb 0.00 -2.97 0.24 0.00 1.34 0.00 0.00 72.50 71.12 1sgo s THR 106 CO 0.11 -0.09 1.85 1.62 -0.54 0.00 0.00 174.62 177.56 1sgo h VAL 107 N 1.49 0.54 0.10 2.29 3.04 -1.99 -2.81 116.25 118.92 1sgo h VAL 107 Ca -0.43 -1.06 -0.01 0.00 -1.01 0.00 0.00 66.70 64.20 1sgo h VAL 107 Cb 1.25 1.73 0.00 0.00 -2.01 0.00 0.00 31.29 32.26 1sgo h VAL 107 CO 0.66 0.21 -0.05 1.88 -1.01 0.00 0.00 177.57 179.26 1sgo h TYR 108 N 0.00 -0.13 0.00 3.17 0.05 -1.98 0.16 116.97 118.24 1sgo h TYR 108 Ca -0.00 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1sgo h TYR 108 Cb 0.71 0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.49 1sgo h TYR 108 CO 0.00 0.31 0.00 0.43 -1.05 0.00 0.00 178.16 177.85 1sgo n SER 109 N -4.93 0.00 -0.09 3.88 7.64 -1.21 -2.07 113.62 116.83 1sgo n SER 109 Ca -0.09 0.41 -0.12 0.00 1.01 0.00 0.00 58.87 60.08 1sgo n SER 109 Cb 0.25 -0.46 -0.05 0.00 -1.01 0.00 0.00 64.21 62.95 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 -1.46 1.89 0.30 -3.43 7.94 -1.06 -4.40 117.00 116.79 1sgo n LEU 110 Ca 0.04 0.44 0.18 0.00 -1.11 0.00 0.00 56.01 55.56 1sgo n LEU 110 Cb 0.15 -0.82 0.95 0.00 0.53 0.00 0.00 43.42 44.23 1sgo n LEU 110 CO 0.12 -0.14 1.09 0.25 -1.11 0.00 0.00 177.39 177.60 1sgo h LEU 111 N -1.00 0.00 -0.92 -1.96 5.85 -0.70 -1.11 115.31 115.48 1sgo h LEU 111 Ca -0.15 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.69 1sgo h LEU 111 Cb 0.97 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.92 1sgo h LEU 111 CO -0.09 0.03 0.55 -0.78 -0.34 0.00 0.00 178.44 177.81 1sgo h ASP 112 N 0.00 0.78 0.12 1.25 3.58 -1.62 -1.39 116.42 119.13 1sgo h ASP 112 Ca -0.00 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1sgo h ASP 112 Cb 0.15 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1sgo h ASP 112 CO 0.00 0.41 -0.38 1.07 -2.88 0.00 0.00 179.24 177.47 1sgo n THR 113 N -4.70 0.00 -0.01 2.25 5.66 -0.44 -4.21 114.28 112.83 1sgo n THR 113 Ca 0.17 -0.18 -0.17 0.00 -3.05 0.00 0.00 64.05 60.81 1sgo n THR 113 Cb 0.34 0.80 -0.14 0.00 -1.55 0.00 0.00 70.33 69.78 1sgo n THR 113 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1sgo n LEU 114 N -0.39 2.07 -3.70 1.09 4.77 -0.61 -4.93 117.00 115.30 1sgo n LEU 114 Ca 0.11 0.26 -0.12 0.00 -0.03 0.00 0.00 56.01 56.23 1sgo n LEU 114 Cb 0.40 -0.69 -0.12 0.00 -2.33 0.00 0.00 43.42 40.68 1sgo n LEU 114 CO 0.27 0.71 -0.05 -0.55 -1.33 0.00 0.00 177.39 176.45 1sgo s SER 115 N -6.71 -0.29 0.49 -1.43 0.15 -0.67 -5.01 113.70 100.24 1sgo s SER 115 Ca -0.17 0.69 0.32 0.00 0.70 0.00 0.00 55.95 57.49 1sgo s SER 115 Cb 0.07 0.62 1.42 0.00 -1.71 0.00 0.00 66.02 66.42 1sgo s SER 115 CO 0.78 -0.19 1.96 1.55 1.20 0.00 0.00 173.24 178.55 1sgo h PRO 116 N 7.35 0.00 0.00 5.44 0.13 -1.85 -2.73 132.00 140.33 1sgo h PRO 116 Ca -0.35 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.76 1sgo h PRO 116 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1sgo h PRO 116 CO 0.31 0.00 -0.11 0.00 -0.23 0.00 0.00 178.00 177.97 1sgo h ALA 117 N 2.06 1.00 -0.80 -0.56 0.00 -1.94 -2.36 119.26 116.67 1sgo h ALA 117 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1sgo h ALA 117 Cb 0.39 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1sgo h ALA 117 CO 0.00 0.14 0.42 -0.92 0.00 0.00 0.00 179.25 178.88 1sgo h TYR 118 N 0.00 1.10 0.00 0.00 3.20 -1.59 -1.65 116.97 118.03 1sgo h TYR 118 Ca -0.00 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.80 1sgo h TYR 118 Cb 0.67 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 1sgo h TYR 118 CO 0.00 0.77 -0.19 0.00 -1.64 0.00 0.00 178.16 177.10 1sgo h ARG 119 N 1.12 0.00 0.10 1.82 3.08 -1.59 -0.55 114.38 118.36 1sgo h ARG 119 Ca 0.28 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.32 1sgo h ARG 119 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1sgo h ARG 119 CO -0.04 0.19 -0.05 1.49 -1.07 0.00 0.00 179.97 180.49 1sgo h GLU 120 N 0.00 -0.13 -0.51 0.04 4.57 -1.39 -3.10 114.58 114.06 1sgo h GLU 120 Ca -0.00 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1sgo h GLU 120 Cb 0.57 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.16 1sgo h GLU 120 CO 0.02 0.26 0.21 0.00 -1.18 0.00 0.00 179.01 178.33 1sgo h ALA 121 N -0.55 1.43 -0.04 2.92 0.00 -1.19 -0.62 119.26 121.21 1sgo h ALA 121 Ca -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1sgo h ALA 121 Cb 0.45 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1sgo h ALA 121 CO 0.02 0.44 0.02 0.35 0.00 0.00 0.00 179.25 180.09 1sgo h PHE 122 N 0.72 0.06 0.00 0.00 3.57 -1.23 -2.21 116.94 117.84 1sgo h PHE 122 Ca 0.18 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 1sgo h PHE 122 Cb 0.12 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1sgo h PHE 122 CO 0.01 0.12 -0.29 0.78 -2.23 0.00 0.00 178.31 176.69 1sgo h GLY 123 N -0.02 0.00 1.05 2.40 0.00 -1.36 -2.60 103.07 102.54 1sgo h GLY 123 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 1sgo h GLY 123 CO -0.00 0.00 0.27 -0.57 0.00 0.00 0.00 176.54 176.24 1sgo h ASN 124 N 0.00 1.08 -0.57 0.19 -0.00 -0.76 -2.52 115.58 113.00 1sgo h ASN 124 Ca -0.00 -0.19 -0.01 0.00 -0.00 0.00 0.00 56.30 56.10 1sgo h ASN 124 Cb 0.54 -0.28 -0.03 0.00 -0.00 0.00 0.00 38.32 38.55 1sgo h ASN 124 CO 0.04 0.98 0.33 0.00 -0.00 0.00 0.00 177.43 178.78 1sgo h ALA 125 N 1.14 1.46 -0.08 1.57 0.00 -1.01 -1.29 119.26 121.06 1sgo h ALA 125 Ca 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1sgo h ALA 125 Cb 0.26 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1sgo h ALA 125 CO -0.01 0.45 0.02 -0.07 0.00 0.00 0.00 179.25 179.64 1sgo h LEU 126 N 0.82 0.11 -1.08 0.00 4.07 -1.41 -1.90 115.31 115.92 1sgo h LEU 126 Ca 0.21 -0.20 -0.07 0.00 0.08 0.00 0.00 57.88 57.90 1sgo h LEU 126 Cb 0.01 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 1sgo h LEU 126 CO -0.04 0.28 -0.33 0.17 -1.08 0.00 0.00 178.44 177.45 1sgo h LEU 127 N -0.06 0.00 -0.07 1.67 8.10 -1.25 -2.28 115.31 121.42 1sgo h LEU 127 Ca 0.02 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.99 1sgo h LEU 127 Cb 0.21 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.43 1sgo h LEU 127 CO -0.00 0.33 -0.07 -0.61 -4.11 0.00 0.00 178.44 173.98 1sgo h GLN 128 N 0.00 0.16 0.00 0.17 5.75 -1.10 -3.08 115.11 117.01 1sgo h GLN 128 Ca -0.00 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 1sgo h GLN 128 Cb 0.80 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.36 1sgo h GLN 128 CO 0.04 0.61 0.00 0.00 -2.65 0.00 0.00 178.83 176.83 1sgo h ARG 129 N -0.27 0.00 0.00 1.69 3.08 -1.18 -2.55 114.38 115.15 1sgo h ARG 129 Ca 0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1sgo h ARG 129 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1sgo h ARG 129 CO 0.02 0.00 -0.21 1.25 -1.07 0.00 0.00 179.97 179.96 1sgo h LEU 130 N 0.00 0.00 -0.88 3.04 5.85 -1.32 -1.78 115.31 120.21 1sgo h LEU 130 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1sgo h LEU 130 Cb 0.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1sgo h LEU 130 CO 0.00 0.21 0.00 -0.33 -0.34 0.00 0.00 178.44 177.98 1sgo h GLU 131 N 0.00 0.00 0.00 1.25 5.08 -1.56 -2.30 114.58 117.05 1sgo h GLU 131 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1sgo h GLU 131 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1sgo h GLU 131 CO 0.03 0.00 -0.17 0.00 -1.00 0.00 0.00 179.01 177.87 1sgo h ALA 132 N 2.14 1.23 0.00 3.43 0.00 -1.48 0.15 119.26 124.72 1sgo h ALA 132 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1sgo h ALA 132 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1sgo h ALA 132 CO 0.00 0.21 -0.31 1.28 0.00 0.00 0.00 179.25 180.44 1sgo n LEU 133 N -3.63 0.49 -0.05 0.00 4.32 -0.87 -2.55 117.00 114.72 1sgo n LEU 133 Ca -0.01 0.31 -0.20 0.00 -0.02 0.00 0.00 56.01 56.08 1sgo n LEU 133 Cb 0.30 -0.31 -0.13 0.00 -1.62 0.00 0.00 43.42 41.66 1sgo n LEU 133 CO 0.32 -0.02 -1.01 0.29 -1.22 0.00 0.00 177.39 175.75 1sgo n LYS 134 N -1.82 0.71 -0.41 3.23 5.02 -0.49 -4.28 118.16 120.12 1sgo n LYS 134 Ca 0.05 0.23 0.05 0.00 -2.02 0.00 0.00 58.31 56.62 1sgo n LYS 134 Cb 0.38 -1.64 0.21 0.00 -0.02 0.00 0.00 35.03 33.97 1sgo n LYS 134 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1sgo n ARG 135 N -3.44 2.80 0.04 1.97 1.74 0.41 -4.21 116.66 115.98 1sgo n ARG 135 Ca -0.37 -1.68 0.02 0.00 -0.77 0.00 0.00 57.85 55.05 1sgo n ARG 135 Cb 1.01 -1.74 0.36 0.00 -1.02 0.00 0.00 32.46 31.08 1sgo n ARG 135 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 1sgo h ASP 136 N 2.29 0.39 0.00 0.55 2.03 -1.68 -3.38 116.42 116.63 1sgo h ASP 136 Ca 0.00 -0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.24 1sgo h ASP 136 Cb 1.08 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.48 1sgo h ASP 136 CO 0.19 0.45 0.00 0.61 -1.03 0.00 0.00 179.24 179.45 1sgo n GLY 137 N -1.02 -0.34 3.31 7.15 0.00 -1.26 -5.11 105.19 107.92 1sgo n GLY 137 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1sgo n GLY 137 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sgo s GLN 138 N -0.24 0.92 0.00 1.61 -2.07 -1.26 -5.20 119.66 113.42 1sgo s GLN 138 Ca 0.00 -0.43 0.08 0.00 -1.82 0.00 0.00 55.36 53.19 1sgo s GLN 138 Cb 0.00 0.41 0.06 0.00 -1.09 0.00 0.00 33.01 32.39 1sgo s GLN 138 CO 0.00 -0.32 0.75 0.45 -1.32 0.00 0.00 175.29 174.85