#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgo n GLU 2 N 0.00 0.00 -2.37 0.03 4.71 -1.26 -3.30 120.64 118.45 1sgo n GLU 2 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.73 1sgo n GLU 2 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1sgo n GLU 2 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1sgo n THR 3 N 0.00 3.70 -0.07 2.62 -1.04 -1.26 -4.44 114.28 113.79 1sgo n THR 3 Ca 0.00 -3.74 -0.09 0.00 -2.04 0.00 0.00 64.05 58.18 1sgo n THR 3 Cb 0.00 -2.38 -0.07 0.00 -1.82 0.00 0.00 70.33 66.06 1sgo n THR 3 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1sgo n ASP 4 N 8.36 2.88 -4.60 8.00 2.03 -1.21 -5.02 116.55 126.99 1sgo n ASP 4 Ca 0.49 -0.07 -0.34 0.00 0.52 0.00 0.00 54.79 55.39 1sgo n ASP 4 Cb 0.45 -0.13 -0.11 0.00 -0.72 0.00 0.00 41.12 40.61 1sgo n ASP 4 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sgo s ASN 6 N -0.71 0.96 -0.46 0.00 2.47 -1.26 -5.09 114.94 110.85 1sgo s ASN 6 Ca 0.11 -0.14 -0.26 0.00 0.42 0.00 0.00 52.86 52.98 1sgo s ASN 6 Cb -0.11 -0.30 -0.06 0.00 -1.45 0.00 0.00 41.25 39.32 1sgo s ASN 6 CO 0.02 0.02 2.34 -2.16 -3.72 0.00 0.00 177.10 173.60 1sgo s PRO 7 N 0.37 2.27 0.00 0.43 0.04 -1.26 -4.75 135.00 132.10 1sgo s PRO 7 Ca -0.05 1.43 0.19 0.00 0.04 0.00 0.00 61.00 62.61 1sgo s PRO 7 Cb -0.09 -4.54 0.23 0.00 0.04 0.00 0.00 34.50 30.14 1sgo s PRO 7 CO 0.00 -3.09 1.18 -1.33 0.04 0.00 0.00 177.00 173.80 1sgo n MET 8 N 8.99 1.90 -0.26 4.56 2.81 -1.26 -4.51 117.12 129.35 1sgo n MET 8 Ca 0.35 -1.82 -0.05 0.00 -1.81 0.00 0.00 57.70 54.37 1sgo n MET 8 Cb 0.53 -1.39 0.03 0.00 -0.71 0.00 0.00 33.22 31.69 1sgo n MET 8 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1sgo n GLU 9 N 1.12 1.25 -1.85 0.03 1.02 -1.26 -4.75 120.64 116.19 1sgo n GLU 9 Ca 0.13 -0.60 -0.19 0.00 -0.02 0.00 0.00 57.16 56.48 1sgo n GLU 9 Cb 0.50 -1.23 -0.06 0.00 -0.02 0.00 0.00 31.44 30.63 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 0.20 -1.58 -5.00 -4.62 7.94 -1.26 -4.97 117.00 107.71 1sgo n LEU 10 Ca 0.12 0.30 -0.23 0.00 -1.11 0.00 0.00 56.01 55.09 1sgo n LEU 10 Cb 0.73 -2.71 0.11 0.00 0.53 0.00 0.00 43.42 42.07 1sgo n LEU 10 CO 0.12 -0.72 0.53 -0.55 -1.11 0.00 0.00 177.39 175.66 1sgo s SER 11 N -2.56 4.41 0.03 1.96 0.15 -1.26 -5.13 113.70 111.31 1sgo s SER 11 Ca 0.00 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1sgo s SER 11 Cb 0.00 0.12 -0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1sgo s SER 11 CO 0.00 -1.82 0.03 -0.24 1.20 0.00 0.00 173.24 172.41 1sgo n SER 12 N -2.76 -0.09 -4.59 5.45 2.88 -1.26 -4.94 113.62 108.30 1sgo n SER 12 Ca 0.16 -1.19 -0.42 0.00 -1.33 0.00 0.00 58.87 56.09 1sgo n SER 12 Cb 0.61 0.19 -0.03 0.00 -0.75 0.00 0.00 64.21 64.23 1sgo n SER 12 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1sgo s MET 13 N -2.10 3.06 0.00 -1.46 -1.94 -1.26 -4.80 119.30 110.81 1sgo s MET 13 Ca 0.03 1.68 0.21 0.00 -1.71 0.00 0.00 55.69 55.90 1sgo s MET 13 Cb 0.00 -4.34 0.55 0.00 2.01 0.00 0.00 34.83 33.05 1sgo s MET 13 CO 0.02 -2.18 1.45 0.43 -0.01 0.00 0.00 175.02 174.73 1sgo n SER 14 N 11.71 2.68 -4.23 3.03 7.64 -1.26 -4.75 113.62 128.44 1sgo n SER 14 Ca 0.28 -1.90 -0.20 0.00 1.01 0.00 0.00 58.87 58.05 1sgo n SER 14 Cb 0.47 -0.22 -0.12 0.00 -1.01 0.00 0.00 64.21 63.33 1sgo n SER 14 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1sgo s GLY 15 N -1.40 1.06 -1.20 0.23 0.00 -1.26 -4.85 107.32 99.90 1sgo s GLY 15 Ca 0.36 -1.17 -0.33 0.00 0.00 0.00 0.00 44.72 43.57 1sgo s GLY 15 CO 0.28 -1.20 0.63 1.97 0.00 0.00 0.00 173.10 174.78 1sgo n PHE 16 N 1.01 -1.32 -2.51 1.90 -1.74 -1.26 -4.84 117.46 108.70 1sgo n PHE 16 Ca -0.19 0.06 -0.43 0.00 -0.56 0.00 0.00 57.45 56.33 1sgo n PHE 16 Cb 0.55 -2.68 -0.02 0.00 1.52 0.00 0.00 39.48 38.85 1sgo n PHE 16 CO 0.00 0.00 0.00 -2.00 -0.56 0.00 0.00 176.76 174.20 1sgo s GLU 17 N -7.45 3.70 0.34 3.97 2.12 -1.26 -5.01 118.70 115.11 1sgo s GLU 17 Ca 0.46 0.75 -0.14 0.00 0.36 0.00 0.00 54.97 56.40 1sgo s GLU 17 Cb -0.26 -3.94 -0.09 0.00 0.26 0.00 0.00 34.13 30.10 1sgo s GLU 17 CO 0.95 -1.41 0.75 -1.21 -0.54 0.00 0.00 175.26 173.80 1sgo s GLU 18 N 4.58 3.97 -0.21 4.30 0.41 -1.26 -4.98 118.70 125.50 1sgo s GLU 18 Ca 0.53 0.65 -0.28 0.00 -0.41 0.00 0.00 54.97 55.46 1sgo s GLU 18 Cb -0.10 -2.41 -0.05 0.00 -1.78 0.00 0.00 34.13 29.79 1sgo s GLU 18 CO 0.31 0.11 2.22 0.20 -0.49 0.00 0.00 175.26 177.61 1sgo s GLY 19 N -2.44 0.53 0.16 -1.39 0.00 -1.26 -4.92 107.32 98.00 1sgo s GLY 19 Ca 0.54 0.80 -0.30 0.00 0.00 0.00 0.00 44.72 45.76 1sgo s GLY 19 CO 0.20 3.80 1.07 -0.56 0.00 0.00 0.00 173.10 177.61 1sgo s SER 20 N 8.21 7.31 0.10 1.64 0.01 -1.26 -4.93 113.70 124.79 1sgo s SER 20 Ca 1.00 2.02 0.23 0.00 1.31 0.00 0.00 55.95 60.51 1sgo s SER 20 Cb -0.33 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.32 1sgo s SER 20 CO 0.35 -0.19 1.01 -1.84 0.41 0.00 0.00 173.24 172.98 1sgo n GLU 21 N 2.53 0.44 -2.58 12.44 0.28 -1.26 -4.87 120.64 127.62 1sgo n GLU 21 Ca 0.03 0.03 -0.42 0.00 -0.16 0.00 0.00 57.16 56.64 1sgo n GLU 21 Cb 0.47 -1.68 -0.03 0.00 1.43 0.00 0.00 31.44 31.63 1sgo n GLU 21 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1sgo s LEU 22 N -4.54 4.32 0.23 -1.84 1.02 -1.26 -5.04 118.68 111.57 1sgo s LEU 22 Ca 0.01 1.75 0.06 0.00 0.02 0.00 0.00 54.13 55.97 1sgo s LEU 22 Cb 0.12 -3.57 -0.04 0.00 0.02 0.00 0.00 46.19 42.73 1sgo s LEU 22 CO 0.80 -0.44 0.20 0.20 0.02 0.00 0.00 176.35 177.14 1sgo s ASN 23 N 1.17 5.64 0.33 2.29 0.01 -1.26 -5.10 114.94 118.02 1sgo s ASN 23 Ca 0.54 -0.17 -0.27 0.00 -0.71 0.00 0.00 52.86 52.25 1sgo s ASN 23 Cb -0.23 -1.48 -0.09 0.00 0.41 0.00 0.00 41.25 39.85 1sgo s ASN 23 CO 0.24 -0.02 1.01 -0.83 -1.51 0.00 0.00 177.10 175.99 1sgo s GLY 24 N -3.67 2.87 0.18 0.66 0.00 -1.26 -4.96 107.32 101.14 1sgo s GLY 24 Ca 0.33 0.66 -0.13 0.00 0.00 0.00 0.00 44.72 45.57 1sgo s GLY 24 CO 0.25 1.14 1.82 0.74 0.00 0.00 0.00 173.10 177.06 1sgo h PHE 25 N 3.20 0.76 -0.83 1.90 0.04 -1.99 -3.29 116.94 116.73 1sgo h PHE 25 Ca -0.47 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 59.84 1sgo h PHE 25 Cb 1.20 -0.25 -0.07 0.00 2.20 0.00 0.00 35.95 39.03 1sgo h PHE 25 CO 0.60 0.51 1.29 -1.21 -0.60 0.00 0.00 178.31 178.90 1sgo s GLU 26 N -6.03 3.13 0.00 1.51 8.01 -1.26 -2.93 118.70 121.14 1sgo s GLU 26 Ca -0.13 -1.00 0.00 0.00 0.01 0.00 0.00 54.97 53.85 1sgo s GLU 26 Cb 0.13 -5.27 0.00 0.00 -4.31 0.00 0.00 34.13 24.68 1sgo s GLU 26 CO 0.76 -2.91 0.00 0.41 0.01 0.00 0.00 175.26 173.53 1sgo n GLY 27 N 6.45 1.37 3.44 -1.39 0.00 -1.24 -5.03 105.19 108.78 1sgo n GLY 27 Ca 0.40 -0.10 -0.44 0.00 0.00 0.00 0.00 46.02 45.88 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 5.20 0.06 2.61 2.01 -1.15 -4.81 115.64 119.56 1sgo s THR 28 Ca 0.00 -2.68 -0.15 0.00 0.31 0.00 0.00 61.69 59.18 1sgo s THR 28 Cb 0.00 -4.83 -0.27 0.00 0.01 0.00 0.00 72.50 67.41 1sgo s THR 28 CO 0.00 -1.51 1.14 -2.24 -0.69 0.00 0.00 174.62 171.31 1sgo h ASP 29 N 7.24 0.90 -4.69 3.53 2.03 -1.95 -3.46 116.42 120.02 1sgo h ASP 29 Ca 0.27 -0.79 -0.29 0.00 -0.73 0.00 0.00 57.03 55.49 1sgo h ASP 29 Cb 0.89 -0.28 -0.20 0.00 -0.83 0.00 0.00 39.33 38.91 1sgo h ASP 29 CO 1.18 1.59 -0.74 -0.32 -1.03 0.00 0.00 179.24 179.92 1sgo s MET 30 N -3.12 0.62 -0.49 4.15 0.00 -1.26 -5.11 119.30 114.08 1sgo s MET 30 Ca -0.10 -0.87 -0.02 0.00 0.00 0.00 0.00 55.69 54.71 1sgo s MET 30 Cb 0.06 -0.37 0.13 0.00 0.00 0.00 0.00 34.83 34.65 1sgo s MET 30 CO 0.93 0.06 0.29 0.21 0.00 0.00 0.00 175.02 176.51 1sgo s LYS 31 N -1.90 2.19 -0.29 4.11 2.20 -1.26 -5.05 119.74 119.73 1sgo s LYS 31 Ca -0.06 -2.14 -0.27 0.00 -0.36 0.00 0.00 55.97 53.14 1sgo s LYS 31 Cb -0.08 -3.61 -0.06 0.00 -1.51 0.00 0.00 37.83 32.58 1sgo s LYS 31 CO 0.00 -1.11 2.28 -0.25 -0.36 0.00 0.00 175.35 175.92 1sgo n ASP 32 N 4.07 3.00 0.25 1.43 9.92 -1.26 -4.47 116.55 129.48 1sgo n ASP 32 Ca 0.02 -0.00 0.17 0.00 -0.53 0.00 0.00 54.79 54.45 1sgo n ASP 32 Cb 0.39 -1.57 0.77 0.00 -0.64 0.00 0.00 41.12 40.08 1sgo n ASP 32 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 1sgo h MET 33 N 16.39 0.00 0.00 -1.24 4.05 -1.79 -2.51 114.93 129.83 1sgo h MET 33 Ca -0.36 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 58.99 1sgo h MET 33 Cb 1.25 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.04 1sgo h MET 33 CO 1.01 0.00 -0.33 0.00 0.23 0.00 0.00 176.91 177.83 1sgo h ARG 34 N 0.00 0.00 -0.12 0.39 3.08 -1.87 0.15 114.38 116.01 1sgo h ARG 34 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1sgo h ARG 34 Cb 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 1sgo h ARG 34 CO 0.00 0.33 -0.16 -0.07 -1.07 0.00 0.00 179.97 179.00 1sgo h LEU 35 N 0.00 0.34 -1.54 3.04 3.38 -1.85 -1.18 115.31 117.51 1sgo h LEU 35 Ca -0.00 -0.51 0.03 0.00 0.09 0.00 0.00 57.88 57.49 1sgo h LEU 35 Cb 0.67 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1sgo h LEU 35 CO 0.04 0.79 0.35 -0.33 0.09 0.00 0.00 178.44 179.38 1sgo h GLU 36 N -0.10 0.59 0.24 1.13 4.39 -1.57 -1.74 114.58 117.53 1sgo h GLU 36 Ca 0.01 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1sgo h GLU 36 Cb 0.71 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1sgo h GLU 36 CO 0.04 0.39 -0.12 0.00 -1.16 0.00 0.00 179.01 178.16 1sgo h ALA 37 N 1.69 -0.33 -0.03 3.43 0.00 -0.34 -1.74 119.26 121.95 1sgo h ALA 37 Ca 0.21 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1sgo h ALA 37 Cb 0.09 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1sgo h ALA 37 CO -0.05 -0.51 -0.30 0.93 0.00 0.00 0.00 179.25 179.32 1sgo h GLU 38 N -0.68 0.05 -0.27 0.00 5.08 -1.12 -1.29 114.58 116.36 1sgo h GLU 38 Ca -0.03 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1sgo h GLU 38 Cb 0.47 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1sgo h GLU 38 CO 0.06 0.35 0.13 0.00 -1.00 0.00 0.00 179.01 178.54 1sgo h ALA 39 N 1.65 0.35 -0.43 3.43 0.00 -1.23 -2.48 119.26 120.56 1sgo h ALA 39 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1sgo h ALA 39 Cb 0.56 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1sgo h ALA 39 CO 0.04 -0.09 0.27 0.28 0.00 0.00 0.00 179.25 179.76 1sgo h VAL 40 N 0.30 1.12 0.15 0.00 2.07 -0.77 -2.39 116.25 116.73 1sgo h VAL 40 Ca 0.09 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.39 1sgo h VAL 40 Cb 0.13 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1sgo h VAL 40 CO -0.01 0.12 -0.41 0.58 0.02 0.00 0.00 177.57 177.86 1sgo h VAL 41 N 0.57 0.17 0.00 2.57 2.07 -1.07 -2.12 116.25 118.44 1sgo h VAL 41 Ca 0.15 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.59 1sgo h VAL 41 Cb -0.04 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1sgo h VAL 41 CO -0.03 0.00 -0.41 -1.13 0.02 0.00 0.00 177.57 176.02 1sgo h ASN 42 N -0.67 0.00 -0.01 0.57 -0.73 -1.45 -2.25 115.58 111.05 1sgo h ASN 42 Ca 0.02 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.17 1sgo h ASN 42 Cb 0.68 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.27 1sgo h ASN 42 CO -0.22 0.41 -0.07 -0.78 -0.37 0.00 0.00 177.43 176.40 1sgo h ASP 43 N 0.00 0.08 -0.11 1.15 3.58 -1.04 -3.36 116.42 116.72 1sgo h ASP 43 Ca -0.00 -0.69 0.00 0.00 0.42 0.00 0.00 57.03 56.75 1sgo h ASP 43 Cb 0.84 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.87 1sgo h ASP 43 CO 0.05 0.76 0.00 1.33 -2.88 0.00 0.00 179.24 178.50 1sgo n VAL 44 N -4.69 2.01 0.08 2.25 0.24 -0.83 -4.64 118.33 112.75 1sgo n VAL 44 Ca -0.09 -2.07 0.05 0.00 -2.04 0.00 0.00 64.34 60.19 1sgo n VAL 44 Cb 0.38 -0.22 0.48 0.00 -1.47 0.00 0.00 33.84 33.01 1sgo n VAL 44 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1sgo h LEU 45 N 0.73 0.32 -0.40 1.34 6.46 -1.56 -1.95 115.31 120.26 1sgo h LEU 45 Ca 0.00 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1sgo h LEU 45 Cb 1.16 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.01 1sgo h LEU 45 CO 0.09 0.25 0.00 0.33 -0.62 0.00 0.00 178.44 178.49 1sgo n PHE 46 N -4.48 0.30 0.96 1.25 7.35 -1.26 -1.21 117.46 120.37 1sgo n PHE 46 Ca 0.01 0.13 0.13 0.00 -0.76 0.00 0.00 57.45 56.96 1sgo n PHE 46 Cb 0.09 -0.72 0.37 0.00 0.35 0.00 0.00 39.48 39.57 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 -1.61 3.07 -3.23 3.13 0.00 -0.73 -4.83 120.51 116.31 1sgo n ALA 47 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1sgo n ALA 47 Cb 0.11 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.56 0.00 -0.04 0.00 0.24 -0.35 -4.52 118.33 112.11 1sgo n VAL 48 Ca 0.06 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.18 1sgo n VAL 48 Cb 0.35 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.58 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 0.00 0.16 -4.96 -1.34 2.35 -1.03 -3.44 115.58 107.33 1sgo h ASN 49 Ca 0.00 -0.91 -0.03 0.00 -0.55 0.00 0.00 56.30 54.81 1sgo h ASN 49 Cb 0.00 -0.05 -0.16 0.00 0.05 0.00 0.00 38.32 38.16 1sgo h ASN 49 CO 0.00 1.23 0.22 0.21 -1.65 0.00 0.00 177.43 177.45 1sgo s ASN 50 N -6.58 -0.60 -0.18 5.81 3.84 -1.17 -5.01 114.94 111.04 1sgo s ASN 50 Ca -0.19 0.36 -0.16 0.00 0.21 0.00 0.00 52.86 53.08 1sgo s ASN 50 Cb -0.00 0.55 0.05 0.00 -0.55 0.00 0.00 41.25 41.30 1sgo s ASN 50 CO 0.72 -0.76 0.47 -0.32 -2.79 0.00 0.00 177.10 174.42 1sgo s MET 51 N -2.40 0.54 -0.02 0.43 -2.45 -1.26 -0.67 119.30 113.48 1sgo s MET 51 Ca -0.05 0.67 -0.27 0.00 -1.25 0.00 0.00 55.69 54.79 1sgo s MET 51 Cb -0.00 0.25 0.06 0.00 1.25 0.00 0.00 34.83 36.38 1sgo s MET 51 CO -0.01 -0.07 0.60 -0.59 1.05 0.00 0.00 175.02 175.99 1sgo s PHE 52 N 0.34 -0.55 0.30 4.11 -0.71 -0.41 -4.97 117.98 116.09 1sgo s PHE 52 Ca -0.01 0.85 -0.28 0.00 -1.04 0.00 0.00 56.93 56.46 1sgo s PHE 52 Cb -0.04 0.36 -0.09 0.00 -1.21 0.00 0.00 43.02 42.04 1sgo s PHE 52 CO -0.00 -0.60 1.02 0.54 -1.34 0.00 0.00 175.22 174.84 1sgo s VAL 53 N -1.56 3.80 -0.19 -2.49 0.11 -1.26 -0.19 120.40 118.61 1sgo s VAL 53 Ca -0.10 1.66 -0.28 0.00 -2.93 0.00 0.00 61.98 60.33 1sgo s VAL 53 Cb -0.01 -4.00 -0.00 0.00 -1.53 0.00 0.00 36.38 30.84 1sgo s VAL 53 CO 0.06 0.29 0.99 -0.44 -3.33 0.00 0.00 175.10 172.67 1sgo s SER 54 N -1.21 7.11 -0.14 3.54 0.01 -0.69 -4.85 113.70 117.47 1sgo s SER 54 Ca 0.47 1.38 0.16 0.00 1.31 0.00 0.00 55.95 59.27 1sgo s SER 54 Cb -0.26 -2.53 0.42 0.00 0.21 0.00 0.00 66.02 63.86 1sgo s SER 54 CO 0.33 -0.56 1.32 0.29 0.41 0.00 0.00 173.24 175.03 1sgo n LYS 55 N 5.78 2.49 -0.34 12.44 5.02 -1.26 -4.47 118.16 137.82 1sgo n LYS 55 Ca 0.10 -2.64 0.02 0.00 -2.02 0.00 0.00 58.31 53.77 1sgo n LYS 55 Cb 0.47 -1.66 0.03 0.00 -0.02 0.00 0.00 35.03 33.85 1sgo n LYS 55 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1sgo n SER 56 N -0.66 0.53 0.00 4.39 7.64 -1.26 -4.92 113.62 119.34 1sgo n SER 56 Ca 0.18 -2.10 0.00 0.00 1.01 0.00 0.00 58.87 57.96 1sgo n SER 56 Cb 0.75 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1sgo n SER 56 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1sgo n LEU 57 N -0.30 0.00 0.00 -3.43 7.94 -1.26 -5.07 117.00 114.88 1sgo n LEU 57 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 1sgo n LEU 57 Cb 0.65 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.60 1sgo n LEU 57 CO 0.00 0.00 0.00 -2.11 -1.11 0.00 0.00 177.39 174.17 1sgo n ARG 58 N -0.60 0.00 -3.21 1.96 0.00 -1.26 -5.12 116.66 108.43 1sgo n ARG 58 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.65 1sgo n ARG 58 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 32.46 32.39 1sgo n ARG 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1sgo s ALA 60 N 0.32 3.11 0.25 0.00 0.00 -1.10 -4.91 121.76 119.43 1sgo s ALA 60 Ca 0.32 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1sgo s ALA 60 Cb 0.02 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1sgo s ALA 60 CO -0.15 -2.64 0.51 -0.25 0.00 0.00 0.00 175.76 173.22 1sgo n ASP 61 N 7.71 0.00 0.26 0.00 8.00 -1.26 0.13 116.55 131.39 1sgo n ASP 61 Ca -0.01 0.19 0.12 0.00 0.71 0.00 0.00 54.79 55.79 1sgo n ASP 61 Cb 0.46 0.00 0.70 0.00 -0.02 0.00 0.00 41.12 42.26 1sgo n ASP 61 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1sgo h ASP 62 N 0.00 0.00 -4.01 -2.24 1.82 -1.91 -2.51 116.42 107.57 1sgo h ASP 62 Ca 0.00 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.44 1sgo h ASP 62 Cb 1.01 0.00 -0.26 0.00 0.68 0.00 0.00 39.33 40.77 1sgo h ASP 62 CO 0.00 0.13 -0.62 0.54 -1.61 0.00 0.00 179.24 177.67 1sgo s VAL 63 N -4.27 0.02 -0.17 2.25 0.11 0.35 -3.88 120.40 114.82 1sgo s VAL 63 Ca -0.03 -0.17 -0.07 0.00 -2.93 0.00 0.00 61.98 58.78 1sgo s VAL 63 Cb 0.14 -0.16 0.07 0.00 -1.53 0.00 0.00 36.38 34.90 1sgo s VAL 63 CO 0.60 -0.09 0.38 0.00 -3.33 0.00 0.00 175.10 172.66 1sgo s ALA 64 N -0.26 -0.98 0.14 1.54 0.00 -0.23 -2.73 121.76 119.25 1sgo s ALA 64 Ca -0.03 1.38 -0.22 0.00 0.00 0.00 0.00 51.96 53.09 1sgo s ALA 64 Cb -0.02 -1.10 -0.08 0.00 0.00 0.00 0.00 23.12 21.92 1sgo s ALA 64 CO 0.00 -0.55 0.69 0.71 0.00 0.00 0.00 175.76 176.62 1sgo s TYR 65 N 2.11 3.82 -0.07 0.00 1.51 -1.26 -1.15 117.35 122.32 1sgo s TYR 65 Ca -0.04 1.46 0.06 0.00 -1.01 0.00 0.00 57.07 57.53 1sgo s TYR 65 Cb -0.11 -2.64 -0.01 0.00 -0.11 0.00 0.00 41.96 39.09 1sgo s TYR 65 CO -0.12 0.51 -0.25 0.42 -1.11 0.00 0.00 175.55 175.00 1sgo s ILE 66 N -1.21 2.07 -0.48 2.71 1.01 0.61 -1.71 121.20 124.20 1sgo s ILE 66 Ca 0.35 -1.05 -0.18 0.00 0.00 0.00 0.00 60.65 59.77 1sgo s ILE 66 Cb -0.21 -1.75 0.06 0.00 0.01 0.00 0.00 42.46 40.57 1sgo s ILE 66 CO 0.23 0.57 0.53 0.20 0.00 0.00 0.00 174.94 176.46 1sgo s ASN 67 N -0.07 6.20 -0.09 3.58 0.01 0.73 -0.68 114.94 124.63 1sgo s ASN 67 Ca -0.06 -0.98 0.01 0.00 -0.71 0.00 0.00 52.86 51.11 1sgo s ASN 67 Cb -0.15 -2.25 -0.02 0.00 0.41 0.00 0.00 41.25 39.24 1sgo s ASN 67 CO 0.05 -0.77 -0.11 0.54 -1.51 0.00 0.00 177.10 175.30 1sgo s VAL 68 N 2.26 3.27 -0.24 1.60 0.11 -0.99 -1.29 120.40 125.13 1sgo s VAL 68 Ca 0.11 -0.62 -0.01 0.00 -2.93 0.00 0.00 61.98 58.53 1sgo s VAL 68 Cb -0.20 -2.34 0.03 0.00 -1.53 0.00 0.00 36.38 32.34 1sgo s VAL 68 CO 0.11 0.56 -0.08 -0.70 -3.33 0.00 0.00 175.10 171.66 1sgo s GLU 69 N -0.28 2.85 1.18 1.54 2.12 0.16 -0.36 118.70 125.90 1sgo s GLU 69 Ca 0.03 -0.96 -0.14 0.00 0.36 0.00 0.00 54.97 54.25 1sgo s GLU 69 Cb -0.13 -2.93 0.28 0.00 0.26 0.00 0.00 34.13 31.61 1sgo s GLU 69 CO 0.03 -0.38 1.03 0.95 -0.54 0.00 0.00 175.26 176.35 1sgo s THR 70 N 1.32 1.90 -0.45 -1.70 -4.23 0.24 -0.72 115.64 112.00 1sgo s THR 70 Ca 0.01 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 60.74 1sgo s THR 70 Cb -0.16 -2.17 0.24 0.00 1.34 0.00 0.00 72.50 71.75 1sgo s THR 70 CO -0.05 0.00 1.69 0.29 -0.54 0.00 0.00 174.62 176.01 1sgo n LYS 71 N -4.89 0.18 -0.23 3.99 5.02 -1.26 -0.42 118.16 120.56 1sgo n LYS 71 Ca 0.04 0.46 0.09 0.00 -2.02 0.00 0.00 58.31 56.88 1sgo n LYS 71 Cb 0.56 -1.88 0.24 0.00 -0.02 0.00 0.00 35.03 33.93 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 -2.22 2.12 -0.93 1.97 -0.58 -1.26 -4.89 120.64 114.85 1sgo n GLU 72 Ca 0.02 -1.74 0.00 0.00 -0.42 0.00 0.00 57.16 55.02 1sgo n GLU 72 Cb 0.19 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 1sgo n GLU 72 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1sgo n ARG 73 N 0.92 -0.57 -2.56 3.49 1.74 0.44 -4.97 116.66 115.15 1sgo n ARG 73 Ca 0.17 0.14 -0.43 0.00 -0.77 0.00 0.00 57.85 56.96 1sgo n ARG 73 Cb 0.42 -3.68 -0.02 0.00 -1.02 0.00 0.00 32.46 28.16 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 -2.19 7.09 0.06 0.55 2.47 -1.26 -4.74 114.94 116.93 1sgo s ASN 74 Ca 0.00 1.61 -0.06 0.00 0.42 0.00 0.00 52.86 54.83 1sgo s ASN 74 Cb 0.00 -2.55 -0.05 0.00 -1.45 0.00 0.00 41.25 37.20 1sgo s ASN 74 CO 0.00 -0.60 0.32 -0.13 -3.72 0.00 0.00 177.10 172.97 1sgo s ARG 75 N 2.66 3.62 -0.16 0.43 0.52 -1.25 -0.59 118.95 124.18 1sgo s ARG 75 Ca 0.51 -0.05 -0.01 0.00 -0.52 0.00 0.00 55.73 55.66 1sgo s ARG 75 Cb -0.20 -3.00 0.05 0.00 0.52 0.00 0.00 34.95 32.31 1sgo s ARG 75 CO 0.16 0.58 -0.02 0.71 0.02 0.00 0.00 175.30 176.75 1sgo s TYR 76 N -1.42 1.37 -0.51 -0.53 2.02 0.51 -4.16 117.35 114.63 1sgo s TYR 76 Ca 0.33 -0.90 -0.28 0.00 -0.37 0.00 0.00 57.07 55.85 1sgo s TYR 76 Cb -0.13 -1.16 0.03 0.00 -0.40 0.00 0.00 41.96 40.30 1sgo s TYR 76 CO 0.19 -0.58 1.09 0.00 -1.57 0.00 0.00 175.55 174.69 1sgo s LEU 78 N 4.41 4.21 -0.64 0.00 1.43 0.15 -0.79 118.68 127.45 1sgo s LEU 78 Ca 0.43 0.28 -0.19 0.00 -1.03 0.00 0.00 54.13 53.62 1sgo s LEU 78 Cb -0.08 -2.07 0.11 0.00 0.03 0.00 0.00 46.19 44.18 1sgo s LEU 78 CO 0.28 0.25 0.78 -0.70 0.23 0.00 0.00 176.35 177.19 1sgo s GLU 79 N -0.06 3.12 -0.36 1.70 2.12 0.10 -0.28 118.70 125.04 1sgo s GLU 79 Ca 0.10 -1.33 -0.27 0.00 0.36 0.00 0.00 54.97 53.83 1sgo s GLU 79 Cb -0.11 -4.32 0.02 0.00 0.26 0.00 0.00 34.13 29.98 1sgo s GLU 79 CO -0.00 -1.59 0.99 -1.17 -0.54 0.00 0.00 175.26 172.95 1sgo s LEU 80 N 2.79 3.94 0.40 2.70 2.96 -0.30 -1.68 118.68 129.49 1sgo s LEU 80 Ca 0.15 0.72 0.05 0.00 -0.22 0.00 0.00 54.13 54.83 1sgo s LEU 80 Cb -0.21 -3.38 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 1sgo s LEU 80 CO 0.05 -0.90 0.18 0.42 -1.32 0.00 0.00 176.35 174.78 1sgo s THR 81 N 3.62 0.37 -1.08 3.68 -4.23 0.22 -1.07 115.64 117.15 1sgo s THR 81 Ca 0.41 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.10 1sgo s THR 81 Cb -0.12 -2.34 0.18 0.00 1.34 0.00 0.00 72.50 71.57 1sgo s THR 81 CO 0.19 0.00 1.58 -0.62 -0.54 0.00 0.00 174.62 175.22 1sgo n GLU 82 N -0.87 0.05 -0.03 3.99 -0.58 -1.25 -1.82 120.64 120.12 1sgo n GLU 82 Ca -0.03 0.17 0.12 0.00 -0.42 0.00 0.00 57.16 57.01 1sgo n GLU 82 Cb 0.64 -1.50 0.18 0.00 -0.57 0.00 0.00 31.44 30.19 1sgo n GLU 82 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sgo n ALA 83 N -1.46 2.47 0.00 0.62 0.00 -1.26 -5.07 120.51 115.81 1sgo n ALA 83 Ca 0.05 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1sgo n ALA 83 Cb 0.20 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1sgo n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sgo n GLY 84 N 1.34 0.13 3.43 0.00 0.00 -0.76 -4.56 105.19 104.77 1sgo n GLY 84 Ca 0.16 -2.21 -0.34 0.00 0.00 0.00 0.00 46.02 43.62 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 3.08 0.18 0.99 1.02 0.66 -0.61 118.68 124.00 1sgo s LEU 85 Ca 0.00 -0.23 0.09 0.00 0.02 0.00 0.00 54.13 54.01 1sgo s LEU 85 Cb 0.00 -1.75 -0.04 0.00 0.02 0.00 0.00 46.19 44.42 1sgo s LEU 85 CO 0.00 0.11 -0.10 -0.75 0.02 0.00 0.00 176.35 175.63 1sgo s LYS 86 N 0.68 2.04 -0.31 1.70 2.20 -0.68 -1.72 119.74 123.66 1sgo s LYS 86 Ca -0.03 -1.28 -0.10 0.00 -0.36 0.00 0.00 55.97 54.20 1sgo s LYS 86 Cb -0.15 -2.15 -0.01 0.00 -1.51 0.00 0.00 37.83 34.01 1sgo s LYS 86 CO 0.02 0.43 0.17 0.08 -0.36 0.00 0.00 175.35 175.69 1sgo s VAL 87 N -1.71 4.78 -0.40 4.02 1.01 -1.26 0.01 120.40 126.84 1sgo s VAL 87 Ca 0.25 -0.33 0.09 0.00 0.00 0.00 0.00 61.98 62.00 1sgo s VAL 87 Cb -0.09 -3.42 -0.11 0.00 0.00 0.00 0.00 36.38 32.76 1sgo s VAL 87 CO 0.15 0.08 0.38 1.33 0.00 0.00 0.00 175.10 177.04 1sgo n VAL 88 N 5.01 0.00 -3.58 2.92 0.24 0.03 -4.03 118.33 118.91 1sgo n VAL 88 Ca -0.14 -0.27 -0.06 0.00 -2.04 0.00 0.00 64.34 61.83 1sgo n VAL 88 Cb 0.50 0.92 -0.02 0.00 -1.47 0.00 0.00 33.84 33.77 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 -2.03 -0.38 -0.03 7.63 0.00 -1.10 -0.32 107.32 111.09 1sgo s GLY 89 Ca 0.03 0.87 0.22 0.00 0.00 0.00 0.00 44.72 45.84 1sgo s GLY 89 CO 0.39 0.27 1.57 -1.72 0.00 0.00 0.00 173.10 173.61 1sgo n TYR 90 N -0.29 1.12 -4.15 1.90 4.01 -1.26 -0.81 117.16 117.67 1sgo n TYR 90 Ca -0.07 -0.52 -0.13 0.00 -0.16 0.00 0.00 57.90 57.02 1sgo n TYR 90 Cb 0.61 -0.06 -0.08 0.00 -0.31 0.00 0.00 39.34 39.50 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 -1.22 0.93 0.03 -0.72 0.00 -1.26 -3.82 121.76 115.70 1sgo s ALA 91 Ca 0.50 -1.57 -0.30 0.00 0.00 0.00 0.00 51.96 50.59 1sgo s ALA 91 Cb 0.28 1.30 -0.06 0.00 0.00 0.00 0.00 23.12 24.64 1sgo s ALA 91 CO 0.31 -0.69 1.32 -0.06 0.00 0.00 0.00 175.76 176.64 1sgo s PHE 92 N -3.82 3.13 -1.62 0.00 0.08 -1.26 -2.73 117.98 111.76 1sgo s PHE 92 Ca 0.34 1.03 0.00 0.00 0.12 0.00 0.00 56.93 58.42 1sgo s PHE 92 Cb 0.03 -3.57 0.00 0.00 -0.57 0.00 0.00 43.02 38.92 1sgo s PHE 92 CO 0.15 -1.96 0.00 -0.25 -0.10 0.00 0.00 175.22 173.06 1sgo n ASP 93 N 4.72 -4.97 -4.35 1.36 9.92 -1.26 -4.95 116.55 117.02 1sgo n ASP 93 Ca 0.11 0.23 -0.44 0.00 -0.53 0.00 0.00 54.79 54.16 1sgo n ASP 93 Cb 0.44 -4.00 -0.07 0.00 -0.64 0.00 0.00 41.12 36.85 1sgo n ASP 93 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1sgo s GLN 94 N -4.03 2.93 -0.42 -1.24 2.00 -1.10 -4.99 119.66 112.80 1sgo s GLN 94 Ca 0.00 -1.48 -0.06 0.00 -2.00 0.00 0.00 55.36 51.82 1sgo s GLN 94 Cb 0.00 -4.14 0.10 0.00 0.80 0.00 0.00 33.01 29.77 1sgo s GLN 94 CO 0.00 -1.12 0.24 0.08 -0.50 0.00 0.00 175.29 174.00 1sgo s VAL 95 N 1.60 3.73 -0.02 1.34 1.01 -1.26 -2.72 120.40 124.07 1sgo s VAL 95 Ca 0.04 -1.81 -0.02 0.00 0.00 0.00 0.00 61.98 60.19 1sgo s VAL 95 Cb -0.26 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1sgo s VAL 95 CO 0.05 -0.64 0.14 -0.62 0.00 0.00 0.00 175.10 174.03 1sgo s ASP 96 N 2.10 6.14 0.20 3.32 -1.08 0.57 -4.99 116.67 122.93 1sgo s ASP 96 Ca 0.06 0.30 0.25 0.00 -0.52 0.00 0.00 52.55 52.63 1sgo s ASP 96 Cb -0.24 -1.89 0.90 0.00 -1.46 0.00 0.00 42.92 40.24 1sgo s ASP 96 CO -0.02 0.28 1.75 0.47 0.52 0.00 0.00 175.17 178.18 1sgo n ASP 97 N 1.16 0.67 -0.87 -0.34 9.92 -1.26 -2.78 116.55 123.05 1sgo n ASP 97 Ca -0.13 0.60 0.08 0.00 -0.53 0.00 0.00 54.79 54.82 1sgo n ASP 97 Cb 0.53 -0.77 0.23 0.00 -0.64 0.00 0.00 41.12 40.47 1sgo n ASP 97 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1sgo n HIS 98 N -2.17 0.60 -4.02 1.24 8.25 -1.26 -4.67 115.22 113.18 1sgo n HIS 98 Ca 0.04 -0.30 -0.31 0.00 -0.26 0.00 0.00 57.72 56.89 1sgo n HIS 98 Cb 0.34 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.30 1sgo n HIS 98 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1sgo s LEU 99 N -1.08 4.37 -0.29 2.41 1.02 -1.12 -4.92 118.68 119.08 1sgo s LEU 99 Ca 0.32 -1.96 0.07 0.00 0.02 0.00 0.00 54.13 52.59 1sgo s LEU 99 Cb 0.17 -1.58 0.46 0.00 0.02 0.00 0.00 46.19 45.26 1sgo s LEU 99 CO 0.23 -0.34 1.19 0.00 0.02 0.00 0.00 176.35 177.45 1sgo n GLN 100 N 4.31 3.59 -1.47 1.70 -0.00 -1.26 -4.67 117.38 119.59 1sgo n GLN 100 Ca -0.00 -4.17 -0.37 0.00 -0.00 0.00 0.00 57.00 52.46 1sgo n GLN 100 Cb 0.42 -2.27 0.07 0.00 -0.00 0.00 0.00 30.24 28.46 1sgo n GLN 100 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1sgo n THR 101 N -0.70 3.09 -1.68 -0.39 -2.24 -1.26 -4.86 114.28 106.24 1sgo n THR 101 Ca 0.43 -0.44 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 1sgo n THR 101 Cb 0.96 -1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 68.11 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 -2.95 4.14 0.26 -0.78 0.04 -1.26 -4.51 135.00 129.95 1sgo s PRO 102 Ca 0.74 2.61 -0.20 0.00 0.04 0.00 0.00 61.00 64.18 1sgo s PRO 102 Cb -0.38 -4.11 -0.09 0.00 0.04 0.00 0.00 34.50 29.97 1sgo s PRO 102 CO 0.50 -0.94 0.78 1.52 0.04 0.00 0.00 177.00 178.89 1sgo s TYR 103 N 4.29 3.61 0.18 0.56 -0.85 -1.26 -4.78 117.35 119.10 1sgo s TYR 103 Ca 0.87 1.46 0.07 0.00 -0.52 0.00 0.00 57.07 58.96 1sgo s TYR 103 Cb -0.43 -2.68 -0.04 0.00 0.38 0.00 0.00 41.96 39.19 1sgo s TYR 103 CO 0.41 0.26 0.01 -1.01 -1.52 0.00 0.00 175.55 173.71 1sgo s HIS 104 N -1.62 2.86 0.20 -3.49 3.76 -0.70 -4.88 115.29 111.42 1sgo s HIS 104 Ca 0.47 -0.13 -0.05 0.00 -0.15 0.00 0.00 55.06 55.19 1sgo s HIS 104 Cb -0.16 -1.37 0.16 0.00 1.11 0.00 0.00 32.58 32.31 1sgo s HIS 104 CO 0.21 0.53 1.62 1.05 -0.85 0.00 0.00 174.74 177.29 1sgo h GLU 105 N 2.58 0.82 -6.44 1.40 9.09 -1.89 0.19 114.58 120.34 1sgo h GLU 105 Ca -0.47 -0.33 -0.62 0.00 0.05 0.00 0.00 59.36 57.99 1sgo h GLU 105 Cb 1.21 -0.04 -0.19 0.00 -1.65 0.00 0.00 28.75 28.08 1sgo h GLU 105 CO 0.59 0.96 -0.82 0.95 0.05 0.00 0.00 179.01 180.74 1sgo s THR 106 N -4.64 2.16 0.30 -1.06 -4.23 -1.26 -4.48 115.64 102.43 1sgo s THR 106 Ca -0.10 -1.93 0.19 0.00 -1.18 0.00 0.00 61.69 58.67 1sgo s THR 106 Cb 0.13 -1.99 0.16 0.00 1.34 0.00 0.00 72.50 72.14 1sgo s THR 106 CO 0.84 -0.14 1.86 1.62 -0.54 0.00 0.00 174.62 178.26 1sgo h VAL 107 N 3.36 0.93 0.58 2.29 3.04 -1.97 -2.11 116.25 122.36 1sgo h VAL 107 Ca -0.46 -1.17 -0.03 0.00 -1.01 0.00 0.00 66.70 64.03 1sgo h VAL 107 Cb 1.20 1.69 0.01 0.00 -2.01 0.00 0.00 31.29 32.18 1sgo h VAL 107 CO 0.47 0.30 -0.28 1.88 -1.01 0.00 0.00 177.57 178.93 1sgo h TYR 108 N 0.00 -0.72 0.00 3.17 -1.99 -1.98 0.16 116.97 115.61 1sgo h TYR 108 Ca -0.00 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1sgo h TYR 108 Cb 0.66 0.24 0.00 0.00 2.00 0.00 0.00 36.73 39.63 1sgo h TYR 108 CO 0.00 -0.41 0.00 0.43 -0.00 0.00 0.00 178.16 178.18 1sgo n SER 109 N -5.38 0.00 -0.10 3.88 7.64 -1.18 -2.28 113.62 116.19 1sgo n SER 109 Ca -0.12 -0.44 -0.16 0.00 1.01 0.00 0.00 58.87 59.16 1sgo n SER 109 Cb 0.33 -0.16 -0.06 0.00 -1.01 0.00 0.00 64.21 63.31 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 -1.16 1.90 0.27 -3.43 7.94 -0.80 -4.23 117.00 117.49 1sgo n LEU 110 Ca 0.16 0.42 0.11 0.00 -1.11 0.00 0.00 56.01 55.59 1sgo n LEU 110 Cb 0.16 -0.83 0.74 0.00 0.53 0.00 0.00 43.42 44.01 1sgo n LEU 110 CO 0.18 0.02 1.02 0.25 -1.11 0.00 0.00 177.39 177.76 1sgo h LEU 111 N -1.00 0.00 -1.54 -1.96 5.85 -0.70 0.71 115.31 116.66 1sgo h LEU 111 Ca -0.26 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 1sgo h LEU 111 Cb 1.12 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1sgo h LEU 111 CO -0.16 0.08 -0.23 -0.78 -0.34 0.00 0.00 178.44 177.01 1sgo h ASP 112 N 0.00 0.00 0.10 1.25 3.58 -1.65 -0.24 116.42 119.46 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 0.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1sgo h ASP 112 CO 0.01 0.23 -0.13 0.35 -2.88 0.00 0.00 179.24 176.82 1sgo n THR 113 N -3.82 0.00 -0.06 2.25 -2.24 0.23 -4.13 114.28 106.52 1sgo n THR 113 Ca -0.02 -0.21 -0.07 0.00 -2.27 0.00 0.00 64.05 61.49 1sgo n THR 113 Cb 0.33 0.52 -0.07 0.00 -2.10 0.00 0.00 70.33 69.01 1sgo n THR 113 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1sgo n LEU 114 N -0.15 1.66 -3.56 3.22 4.77 -0.72 -4.95 117.00 117.26 1sgo n LEU 114 Ca 0.15 -0.04 -0.21 0.00 -0.03 0.00 0.00 56.01 55.89 1sgo n LEU 114 Cb 0.37 -0.14 -0.15 0.00 -2.33 0.00 0.00 43.42 41.17 1sgo n LEU 114 CO 0.21 0.51 -0.25 -0.44 -1.33 0.00 0.00 177.39 176.09 1sgo s SER 115 N -4.81 1.60 0.64 -1.43 0.01 -0.18 -5.01 113.70 104.52 1sgo s SER 115 Ca -0.12 -0.26 0.36 0.00 1.31 0.00 0.00 55.95 57.24 1sgo s SER 115 Cb 0.04 0.15 2.01 0.00 0.21 0.00 0.00 66.02 68.43 1sgo s SER 115 CO 0.35 -0.32 2.19 -0.65 0.41 0.00 0.00 173.24 175.22 1sgo h PRO 116 N 8.36 0.00 0.00 12.44 0.11 -1.84 -0.32 132.00 150.75 1sgo h PRO 116 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1sgo h PRO 116 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1sgo h PRO 116 CO 0.26 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.05 1sgo n ALA 117 N -2.11 1.88 0.19 -0.75 0.00 -1.26 -3.46 120.51 114.99 1sgo n ALA 117 Ca -0.02 -0.07 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 1sgo n ALA 117 Cb 0.20 -1.27 -0.07 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.70 -0.66 0.00 3.20 -1.29 0.06 116.97 117.59 1sgo h TYR 118 Ca 0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 1sgo h TYR 118 Cb 0.18 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.69 1sgo h TYR 118 CO 0.00 -0.39 0.25 0.00 -1.64 0.00 0.00 178.16 176.38 1sgo h ARG 119 N -0.58 1.00 -0.16 1.82 3.08 -1.80 0.23 114.38 117.97 1sgo h ARG 119 Ca -0.01 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 1sgo h ARG 119 Cb 0.52 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1sgo h ARG 119 CO -0.04 0.84 0.08 0.93 -1.07 0.00 0.00 179.97 180.72 1sgo h GLU 120 N 0.94 0.23 -0.36 0.04 4.39 -1.71 -0.09 114.58 118.01 1sgo h GLU 120 Ca 0.22 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 1sgo h GLU 120 Cb 0.23 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1sgo h GLU 120 CO -0.01 0.26 0.20 0.00 -1.16 0.00 0.00 179.01 178.30 1sgo h ALA 121 N 0.96 0.46 -0.05 3.43 0.00 -0.58 -0.87 119.26 122.61 1sgo h ALA 121 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sgo h ALA 121 Cb 0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1sgo h ALA 121 CO -0.01 -0.02 0.02 0.35 0.00 0.00 0.00 179.25 179.60 1sgo h PHE 122 N 0.46 0.05 -0.67 0.00 3.57 -0.40 0.21 116.94 120.16 1sgo h PHE 122 Ca 0.13 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1sgo h PHE 122 Cb 0.04 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 1sgo h PHE 122 CO -0.03 0.03 0.32 0.78 -2.23 0.00 0.00 178.31 177.17 1sgo h GLY 123 N 0.05 1.05 2.00 2.40 0.00 -0.89 -2.41 103.07 105.26 1sgo h GLY 123 Ca 0.02 -0.53 -0.09 0.00 0.00 0.00 0.00 47.33 46.74 1sgo h GLY 123 CO -0.01 0.50 -0.41 3.43 0.00 0.00 0.00 176.54 180.05 1sgo h ASN 124 N 0.94 0.00 -0.54 0.19 2.35 -0.93 -2.88 115.58 114.70 1sgo h ASN 124 Ca 0.23 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.95 1sgo h ASN 124 Cb 0.13 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 1sgo h ASN 124 CO -0.03 0.41 0.25 0.00 -1.65 0.00 0.00 177.43 176.41 1sgo h ALA 125 N 1.59 1.34 -0.52 -0.83 0.00 -0.09 0.23 119.26 120.99 1sgo h ALA 125 Ca -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1sgo h ALA 125 Cb 0.92 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1sgo h ALA 125 CO 0.05 0.50 0.23 -0.07 0.00 0.00 0.00 179.25 179.96 1sgo h LEU 126 N 0.83 0.69 0.01 0.00 4.07 -1.31 0.17 115.31 119.76 1sgo h LEU 126 Ca 0.20 -0.14 -0.22 0.00 0.08 0.00 0.00 57.88 57.80 1sgo h LEU 126 Cb 0.14 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.67 1sgo h LEU 126 CO -0.02 0.64 -1.04 0.17 -1.08 0.00 0.00 178.44 177.11 1sgo h LEU 127 N 0.69 0.03 -0.77 1.67 8.10 -1.51 -3.15 115.31 120.37 1sgo h LEU 127 Ca 0.18 -0.03 -0.13 0.00 0.11 0.00 0.00 57.88 58.01 1sgo h LEU 127 Cb 0.15 -0.01 -0.02 0.00 -0.44 0.00 0.00 40.66 40.34 1sgo h LEU 127 CO -0.02 1.02 -0.60 -0.61 -4.11 0.00 0.00 178.44 174.13 1sgo h GLN 128 N 0.00 0.00 -1.01 0.17 5.75 -0.44 -2.81 115.11 116.78 1sgo h GLN 128 Ca -0.03 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.53 1sgo h GLN 128 Cb 1.79 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 30.28 1sgo h GLN 128 CO 0.13 0.60 0.65 -0.09 -2.65 0.00 0.00 178.83 177.48 1sgo h ARG 129 N 0.00 1.17 -0.25 1.69 9.65 -0.62 0.84 114.38 126.86 1sgo h ARG 129 Ca -0.01 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.79 1sgo h ARG 129 Cb 1.08 -0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 29.39 1sgo h ARG 129 CO 0.08 0.77 0.10 -0.07 2.80 0.00 0.00 179.97 183.65 1sgo h LEU 130 N 1.20 0.34 -0.85 3.80 3.38 -1.52 -2.28 115.31 119.38 1sgo h LEU 130 Ca 0.43 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 1sgo h LEU 130 Cb 0.13 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1sgo h LEU 130 CO -0.16 0.40 0.28 -0.33 0.09 0.00 0.00 178.44 178.72 1sgo h GLU 131 N 0.25 1.12 -0.81 1.13 4.39 -1.31 -2.47 114.58 116.87 1sgo h GLU 131 Ca 0.08 -0.21 0.05 0.00 0.34 0.00 0.00 59.36 59.62 1sgo h GLU 131 Cb 0.17 -0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 28.58 1sgo h GLU 131 CO -0.01 0.92 0.51 0.00 -1.16 0.00 0.00 179.01 179.27 1sgo h ALA 132 N 1.21 1.10 0.00 3.43 0.00 -0.63 0.10 119.26 124.45 1sgo h ALA 132 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1sgo h ALA 132 Cb 0.24 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1sgo h ALA 132 CO -0.02 0.28 0.00 -0.07 0.00 0.00 0.00 179.25 179.44 1sgo h LEU 133 N 0.96 0.00 -0.18 0.00 3.38 -0.96 -1.63 115.31 116.87 1sgo h LEU 133 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1sgo h LEU 133 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1sgo h LEU 133 CO -0.15 0.00 -0.34 0.29 0.09 0.00 0.00 178.44 178.33 1sgo n LYS 134 N -2.69 0.35 0.00 1.13 5.02 -0.01 -3.55 118.16 118.41 1sgo n LYS 134 Ca 0.01 -0.18 0.13 0.00 -2.02 0.00 0.00 58.31 56.24 1sgo n LYS 134 Cb 0.23 -1.50 0.26 0.00 -0.02 0.00 0.00 35.03 34.00 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 -1.17 1.64 -3.84 1.97 3.00 -0.61 -4.88 116.66 112.77 1sgo n ARG 135 Ca 0.09 -1.19 -0.13 0.00 -0.01 0.00 0.00 57.85 56.61 1sgo n ARG 135 Cb 0.33 -1.48 -0.14 0.00 0.00 0.00 0.00 32.46 31.17 1sgo n ARG 135 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1sgo s ASP 136 N -2.18 0.01 -0.03 0.55 -1.08 -1.23 -5.03 116.67 107.68 1sgo s ASP 136 Ca 0.29 0.03 0.05 0.00 -0.52 0.00 0.00 52.55 52.39 1sgo s ASP 136 Cb 0.20 0.00 0.07 0.00 -1.46 0.00 0.00 42.92 41.73 1sgo s ASP 136 CO 0.40 -0.04 1.04 0.61 0.52 0.00 0.00 175.17 177.70 1sgo n GLY 137 N 3.37 1.40 2.63 2.66 0.00 -1.26 -4.89 105.19 109.10 1sgo n GLY 137 Ca -0.16 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.58 0.24 0.00 1.61 -1.52 -1.26 -5.25 119.66 112.90 1sgo s GLN 138 Ca 0.08 -0.37 0.00 0.00 -1.95 0.00 0.00 55.36 53.12 1sgo s GLN 138 Cb 0.07 -0.99 0.00 0.00 -0.22 0.00 0.00 33.01 31.87 1sgo s GLN 138 CO -0.00 -1.01 0.00 0.45 -0.25 0.00 0.00 175.29 174.48