#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 0.56 -3.61 0.03 4.71 -1.26 -5.18 120.64 115.90 1sgo n GLU 2 Ca 0.00 -2.43 -0.13 0.00 -0.01 0.00 0.00 57.16 54.58 1sgo n GLU 2 Cb 0.00 1.52 -0.04 0.00 -1.01 0.00 0.00 31.44 31.90 1sgo n GLU 2 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 1sgo n THR 3 N -0.59 0.00 -3.03 2.62 5.66 -1.26 -5.13 114.28 112.55 1sgo n THR 3 Ca -0.01 -1.67 -0.41 0.00 -3.05 0.00 0.00 64.05 58.91 1sgo n THR 3 Cb 0.43 0.90 -0.05 0.00 -1.55 0.00 0.00 70.33 70.06 1sgo n THR 3 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1sgo s ASP 4 N -2.75 6.71 0.53 1.09 1.11 -1.26 -5.05 116.67 117.05 1sgo s ASP 4 Ca 0.27 0.88 0.00 0.00 0.18 0.00 0.00 52.55 53.88 1sgo s ASP 4 Cb 0.01 -2.38 0.00 0.00 1.07 0.00 0.00 42.92 41.62 1sgo s ASP 4 CO 0.19 -0.39 0.00 0.00 1.18 0.00 0.00 175.17 176.16 1sgo s ASN 6 N -1.00 5.89 0.00 0.00 0.01 -1.26 -5.05 114.94 113.53 1sgo s ASN 6 Ca 0.00 -2.57 0.00 0.00 -0.71 0.00 0.00 52.86 49.58 1sgo s ASN 6 Cb 0.00 -2.02 0.00 0.00 0.41 0.00 0.00 41.25 39.64 1sgo s ASN 6 CO 0.00 -0.52 0.00 -0.81 -1.51 0.00 0.00 177.10 174.26 1sgo n PRO 7 N 4.00 2.94 -4.55 -0.60 -0.04 -1.26 -5.13 135.00 130.36 1sgo n PRO 7 Ca 0.06 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.23 1sgo n PRO 7 Cb 0.42 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.74 1sgo n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sgo s MET 8 N 2.78 1.59 -0.13 0.54 0.23 -1.26 -5.13 119.30 117.91 1sgo s MET 8 Ca 0.00 -1.25 0.02 0.00 -1.03 0.00 0.00 55.69 53.44 1sgo s MET 8 Cb 0.00 -1.96 0.01 0.00 -1.53 0.00 0.00 34.83 31.35 1sgo s MET 8 CO 0.00 0.48 -0.21 -1.83 -2.03 0.00 0.00 175.02 171.42 1sgo s GLU 9 N -1.79 2.91 -0.04 3.16 1.03 -1.26 -4.97 118.70 117.73 1sgo s GLU 9 Ca 0.14 -0.81 0.10 0.00 0.03 0.00 0.00 54.97 54.42 1sgo s GLU 9 Cb -0.10 -2.36 0.37 0.00 -0.80 0.00 0.00 34.13 31.24 1sgo s GLU 9 CO 0.05 -0.02 1.23 1.28 -1.33 0.00 0.00 175.26 176.47 1sgo n LEU 10 N 4.08 2.53 -4.51 1.83 4.77 -1.26 -4.86 117.00 119.57 1sgo n LEU 10 Ca -0.20 -1.27 -0.26 0.00 -0.03 0.00 0.00 56.01 54.25 1sgo n LEU 10 Cb 0.51 -0.37 -0.08 0.00 -2.33 0.00 0.00 43.42 41.15 1sgo n LEU 10 CO 0.27 0.49 -0.18 -0.44 -1.33 0.00 0.00 177.39 176.19 1sgo s SER 11 N -0.79 2.80 0.05 -1.43 0.01 -1.26 -5.07 113.70 108.01 1sgo s SER 11 Ca 0.26 -1.71 -0.33 0.00 1.31 0.00 0.00 55.95 55.48 1sgo s SER 11 Cb 0.16 0.56 -0.19 0.00 0.21 0.00 0.00 66.02 66.77 1sgo s SER 11 CO 0.14 -0.97 1.45 0.77 0.41 0.00 0.00 173.24 175.04 1sgo h SER 12 N 1.77 -0.89 -5.02 2.44 4.64 -2.04 -3.46 113.55 110.98 1sgo h SER 12 Ca -0.34 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 60.92 1sgo h SER 12 Cb 1.27 0.23 -0.17 0.00 -0.31 0.00 0.00 62.40 63.42 1sgo h SER 12 CO 0.54 -0.58 -0.05 -0.32 -0.87 0.00 0.00 176.83 175.55 1sgo s MET 13 N -5.60 0.93 -0.87 4.77 1.75 -1.26 -5.07 119.30 113.96 1sgo s MET 13 Ca -0.17 -0.22 -0.25 0.00 -1.25 0.00 0.00 55.69 53.79 1sgo s MET 13 Cb 0.02 0.42 -0.02 0.00 2.84 0.00 0.00 34.83 38.10 1sgo s MET 13 CO 0.56 -0.31 1.79 -1.12 -0.65 0.00 0.00 175.02 175.29 1sgo s SER 14 N -1.79 5.49 -0.39 1.11 0.01 -1.26 -4.88 113.70 111.98 1sgo s SER 14 Ca -0.07 -0.65 0.01 0.00 1.31 0.00 0.00 55.95 56.55 1sgo s SER 14 Cb -0.01 -2.56 0.12 0.00 0.21 0.00 0.00 66.02 63.78 1sgo s SER 14 CO 0.00 -2.38 0.19 -0.83 0.41 0.00 0.00 173.24 170.63 1sgo s GLY 15 N 7.19 1.46 -0.15 3.44 0.00 -1.26 -4.95 107.32 113.05 1sgo s GLY 15 Ca 0.63 -2.28 0.00 0.00 0.00 0.00 0.00 44.72 43.07 1sgo s GLY 15 CO 0.02 1.57 0.24 0.33 0.00 0.00 0.00 173.10 175.26 1sgo n PHE 16 N 3.98 0.82 -3.39 1.90 7.35 -1.26 -4.87 117.46 121.98 1sgo n PHE 16 Ca 0.06 0.20 -0.38 0.00 -0.76 0.00 0.00 57.45 56.57 1sgo n PHE 16 Cb 0.37 -1.12 -0.06 0.00 0.35 0.00 0.00 39.48 39.02 1sgo n PHE 16 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1sgo s GLU 17 N -2.55 4.24 0.02 -4.13 0.41 -1.26 -5.08 118.70 110.35 1sgo s GLU 17 Ca -0.22 0.37 0.01 0.00 -0.41 0.00 0.00 54.97 54.72 1sgo s GLU 17 Cb 0.07 -3.39 -0.02 0.00 -1.78 0.00 0.00 34.13 29.02 1sgo s GLU 17 CO 0.74 0.29 -0.04 -2.00 -0.49 0.00 0.00 175.26 173.76 1sgo s GLU 18 N 0.23 0.32 0.00 1.61 2.12 -1.26 -4.98 118.70 116.75 1sgo s GLU 18 Ca 0.24 -0.50 0.00 0.00 0.36 0.00 0.00 54.97 55.07 1sgo s GLU 18 Cb -0.15 -0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.17 1sgo s GLU 18 CO 0.10 0.00 0.00 0.41 -0.54 0.00 0.00 175.26 175.23 1sgo n GLY 19 N 1.97 0.54 3.76 -1.50 0.00 -1.26 -5.14 105.19 103.56 1sgo n GLY 19 Ca -0.20 0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1sgo n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sgo s SER 20 N 0.00 5.19 0.18 1.61 0.01 -1.26 -5.01 113.70 114.42 1sgo s SER 20 Ca 0.00 2.25 -0.24 0.00 1.31 0.00 0.00 55.95 59.27 1sgo s SER 20 Cb 0.00 -2.58 -0.08 0.00 0.21 0.00 0.00 66.02 63.57 1sgo s SER 20 CO 0.00 -1.59 0.76 -1.83 0.41 0.00 0.00 173.24 170.99 1sgo s GLU 21 N -3.55 4.47 -0.13 12.44 -1.05 -1.26 -4.99 118.70 124.63 1sgo s GLU 21 Ca 0.74 1.07 -0.07 0.00 -0.15 0.00 0.00 54.97 56.56 1sgo s GLU 21 Cb -0.26 -3.15 -0.25 0.00 -0.44 0.00 0.00 34.13 30.02 1sgo s GLU 21 CO 0.35 0.52 0.33 -0.11 0.95 0.00 0.00 175.26 177.30 1sgo n LEU 22 N 1.35 2.60 -4.66 1.83 0.00 -1.26 -4.87 117.00 112.00 1sgo n LEU 22 Ca -0.05 0.21 -0.42 0.00 0.00 0.00 0.00 56.01 55.75 1sgo n LEU 22 Cb 0.49 -1.10 -0.03 0.00 0.00 0.00 0.00 43.42 42.78 1sgo n LEU 22 CO 0.45 0.82 1.62 -3.20 0.00 0.00 0.00 177.39 177.08 1sgo n ASN 23 N -3.54 4.11 0.00 1.96 5.15 -1.26 -4.83 115.26 116.86 1sgo n ASN 23 Ca -0.33 0.87 0.00 0.00 -0.60 0.00 0.00 54.58 54.52 1sgo n ASN 23 Cb 1.02 -1.52 0.00 0.00 -0.53 0.00 0.00 39.78 38.75 1sgo n ASN 23 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sgo n GLY 24 N 4.61 2.97 0.10 8.20 0.00 -1.26 -5.02 105.19 114.79 1sgo n GLY 24 Ca 0.21 -0.23 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 1sgo n GLY 24 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1sgo h PHE 25 N 0.00 0.00 -3.81 1.61 -1.00 -2.02 -3.43 116.94 108.29 1sgo h PHE 25 Ca 0.00 0.00 -0.66 0.00 2.81 0.00 0.00 57.97 60.12 1sgo h PHE 25 Cb 0.00 0.00 -0.37 0.00 3.61 0.00 0.00 35.95 39.19 1sgo h PHE 25 CO 0.00 0.60 -0.79 -2.00 -1.61 0.00 0.00 178.31 174.51 1sgo s GLU 26 N -2.91 2.05 -0.92 1.51 2.12 -1.26 -5.03 118.70 114.26 1sgo s GLU 26 Ca -0.01 -1.31 -0.01 0.00 0.36 0.00 0.00 54.97 54.00 1sgo s GLU 26 Cb 0.08 -2.85 0.28 0.00 0.26 0.00 0.00 34.13 31.90 1sgo s GLU 26 CO 0.80 -0.61 1.14 0.41 -0.54 0.00 0.00 175.26 176.46 1sgo n GLY 27 N 4.47 4.87 3.68 -1.50 0.00 -1.26 -4.94 105.19 110.51 1sgo n GLY 27 Ca -0.12 -2.69 -0.42 0.00 0.00 0.00 0.00 46.02 42.78 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 -2.43 4.77 0.47 2.61 2.01 -1.26 -4.92 115.64 116.88 1sgo s THR 28 Ca 0.33 2.00 0.24 0.00 0.31 0.00 0.00 61.69 64.57 1sgo s THR 28 Cb 0.06 -4.29 0.28 0.00 0.01 0.00 0.00 72.50 68.55 1sgo s THR 28 CO 0.03 -0.04 2.10 0.44 -0.69 0.00 0.00 174.62 176.45 1sgo h ASP 29 N 7.22 0.00 -0.24 3.53 5.19 -2.07 -3.45 116.42 126.59 1sgo h ASP 29 Ca -0.28 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.03 1sgo h ASP 29 Cb 1.12 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.59 1sgo h ASP 29 CO 0.89 0.10 -0.09 0.80 -3.12 0.00 0.00 179.24 177.82 1sgo n MET 30 N -3.91 -0.63 -2.18 3.56 0.00 -1.26 -4.96 117.12 107.75 1sgo n MET 30 Ca -0.02 0.57 -0.43 0.00 -0.00 0.00 0.00 57.70 57.82 1sgo n MET 30 Cb 0.20 -4.31 -0.02 0.00 0.00 0.00 0.00 33.22 29.09 1sgo n MET 30 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 1sgo s LYS 31 N -1.98 3.88 -0.16 2.12 2.20 -1.26 -4.99 119.74 119.56 1sgo s LYS 31 Ca 0.00 1.65 -0.19 0.00 -0.36 0.00 0.00 55.97 57.06 1sgo s LYS 31 Cb 0.00 -3.98 -0.03 0.00 -1.51 0.00 0.00 37.83 32.30 1sgo s LYS 31 CO 0.00 -1.18 0.54 0.34 -0.36 0.00 0.00 175.35 174.70 1sgo s ASP 32 N 3.74 6.67 0.27 1.43 2.15 -1.26 -4.77 116.67 124.89 1sgo s ASP 32 Ca 0.68 0.80 0.05 0.00 0.43 0.00 0.00 52.55 54.52 1sgo s ASP 32 Cb -0.24 -2.31 0.35 0.00 -0.30 0.00 0.00 42.92 40.42 1sgo s ASP 32 CO 0.27 -0.13 1.63 -0.03 -0.17 0.00 0.00 175.17 176.74 1sgo h MET 33 N 7.15 0.24 -0.47 4.34 1.85 -1.26 -2.55 114.93 124.24 1sgo h MET 33 Ca -0.36 -0.14 -0.09 0.00 -0.61 0.00 0.00 59.70 58.50 1sgo h MET 33 Cb 1.16 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 33.19 1sgo h MET 33 CO 0.75 0.69 -0.06 -0.09 -0.40 0.00 0.00 176.91 177.81 1sgo h ARG 34 N 0.19 0.86 0.07 0.39 2.43 -1.88 0.08 114.38 116.52 1sgo h ARG 34 Ca 0.01 -0.30 0.02 0.00 -0.81 0.00 0.00 59.98 58.89 1sgo h ARG 34 Cb 0.96 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.39 1sgo h ARG 34 CO 0.08 0.94 -0.53 1.25 -1.51 0.00 0.00 179.97 180.20 1sgo h LEU 35 N 0.71 -1.61 -1.50 3.80 5.85 -1.90 0.25 115.31 120.90 1sgo h LEU 35 Ca 0.12 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 1sgo h LEU 35 Cb 0.59 0.60 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1sgo h LEU 35 CO 0.04 -0.54 0.16 -0.33 -0.34 0.00 0.00 178.44 177.43 1sgo h GLU 36 N -0.72 0.49 0.34 1.25 4.39 -1.40 -2.28 114.58 116.65 1sgo h GLU 36 Ca 0.00 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1sgo h GLU 36 Cb 0.74 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1sgo h GLU 36 CO -0.32 0.39 -0.16 0.00 -1.16 0.00 0.00 179.01 177.77 1sgo h ALA 37 N 1.69 -0.45 0.00 3.43 0.00 -0.24 -0.43 119.26 123.25 1sgo h ALA 37 Ca 0.13 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1sgo h ALA 37 Cb 0.07 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1sgo h ALA 37 CO -0.02 -0.65 -0.14 0.93 0.00 0.00 0.00 179.25 179.38 1sgo h GLU 38 N -0.66 0.00 -0.19 0.00 5.08 -0.85 -0.42 114.58 117.54 1sgo h GLU 38 Ca -0.05 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1sgo h GLU 38 Cb 0.47 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1sgo h GLU 38 CO 0.08 0.14 -0.24 0.00 -1.00 0.00 0.00 179.01 177.98 1sgo h ALA 39 N 1.86 0.28 -0.16 3.43 0.00 -1.13 -2.93 119.26 120.62 1sgo h ALA 39 Ca -0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1sgo h ALA 39 Cb 0.38 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1sgo h ALA 39 CO 0.02 0.25 0.05 0.28 0.00 0.00 0.00 179.25 179.85 1sgo h VAL 40 N 0.15 1.19 -0.72 0.00 2.07 -0.29 -2.96 116.25 115.69 1sgo h VAL 40 Ca 0.02 -0.59 0.10 0.00 0.82 0.00 0.00 66.70 67.05 1sgo h VAL 40 Cb 0.81 1.28 -0.07 0.00 -1.52 0.00 0.00 31.29 31.78 1sgo h VAL 40 CO 0.06 0.18 0.35 0.58 0.02 0.00 0.00 177.57 178.76 1sgo h VAL 41 N 0.08 0.83 -0.53 2.57 2.07 -1.16 -2.10 116.25 118.01 1sgo h VAL 41 Ca 0.05 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.27 1sgo h VAL 41 Cb 0.23 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1sgo h VAL 41 CO -0.00 0.11 -0.07 -1.13 0.02 0.00 0.00 177.57 176.50 1sgo h ASN 42 N 0.59 0.94 0.31 0.57 -0.00 -1.48 -2.40 115.58 114.11 1sgo h ASN 42 Ca 0.36 -0.28 -0.22 0.00 -0.00 0.00 0.00 56.30 56.15 1sgo h ASN 42 Cb 0.39 -0.25 0.00 0.00 -0.00 0.00 0.00 38.32 38.46 1sgo h ASN 42 CO -0.28 1.04 -0.92 -0.78 -0.00 0.00 0.00 177.43 176.48 1sgo h ASP 43 N 0.86 0.55 -0.47 1.15 3.58 -1.22 -3.24 116.42 117.62 1sgo h ASP 43 Ca 0.14 -0.43 0.00 0.00 0.42 0.00 0.00 57.03 57.16 1sgo h ASP 43 Cb 0.60 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.49 1sgo h ASP 43 CO 0.04 1.22 0.00 1.33 -2.88 0.00 0.00 179.24 178.95 1sgo n VAL 44 N -3.76 0.87 0.26 2.25 0.24 -0.98 -4.54 118.33 112.67 1sgo n VAL 44 Ca -0.07 -0.93 0.09 0.00 -2.04 0.00 0.00 64.34 61.39 1sgo n VAL 44 Cb 0.82 0.61 0.67 0.00 -1.47 0.00 0.00 33.84 34.48 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 3.19 0.00 -1.36 1.34 5.85 -1.46 -2.60 115.31 120.28 1sgo h LEU 45 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1sgo h LEU 45 Cb 0.84 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 1sgo h LEU 45 CO 0.00 0.02 -0.13 2.19 -0.34 0.00 0.00 178.44 180.18 1sgo h PHE 46 N 0.00 0.00 -0.48 1.25 -0.00 -1.82 -3.02 116.94 112.86 1sgo h PHE 46 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1sgo h PHE 46 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.99 1sgo h PHE 46 CO 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 178.31 178.44 1sgo n ALA 47 N -2.18 2.43 -3.90 12.09 0.00 -0.98 -4.91 120.51 123.05 1sgo n ALA 47 Ca 0.00 -0.93 -0.17 0.00 0.00 0.00 0.00 53.44 52.35 1sgo n ALA 47 Cb 0.36 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.79 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 1.10 0.00 -0.06 0.00 0.24 -1.14 -4.43 118.33 114.04 1sgo n VAL 48 Ca 0.19 -1.75 -0.06 0.00 -2.04 0.00 0.00 64.34 60.68 1sgo n VAL 48 Cb 0.48 0.88 -0.06 0.00 -1.47 0.00 0.00 33.84 33.67 1sgo n VAL 48 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 1sgo h ASN 49 N 1.48 0.00 -3.66 -1.34 -1.24 -0.82 -3.44 115.58 106.56 1sgo h ASN 49 Ca -0.17 -0.44 -0.10 0.00 0.71 0.00 0.00 56.30 56.31 1sgo h ASN 49 Cb 0.87 0.00 -0.24 0.00 0.73 0.00 0.00 38.32 39.68 1sgo h ASN 49 CO 0.25 0.73 -0.18 0.21 -1.29 0.00 0.00 177.43 177.15 1sgo s ASN 50 N -5.85 -0.54 -0.01 1.15 3.84 -0.84 -5.05 114.94 107.63 1sgo s ASN 50 Ca -0.09 0.99 0.01 0.00 0.21 0.00 0.00 52.86 53.98 1sgo s ASN 50 Cb -0.01 0.96 0.01 0.00 -0.55 0.00 0.00 41.25 41.66 1sgo s ASN 50 CO 0.31 -0.18 -0.01 -0.32 -2.79 0.00 0.00 177.10 174.11 1sgo s MET 51 N 0.66 0.22 0.09 0.43 1.75 -1.26 -0.23 119.30 120.97 1sgo s MET 51 Ca -0.03 -0.01 -0.25 0.00 -1.25 0.00 0.00 55.69 54.15 1sgo s MET 51 Cb -0.05 -0.31 0.07 0.00 2.84 0.00 0.00 34.83 37.39 1sgo s MET 51 CO -0.04 -0.03 0.66 0.12 -0.65 0.00 0.00 175.02 175.07 1sgo s PHE 52 N 0.43 -0.54 0.24 4.11 5.36 -0.38 -4.97 117.98 122.23 1sgo s PHE 52 Ca -0.04 0.49 -0.30 0.00 -0.96 0.00 0.00 56.93 56.12 1sgo s PHE 52 Cb -0.07 0.52 -0.09 0.00 -0.34 0.00 0.00 43.02 43.05 1sgo s PHE 52 CO -0.01 -0.75 1.19 0.54 -1.46 0.00 0.00 175.22 174.72 1sgo s VAL 53 N -3.08 3.39 -0.19 3.12 0.11 -1.26 -0.40 120.40 122.08 1sgo s VAL 53 Ca -0.01 1.27 -0.29 0.00 -2.93 0.00 0.00 61.98 60.02 1sgo s VAL 53 Cb -0.01 -3.81 -0.03 0.00 -1.53 0.00 0.00 36.38 31.00 1sgo s VAL 53 CO -0.07 0.25 1.65 -0.44 -3.33 0.00 0.00 175.10 173.15 1sgo s SER 54 N -0.28 6.39 0.00 3.54 0.01 0.48 -4.79 113.70 119.04 1sgo s SER 54 Ca 0.50 1.73 0.23 0.00 1.31 0.00 0.00 55.95 59.72 1sgo s SER 54 Cb -0.34 -2.53 0.51 0.00 0.21 0.00 0.00 66.02 63.87 1sgo s SER 54 CO 0.41 -1.23 1.44 1.17 0.41 0.00 0.00 173.24 175.43 1sgo n LYS 55 N 7.62 2.23 -0.40 12.44 4.81 -1.26 -4.19 118.16 139.41 1sgo n LYS 55 Ca 0.19 -1.83 0.09 0.00 -0.87 0.00 0.00 58.31 55.88 1sgo n LYS 55 Cb 0.45 -1.47 0.28 0.00 0.02 0.00 0.00 35.03 34.30 1sgo n LYS 55 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1sgo n SER 56 N 1.09 3.91 0.00 3.14 7.64 -1.26 -4.84 113.62 123.30 1sgo n SER 56 Ca 0.18 -2.25 0.00 0.00 1.01 0.00 0.00 58.87 57.81 1sgo n SER 56 Cb 0.52 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1sgo n SER 56 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1sgo n LEU 57 N 0.92 0.00 -3.61 -3.43 4.32 -1.26 -5.13 117.00 108.81 1sgo n LEU 57 Ca 0.21 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 56.16 1sgo n LEU 57 Cb 0.68 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.46 1sgo n LEU 57 CO 0.16 0.00 1.07 0.00 -1.22 0.00 0.00 177.39 177.40 1sgo s ARG 58 N 0.38 0.21 -0.30 3.23 1.70 -1.26 -5.16 118.95 117.75 1sgo s ARG 58 Ca 0.00 -0.07 -0.07 0.00 -0.47 0.00 0.00 55.73 55.12 1sgo s ARG 58 Cb 0.00 0.09 0.17 0.00 -0.57 0.00 0.00 34.95 34.65 1sgo s ARG 58 CO 0.00 -0.09 0.78 0.00 -1.08 0.00 0.00 175.30 174.91 1sgo s ALA 60 N 2.83 0.33 0.00 0.00 0.00 0.05 -4.97 121.76 120.01 1sgo s ALA 60 Ca 0.08 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.54 1sgo s ALA 60 Cb -0.12 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.19 1sgo s ALA 60 CO -0.18 -2.13 0.00 -0.25 0.00 0.00 0.00 175.76 173.21 1sgo n ASP 61 N 4.07 0.00 0.08 0.00 8.00 -1.26 -3.32 116.55 124.13 1sgo n ASP 61 Ca 0.12 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.58 1sgo n ASP 61 Cb 0.41 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.43 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 -3.86 -2.24 1.82 -1.94 0.26 116.42 110.45 1sgo h ASP 62 Ca 0.00 0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 56.29 1sgo h ASP 62 Cb 0.00 0.00 -0.29 0.00 0.68 0.00 0.00 39.33 39.72 1sgo h ASP 62 CO 0.00 0.85 -0.76 0.54 -1.61 0.00 0.00 179.24 178.26 1sgo s VAL 63 N -2.78 0.49 -0.08 2.25 0.11 -1.21 -4.32 120.40 114.86 1sgo s VAL 63 Ca 0.02 -0.24 -0.05 0.00 -2.93 0.00 0.00 61.98 58.78 1sgo s VAL 63 Cb 0.09 -0.43 0.04 0.00 -1.53 0.00 0.00 36.38 34.55 1sgo s VAL 63 CO 0.80 0.15 0.20 0.00 -3.33 0.00 0.00 175.10 172.92 1sgo s ALA 64 N 0.03 -0.45 -0.16 1.54 0.00 -0.88 -0.77 121.76 121.08 1sgo s ALA 64 Ca 0.00 0.77 -0.15 0.00 0.00 0.00 0.00 51.96 52.58 1sgo s ALA 64 Cb -0.04 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 1sgo s ALA 64 CO -0.00 -0.15 0.36 0.71 0.00 0.00 0.00 175.76 176.68 1sgo s TYR 65 N 0.89 3.45 0.22 0.00 2.02 -1.24 -0.71 117.35 121.98 1sgo s TYR 65 Ca -0.06 0.67 0.11 0.00 -0.37 0.00 0.00 57.07 57.42 1sgo s TYR 65 Cb -0.08 -2.44 -0.05 0.00 -0.40 0.00 0.00 41.96 39.00 1sgo s TYR 65 CO -0.05 0.16 -0.21 0.42 -1.57 0.00 0.00 175.55 174.30 1sgo s ILE 66 N 0.70 2.47 -0.02 2.71 1.01 0.47 -0.39 121.20 128.15 1sgo s ILE 66 Ca 0.19 -2.10 0.04 0.00 0.00 0.00 0.00 60.65 58.79 1sgo s ILE 66 Cb -0.14 -2.22 -0.01 0.00 0.01 0.00 0.00 42.46 40.10 1sgo s ILE 66 CO 0.06 -0.20 -0.15 0.21 0.00 0.00 0.00 174.94 174.87 1sgo s ASN 67 N -2.92 1.76 -0.05 3.58 2.47 0.46 -0.21 114.94 120.02 1sgo s ASN 67 Ca 0.24 -0.27 0.02 0.00 0.42 0.00 0.00 52.86 53.27 1sgo s ASN 67 Cb -0.07 -0.25 0.01 0.00 -1.45 0.00 0.00 41.25 39.49 1sgo s ASN 67 CO 0.12 0.17 -0.11 0.54 -3.72 0.00 0.00 177.10 174.10 1sgo s VAL 68 N -0.26 1.03 -0.26 -5.21 0.11 0.04 -1.25 120.40 114.58 1sgo s VAL 68 Ca 0.04 -0.44 0.03 0.00 -2.93 0.00 0.00 61.98 58.67 1sgo s VAL 68 Cb -0.07 -0.93 0.06 0.00 -1.53 0.00 0.00 36.38 33.91 1sgo s VAL 68 CO -0.00 0.32 -0.08 -0.70 -3.33 0.00 0.00 175.10 171.31 1sgo s GLU 69 N 0.50 2.06 1.10 1.54 2.12 0.69 -0.51 118.70 126.20 1sgo s GLU 69 Ca -0.10 -1.35 -0.19 0.00 0.36 0.00 0.00 54.97 53.70 1sgo s GLU 69 Cb -0.13 -2.87 0.27 0.00 0.26 0.00 0.00 34.13 31.66 1sgo s GLU 69 CO 0.02 -0.61 1.08 0.25 -0.54 0.00 0.00 175.26 175.46 1sgo n THR 70 N 4.45 0.00 0.23 -1.70 -2.24 0.72 -0.55 114.28 115.19 1sgo n THR 70 Ca -0.12 -0.56 0.10 0.00 -2.27 0.00 0.00 64.05 61.19 1sgo n THR 70 Cb 0.42 -1.30 0.55 0.00 -2.10 0.00 0.00 70.33 67.91 1sgo n THR 70 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1sgo h LYS 71 N 0.00 0.00 -0.67 -0.78 1.57 -1.85 -0.60 116.57 114.24 1sgo h LYS 71 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1sgo h LYS 71 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1sgo h LYS 71 CO 0.26 0.22 0.00 0.39 -0.57 0.00 0.00 179.45 179.75 1sgo n GLU 72 N -3.63 3.54 -0.95 3.15 -0.58 -1.26 -4.86 120.64 116.05 1sgo n GLU 72 Ca -0.01 -2.22 0.00 0.00 -0.42 0.00 0.00 57.16 54.50 1sgo n GLU 72 Cb 0.35 -1.94 0.00 0.00 -0.57 0.00 0.00 31.44 29.28 1sgo n GLU 72 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1sgo n ARG 73 N 0.58 -0.52 -2.33 3.49 3.00 -0.24 -4.97 116.66 115.66 1sgo n ARG 73 Ca 0.20 0.13 -0.42 0.00 -0.00 0.00 0.00 57.85 57.76 1sgo n ARG 73 Cb 0.85 -3.58 -0.03 0.00 0.00 0.00 0.00 32.46 29.70 1sgo n ARG 73 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1sgo s ASN 74 N -2.17 7.02 -0.08 6.15 0.02 -1.26 -4.69 114.94 119.93 1sgo s ASN 74 Ca 0.00 2.21 0.02 0.00 -1.02 0.00 0.00 52.86 54.07 1sgo s ASN 74 Cb 0.00 -2.60 -0.02 0.00 0.02 0.00 0.00 41.25 38.65 1sgo s ASN 74 CO 0.00 -0.46 -0.13 -0.13 0.02 0.00 0.00 177.10 176.39 1sgo s ARG 75 N 0.36 2.85 -0.05 -0.60 0.52 -1.26 -0.20 118.95 120.57 1sgo s ARG 75 Ca 0.57 -0.68 0.03 0.00 -0.52 0.00 0.00 55.73 55.12 1sgo s ARG 75 Cb -0.33 -2.48 0.01 0.00 0.52 0.00 0.00 34.95 32.66 1sgo s ARG 75 CO 0.34 0.47 -0.12 0.71 0.02 0.00 0.00 175.30 176.72 1sgo s TYR 76 N -0.33 1.29 -0.19 -0.53 2.02 0.33 -3.42 117.35 116.53 1sgo s TYR 76 Ca 0.03 -0.41 -0.08 0.00 -0.37 0.00 0.00 57.07 56.25 1sgo s TYR 76 Cb -0.13 -0.93 -0.04 0.00 -0.40 0.00 0.00 41.96 40.46 1sgo s TYR 76 CO 0.02 -0.19 0.07 0.00 -1.57 0.00 0.00 175.55 173.88 1sgo s LEU 78 N 0.39 2.26 -0.65 0.00 1.43 0.70 -0.50 118.68 122.31 1sgo s LEU 78 Ca 0.04 -0.51 -0.19 0.00 -1.03 0.00 0.00 54.13 52.43 1sgo s LEU 78 Cb -0.12 -1.47 0.11 0.00 0.03 0.00 0.00 46.19 44.74 1sgo s LEU 78 CO 0.00 0.14 0.79 -0.70 0.23 0.00 0.00 176.35 176.81 1sgo s GLU 79 N 0.47 3.14 -0.19 1.70 2.12 0.87 -0.40 118.70 126.41 1sgo s GLU 79 Ca -0.14 -1.37 -0.28 0.00 0.36 0.00 0.00 54.97 53.53 1sgo s GLU 79 Cb -0.17 -4.34 -0.00 0.00 0.26 0.00 0.00 34.13 29.88 1sgo s GLU 79 CO 0.06 -1.59 0.98 -1.17 -0.54 0.00 0.00 175.26 172.99 1sgo s LEU 80 N 2.71 4.15 0.00 2.70 2.96 0.12 -2.40 118.68 128.92 1sgo s LEU 80 Ca 0.15 1.35 0.02 0.00 -0.22 0.00 0.00 54.13 55.44 1sgo s LEU 80 Cb -0.20 -3.46 -0.01 0.00 0.50 0.00 0.00 46.19 43.02 1sgo s LEU 80 CO 0.04 -0.55 0.18 0.35 -1.32 0.00 0.00 176.35 175.05 1sgo n THR 81 N 5.03 0.00 0.40 3.68 -2.24 -0.58 -2.07 114.28 118.51 1sgo n THR 81 Ca 0.09 -1.13 0.11 0.00 -2.27 0.00 0.00 64.05 60.86 1sgo n THR 81 Cb 0.47 0.60 0.46 0.00 -2.10 0.00 0.00 70.33 69.76 1sgo n THR 81 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1sgo n GLU 82 N -0.31 0.16 0.00 -0.78 -0.00 -1.26 -1.43 120.64 117.01 1sgo n GLU 82 Ca 0.03 0.40 0.14 0.00 -0.00 0.00 0.00 57.16 57.73 1sgo n GLU 82 Cb 0.30 -1.80 0.63 0.00 -0.00 0.00 0.00 31.44 30.57 1sgo n GLU 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1sgo n ALA 83 N -1.72 2.74 0.00 -1.84 0.00 -1.26 -5.04 120.51 113.40 1sgo n ALA 83 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1sgo n ALA 83 Cb 0.21 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 1.23 0.27 3.43 0.00 0.00 -0.52 -4.69 105.19 104.91 1sgo n GLY 84 Ca 0.16 -1.87 -0.39 0.00 0.00 0.00 0.00 46.02 43.93 1sgo n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sgo s LEU 85 N 0.00 4.27 -0.28 0.99 1.02 -0.70 -1.52 118.68 122.45 1sgo s LEU 85 Ca 0.00 -0.61 -0.04 0.00 0.02 0.00 0.00 54.13 53.50 1sgo s LEU 85 Cb 0.00 -2.02 0.03 0.00 0.02 0.00 0.00 46.19 44.22 1sgo s LEU 85 CO 0.00 -0.24 0.01 -0.75 0.02 0.00 0.00 176.35 175.39 1sgo s LYS 86 N 1.61 2.77 0.02 1.70 2.20 -1.01 -0.77 119.74 126.26 1sgo s LYS 86 Ca 0.04 -1.05 -0.30 0.00 -0.36 0.00 0.00 55.97 54.30 1sgo s LYS 86 Cb -0.17 -3.19 -0.07 0.00 -1.51 0.00 0.00 37.83 32.89 1sgo s LYS 86 CO 0.07 -0.50 1.62 0.54 -0.36 0.00 0.00 175.35 176.72 1sgo s VAL 87 N 1.36 3.30 -0.09 4.02 0.11 -1.26 -0.09 120.40 127.75 1sgo s VAL 87 Ca -0.01 0.64 0.01 0.00 -2.93 0.00 0.00 61.98 59.69 1sgo s VAL 87 Cb -0.18 -3.41 0.01 0.00 -1.53 0.00 0.00 36.38 31.27 1sgo s VAL 87 CO -0.01 -0.02 0.75 1.33 -3.33 0.00 0.00 175.10 173.83 1sgo n VAL 88 N 4.94 0.46 -3.62 2.04 0.24 0.35 -4.56 118.33 118.19 1sgo n VAL 88 Ca 0.16 -0.73 -0.03 0.00 -2.04 0.00 0.00 64.34 61.69 1sgo n VAL 88 Cb 0.42 0.78 -0.02 0.00 -1.47 0.00 0.00 33.84 33.54 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 -0.50 -0.25 -0.19 7.63 0.00 -1.17 -1.34 107.32 111.49 1sgo s GLY 89 Ca 0.01 1.74 0.12 0.00 0.00 0.00 0.00 44.72 46.60 1sgo s GLY 89 CO 0.01 0.58 1.21 1.58 0.00 0.00 0.00 173.10 176.48 1sgo n TYR 90 N -0.05 0.00 -4.01 1.90 0.18 -1.26 -0.61 117.16 113.31 1sgo n TYR 90 Ca 0.03 -1.42 -0.10 0.00 1.88 0.00 0.00 57.90 58.29 1sgo n TYR 90 Cb 0.57 -0.24 -0.07 0.00 -0.38 0.00 0.00 39.34 39.22 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 -3.03 0.14 -0.17 -3.48 0.00 -1.22 -4.39 121.76 109.60 1sgo s ALA 91 Ca 0.37 -1.02 -0.29 0.00 0.00 0.00 0.00 51.96 51.02 1sgo s ALA 91 Cb 0.37 0.99 -0.03 0.00 0.00 0.00 0.00 23.12 24.44 1sgo s ALA 91 CO -0.07 -0.68 1.61 0.12 0.00 0.00 0.00 175.76 176.73 1sgo s PHE 92 N -4.01 2.12 -1.31 0.00 5.36 -1.26 -1.98 117.98 116.89 1sgo s PHE 92 Ca 0.22 0.48 -0.01 0.00 -0.96 0.00 0.00 56.93 56.67 1sgo s PHE 92 Cb 0.03 -3.92 0.00 0.00 -0.34 0.00 0.00 43.02 38.79 1sgo s PHE 92 CO 0.04 -3.11 0.09 -0.25 -1.46 0.00 0.00 175.22 170.53 1sgo n ASP 93 N 7.98 -4.74 -4.50 6.13 8.00 -1.26 -4.98 116.55 123.18 1sgo n ASP 93 Ca 0.18 -0.05 -0.42 0.00 0.71 0.00 0.00 54.79 55.21 1sgo n ASP 93 Cb 0.44 -3.82 -0.10 0.00 -0.02 0.00 0.00 41.12 37.63 1sgo n ASP 93 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1sgo s GLN 94 N -4.90 3.23 -0.14 -1.24 2.00 -0.84 -5.03 119.66 112.75 1sgo s GLN 94 Ca 0.04 -0.79 -0.01 0.00 -2.00 0.00 0.00 55.36 52.60 1sgo s GLN 94 Cb -0.02 -3.90 0.04 0.00 0.80 0.00 0.00 33.01 29.93 1sgo s GLN 94 CO 0.05 -0.64 -0.02 0.08 -0.50 0.00 0.00 175.29 174.26 1sgo s VAL 95 N 1.79 0.78 -0.11 1.34 1.01 -1.25 -3.04 120.40 120.93 1sgo s VAL 95 Ca 0.07 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 1sgo s VAL 95 Cb -0.18 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1sgo s VAL 95 CO 0.11 0.12 0.00 -0.62 0.00 0.00 0.00 175.10 174.71 1sgo s ASP 96 N 1.78 5.20 0.01 3.32 2.15 -0.45 -5.00 116.67 123.68 1sgo s ASP 96 Ca 0.02 0.09 0.28 0.00 0.43 0.00 0.00 52.55 53.37 1sgo s ASP 96 Cb -0.14 -1.58 1.10 0.00 -0.30 0.00 0.00 42.92 41.99 1sgo s ASP 96 CO -0.07 0.32 1.83 -0.67 -0.17 0.00 0.00 175.17 176.41 1sgo n ASP 97 N 2.54 0.11 -0.82 -0.34 2.03 -1.26 -3.18 116.55 115.63 1sgo n ASP 97 Ca -0.18 0.37 0.10 0.00 0.52 0.00 0.00 54.79 55.60 1sgo n ASP 97 Cb 0.53 -0.38 0.11 0.00 -0.72 0.00 0.00 41.12 40.67 1sgo n ASP 97 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1sgo n HIS 98 N -1.52 0.13 -2.43 -0.67 8.25 -1.26 -4.91 115.22 112.80 1sgo n HIS 98 Ca 0.07 -0.08 -0.43 0.00 -0.26 0.00 0.00 57.72 57.02 1sgo n HIS 98 Cb 0.34 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.43 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 -1.50 3.76 -0.33 2.41 1.43 -1.19 -4.87 118.68 118.40 1sgo s LEU 99 Ca 0.25 0.99 0.03 0.00 -1.03 0.00 0.00 54.13 54.37 1sgo s LEU 99 Cb 0.17 -3.54 0.47 0.00 0.03 0.00 0.00 46.19 43.31 1sgo s LEU 99 CO 0.24 -1.20 1.67 0.00 0.23 0.00 0.00 176.35 177.29 1sgo n GLN 100 N 7.60 1.90 -2.03 1.70 -0.00 -1.26 -4.97 117.38 120.31 1sgo n GLN 100 Ca 0.15 -2.14 -0.42 0.00 -0.00 0.00 0.00 57.00 54.60 1sgo n GLN 100 Cb 0.47 -1.84 -0.03 0.00 -0.00 0.00 0.00 30.24 28.85 1sgo n GLN 100 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1sgo s THR 101 N -2.38 2.79 0.30 -0.39 -4.23 -1.26 -4.94 115.64 105.53 1sgo s THR 101 Ca 0.41 0.62 -0.29 0.00 -1.18 0.00 0.00 61.69 61.24 1sgo s THR 101 Cb 0.34 -3.40 -0.10 0.00 1.34 0.00 0.00 72.50 70.68 1sgo s THR 101 CO 0.07 0.08 1.45 -2.16 -0.54 0.00 0.00 174.62 173.52 1sgo s PRO 102 N 0.27 4.23 0.10 3.99 0.04 -1.26 -4.58 135.00 137.79 1sgo s PRO 102 Ca 0.63 2.38 -0.13 0.00 0.04 0.00 0.00 61.00 63.91 1sgo s PRO 102 Cb -0.41 -3.06 -0.06 0.00 0.04 0.00 0.00 34.50 31.00 1sgo s PRO 102 CO 0.38 -0.43 0.48 1.52 0.04 0.00 0.00 177.00 178.99 1sgo s TYR 103 N -0.44 3.62 0.40 0.56 -0.85 -1.26 -4.30 117.35 115.08 1sgo s TYR 103 Ca 0.57 0.96 0.08 0.00 -0.52 0.00 0.00 57.07 58.15 1sgo s TYR 103 Cb -0.43 -2.29 -0.02 0.00 0.38 0.00 0.00 41.96 39.60 1sgo s TYR 103 CO 0.49 0.49 0.37 -1.01 -1.52 0.00 0.00 175.55 174.38 1sgo s HIS 104 N -1.38 2.76 -0.01 -3.49 3.76 0.05 -4.91 115.29 112.07 1sgo s HIS 104 Ca 0.34 -0.45 -0.12 0.00 -0.15 0.00 0.00 55.06 54.69 1sgo s HIS 104 Cb -0.15 -2.11 -0.06 0.00 1.11 0.00 0.00 32.58 31.37 1sgo s HIS 104 CO 0.18 -0.08 0.70 1.49 -0.85 0.00 0.00 174.74 176.19 1sgo h GLU 105 N 1.05 -0.41 -5.41 1.40 4.57 -1.87 -1.85 114.58 112.06 1sgo h GLU 105 Ca -0.42 0.03 -0.65 0.00 -1.18 0.00 0.00 59.36 57.14 1sgo h GLU 105 Cb 1.26 0.09 -0.12 0.00 -0.16 0.00 0.00 28.75 29.83 1sgo h GLU 105 CO 0.57 -0.27 -0.50 0.95 -1.18 0.00 0.00 179.01 178.58 1sgo s THR 106 N -3.13 1.42 0.21 0.32 -4.23 -1.26 -4.24 115.64 104.74 1sgo s THR 106 Ca -0.06 -1.91 0.18 0.00 -1.18 0.00 0.00 61.69 58.71 1sgo s THR 106 Cb 0.01 -2.34 0.12 0.00 1.34 0.00 0.00 72.50 71.63 1sgo s THR 106 CO 0.18 0.00 1.74 1.62 -0.54 0.00 0.00 174.62 177.63 1sgo h VAL 107 N 1.34 0.97 0.67 2.29 3.04 -1.98 -2.94 116.25 119.63 1sgo h VAL 107 Ca -0.43 -1.53 -0.03 0.00 -1.01 0.00 0.00 66.70 63.70 1sgo h VAL 107 Cb 1.30 1.91 0.01 0.00 -2.01 0.00 0.00 31.29 32.49 1sgo h VAL 107 CO 0.73 0.39 -0.32 1.88 -1.01 0.00 0.00 177.57 179.23 1sgo h TYR 108 N 0.00 -0.83 0.00 3.17 -1.99 -1.98 0.17 116.97 115.51 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 0.88 0.27 0.00 0.00 2.00 0.00 0.00 36.73 39.88 1sgo h TYR 108 CO 0.00 -0.49 0.00 0.43 -0.00 0.00 0.00 178.16 178.10 1sgo n SER 109 N -5.39 0.00 -0.08 3.88 7.64 -1.24 -1.86 113.62 116.57 1sgo n SER 109 Ca -0.12 -0.07 -0.07 0.00 1.01 0.00 0.00 58.87 59.62 1sgo n SER 109 Cb 0.37 -0.21 -0.02 0.00 -1.01 0.00 0.00 64.21 63.34 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 -1.21 1.75 0.28 -3.43 7.94 -1.08 -4.49 117.00 116.77 1sgo n LEU 110 Ca 0.08 0.41 0.18 0.00 -1.11 0.00 0.00 56.01 55.57 1sgo n LEU 110 Cb 0.10 -0.76 0.74 0.00 0.53 0.00 0.00 43.42 44.03 1sgo n LEU 110 CO 0.10 -0.35 1.01 0.25 -1.11 0.00 0.00 177.39 177.29 1sgo h LEU 111 N -0.92 0.00 -1.44 -1.96 5.85 -0.63 -1.24 115.31 114.96 1sgo h LEU 111 Ca 0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1sgo h LEU 111 Cb 0.77 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1sgo h LEU 111 CO 0.00 0.01 -0.23 -0.78 -0.34 0.00 0.00 178.44 177.10 1sgo h ASP 112 N 0.00 0.00 0.30 1.25 3.58 -1.56 -0.59 116.42 119.41 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 0.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1sgo h ASP 112 CO 0.00 0.23 -1.66 0.41 -2.88 0.00 0.00 179.24 175.35 1sgo n THR 113 N -3.64 0.19 0.03 2.25 -1.04 -0.53 -4.31 114.28 107.22 1sgo n THR 113 Ca -0.01 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.05 61.43 1sgo n THR 113 Cb 0.36 -0.07 -0.13 0.00 -1.82 0.00 0.00 70.33 68.67 1sgo n THR 113 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1sgo h LEU 114 N 0.00 0.00 -7.07 -4.42 3.38 -0.64 -3.44 115.31 103.12 1sgo h LEU 114 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 1sgo h LEU 114 Cb 0.98 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.38 1sgo h LEU 114 CO 0.00 0.99 -0.60 -0.55 0.09 0.00 0.00 178.44 178.38 1sgo s SER 115 N -6.43 0.84 0.53 -0.43 0.15 -0.31 -5.00 113.70 103.05 1sgo s SER 115 Ca -0.01 0.22 0.26 0.00 0.70 0.00 0.00 55.95 57.12 1sgo s SER 115 Cb 0.09 0.46 1.51 0.00 -1.71 0.00 0.00 66.02 66.37 1sgo s SER 115 CO 0.82 -0.27 2.12 -0.65 1.20 0.00 0.00 173.24 176.46 1sgo h PRO 116 N 8.32 0.00 -0.18 5.44 0.11 -1.84 -2.16 132.00 141.69 1sgo h PRO 116 Ca -0.15 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.88 1sgo h PRO 116 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1sgo h PRO 116 CO 0.19 0.09 -0.23 0.00 -0.21 0.00 0.00 178.00 177.84 1sgo h ALA 117 N 1.91 1.27 -0.84 -0.75 0.00 -1.93 -1.99 119.26 116.93 1sgo h ALA 117 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1sgo h ALA 117 Cb 0.23 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1sgo h ALA 117 CO 0.01 0.49 0.49 -0.92 0.00 0.00 0.00 179.25 179.32 1sgo h TYR 118 N 0.30 1.11 -0.43 0.00 3.20 -1.60 0.10 116.97 119.65 1sgo h TYR 118 Ca 0.05 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.81 1sgo h TYR 118 Cb 0.58 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1sgo h TYR 118 CO 0.01 0.74 -0.13 0.00 -1.64 0.00 0.00 178.16 177.14 1sgo h ARG 119 N 1.16 0.86 -0.41 1.82 3.08 -1.42 -1.51 114.38 117.95 1sgo h ARG 119 Ca 0.30 -0.34 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 1sgo h ARG 119 Cb -0.03 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1sgo h ARG 119 CO -0.05 0.98 -0.18 1.49 -1.07 0.00 0.00 179.97 181.13 1sgo h GLU 120 N 0.68 0.79 -0.72 0.04 4.81 -0.92 -1.10 114.58 118.16 1sgo h GLU 120 Ca 0.11 -0.30 -0.05 0.00 -0.13 0.00 0.00 59.36 58.99 1sgo h GLU 120 Cb 0.68 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 1sgo h GLU 120 CO 0.05 0.91 0.26 0.00 -0.73 0.00 0.00 179.01 179.50 1sgo h ALA 121 N 1.10 1.09 -0.76 2.92 0.00 -0.65 -1.44 119.26 121.53 1sgo h ALA 121 Ca 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1sgo h ALA 121 Cb 0.69 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1sgo h ALA 121 CO 0.05 0.63 0.42 0.35 0.00 0.00 0.00 179.25 180.71 1sgo h PHE 122 N 1.06 1.03 -0.76 0.00 3.57 -0.81 -2.19 116.94 118.84 1sgo h PHE 122 Ca 0.24 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 1sgo h PHE 122 Cb 0.25 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 1sgo h PHE 122 CO 0.02 0.72 0.46 0.78 -2.23 0.00 0.00 178.31 178.06 1sgo h GLY 123 N 1.04 1.09 0.92 2.40 0.00 -0.59 0.69 103.07 108.62 1sgo h GLY 123 Ca 0.27 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1sgo h GLY 123 CO -0.04 0.43 0.11 -0.57 0.00 0.00 0.00 176.54 176.46 1sgo h ASN 124 N 1.04 0.34 0.63 0.19 -1.24 -0.76 0.12 115.58 115.90 1sgo h ASN 124 Ca 0.27 -0.15 -0.05 0.00 0.71 0.00 0.00 56.30 57.08 1sgo h ASN 124 Cb -0.06 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 38.90 1sgo h ASN 124 CO -0.05 0.40 -0.25 0.00 -1.29 0.00 0.00 177.43 176.23 1sgo h ALA 125 N 0.96 1.16 -0.02 1.57 0.00 -1.06 -2.68 119.26 119.19 1sgo h ALA 125 Ca 0.09 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1sgo h ALA 125 Cb 0.15 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1sgo h ALA 125 CO -0.01 0.31 -0.29 1.25 0.00 0.00 0.00 179.25 180.51 1sgo h LEU 126 N 0.00 0.28 -1.76 0.00 5.85 -0.30 -3.20 115.31 116.18 1sgo h LEU 126 Ca -0.00 -0.74 0.00 0.00 0.84 0.00 0.00 57.88 57.98 1sgo h LEU 126 Cb 0.63 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1sgo h LEU 126 CO 0.03 0.98 0.00 0.17 -0.34 0.00 0.00 178.44 179.28 1sgo h LEU 127 N -0.39 0.00 -1.25 2.25 8.10 -0.67 -1.23 115.31 122.12 1sgo h LEU 127 Ca -0.03 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.93 1sgo h LEU 127 Cb 1.01 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.20 1sgo h LEU 127 CO 0.06 0.00 0.21 1.56 -4.11 0.00 0.00 178.44 176.16 1sgo h GLN 128 N 0.00 0.73 -0.16 0.17 4.20 -1.47 -1.35 115.11 117.24 1sgo h GLN 128 Ca 0.00 -0.10 -0.15 0.00 0.06 0.00 0.00 58.65 58.46 1sgo h GLN 128 Cb 0.35 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1sgo h GLN 128 CO 0.00 0.60 -0.53 0.00 -0.67 0.00 0.00 178.83 178.23 1sgo h ARG 129 N 0.73 0.45 0.41 1.46 -0.00 -1.31 -1.42 114.38 114.72 1sgo h ARG 129 Ca 0.18 -0.28 -0.02 0.00 -0.50 0.00 0.00 59.98 59.36 1sgo h ARG 129 Cb 0.13 0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.13 1sgo h ARG 129 CO -0.02 0.87 -0.20 1.25 0.00 0.00 0.00 179.97 181.87 1sgo h LEU 130 N 0.35 -0.47 -1.14 3.04 5.85 -1.26 -1.93 115.31 119.76 1sgo h LEU 130 Ca 0.01 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1sgo h LEU 130 Cb 1.04 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1sgo h LEU 130 CO 0.09 -0.28 -0.26 -0.33 -0.34 0.00 0.00 178.44 177.32 1sgo h GLU 131 N -0.62 0.00 -0.77 1.25 3.07 -1.31 -1.45 114.58 114.75 1sgo h GLU 131 Ca -0.06 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.76 1sgo h GLU 131 Cb 0.46 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.34 1sgo h GLU 131 CO 0.09 0.26 0.31 0.00 -1.40 0.00 0.00 179.01 178.27 1sgo h ALA 132 N 1.74 1.00 0.00 3.43 0.00 -1.01 -0.54 119.26 123.88 1sgo h ALA 132 Ca -0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1sgo h ALA 132 Cb 0.75 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1sgo h ALA 132 CO 0.03 0.62 -0.39 -0.07 0.00 0.00 0.00 179.25 179.44 1sgo h LEU 133 N 1.11 0.00 -0.11 0.00 3.38 -0.94 -1.43 115.31 117.32 1sgo h LEU 133 Ca 0.26 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.12 1sgo h LEU 133 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1sgo h LEU 133 CO -0.02 0.22 -0.35 0.50 0.09 0.00 0.00 178.44 178.88 1sgo h LYS 134 N 0.00 0.43 0.08 1.13 3.64 -0.94 -3.33 116.57 117.58 1sgo h LYS 134 Ca -0.01 -0.32 -0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1sgo h LYS 134 Cb 1.18 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1sgo h LYS 134 CO 0.03 0.94 -0.04 -0.09 -2.27 0.00 0.00 179.45 178.02 1sgo h ARG 135 N 0.01 -0.10 -4.76 1.90 9.65 -1.15 -3.39 114.38 116.53 1sgo h ARG 135 Ca -0.01 0.01 -0.68 0.00 -1.10 0.00 0.00 59.98 58.20 1sgo h ARG 135 Cb 0.98 0.02 -0.22 0.00 -1.39 0.00 0.00 29.97 29.36 1sgo h ARG 135 CO 0.07 0.43 -0.54 -0.51 2.80 0.00 0.00 179.97 182.23 1sgo s ASP 136 N -5.72 5.68 0.00 -3.80 1.01 -0.54 -3.99 116.67 109.31 1sgo s ASP 136 Ca -0.13 -0.52 0.00 0.00 0.71 0.00 0.00 52.55 52.61 1sgo s ASP 136 Cb -0.01 -2.03 0.00 0.00 1.01 0.00 0.00 42.92 41.89 1sgo s ASP 136 CO 0.48 -0.21 0.00 0.61 0.21 0.00 0.00 175.17 176.26 1sgo n GLY 137 N 5.01 2.52 1.03 0.21 0.00 -1.25 -4.02 105.19 108.69 1sgo n GLY 137 Ca -0.13 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.69 1sgo n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgo n GLN 138 N 0.00 2.38 0.00 1.61 -0.00 -1.26 -5.11 117.38 115.00 1sgo n GLN 138 Ca 0.00 -2.05 0.00 0.00 -0.00 0.00 0.00 57.00 54.95 1sgo n GLN 138 Cb 0.00 -1.49 0.00 0.00 -0.00 0.00 0.00 30.24 28.75 1sgo n GLN 138 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51