#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 3.11 0.14 2.12 8.01 -1.26 -4.89 118.70 125.94 1sgo s GLU 2 Ca 0.00 -1.08 -0.12 0.00 0.01 0.00 0.00 54.97 53.78 1sgo s GLU 2 Cb 0.00 -4.28 -0.01 0.00 -4.31 0.00 0.00 34.13 25.53 1sgo s GLU 2 CO 0.00 -1.70 1.53 1.79 0.01 0.00 0.00 175.26 176.89 1sgo h THR 3 N 5.94 1.27 -1.87 3.63 1.35 -2.10 -3.41 112.91 117.72 1sgo h THR 3 Ca -0.27 -1.30 -0.27 0.00 -0.55 0.00 0.00 66.41 64.03 1sgo h THR 3 Cb 1.07 1.19 -0.30 0.00 -1.73 0.00 0.00 68.15 68.38 1sgo h THR 3 CO 1.14 0.44 -0.60 1.51 -0.25 0.00 0.00 175.52 177.77 1sgo s ASP 4 N -6.56 0.90 0.26 5.36 -4.77 -1.26 -4.99 116.67 105.62 1sgo s ASP 4 Ca -0.12 -0.78 0.06 0.00 -3.30 0.00 0.00 52.55 48.41 1sgo s ASP 4 Cb 0.11 0.83 0.33 0.00 -1.09 0.00 0.00 42.92 43.10 1sgo s ASP 4 CO 0.85 -0.34 1.61 0.00 0.70 0.00 0.00 175.17 177.99 1sgo s ASN 6 N -6.89 -0.49 0.00 0.00 2.20 -1.26 -5.08 114.94 103.42 1sgo s ASN 6 Ca -0.04 0.25 0.00 0.00 -0.94 0.00 0.00 52.86 52.14 1sgo s ASN 6 Cb 0.12 1.56 0.00 0.00 -2.00 0.00 0.00 41.25 40.93 1sgo s ASN 6 CO 0.78 -0.30 0.34 -2.65 -2.94 0.00 0.00 177.10 172.33 1sgo n PRO 7 N 5.39 0.00 -3.56 3.55 -0.02 -1.26 -5.03 135.00 134.07 1sgo n PRO 7 Ca -0.00 0.33 -0.12 0.00 -2.02 0.00 0.00 63.50 61.68 1sgo n PRO 7 Cb 0.51 -1.03 -0.05 0.00 -0.02 0.00 0.00 33.50 32.91 1sgo n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sgo s MET 8 N -1.33 0.74 -0.06 -0.52 0.23 -1.26 -5.16 119.30 111.95 1sgo s MET 8 Ca 0.00 0.15 -0.16 0.00 -1.03 0.00 0.00 55.69 54.65 1sgo s MET 8 Cb 0.00 0.35 -0.05 0.00 -1.53 0.00 0.00 34.83 33.60 1sgo s MET 8 CO 0.00 -0.24 0.41 -2.00 -2.03 0.00 0.00 175.02 171.17 1sgo s GLU 9 N -1.26 4.09 0.47 3.16 2.12 -1.26 -4.97 118.70 121.05 1sgo s GLU 9 Ca -0.04 0.38 0.21 0.00 0.36 0.00 0.00 54.97 55.88 1sgo s GLU 9 Cb -0.00 -3.31 1.15 0.00 0.26 0.00 0.00 34.13 32.22 1sgo s GLU 9 CO 0.03 0.47 1.98 -0.07 -0.54 0.00 0.00 175.26 177.13 1sgo h LEU 10 N 5.58 0.00 -7.70 2.70 3.38 -2.03 -3.33 115.31 113.91 1sgo h LEU 10 Ca -0.47 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 56.84 1sgo h LEU 10 Cb 1.20 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.56 1sgo h LEU 10 CO 0.68 0.20 -0.69 -0.44 0.09 0.00 0.00 178.44 178.27 1sgo s SER 11 N -6.51 4.82 0.00 -0.43 0.01 -1.26 -4.90 113.70 105.44 1sgo s SER 11 Ca -0.03 -2.18 0.00 0.00 1.31 0.00 0.00 55.95 55.06 1sgo s SER 11 Cb 0.14 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.71 1sgo s SER 11 CO 0.64 -0.40 0.00 -1.20 0.41 0.00 0.00 173.24 172.70 1sgo n SER 12 N 4.25 1.51 -3.58 2.44 7.64 -1.25 -5.12 113.62 119.50 1sgo n SER 12 Ca 0.03 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.83 1sgo n SER 12 Cb 0.42 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.57 1sgo n SER 12 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1sgo s MET 13 N -1.96 0.51 -0.46 1.43 -2.45 -1.26 -5.10 119.30 110.01 1sgo s MET 13 Ca 0.00 0.04 -0.27 0.00 -1.25 0.00 0.00 55.69 54.21 1sgo s MET 13 Cb 0.00 0.24 -0.08 0.00 1.25 0.00 0.00 34.83 36.24 1sgo s MET 13 CO 0.00 -0.18 2.39 0.43 1.05 0.00 0.00 175.02 178.71 1sgo n SER 14 N 0.48 2.40 -3.76 1.11 7.64 -1.26 -4.91 113.62 115.32 1sgo n SER 14 Ca -0.07 -0.29 -0.14 0.00 1.01 0.00 0.00 58.87 59.37 1sgo n SER 14 Cb 0.59 -1.53 -0.15 0.00 -1.01 0.00 0.00 64.21 62.10 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 11.09 0.04 -0.36 0.23 0.00 -1.26 -5.09 107.32 111.96 1sgo s GLY 15 Ca 1.01 0.47 0.04 0.00 0.00 0.00 0.00 44.72 46.24 1sgo s GLY 15 CO 0.30 0.81 0.42 -0.12 0.00 0.00 0.00 173.10 174.52 1sgo s PHE 16 N 1.08 -0.66 -0.46 1.90 5.36 -1.26 -5.11 117.98 118.83 1sgo s PHE 16 Ca -0.09 -0.43 -0.22 0.00 -0.96 0.00 0.00 56.93 55.24 1sgo s PHE 16 Cb -0.12 -0.25 0.03 0.00 -0.34 0.00 0.00 43.02 42.34 1sgo s PHE 16 CO -0.04 -1.01 0.71 -1.21 -1.46 0.00 0.00 175.22 172.21 1sgo s GLU 17 N 1.72 3.30 0.27 10.12 8.01 -1.26 -4.90 118.70 135.97 1sgo s GLU 17 Ca 0.15 -0.34 0.04 0.00 0.01 0.00 0.00 54.97 54.83 1sgo s GLU 17 Cb -0.13 -3.97 0.38 0.00 -4.31 0.00 0.00 34.13 26.09 1sgo s GLU 17 CO -0.10 -1.11 1.66 0.93 0.01 0.00 0.00 175.26 176.65 1sgo h GLU 18 N 8.96 0.31 -2.37 1.61 3.07 -2.06 -3.33 114.58 120.79 1sgo h GLU 18 Ca -0.25 -0.16 -0.64 0.00 -0.50 0.00 0.00 59.36 57.80 1sgo h GLU 18 Cb 1.09 0.00 -0.39 0.00 -0.84 0.00 0.00 28.75 28.61 1sgo h GLU 18 CO 0.94 0.69 -0.32 0.41 -1.40 0.00 0.00 179.01 179.33 1sgo n GLY 19 N -0.10 4.87 3.57 -3.84 0.00 -1.26 -5.00 105.19 103.43 1sgo n GLY 19 Ca -0.02 -2.75 -0.36 0.00 0.00 0.00 0.00 46.02 42.90 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 -2.30 5.98 0.02 1.61 0.01 -1.25 -4.85 113.70 112.92 1sgo s SER 20 Ca 0.38 -1.42 -0.10 0.00 1.31 0.00 0.00 55.95 56.12 1sgo s SER 20 Cb 0.12 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.73 1sgo s SER 20 CO 0.01 -2.01 1.15 -0.33 0.41 0.00 0.00 173.24 172.46 1sgo h GLU 21 N 9.85 -0.30 0.00 12.44 5.08 -1.96 -3.46 114.58 136.24 1sgo h GLU 21 Ca 0.21 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1sgo h GLU 21 Cb 0.98 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1sgo h GLU 21 CO 1.34 -0.20 -0.00 -0.11 -1.00 0.00 0.00 179.01 179.05 1sgo n LEU 22 N -3.04 -0.14 -0.00 1.33 0.00 -1.26 -4.99 117.00 108.89 1sgo n LEU 22 Ca -0.04 0.39 -0.00 0.00 0.00 0.00 0.00 56.01 56.36 1sgo n LEU 22 Cb 0.13 0.33 -0.00 0.00 0.00 0.00 0.00 43.42 43.87 1sgo n LEU 22 CO 0.09 -0.73 -0.51 0.59 0.00 0.00 0.00 177.39 176.83 1sgo n ASN 23 N -3.26 2.03 0.00 1.96 5.03 -1.26 -5.03 115.26 114.72 1sgo n ASN 23 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1sgo n ASN 23 Cb 0.00 -0.01 0.00 0.00 -1.02 0.00 0.00 39.78 38.75 1sgo n ASN 23 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1sgo n GLY 24 N 3.23 0.61 3.49 7.41 0.00 -1.26 -4.98 105.19 113.69 1sgo n GLY 24 Ca -0.01 -0.01 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 1sgo n GLY 24 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sgo s PHE 25 N -2.00 3.24 -0.51 1.61 5.36 -1.26 -4.95 117.98 119.47 1sgo s PHE 25 Ca 0.00 -1.82 -0.16 0.00 -0.96 0.00 0.00 56.93 53.99 1sgo s PHE 25 Cb 0.00 -4.41 0.09 0.00 -0.34 0.00 0.00 43.02 38.36 1sgo s PHE 25 CO 0.00 -1.52 0.47 -2.00 -1.46 0.00 0.00 175.22 170.70 1sgo s GLU 26 N 2.49 3.00 0.00 10.12 2.12 -1.26 -4.50 118.70 130.67 1sgo s GLU 26 Ca 0.43 -1.45 0.00 0.00 0.36 0.00 0.00 54.97 54.31 1sgo s GLU 26 Cb -0.02 -4.20 0.00 0.00 0.26 0.00 0.00 34.13 30.17 1sgo s GLU 26 CO -0.01 -1.18 0.00 0.41 -0.54 0.00 0.00 175.26 173.94 1sgo n GLY 27 N 5.22 1.59 0.27 -1.50 0.00 -1.26 -4.81 105.19 104.70 1sgo n GLY 27 Ca -0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1sgo n GLY 27 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1sgo h THR 28 N 0.00 0.66 -0.00 2.61 2.02 -1.95 -1.75 112.91 114.50 1sgo h THR 28 Ca 0.00 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1sgo h THR 28 Cb 0.00 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1sgo h THR 28 CO 0.00 0.09 -0.58 -0.67 0.37 0.00 0.00 175.52 174.73 1sgo n ASP 29 N -3.84 0.97 -4.62 4.18 2.03 -1.26 -4.88 116.55 109.12 1sgo n ASP 29 Ca -0.02 -0.78 -0.43 0.00 0.52 0.00 0.00 54.79 54.08 1sgo n ASP 29 Cb 0.19 0.46 -0.02 0.00 -0.72 0.00 0.00 41.12 41.02 1sgo n ASP 29 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1sgo s MET 30 N -2.81 3.80 0.47 -0.67 -1.94 -0.66 -4.98 119.30 112.52 1sgo s MET 30 Ca 0.14 1.31 0.07 0.00 -1.71 0.00 0.00 55.69 55.51 1sgo s MET 30 Cb 0.18 -3.96 0.01 0.00 2.01 0.00 0.00 34.83 33.06 1sgo s MET 30 CO 0.69 -1.27 0.40 0.15 -0.01 0.00 0.00 175.02 174.98 1sgo s LYS 31 N 4.49 2.39 -0.58 2.03 1.02 -1.26 -5.01 119.74 122.82 1sgo s LYS 31 Ca 0.62 -1.74 -0.27 0.00 0.02 0.00 0.00 55.97 54.60 1sgo s LYS 31 Cb -0.19 -2.26 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 1sgo s LYS 31 CO 0.27 -0.39 1.58 -0.51 -0.92 0.00 0.00 175.35 175.38 1sgo s ASP 32 N -4.20 5.83 0.64 2.83 1.11 -1.26 -4.07 116.67 117.54 1sgo s ASP 32 Ca 0.44 0.29 0.42 0.00 0.18 0.00 0.00 52.55 53.87 1sgo s ASP 32 Cb -0.02 -2.54 2.14 0.00 1.07 0.00 0.00 42.92 43.57 1sgo s ASP 32 CO 0.26 -1.95 2.27 -0.03 1.18 0.00 0.00 175.17 176.90 1sgo h MET 33 N 12.35 0.00 -0.56 8.23 4.05 -0.86 -2.05 114.93 136.09 1sgo h MET 33 Ca -0.27 0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.25 1sgo h MET 33 Cb 1.12 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.88 1sgo h MET 33 CO 1.19 0.00 0.38 -0.09 0.23 0.00 0.00 176.91 178.62 1sgo h ARG 34 N 0.00 0.30 0.03 0.39 2.43 -1.88 0.16 114.38 115.82 1sgo h ARG 34 Ca 0.00 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1sgo h ARG 34 Cb 0.14 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1sgo h ARG 34 CO 0.00 0.20 -0.02 -0.07 -1.51 0.00 0.00 179.97 178.57 1sgo h LEU 35 N 0.31 -0.04 -1.83 3.80 3.38 -1.77 -1.24 115.31 117.93 1sgo h LEU 35 Ca 0.26 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1sgo h LEU 35 Cb 0.61 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1sgo h LEU 35 CO -0.06 0.44 -0.12 -0.33 0.09 0.00 0.00 178.44 178.46 1sgo h GLU 36 N -0.53 0.00 0.06 1.13 4.39 -1.63 -2.11 114.58 115.90 1sgo h GLU 36 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1sgo h GLU 36 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1sgo h GLU 36 CO 0.01 0.12 -0.03 0.00 -1.16 0.00 0.00 179.01 177.95 1sgo h ALA 37 N 1.88 -0.08 0.00 3.43 0.00 -0.28 -1.38 119.26 122.84 1sgo h ALA 37 Ca -0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1sgo h ALA 37 Cb 0.22 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1sgo h ALA 37 CO 0.02 -0.44 -0.32 0.93 0.00 0.00 0.00 179.25 179.43 1sgo h GLU 38 N -0.30 0.00 -0.39 0.00 5.08 -0.98 -0.38 114.58 117.62 1sgo h GLU 38 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1sgo h GLU 38 Cb 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1sgo h GLU 38 CO 0.01 0.32 0.17 0.00 -1.00 0.00 0.00 179.01 178.52 1sgo h ALA 39 N 1.68 0.50 -0.26 3.43 0.00 -1.11 -1.21 119.26 122.29 1sgo h ALA 39 Ca -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1sgo h ALA 39 Cb 0.59 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1sgo h ALA 39 CO 0.04 0.08 0.13 0.28 0.00 0.00 0.00 179.25 179.78 1sgo h VAL 40 N 0.48 1.14 -0.27 0.00 2.07 -0.68 -2.69 116.25 116.31 1sgo h VAL 40 Ca 0.13 -0.41 0.06 0.00 0.82 0.00 0.00 66.70 67.30 1sgo h VAL 40 Cb 0.15 0.94 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 1sgo h VAL 40 CO -0.01 0.15 -0.17 0.58 0.02 0.00 0.00 177.57 178.13 1sgo h VAL 41 N 0.29 0.50 -0.01 2.57 2.07 -0.85 -1.32 116.25 119.51 1sgo h VAL 41 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1sgo h VAL 41 Cb 0.12 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1sgo h VAL 41 CO -0.01 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.17 1sgo n ASN 42 N -5.34 0.10 -0.12 0.57 3.02 -0.48 -2.31 115.26 110.71 1sgo n ASN 42 Ca -0.00 -1.24 -0.24 0.00 -0.03 0.00 0.00 54.58 53.06 1sgo n ASN 42 Cb 0.25 -0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.34 1sgo n ASN 42 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1sgo n ASP 43 N -0.82 1.88 -0.49 6.41 2.03 -0.58 -4.53 116.55 120.46 1sgo n ASP 43 Ca 0.19 0.32 0.12 0.00 0.52 0.00 0.00 54.79 55.94 1sgo n ASP 43 Cb 0.10 -0.77 0.46 0.00 -0.72 0.00 0.00 41.12 40.19 1sgo n ASP 43 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1sgo n VAL 44 N -4.24 0.11 -0.17 5.18 0.24 -0.73 -4.07 118.33 114.65 1sgo n VAL 44 Ca -0.43 -0.29 0.08 0.00 -2.04 0.00 0.00 64.34 61.66 1sgo n VAL 44 Cb 0.79 0.37 0.38 0.00 -1.47 0.00 0.00 33.84 33.91 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 2.12 0.61 0.00 1.34 5.85 -1.67 -0.99 115.31 122.56 1sgo h LEU 45 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1sgo h LEU 45 Cb 0.46 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1sgo h LEU 45 CO 0.00 0.38 0.00 0.49 -0.34 0.00 0.00 178.44 178.97 1sgo n PHE 46 N -4.49 0.00 0.64 1.25 3.72 -1.26 -2.70 117.46 114.62 1sgo n PHE 46 Ca 0.11 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.62 1sgo n PHE 46 Cb 0.29 -0.38 -0.07 0.00 -0.94 0.00 0.00 39.48 38.38 1sgo n PHE 46 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1sgo n ALA 47 N -1.38 3.84 -3.75 4.37 0.00 -0.39 -4.61 120.51 118.59 1sgo n ALA 47 Ca 0.11 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1sgo n ALA 47 Cb 0.28 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.82 0.00 -0.10 0.00 0.24 -1.10 -4.52 118.33 111.04 1sgo n VAL 48 Ca 0.02 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.14 1sgo n VAL 48 Cb 0.42 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.66 1sgo n VAL 48 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1sgo n ASN 49 N -1.10 1.80 -3.85 -1.34 3.02 -0.49 -4.83 115.26 108.48 1sgo n ASN 49 Ca 0.00 -0.05 -0.12 0.00 -0.03 0.00 0.00 54.58 54.38 1sgo n ASN 49 Cb 0.00 -0.35 -0.10 0.00 -0.61 0.00 0.00 39.78 38.72 1sgo n ASN 49 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1sgo s ASN 50 N -6.51 -0.03 -0.30 6.41 2.47 -0.79 -5.04 114.94 111.15 1sgo s ASN 50 Ca -0.30 -0.08 -0.11 0.00 0.42 0.00 0.00 52.86 52.78 1sgo s ASN 50 Cb 0.08 0.25 0.15 0.00 -1.45 0.00 0.00 41.25 40.28 1sgo s ASN 50 CO 0.66 -0.33 0.81 -0.32 -3.72 0.00 0.00 177.10 174.19 1sgo s MET 51 N -1.16 0.44 0.14 0.43 1.75 -1.26 -0.17 119.30 119.46 1sgo s MET 51 Ca -0.12 1.06 -0.24 0.00 -1.25 0.00 0.00 55.69 55.13 1sgo s MET 51 Cb -0.06 0.63 0.07 0.00 2.84 0.00 0.00 34.83 38.31 1sgo s MET 51 CO 0.02 -0.19 0.74 -0.59 -0.65 0.00 0.00 175.02 174.34 1sgo s PHE 52 N 2.71 -0.38 0.62 4.11 -0.71 -0.69 -4.89 117.98 118.74 1sgo s PHE 52 Ca -0.02 0.13 -0.19 0.00 -1.04 0.00 0.00 56.93 55.82 1sgo s PHE 52 Cb -0.10 0.59 -0.02 0.00 -1.21 0.00 0.00 43.02 42.28 1sgo s PHE 52 CO -0.18 -0.83 1.27 0.54 -1.34 0.00 0.00 175.22 174.68 1sgo s VAL 53 N -3.56 2.24 0.59 -2.49 0.11 -1.26 -0.49 120.40 115.54 1sgo s VAL 53 Ca 0.05 0.15 -0.19 0.00 -2.93 0.00 0.00 61.98 59.06 1sgo s VAL 53 Cb -0.02 -3.06 -0.03 0.00 -1.53 0.00 0.00 36.38 31.74 1sgo s VAL 53 CO -0.07 -0.03 1.26 -0.44 -3.33 0.00 0.00 175.10 172.50 1sgo s SER 54 N -1.41 5.08 -0.00 3.54 0.01 -0.15 -4.55 113.70 116.22 1sgo s SER 54 Ca 0.80 2.54 0.08 0.00 1.31 0.00 0.00 55.95 60.67 1sgo s SER 54 Cb -0.36 -2.61 -0.09 0.00 0.21 0.00 0.00 66.02 63.17 1sgo s SER 54 CO 0.38 -1.68 0.28 1.17 0.41 0.00 0.00 173.24 173.80 1sgo n LYS 55 N -1.50 3.18 -0.36 12.44 3.00 -1.26 -4.54 118.16 129.12 1sgo n LYS 55 Ca 0.13 -0.02 0.09 0.00 -0.00 0.00 0.00 58.31 58.51 1sgo n LYS 55 Cb 0.48 -0.96 0.26 0.00 0.00 0.00 0.00 35.03 34.82 1sgo n LYS 55 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1sgo n SER 56 N -1.36 3.75 0.00 3.14 7.64 -1.26 -4.96 113.62 120.56 1sgo n SER 56 Ca 0.01 -2.17 0.00 0.00 1.01 0.00 0.00 58.87 57.72 1sgo n SER 56 Cb 0.14 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 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 0.97 0.00 -4.13 -3.43 4.32 -1.26 -5.14 117.00 108.33 1sgo n LEU 57 Ca 0.20 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 56.08 1sgo n LEU 57 Cb 0.63 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.32 1sgo n LEU 57 CO 0.15 0.00 -0.39 0.00 -1.22 0.00 0.00 177.39 175.93 1sgo s ARG 58 N 1.28 0.72 -0.61 3.23 1.70 -1.26 -5.06 118.95 118.95 1sgo s ARG 58 Ca 0.00 -1.16 -0.03 0.00 -0.47 0.00 0.00 55.73 54.07 1sgo s ARG 58 Cb 0.00 -0.19 0.16 0.00 -0.57 0.00 0.00 34.95 34.35 1sgo s ARG 58 CO 0.00 -0.01 0.43 0.00 -1.08 0.00 0.00 175.30 174.64 1sgo s ALA 60 N 0.03 4.04 0.00 0.00 0.00 -0.50 -4.86 121.76 120.46 1sgo s ALA 60 Ca 0.16 -3.37 0.00 0.00 0.00 0.00 0.00 51.96 48.75 1sgo s ALA 60 Cb -0.20 -4.06 0.00 0.00 0.00 0.00 0.00 23.12 18.86 1sgo s ALA 60 CO -0.04 -2.72 0.00 -0.25 0.00 0.00 0.00 175.76 172.75 1sgo n ASP 61 N 5.39 0.00 0.12 0.00 9.92 -1.26 -2.48 116.55 128.24 1sgo n ASP 61 Ca 0.34 0.00 0.07 0.00 -0.53 0.00 0.00 54.79 54.67 1sgo n ASP 61 Cb 0.43 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.93 1sgo n ASP 61 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1sgo h ASP 62 N 0.00 0.00 -3.41 -2.24 3.58 -1.90 0.21 116.42 112.67 1sgo h ASP 62 Ca 0.00 0.00 -0.63 0.00 0.42 0.00 0.00 57.03 56.82 1sgo h ASP 62 Cb 0.00 0.00 -0.19 0.00 1.72 0.00 0.00 39.33 40.86 1sgo h ASP 62 CO 0.00 0.24 -0.60 0.54 -2.88 0.00 0.00 179.24 176.55 1sgo s VAL 63 N -3.14 4.50 -0.10 2.25 0.11 -1.04 -3.77 120.40 119.22 1sgo s VAL 63 Ca 0.02 -0.13 -0.01 0.00 -2.93 0.00 0.00 61.98 58.93 1sgo s VAL 63 Cb 0.08 -3.04 0.03 0.00 -1.53 0.00 0.00 36.38 31.92 1sgo s VAL 63 CO 0.76 0.43 -0.02 0.00 -3.33 0.00 0.00 175.10 172.93 1sgo s ALA 64 N 0.74 0.96 -0.00 1.54 0.00 0.47 -1.41 121.76 124.06 1sgo s ALA 64 Ca 0.03 -0.34 -0.22 0.00 0.00 0.00 0.00 51.96 51.42 1sgo s ALA 64 Cb -0.14 -0.85 -0.05 0.00 0.00 0.00 0.00 23.12 22.08 1sgo s ALA 64 CO 0.02 -0.53 0.67 0.71 0.00 0.00 0.00 175.76 176.63 1sgo s TYR 65 N 1.86 3.68 0.03 0.00 1.51 -1.26 -0.40 117.35 122.77 1sgo s TYR 65 Ca 0.04 1.29 0.05 0.00 -1.01 0.00 0.00 57.07 57.44 1sgo s TYR 65 Cb -0.13 -2.71 -0.02 0.00 -0.11 0.00 0.00 41.96 38.99 1sgo s TYR 65 CO -0.07 0.27 -0.14 0.42 -1.11 0.00 0.00 175.55 174.93 1sgo s ILE 66 N 0.06 1.11 -0.10 2.71 1.01 0.31 -0.98 121.20 125.31 1sgo s ILE 66 Ca 0.34 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 1sgo s ILE 66 Cb -0.19 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 1sgo s ILE 66 CO 0.19 0.05 0.03 0.20 0.00 0.00 0.00 174.94 175.41 1sgo s ASN 67 N -1.01 5.49 -0.03 3.58 0.01 0.35 -0.38 114.94 122.94 1sgo s ASN 67 Ca 0.02 0.20 0.02 0.00 -0.71 0.00 0.00 52.86 52.39 1sgo s ASN 67 Cb -0.07 -1.63 0.01 0.00 0.41 0.00 0.00 41.25 39.96 1sgo s ASN 67 CO 0.01 0.37 -0.07 0.54 -1.51 0.00 0.00 177.10 176.43 1sgo s VAL 68 N -0.80 0.68 -0.34 1.60 0.11 -0.66 -1.71 120.40 119.29 1sgo s VAL 68 Ca 0.12 -0.28 0.01 0.00 -2.93 0.00 0.00 61.98 58.91 1sgo s VAL 68 Cb -0.12 -0.63 0.09 0.00 -1.53 0.00 0.00 36.38 34.19 1sgo s VAL 68 CO 0.03 0.23 0.07 -0.70 -3.33 0.00 0.00 175.10 171.39 1sgo s GLU 69 N 0.40 1.83 0.90 1.54 2.12 0.76 -1.25 118.70 125.00 1sgo s GLU 69 Ca -0.06 -1.72 -0.15 0.00 0.36 0.00 0.00 54.97 53.40 1sgo s GLU 69 Cb -0.10 -3.27 0.22 0.00 0.26 0.00 0.00 34.13 31.24 1sgo s GLU 69 CO 0.01 -0.89 0.82 0.25 -0.54 0.00 0.00 175.26 174.91 1sgo n THR 70 N 4.41 0.00 0.22 -1.70 -2.24 -0.63 -1.39 114.28 112.95 1sgo n THR 70 Ca -0.02 -0.38 0.12 0.00 -2.27 0.00 0.00 64.05 61.50 1sgo n THR 70 Cb 0.42 -1.20 0.26 0.00 -2.10 0.00 0.00 70.33 67.70 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 -0.06 -0.78 1.57 -1.88 -0.18 116.57 115.24 1sgo h LYS 71 Ca -0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1sgo h LYS 71 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1sgo h LYS 71 CO 0.20 0.06 0.00 0.39 -0.57 0.00 0.00 179.45 179.53 1sgo n GLU 72 N -3.12 1.33 -2.86 3.15 4.71 -1.26 -4.90 120.64 117.69 1sgo n GLU 72 Ca 0.03 -0.49 -0.18 0.00 -0.01 0.00 0.00 57.16 56.51 1sgo n GLU 72 Cb 0.51 -1.38 0.03 0.00 -1.01 0.00 0.00 31.44 29.58 1sgo n GLU 72 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1sgo n ARG 73 N -0.33 -3.88 -3.23 3.49 1.74 -0.08 -5.00 116.66 109.37 1sgo n ARG 73 Ca 0.17 0.72 -0.39 0.00 -0.77 0.00 0.00 57.85 57.58 1sgo n ARG 73 Cb 0.20 -5.17 -0.06 0.00 -1.02 0.00 0.00 32.46 26.41 1sgo n ARG 73 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1sgo s ASN 74 N -2.78 6.86 -0.10 0.55 0.01 -1.26 -4.79 114.94 113.44 1sgo s ASN 74 Ca 0.24 1.03 -0.13 0.00 -0.71 0.00 0.00 52.86 53.28 1sgo s ASN 74 Cb -0.11 -2.34 -0.05 0.00 0.41 0.00 0.00 41.25 39.17 1sgo s ASN 74 CO 0.30 0.03 0.32 -0.13 -1.51 0.00 0.00 177.10 176.11 1sgo s ARG 75 N 0.26 4.01 0.01 -0.60 3.00 -1.26 -1.60 118.95 122.77 1sgo s ARG 75 Ca 0.30 0.19 0.05 0.00 0.00 0.00 0.00 55.73 56.26 1sgo s ARG 75 Cb -0.17 -3.32 -0.01 0.00 0.00 0.00 0.00 34.95 31.45 1sgo s ARG 75 CO 0.15 0.48 -0.14 0.71 0.00 0.00 0.00 175.30 176.49 1sgo s TYR 76 N -0.29 1.26 -0.26 -0.53 2.02 -0.38 -2.08 117.35 117.08 1sgo s TYR 76 Ca 0.19 -0.28 -0.08 0.00 -0.37 0.00 0.00 57.07 56.53 1sgo s TYR 76 Cb -0.14 -0.79 -0.03 0.00 -0.40 0.00 0.00 41.96 40.60 1sgo s TYR 76 CO 0.07 0.00 0.11 0.00 -1.57 0.00 0.00 175.55 174.16 1sgo s LEU 78 N 1.65 3.03 -0.58 0.00 1.43 0.48 -0.64 118.68 124.06 1sgo s LEU 78 Ca 0.06 -0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 52.86 1sgo s LEU 78 Cb -0.15 -1.69 0.14 0.00 0.03 0.00 0.00 46.19 44.52 1sgo s LEU 78 CO 0.06 0.24 0.52 -0.70 0.23 0.00 0.00 176.35 176.71 1sgo s GLU 79 N -0.10 3.02 -0.28 1.70 2.12 0.10 -0.53 118.70 124.74 1sgo s GLU 79 Ca 0.00 -1.85 -0.23 0.00 0.36 0.00 0.00 54.97 53.26 1sgo s GLU 79 Cb -0.13 -4.27 -0.01 0.00 0.26 0.00 0.00 34.13 29.98 1sgo s GLU 79 CO 0.03 -1.31 0.75 -1.17 -0.54 0.00 0.00 175.26 173.03 1sgo s LEU 80 N 1.32 4.08 0.00 2.70 2.96 0.46 -1.47 118.68 128.73 1sgo s LEU 80 Ca 0.06 0.77 0.02 0.00 -0.22 0.00 0.00 54.13 54.75 1sgo s LEU 80 Cb -0.26 -3.04 -0.01 0.00 0.50 0.00 0.00 46.19 43.38 1sgo s LEU 80 CO 0.01 -0.52 0.07 0.35 -1.32 0.00 0.00 176.35 174.93 1sgo n THR 81 N 5.37 0.00 0.24 3.68 -2.24 -0.18 -0.39 114.28 120.76 1sgo n THR 81 Ca 0.03 -0.54 0.17 0.00 -2.27 0.00 0.00 64.05 61.44 1sgo n THR 81 Cb 0.48 0.28 0.88 0.00 -2.10 0.00 0.00 70.33 69.87 1sgo n THR 81 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1sgo h GLU 82 N 0.00 0.00 -0.04 -0.78 4.11 -1.96 -0.99 114.58 114.92 1sgo h GLU 82 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1sgo h GLU 82 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1sgo h GLU 82 CO 0.08 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.16 1sgo n ALA 83 N -2.28 2.58 0.00 1.06 0.00 -1.26 -5.03 120.51 115.57 1sgo n ALA 83 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1sgo n ALA 83 Cb 0.26 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 1.15 0.32 3.46 0.00 0.00 -0.38 -4.52 105.19 105.23 1sgo n GLY 84 Ca 0.19 -1.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.01 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 3.38 0.12 0.99 1.02 -0.50 -1.01 118.68 122.69 1sgo s LEU 85 Ca 0.00 -0.18 0.08 0.00 0.02 0.00 0.00 54.13 54.05 1sgo s LEU 85 Cb 0.00 -1.88 -0.04 0.00 0.02 0.00 0.00 46.19 44.29 1sgo s LEU 85 CO 0.00 0.03 -0.12 -0.75 0.02 0.00 0.00 176.35 175.53 1sgo s LYS 86 N 1.22 2.04 -0.22 1.70 2.20 -0.54 0.01 119.74 126.14 1sgo s LYS 86 Ca 0.04 -1.10 -0.13 0.00 -0.36 0.00 0.00 55.97 54.42 1sgo s LYS 86 Cb -0.14 -2.24 -0.05 0.00 -1.51 0.00 0.00 37.83 33.89 1sgo s LYS 86 CO 0.02 0.49 0.26 0.08 -0.36 0.00 0.00 175.35 175.84 1sgo s VAL 87 N -1.29 5.29 -0.77 4.02 1.01 -1.26 0.01 120.40 127.41 1sgo s VAL 87 Ca 0.21 0.41 0.07 0.00 0.00 0.00 0.00 61.98 62.67 1sgo s VAL 87 Cb -0.11 -3.60 0.12 0.00 0.00 0.00 0.00 36.38 32.79 1sgo s VAL 87 CO 0.13 0.30 0.92 1.33 0.00 0.00 0.00 175.10 177.78 1sgo n VAL 88 N 4.32 0.44 0.00 2.92 0.24 0.19 -3.96 118.33 122.48 1sgo n VAL 88 Ca -0.12 -0.72 0.00 0.00 -2.04 0.00 0.00 64.34 61.46 1sgo n VAL 88 Cb 0.52 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 33.75 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 0.29 2.19 2.58 7.63 0.00 -1.23 -0.37 105.19 116.29 1sgo n GLY 89 Ca 0.06 -0.96 -0.27 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.83 2.25 -3.53 1.61 4.11 -1.26 -0.42 117.16 119.10 1sgo n TYR 90 Ca 0.00 -4.01 -0.02 0.00 -0.00 0.00 0.00 57.90 53.87 1sgo n TYR 90 Cb 0.00 -0.43 0.01 0.00 -0.00 0.00 0.00 39.34 38.92 1sgo n TYR 90 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1sgo n ALA 91 N 1.69 -0.97 -2.51 -3.48 0.00 -0.88 -4.77 120.51 109.58 1sgo n ALA 91 Ca 0.25 -0.44 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 1sgo n ALA 91 Cb 0.41 0.28 -0.07 0.00 0.00 0.00 0.00 19.45 20.07 1sgo n ALA 91 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1sgo s PHE 92 N -4.96 3.09 -0.77 0.00 5.36 -1.26 -3.97 117.98 115.47 1sgo s PHE 92 Ca 0.08 -0.14 -0.01 0.00 -0.96 0.00 0.00 56.93 55.91 1sgo s PHE 92 Cb -0.01 -3.23 -0.00 0.00 -0.34 0.00 0.00 43.02 39.43 1sgo s PHE 92 CO 0.03 -0.83 0.69 -0.25 -1.46 0.00 0.00 175.22 173.40 1sgo n ASP 93 N 6.10 -7.13 -3.49 6.13 8.00 -1.26 -5.03 116.55 119.86 1sgo n ASP 93 Ca -0.03 -0.29 -0.21 0.00 0.71 0.00 0.00 54.79 54.97 1sgo n ASP 93 Cb 0.48 -4.54 -0.13 0.00 -0.02 0.00 0.00 41.12 36.91 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 -3.49 0.22 -0.24 -1.24 2.00 -1.26 -5.02 119.66 110.63 1sgo s GLN 94 Ca 0.02 -0.12 -0.07 0.00 -2.00 0.00 0.00 55.36 53.19 1sgo s GLN 94 Cb -0.00 -1.10 -0.03 0.00 0.80 0.00 0.00 33.01 32.67 1sgo s GLN 94 CO 0.78 -0.86 0.07 0.08 -0.50 0.00 0.00 175.29 174.86 1sgo s VAL 95 N 2.26 4.40 -0.11 1.34 1.01 -1.26 -3.85 120.40 124.19 1sgo s VAL 95 Ca 0.08 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1sgo s VAL 95 Cb -0.15 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.20 1sgo s VAL 95 CO -0.24 0.35 -0.16 -0.62 0.00 0.00 0.00 175.10 174.44 1sgo s ASP 96 N 1.43 2.49 0.00 3.32 2.15 0.50 -5.00 116.67 121.56 1sgo s ASP 96 Ca 0.05 -0.44 0.18 0.00 0.43 0.00 0.00 52.55 52.77 1sgo s ASP 96 Cb -0.15 -1.12 0.93 0.00 -0.30 0.00 0.00 42.92 42.28 1sgo s ASP 96 CO 0.04 0.02 1.51 0.47 -0.17 0.00 0.00 175.17 177.04 1sgo n ASP 97 N 4.21 0.00 0.22 -0.34 8.00 -1.26 -1.49 116.55 125.88 1sgo n ASP 97 Ca -0.19 -0.10 0.13 0.00 0.71 0.00 0.00 54.79 55.35 1sgo n ASP 97 Cb 0.51 -0.22 0.34 0.00 -0.02 0.00 0.00 41.12 41.73 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 0.00 0.00 -3.60 1.24 3.86 -1.94 -3.41 115.15 111.30 1sgo h HIS 98 Ca 0.00 0.00 -0.70 0.00 -1.16 0.00 0.00 60.37 58.51 1sgo h HIS 98 Cb 0.13 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 28.36 1sgo h HIS 98 CO 0.00 0.00 -0.51 -0.51 0.86 0.00 0.00 177.93 177.77 1sgo s LEU 99 N -5.92 4.61 -0.25 2.43 1.02 -0.56 -4.92 118.68 115.10 1sgo s LEU 99 Ca 0.06 -0.85 0.12 0.00 0.02 0.00 0.00 54.13 53.48 1sgo s LEU 99 Cb 0.07 -2.04 0.46 0.00 0.02 0.00 0.00 46.19 44.70 1sgo s LEU 99 CO 0.62 -0.34 1.18 0.00 0.02 0.00 0.00 176.35 177.83 1sgo n GLN 100 N 5.01 2.61 -1.57 1.70 0.00 -1.26 -4.66 117.38 119.22 1sgo n GLN 100 Ca -0.12 -3.72 -0.46 0.00 0.00 0.00 0.00 57.00 52.70 1sgo n GLN 100 Cb 0.47 -1.86 -0.02 0.00 0.00 0.00 0.00 30.24 28.82 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 -0.69 1.75 -1.64 -0.39 -2.24 -1.25 -4.80 114.28 105.01 1sgo n THR 101 Ca 0.29 -0.44 -0.44 0.00 -2.27 0.00 0.00 64.05 61.19 1sgo n THR 101 Cb 0.89 -0.85 -0.02 0.00 -2.10 0.00 0.00 70.33 68.26 1sgo n THR 101 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1sgo n PRO 102 N 0.98 1.72 -1.85 -0.78 -0.04 -1.26 -4.15 135.00 129.63 1sgo n PRO 102 Ca 0.12 0.61 -0.42 0.00 -0.04 0.00 0.00 63.50 63.76 1sgo n PRO 102 Cb 0.30 -2.11 -0.03 0.00 -0.04 0.00 0.00 33.50 31.61 1sgo n PRO 102 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1sgo s TYR 103 N -0.81 2.92 0.01 0.54 1.51 -1.26 -4.68 117.35 115.58 1sgo s TYR 103 Ca 0.60 0.48 -0.07 0.00 -1.01 0.00 0.00 57.07 57.07 1sgo s TYR 103 Cb -0.66 -4.01 -0.05 0.00 -0.11 0.00 0.00 41.96 37.13 1sgo s TYR 103 CO 0.58 -3.83 0.29 -1.01 -1.11 0.00 0.00 175.55 170.47 1sgo s HIS 104 N 1.34 3.58 0.13 2.71 3.76 0.10 -4.87 115.29 122.05 1sgo s HIS 104 Ca 0.72 0.61 -0.14 0.00 -0.15 0.00 0.00 55.06 56.11 1sgo s HIS 104 Cb -0.46 -2.02 -0.02 0.00 1.11 0.00 0.00 32.58 31.20 1sgo s HIS 104 CO 0.32 0.60 1.55 1.49 -0.85 0.00 0.00 174.74 177.85 1sgo h GLU 105 N 3.99 0.78 -5.17 1.40 4.57 -1.87 -1.32 114.58 116.97 1sgo h GLU 105 Ca -0.50 -0.28 -0.37 0.00 -1.18 0.00 0.00 59.36 57.02 1sgo h GLU 105 Cb 1.20 -0.05 -0.14 0.00 -0.16 0.00 0.00 28.75 29.59 1sgo h GLU 105 CO 0.66 0.89 -0.69 0.95 -1.18 0.00 0.00 179.01 179.63 1sgo s THR 106 N -4.86 1.24 0.27 0.32 -4.23 -1.26 -4.73 115.64 102.38 1sgo s THR 106 Ca -0.13 -2.08 0.19 0.00 -1.18 0.00 0.00 61.69 58.50 1sgo s THR 106 Cb 0.10 -2.08 0.15 0.00 1.34 0.00 0.00 72.50 72.01 1sgo s THR 106 CO 0.81 -0.55 1.82 1.62 -0.54 0.00 0.00 174.62 177.78 1sgo h VAL 107 N 2.61 0.92 -0.10 2.29 3.04 -1.98 -1.94 116.25 121.10 1sgo h VAL 107 Ca -0.38 -1.29 -0.01 0.00 -1.01 0.00 0.00 66.70 64.02 1sgo h VAL 107 Cb 1.21 1.76 -0.00 0.00 -2.01 0.00 0.00 31.29 32.25 1sgo h VAL 107 CO 0.64 0.32 0.02 1.88 -1.01 0.00 0.00 177.57 179.43 1sgo h TYR 108 N 0.00 0.18 0.00 3.17 0.05 -1.99 0.11 116.97 118.49 1sgo h TYR 108 Ca -0.00 -0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.67 1sgo h TYR 108 Cb 0.74 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.42 1sgo h TYR 108 CO 0.00 0.35 -0.39 1.03 -1.05 0.00 0.00 178.16 178.10 1sgo h SER 109 N -0.04 0.00 0.31 3.88 0.87 -1.94 -2.35 113.55 114.28 1sgo h SER 109 Ca 0.03 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 1sgo h SER 109 Cb 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1sgo h SER 109 CO 0.00 0.39 -0.15 0.25 -0.53 0.00 0.00 176.83 176.79 1sgo h LEU 110 N 0.00 -0.35 -2.21 2.23 5.85 -1.03 -3.06 115.31 116.75 1sgo h LEU 110 Ca -0.00 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1sgo h LEU 110 Cb 0.72 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 1sgo h LEU 110 CO 0.05 0.13 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.15 1sgo h LEU 111 N -1.03 0.00 -1.20 2.25 -0.00 -1.03 0.08 115.31 114.38 1sgo h LEU 111 Ca -0.04 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.77 1sgo h LEU 111 Cb 0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.09 1sgo h LEU 111 CO 0.07 0.06 -0.16 -0.78 -0.00 0.00 0.00 178.44 177.63 1sgo h ASP 112 N 0.00 0.35 0.66 -0.43 3.58 -1.45 0.23 116.42 119.35 1sgo h ASP 112 Ca -0.00 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1sgo h ASP 112 Cb 0.18 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.14 1sgo h ASP 112 CO 0.01 0.53 -0.35 0.35 -2.88 0.00 0.00 179.24 176.90 1sgo n THR 113 N -4.21 0.00 -0.03 2.25 -2.24 -0.02 -4.24 114.28 105.80 1sgo n THR 113 Ca -0.00 -0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.75 1sgo n THR 113 Cb 0.32 0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 68.51 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 -1.51 0.00 -3.80 3.22 4.77 -0.92 -5.00 117.00 113.77 1sgo n LEU 114 Ca 0.06 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.85 1sgo n LEU 114 Cb 0.34 0.13 -0.17 0.00 -2.33 0.00 0.00 43.42 41.40 1sgo n LEU 114 CO 0.33 0.13 -0.37 -0.94 -1.33 0.00 0.00 177.39 175.21 1sgo s SER 115 N -3.64 0.79 0.42 -1.43 1.04 0.76 -5.02 113.70 106.61 1sgo s SER 115 Ca -0.03 -0.03 0.22 0.00 0.48 0.00 0.00 55.95 56.59 1sgo s SER 115 Cb 0.02 -0.27 0.76 0.00 0.10 0.00 0.00 66.02 66.63 1sgo s SER 115 CO 0.27 -0.13 1.76 1.55 0.98 0.00 0.00 173.24 177.67 1sgo h PRO 116 N 7.60 0.00 -0.00 4.02 0.13 -1.84 -3.08 132.00 138.83 1sgo h PRO 116 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1sgo h PRO 116 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1sgo h PRO 116 CO 0.39 0.26 -0.06 0.00 -0.23 0.00 0.00 178.00 178.36 1sgo n ALA 117 N -2.22 2.60 0.07 -0.56 0.00 -1.26 -3.91 120.51 115.23 1sgo n ALA 117 Ca 0.01 -0.19 -0.13 0.00 0.00 0.00 0.00 53.44 53.13 1sgo n ALA 117 Cb 0.48 -1.42 -0.08 0.00 0.00 0.00 0.00 19.45 18.43 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 0.17 -0.11 0.00 0.00 3.20 -1.77 -0.07 116.97 118.40 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 0.34 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1sgo h TYR 118 CO 0.00 0.04 -0.19 0.00 -1.64 0.00 0.00 178.16 176.36 1sgo h ARG 119 N -0.23 0.00 0.20 1.82 2.47 -1.80 -2.41 114.38 114.43 1sgo h ARG 119 Ca -0.01 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.39 1sgo h ARG 119 Cb 0.20 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.54 1sgo h ARG 119 CO 0.02 0.19 -1.42 1.49 0.56 0.00 0.00 179.97 180.81 1sgo h GLU 120 N 0.00 0.43 -0.01 0.04 4.81 -1.64 -3.21 114.58 115.00 1sgo h GLU 120 Ca -0.00 -0.73 0.00 0.00 -0.13 0.00 0.00 59.36 58.50 1sgo h GLU 120 Cb 0.54 0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1sgo h GLU 120 CO 0.03 1.34 -0.01 0.00 -0.73 0.00 0.00 179.01 179.64 1sgo n ALA 121 N -2.66 2.65 -0.36 2.92 0.00 -0.07 -3.93 120.51 119.06 1sgo n ALA 121 Ca -0.14 -0.29 0.02 0.00 0.00 0.00 0.00 53.44 53.02 1sgo n ALA 121 Cb 1.07 -1.38 0.17 0.00 0.00 0.00 0.00 19.45 19.31 1sgo n ALA 121 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1sgo h PHE 122 N 0.90 1.16 -0.25 0.00 3.57 -1.43 -1.12 116.94 119.76 1sgo h PHE 122 Ca 0.00 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 1sgo h PHE 122 Cb 0.21 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1sgo h PHE 122 CO 0.00 0.60 -0.03 0.78 -2.23 0.00 0.00 178.31 177.44 1sgo h GLY 123 N 1.14 0.41 1.25 2.40 0.00 -1.80 -2.47 103.07 104.00 1sgo h GLY 123 Ca 0.42 -0.23 -0.09 0.00 0.00 0.00 0.00 47.33 47.43 1sgo h GLY 123 CO -0.17 0.22 -0.03 3.43 0.00 0.00 0.00 176.54 179.99 1sgo h ASN 124 N 0.37 0.88 -0.49 0.19 4.21 -1.47 -1.79 115.58 117.47 1sgo h ASN 124 Ca 0.08 -0.24 -0.07 0.00 1.21 0.00 0.00 56.30 57.28 1sgo h ASN 124 Cb 0.29 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.24 1sgo h ASN 124 CO 0.01 0.96 0.06 0.00 -1.29 0.00 0.00 177.43 177.16 1sgo h ALA 125 N 1.13 1.07 0.28 -0.83 0.00 -1.14 -1.62 119.26 118.16 1sgo h ALA 125 Ca 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1sgo h ALA 125 Cb 0.54 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1sgo h ALA 125 CO 0.03 0.59 -0.14 -0.07 0.00 0.00 0.00 179.25 179.67 1sgo h LEU 126 N 0.84 -0.32 -2.01 0.00 4.07 -1.08 -2.90 115.31 113.91 1sgo h LEU 126 Ca 0.17 -0.14 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 1sgo h LEU 126 Cb 0.42 0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.24 1sgo h LEU 126 CO 0.01 -0.04 -0.05 0.17 -1.08 0.00 0.00 178.44 177.46 1sgo h LEU 127 N -0.61 0.00 -1.37 1.67 8.10 -1.31 -1.88 115.31 119.91 1sgo h LEU 127 Ca -0.04 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.91 1sgo h LEU 127 Cb 0.44 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.65 1sgo h LEU 127 CO 0.06 0.05 -0.21 -0.61 -4.11 0.00 0.00 178.44 173.62 1sgo h GLN 128 N 0.00 0.00 -0.78 0.17 5.75 -1.08 -2.28 115.11 116.88 1sgo h GLN 128 Ca -0.00 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.58 1sgo h GLN 128 Cb 0.33 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.81 1sgo h GLN 128 CO 0.01 0.21 0.45 0.00 -2.65 0.00 0.00 178.83 176.85 1sgo h ARG 129 N 0.00 0.77 0.10 1.69 -0.00 -1.29 0.28 114.38 115.94 1sgo h ARG 129 Ca -0.00 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.98 59.29 1sgo h ARG 129 Cb 0.63 -0.17 0.02 0.00 0.00 0.00 0.00 29.97 30.44 1sgo h ARG 129 CO 0.03 0.51 -0.61 -0.07 0.00 0.00 0.00 179.97 179.83 1sgo h LEU 130 N 0.80 0.34 -0.52 3.04 4.07 -1.66 -3.25 115.31 118.13 1sgo h LEU 130 Ca 0.36 -0.96 -0.01 0.00 0.08 0.00 0.00 57.88 57.35 1sgo h LEU 130 Cb 0.27 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 41.87 1sgo h LEU 130 CO -0.21 1.29 0.28 -0.08 -1.08 0.00 0.00 178.44 178.64 1sgo h GLU 131 N -0.54 0.74 -0.25 1.13 4.81 -1.21 -2.33 114.58 116.93 1sgo h GLU 131 Ca -0.11 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 58.99 1sgo h GLU 131 Cb 1.48 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 1sgo h GLU 131 CO 0.11 0.58 -0.04 0.00 -0.73 0.00 0.00 179.01 178.93 1sgo h ALA 132 N 1.12 1.48 0.00 2.92 0.00 -0.60 0.36 119.26 124.54 1sgo h ALA 132 Ca 0.18 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1sgo h ALA 132 Cb 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1sgo h ALA 132 CO -0.03 0.37 -0.49 1.25 0.00 0.00 0.00 179.25 180.35 1sgo h LEU 133 N 0.37 0.00 0.00 0.00 5.85 -1.47 -0.50 115.31 119.56 1sgo h LEU 133 Ca 0.08 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.65 1sgo h LEU 133 Cb 0.30 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1sgo h LEU 133 CO 0.01 0.49 -1.29 0.11 -0.34 0.00 0.00 178.44 177.43 1sgo h LYS 134 N 0.00 0.00 -0.15 1.25 1.57 -0.86 -3.35 116.57 115.03 1sgo h LYS 134 Ca -0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1sgo h LYS 134 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1sgo h LYS 134 CO 0.06 0.31 -0.44 -0.09 -0.57 0.00 0.00 179.45 178.73 1sgo h ARG 135 N 0.00 0.56 -6.65 3.15 2.43 -0.05 -3.43 114.38 110.38 1sgo h ARG 135 Ca -0.14 -0.40 -0.51 0.00 -0.81 0.00 0.00 59.98 58.13 1sgo h ARG 135 Cb 1.54 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 31.14 1sgo h ARG 135 CO 0.05 1.02 0.37 0.34 -1.51 0.00 0.00 179.97 180.24 1sgo s ASP 136 N -6.62 7.52 0.00 -3.80 2.15 -0.22 -5.03 116.67 110.67 1sgo s ASP 136 Ca -0.13 1.90 0.00 0.00 0.43 0.00 0.00 52.55 54.76 1sgo s ASP 136 Cb 0.06 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1sgo s ASP 136 CO 0.82 -0.00 0.00 0.61 -0.17 0.00 0.00 175.17 176.43 1sgo n GLY 137 N 1.91 4.97 3.57 2.66 0.00 -1.26 -4.85 105.19 112.19 1sgo n GLY 137 Ca 0.01 -1.76 -0.06 0.00 0.00 0.00 0.00 46.02 44.21 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 2.80 0.59 0.00 1.61 -2.07 -1.26 -5.17 119.66 116.16 1sgo s GLN 138 Ca 0.00 1.24 0.00 0.00 -1.82 0.00 0.00 55.36 54.78 1sgo s GLN 138 Cb 0.00 0.39 0.00 0.00 -1.09 0.00 0.00 33.01 32.31 1sgo s GLN 138 CO 0.00 -0.18 0.00 -1.13 -1.32 0.00 0.00 175.29 172.66