#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpa n GLY 0 N 0.00 3.76 3.68 0.00 0.00 -1.26 -5.01 105.19 106.36 3gpa n GLY 0 Ca 0.00 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 3gpa n GLY 0 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gpa s LEU 1 N -3.02 4.33 0.25 0.99 2.96 -1.26 -0.03 118.68 122.90 3gpa s LEU 1 Ca 0.56 2.26 0.03 0.00 -0.22 0.00 0.00 54.13 56.76 3gpa s LEU 1 Cb 0.45 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.53 3gpa s LEU 1 CO 0.13 -0.86 0.02 -1.10 -1.32 0.00 0.00 176.35 173.22 3gpa s GLN 2 N 3.22 1.40 0.13 1.98 -0.21 -0.46 -4.87 119.66 120.85 3gpa s GLN 2 Ca 0.71 -1.73 0.11 0.00 0.02 0.00 0.00 55.36 54.47 3gpa s GLN 2 Cb -0.34 -0.63 -0.04 0.00 1.00 0.00 0.00 33.01 33.00 3gpa s GLN 2 CO 0.29 -0.13 -0.26 1.03 -2.12 0.00 0.00 175.29 174.10 3gpa s ARG 3 N -3.88 1.44 0.09 2.91 0.52 -1.26 -1.80 118.95 116.97 3gpa s ARG 3 Ca 0.31 -1.33 -0.04 0.00 -0.52 0.00 0.00 55.73 54.14 3gpa s ARG 3 Cb 0.06 -1.92 -0.02 0.00 0.52 0.00 0.00 34.95 33.59 3gpa s ARG 3 CO 0.10 0.45 0.09 -0.08 0.02 0.00 0.00 175.30 175.88 3gpa s THR 4 N -1.07 0.16 -0.16 0.02 -1.32 -0.57 -4.70 115.64 107.99 3gpa s THR 4 Ca 0.14 -1.57 -0.04 0.00 -1.21 0.00 0.00 61.69 59.01 3gpa s THR 4 Cb -0.10 -1.57 -0.03 0.00 -1.51 0.00 0.00 72.50 69.29 3gpa s THR 4 CO 0.06 -0.74 -0.02 -0.22 -2.21 0.00 0.00 174.62 171.50 3gpa s LEU 5 N -2.92 3.35 -0.07 9.08 2.96 -1.26 -1.63 118.68 128.19 3gpa s LEU 5 Ca 0.10 -0.10 0.05 0.00 -0.22 0.00 0.00 54.13 53.96 3gpa s LEU 5 Cb 0.06 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 3gpa s LEU 5 CO -0.08 0.16 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.20 3gpa s VAL 6 N 0.41 2.27 -0.12 1.68 1.01 -0.17 -1.60 120.40 123.88 3gpa s VAL 6 Ca -0.02 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 3gpa s VAL 6 Cb -0.14 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 3gpa s VAL 6 CO 0.02 0.57 -0.07 -0.76 0.00 0.00 0.00 175.10 174.86 3gpa s LEU 7 N -0.15 3.09 -0.35 3.92 1.43 -0.08 -0.77 118.68 125.77 3gpa s LEU 7 Ca -0.03 -0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 52.76 3gpa s LEU 7 Cb -0.14 -1.71 -0.00 0.00 0.03 0.00 0.00 46.19 44.37 3gpa s LEU 7 CO 0.04 0.24 0.48 -0.63 0.23 0.00 0.00 176.35 176.71 3gpa s ILE 8 N -0.09 5.05 0.72 -0.59 -1.09 0.09 -0.84 121.20 124.45 3gpa s ILE 8 Ca 0.01 0.26 -0.12 0.00 -2.23 0.00 0.00 60.65 58.58 3gpa s ILE 8 Cb -0.13 -3.94 0.02 0.00 -1.58 0.00 0.00 42.46 36.83 3gpa s ILE 8 CO 0.03 -0.20 1.11 -0.54 -1.23 0.00 0.00 174.94 174.11 3gpa s LYS 9 N 2.31 2.74 0.50 2.79 1.02 -0.27 -2.66 119.74 126.16 3gpa s LYS 9 Ca 0.17 0.43 0.18 0.00 0.02 0.00 0.00 55.97 56.78 3gpa s LYS 9 Cb -0.16 -2.01 1.24 0.00 -0.52 0.00 0.00 37.83 36.38 3gpa s LYS 9 CO 0.13 -1.12 2.05 -1.35 -0.92 0.00 0.00 175.35 174.14 3gpa h PRO 10 N -0.71 0.12 0.00 -1.68 0.11 -1.84 -1.94 132.00 126.06 3gpa h PRO 10 Ca -0.45 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 3gpa h PRO 10 Cb 1.26 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3gpa h PRO 10 CO 0.64 0.08 -0.07 0.38 -0.21 0.00 0.00 178.00 178.82 3gpa h ASP 11 N 0.13 0.00 0.33 -2.05 2.03 -1.91 -1.87 116.42 113.07 3gpa h ASP 11 Ca 0.16 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.33 3gpa h ASP 11 Cb 0.49 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.98 3gpa h ASP 11 CO -0.02 0.07 -0.55 0.00 -1.03 0.00 0.00 179.24 177.71 3gpa h ALA 12 N 1.93 0.92 0.01 4.15 0.00 -1.62 -1.33 119.26 123.32 3gpa h ALA 12 Ca -0.00 -0.51 -0.25 0.00 0.00 0.00 0.00 54.91 54.15 3gpa h ALA 12 Cb 0.22 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.95 3gpa h ALA 12 CO 0.01 0.69 -0.98 0.74 0.00 0.00 0.00 179.25 179.71 3gpa h PHE 13 N 0.18 0.96 -0.88 0.00 -1.00 -1.48 0.89 116.94 115.61 3gpa h PHE 13 Ca 0.00 -0.53 0.04 0.00 2.81 0.00 0.00 57.97 60.29 3gpa h PHE 13 Cb 1.03 -0.10 -0.05 0.00 3.61 0.00 0.00 35.95 40.43 3gpa h PHE 13 CO 0.02 1.37 0.58 1.49 -1.61 0.00 0.00 178.31 180.15 3gpa h GLU 14 N 0.28 1.04 -0.55 1.51 4.57 -1.28 -2.69 114.58 117.46 3gpa h GLU 14 Ca -0.13 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 3gpa h GLU 14 Cb 1.65 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 30.00 3gpa h GLU 14 CO 0.19 0.69 0.00 0.54 -1.18 0.00 0.00 179.01 179.25 3gpa n ARG 15 N -4.46 2.61 -3.70 1.92 1.74 -0.51 -4.98 116.66 109.28 3gpa n ARG 15 Ca 0.12 -2.43 -0.23 0.00 -0.77 0.00 0.00 57.85 54.54 3gpa n ARG 15 Cb 0.13 -1.51 0.04 0.00 -1.02 0.00 0.00 32.46 30.11 3gpa n ARG 15 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3gpa n SER 16 N 1.46 -2.72 -0.36 0.55 7.64 -0.77 -4.90 113.62 114.52 3gpa n SER 16 Ca 0.21 -0.75 0.03 0.00 1.01 0.00 0.00 58.87 59.37 3gpa n SER 16 Cb 0.59 -4.29 0.09 0.00 -1.01 0.00 0.00 64.21 59.59 3gpa n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3gpa n LEU 17 N -4.43 2.52 0.20 -3.43 4.77 0.24 -4.79 117.00 112.07 3gpa n LEU 17 Ca -0.18 -2.00 -0.15 0.00 -0.03 0.00 0.00 56.01 53.65 3gpa n LEU 17 Cb 0.63 -0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.52 3gpa n LEU 17 CO 0.69 0.63 0.68 0.58 -1.33 0.00 0.00 177.39 178.64 3gpa h VAL 18 N 1.15 0.42 -0.45 4.08 2.07 -1.90 -1.46 116.25 120.15 3gpa h VAL 18 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 3gpa h VAL 18 Cb 0.63 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3gpa h VAL 18 CO 0.00 0.00 0.09 0.00 0.02 0.00 0.00 177.57 177.68 3gpa h ALA 19 N -0.00 1.31 -0.67 1.67 0.00 -1.94 -1.24 119.26 118.40 3gpa h ALA 19 Ca -0.02 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.73 3gpa h ALA 19 Cb 0.54 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3gpa h ALA 19 CO -0.04 0.48 0.43 1.49 0.00 0.00 0.00 179.25 181.61 3gpa h GLU 20 N 0.66 0.82 -0.15 0.00 4.57 -1.82 0.37 114.58 119.04 3gpa h GLU 20 Ca 0.15 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.20 3gpa h GLU 20 Cb 0.28 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 3gpa h GLU 20 CO 0.00 0.54 -0.20 0.82 -1.18 0.00 0.00 179.01 179.00 3gpa h ILE 21 N 0.84 1.36 -0.46 2.32 2.04 -0.84 -2.73 117.51 120.04 3gpa h ILE 21 Ca 0.26 -1.41 -0.07 0.00 1.00 0.00 0.00 64.86 64.65 3gpa h ILE 21 Cb -0.02 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 3gpa h ILE 21 CO -0.09 0.42 -0.00 0.24 0.00 0.00 0.00 178.15 178.71 3gpa h MET 22 N 0.01 0.75 -0.28 2.37 2.86 -1.07 -2.84 114.93 116.74 3gpa h MET 22 Ca 0.02 -0.20 -0.09 0.00 -2.06 0.00 0.00 59.70 57.37 3gpa h MET 22 Cb 0.76 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 3gpa h MET 22 CO 0.05 0.76 -0.20 0.78 1.06 0.00 0.00 176.91 179.36 3gpa h GLY 23 N 0.96 0.54 1.49 8.32 0.00 -0.24 0.21 103.07 114.36 3gpa h GLY 23 Ca 0.14 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 3gpa h GLY 23 CO 0.02 0.39 0.05 3.21 0.00 0.00 0.00 176.54 180.20 3gpa h ARG 24 N 0.45 0.64 0.04 4.80 3.08 -1.24 0.58 114.38 122.74 3gpa h ARG 24 Ca 0.07 -0.14 -0.27 0.00 0.07 0.00 0.00 59.98 59.72 3gpa h ARG 24 Cb 0.61 -0.09 0.02 0.00 0.08 0.00 0.00 29.97 30.59 3gpa h ARG 24 CO 0.04 0.63 -1.08 0.82 -1.07 0.00 0.00 179.97 179.32 3gpa h ILE 25 N 0.62 1.29 -0.60 2.04 2.04 -1.34 -3.22 117.51 118.34 3gpa h ILE 25 Ca 0.13 -2.30 0.02 0.00 1.00 0.00 0.00 64.86 63.71 3gpa h ILE 25 Cb 0.32 2.51 -0.04 0.00 -0.74 0.00 0.00 36.82 38.87 3gpa h ILE 25 CO 0.01 0.71 0.37 -0.08 0.00 0.00 0.00 178.15 179.15 3gpa h GLU 26 N 0.31 0.72 0.00 2.37 4.81 -0.75 -2.78 114.58 119.25 3gpa h GLU 26 Ca -0.15 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 3gpa h GLU 26 Cb 1.74 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.96 3gpa h GLU 26 CO 0.21 0.48 0.00 0.87 -0.73 0.00 0.00 179.01 179.83 3gpa h LYS 27 N 0.74 0.00 -0.54 1.92 1.79 -0.94 -1.02 116.57 118.52 3gpa h LYS 27 Ca 0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 3gpa h LYS 27 Cb -0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3gpa h LYS 27 CO -0.09 0.00 0.00 1.17 -1.08 0.00 0.00 179.45 179.45 3gpa n LYS 28 N -2.70 2.34 -2.00 3.15 4.81 -1.06 -4.93 118.16 117.77 3gpa n LYS 28 Ca 0.00 -1.90 -0.04 0.00 -0.87 0.00 0.00 58.31 55.50 3gpa n LYS 28 Cb 0.20 -1.46 -0.00 0.00 0.02 0.00 0.00 35.03 33.78 3gpa n LYS 28 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3gpa n ASN 29 N 0.96 -2.19 -4.88 3.14 4.05 -0.39 -5.05 115.26 110.91 3gpa n ASN 29 Ca 0.18 0.01 -0.34 0.00 0.45 0.00 0.00 54.58 54.87 3gpa n ASN 29 Cb 0.48 -1.45 -0.05 0.00 1.23 0.00 0.00 39.78 39.99 3gpa n ASN 29 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 3gpa s PHE 30 N -2.22 3.57 -0.02 1.20 0.40 -1.17 -4.89 117.98 114.85 3gpa s PHE 30 Ca 0.00 0.69 0.05 0.00 -0.60 0.00 0.00 56.93 57.07 3gpa s PHE 30 Cb 0.00 -2.08 -0.03 0.00 0.51 0.00 0.00 43.02 41.42 3gpa s PHE 30 CO 0.00 0.55 -0.16 0.15 0.70 0.00 0.00 175.22 176.46 3gpa s LYS 31 N -1.91 2.35 -0.04 0.44 -0.14 -0.50 -4.46 119.74 115.47 3gpa s LYS 31 Ca 0.32 -0.80 -0.30 0.00 -1.36 0.00 0.00 55.97 53.83 3gpa s LYS 31 Cb -0.14 -2.30 -0.03 0.00 -1.68 0.00 0.00 37.83 33.69 3gpa s LYS 31 CO 0.18 0.59 1.10 0.42 -0.76 0.00 0.00 175.35 176.88 3gpa s ILE 32 N -0.79 4.51 -0.13 2.17 1.01 -1.26 -0.25 121.20 126.46 3gpa s ILE 32 Ca 0.13 1.80 0.05 0.00 0.00 0.00 0.00 60.65 62.63 3gpa s ILE 32 Cb -0.11 -4.16 -0.12 0.00 0.01 0.00 0.00 42.46 38.09 3gpa s ILE 32 CO 0.02 0.05 -0.05 0.52 0.00 0.00 0.00 174.94 175.49 3gpa n VAL 33 N 4.34 0.81 -3.68 2.92 0.31 0.44 -4.92 118.33 118.54 3gpa n VAL 33 Ca 0.09 -0.40 -0.14 0.00 -0.01 0.00 0.00 64.34 63.88 3gpa n VAL 33 Cb 0.48 -0.86 -0.07 0.00 -0.91 0.00 0.00 33.84 32.48 3gpa n VAL 33 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3gpa s SER 34 N -4.92 -0.31 -0.27 4.52 0.01 -1.18 -4.97 113.70 106.58 3gpa s SER 34 Ca -0.13 0.16 -0.20 0.00 1.31 0.00 0.00 55.95 57.09 3gpa s SER 34 Cb 0.04 0.40 0.07 0.00 0.21 0.00 0.00 66.02 66.74 3gpa s SER 34 CO 0.40 -0.56 0.69 -0.32 0.41 0.00 0.00 173.24 173.86 3gpa s MET 35 N -1.77 0.76 -0.00 12.44 0.00 -1.26 -0.42 119.30 129.05 3gpa s MET 35 Ca -0.10 1.09 0.04 0.00 0.00 0.00 0.00 55.69 56.71 3gpa s MET 35 Cb -0.02 0.27 -0.01 0.00 0.00 0.00 0.00 34.83 35.07 3gpa s MET 35 CO 0.03 -0.12 -0.11 0.15 0.00 0.00 0.00 175.02 174.96 3gpa s LYS 36 N 0.98 0.90 -0.20 4.11 1.02 -0.14 -5.00 119.74 121.41 3gpa s LYS 36 Ca -0.05 -0.43 -0.12 0.00 0.02 0.00 0.00 55.97 55.40 3gpa s LYS 36 Cb -0.05 -0.87 -0.05 0.00 -0.52 0.00 0.00 37.83 36.35 3gpa s LYS 36 CO -0.09 0.24 0.20 0.12 -0.92 0.00 0.00 175.35 174.90 3gpa s PHE 37 N -0.32 3.40 -0.25 3.18 5.36 -1.26 -1.19 117.98 126.89 3gpa s PHE 37 Ca 0.04 0.40 -0.01 0.00 -0.96 0.00 0.00 56.93 56.40 3gpa s PHE 37 Cb -0.05 -2.26 0.03 0.00 -0.34 0.00 0.00 43.02 40.41 3gpa s PHE 37 CO -0.00 0.21 -0.07 -1.58 -1.46 0.00 0.00 175.22 172.31 3gpa s TRP 38 N 0.61 3.09 0.40 10.12 0.52 0.48 -4.97 118.94 129.20 3gpa s TRP 38 Ca 0.11 -1.68 0.09 0.00 0.02 0.00 0.00 56.10 54.64 3gpa s TRP 38 Cb -0.12 -2.04 0.84 0.00 -1.15 0.00 0.00 33.47 30.99 3gpa s TRP 38 CO 0.02 -0.76 1.96 0.66 0.02 0.00 0.00 176.95 178.85 3gpa h SER 39 N 7.98 0.26 -2.48 2.95 4.64 -1.92 -0.26 113.55 124.72 3gpa h SER 39 Ca -0.31 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 60.95 3gpa h SER 39 Cb 1.10 -0.07 -0.24 0.00 -0.31 0.00 0.00 62.40 62.88 3gpa h SER 39 CO 0.56 0.35 -0.23 -0.75 -0.87 0.00 0.00 176.83 175.89 3gpa s LYS 40 N -4.91 0.47 0.39 4.77 2.20 -1.26 -3.03 119.74 118.37 3gpa s LYS 40 Ca -0.06 1.18 -0.24 0.00 -0.36 0.00 0.00 55.97 56.50 3gpa s LYS 40 Cb 0.16 0.46 -0.10 0.00 -1.51 0.00 0.00 37.83 36.84 3gpa s LYS 40 CO 0.73 -0.21 1.00 0.00 -0.36 0.00 0.00 175.35 176.51 3gpa s ALA 41 N 2.45 3.10 0.19 3.13 0.00 -1.26 -4.97 121.76 124.39 3gpa s ALA 41 Ca -0.05 0.58 -0.32 0.00 0.00 0.00 0.00 51.96 52.17 3gpa s ALA 41 Cb -0.11 -3.22 -0.11 0.00 0.00 0.00 0.00 23.12 19.68 3gpa s ALA 41 CO -0.16 -0.04 1.69 -2.14 0.00 0.00 0.00 175.76 175.11 3gpa s PRO 42 N -2.56 4.15 0.33 0.00 0.02 -1.26 -4.83 135.00 130.85 3gpa s PRO 42 Ca 0.57 2.55 0.11 0.00 0.02 0.00 0.00 61.00 64.25 3gpa s PRO 42 Cb -0.18 -3.13 0.94 0.00 0.02 0.00 0.00 34.50 32.15 3gpa s PRO 42 CO 0.23 -0.72 1.73 -0.09 -0.33 0.00 0.00 177.00 177.82 3gpa h ARG 43 N 6.93 0.52 -0.75 5.54 2.43 -1.96 -0.58 114.38 126.50 3gpa h ARG 43 Ca -0.43 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.68 3gpa h ARG 43 Cb 1.20 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 3gpa h ARG 43 CO 0.95 0.34 0.36 -0.97 -1.51 0.00 0.00 179.97 179.14 3gpa h ASN 44 N 0.53 0.98 -0.75 -3.80 -0.73 -1.99 -0.51 115.58 109.31 3gpa h ASN 44 Ca 0.64 -0.11 -0.02 0.00 1.87 0.00 0.00 56.30 58.69 3gpa h ASN 44 Cb 1.31 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 39.61 3gpa h ASN 44 CO -0.45 0.83 0.40 -0.07 -0.37 0.00 0.00 177.43 177.77 3gpa h LEU 45 N 1.07 0.94 -0.39 0.34 4.07 -1.48 -0.63 115.31 119.23 3gpa h LEU 45 Ca 0.26 -0.10 -0.04 0.00 0.08 0.00 0.00 57.88 58.07 3gpa h LEU 45 Cb 0.11 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.60 3gpa h LEU 45 CO -0.03 0.77 0.08 0.40 -1.08 0.00 0.00 178.44 178.58 3gpa h ILE 46 N 1.03 1.23 -0.73 1.22 1.08 -1.01 0.32 117.51 120.66 3gpa h ILE 46 Ca 0.26 -0.81 -0.06 0.00 -0.39 0.00 0.00 64.86 63.85 3gpa h ILE 46 Cb 0.05 1.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.79 3gpa h ILE 46 CO -0.04 0.28 0.21 -0.33 -0.69 0.00 0.00 178.15 177.57 3gpa h GLU 47 N 0.49 1.16 -0.21 2.37 5.08 -0.96 0.58 114.58 123.10 3gpa h GLU 47 Ca 0.12 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3gpa h GLU 47 Cb 0.33 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3gpa h GLU 47 CO 0.00 1.00 0.13 1.96 -1.00 0.00 0.00 179.01 181.10 3gpa h GLN 48 N 1.10 0.28 -0.69 2.33 4.20 -0.92 -0.83 115.11 120.57 3gpa h GLN 48 Ca 0.23 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.95 3gpa h GLN 48 Cb 0.34 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 3gpa h GLN 48 CO -0.00 0.22 0.43 1.25 -0.67 0.00 0.00 178.83 180.05 3gpa h HIS 49 N 0.26 0.80 -0.83 2.96 2.76 0.45 -2.25 115.15 119.30 3gpa h HIS 49 Ca 0.07 0.02 -0.45 0.00 -2.20 0.00 0.00 60.37 57.81 3gpa h HIS 49 Cb 0.01 -0.26 -0.26 0.00 1.55 0.00 0.00 27.41 28.45 3gpa h HIS 49 CO -0.05 0.45 0.45 0.66 -1.30 0.00 0.00 177.93 178.14 3gpa n TYR 50 N -4.68 2.58 0.25 5.26 0.53 0.12 -4.70 117.16 116.52 3gpa n TYR 50 Ca 0.07 -1.95 0.14 0.00 -1.02 0.00 0.00 57.90 55.14 3gpa n TYR 50 Cb 0.09 -0.88 0.81 0.00 -1.03 0.00 0.00 39.34 38.33 3gpa n TYR 50 CO 0.00 0.00 0.00 1.57 -1.02 0.00 0.00 176.86 177.41 3gpa h LYS 51 N 1.16 0.00 0.00 -0.72 2.10 -0.51 0.04 116.57 118.64 3gpa h LYS 51 Ca 0.52 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.17 3gpa h LYS 51 Cb 2.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.60 3gpa h LYS 51 CO 0.98 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.82 3gpa n GLU 52 N -4.07 0.09 -0.20 0.07 1.02 -1.26 -2.60 120.64 113.69 3gpa n GLU 52 Ca -0.02 0.11 0.10 0.00 -0.02 0.00 0.00 57.16 57.33 3gpa n GLU 52 Cb 0.16 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.28 3gpa n GLU 52 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3gpa n HIS 53 N -1.44 0.52 0.30 -0.32 8.25 0.00 -4.68 115.22 117.85 3gpa n HIS 53 Ca 0.07 -0.31 0.18 0.00 -0.26 0.00 0.00 57.72 57.40 3gpa n HIS 53 Cb 0.24 -0.01 0.92 0.00 1.12 0.00 0.00 29.99 32.26 3gpa n HIS 53 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3gpa h SER 54 N 3.75 0.00 -0.14 0.41 4.64 -1.55 -1.27 113.55 119.39 3gpa h SER 54 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gpa h SER 54 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3gpa h SER 54 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 3gpa n GLU 55 N -2.85 2.36 -3.12 4.77 4.71 -1.26 -4.91 120.64 120.33 3gpa n GLU 55 Ca -0.01 -2.00 -0.34 0.00 -0.01 0.00 0.00 57.16 54.79 3gpa n GLU 55 Cb 0.13 -1.48 -0.06 0.00 -1.01 0.00 0.00 31.44 29.02 3gpa n GLU 55 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 3gpa s GLN 56 N -1.84 4.13 0.43 3.49 -1.52 -0.48 -4.96 119.66 118.90 3gpa s GLN 56 Ca 0.32 0.77 0.20 0.00 -1.95 0.00 0.00 55.36 54.69 3gpa s GLN 56 Cb 0.21 -2.66 1.14 0.00 -0.22 0.00 0.00 33.01 31.48 3gpa s GLN 56 CO 0.31 0.28 1.84 0.66 -0.25 0.00 0.00 175.29 178.12 3gpa h SER 57 N 2.85 0.37 0.16 5.90 4.64 -1.93 -1.19 113.55 124.34 3gpa h SER 57 Ca -0.48 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3gpa h SER 57 Cb 1.18 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3gpa h SER 57 CO 0.65 0.13 -0.07 0.00 -0.87 0.00 0.00 176.83 176.67 3gpa n TYR 58 N -4.50 0.00 -0.05 4.77 0.18 -1.26 -4.42 117.16 111.88 3gpa n TYR 58 Ca 0.21 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.91 3gpa n TYR 58 Cb 0.77 -0.08 -0.02 0.00 -0.38 0.00 0.00 39.34 39.63 3gpa n TYR 58 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3gpa h PHE 59 N 1.06 -0.01 -0.24 -3.48 3.04 -1.44 0.14 116.94 116.01 3gpa h PHE 59 Ca 0.00 0.02 -0.14 0.00 3.98 0.00 0.00 57.97 61.83 3gpa h PHE 59 Cb 0.34 0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.88 3gpa h PHE 59 CO 0.00 -0.03 -0.43 -0.91 -2.02 0.00 0.00 178.31 174.91 3gpa h ASN 60 N 0.08 0.63 -0.43 0.41 2.35 -1.81 -1.53 115.58 115.27 3gpa h ASN 60 Ca 0.11 -0.29 -0.14 0.00 -0.55 0.00 0.00 56.30 55.43 3gpa h ASN 60 Cb 0.14 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3gpa h ASN 60 CO -0.19 0.98 -0.26 0.44 -1.65 0.00 0.00 177.43 176.75 3gpa h ASP 61 N 0.48 0.98 -0.10 5.81 3.32 -1.76 -1.49 116.42 123.66 3gpa h ASP 61 Ca 0.03 -0.42 0.02 0.00 0.02 0.00 0.00 57.03 56.69 3gpa h ASP 61 Cb 0.95 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 3gpa h ASP 61 CO 0.08 1.19 -0.06 0.25 -1.72 0.00 0.00 179.24 178.99 3gpa h LEU 62 N 0.78 -0.18 -1.10 1.55 5.85 -0.82 -0.80 115.31 120.59 3gpa h LEU 62 Ca 0.09 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3gpa h LEU 62 Cb 0.84 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 3gpa h LEU 62 CO 0.07 -0.08 0.32 0.00 -0.34 0.00 0.00 178.44 178.42 3gpa h ASP 64 N 0.96 0.44 -0.48 0.00 3.32 -0.95 -2.63 116.42 117.07 3gpa h ASP 64 Ca 0.23 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3gpa h ASP 64 Cb 0.10 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3gpa h ASP 64 CO -0.03 0.40 0.27 0.15 -1.72 0.00 0.00 179.24 178.30 3gpa h PHE 65 N 0.44 0.66 0.00 4.55 3.04 -0.68 -2.58 116.94 122.37 3gpa h PHE 65 Ca 0.12 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.06 3gpa h PHE 65 Cb 0.06 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.35 3gpa h PHE 65 CO -0.03 0.49 0.00 0.52 -2.02 0.00 0.00 178.31 177.27 3gpa h MET 66 N 0.64 0.00 -0.58 1.11 2.86 -0.91 0.28 114.93 118.32 3gpa h MET 66 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3gpa h MET 66 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 3gpa h MET 66 CO -0.03 0.00 0.00 1.33 1.06 0.00 0.00 176.91 179.27 3gpa n VAL 67 N -2.93 1.11 1.30 -2.22 0.24 -1.01 -4.51 118.33 110.31 3gpa n VAL 67 Ca -0.00 -1.04 0.14 0.00 -2.04 0.00 0.00 64.34 61.40 3gpa n VAL 67 Cb 0.20 0.45 0.62 0.00 -1.47 0.00 0.00 33.84 33.64 3gpa n VAL 67 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3gpa n SER 68 N 1.16 0.26 -1.69 -1.34 3.41 0.09 -4.85 113.62 110.65 3gpa n SER 68 Ca 0.20 -0.22 -0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3gpa n SER 68 Cb 0.59 -0.18 0.01 0.00 -0.26 0.00 0.00 64.21 64.36 3gpa n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gpa n GLY 69 N 1.34 0.93 3.78 5.00 0.00 -1.26 -5.08 105.19 109.90 3gpa n GLY 69 Ca 0.12 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 3gpa n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gpa s PRO 70 N -2.01 2.13 0.05 1.61 0.02 -1.17 -4.55 135.00 131.08 3gpa s PRO 70 Ca 0.07 0.90 -0.01 0.00 0.02 0.00 0.00 61.00 61.98 3gpa s PRO 70 Cb -0.01 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.57 3gpa s PRO 70 CO 0.01 -1.66 -0.02 0.96 -0.33 0.00 0.00 177.00 175.96 3gpa s ILE 71 N -3.01 0.21 -0.09 2.83 -4.36 -0.11 -3.28 121.20 113.39 3gpa s ILE 71 Ca 0.61 -1.71 0.04 0.00 -0.26 0.00 0.00 60.65 59.33 3gpa s ILE 71 Cb -0.16 -1.40 -0.01 0.00 1.25 0.00 0.00 42.46 42.15 3gpa s ILE 71 CO 0.56 -0.94 -0.23 -0.63 0.24 0.00 0.00 174.94 173.93 3gpa s ILE 72 N -3.69 2.19 -0.13 8.37 1.01 -1.09 -0.39 121.20 127.48 3gpa s ILE 72 Ca 0.05 -0.99 -0.04 0.00 0.00 0.00 0.00 60.65 59.67 3gpa s ILE 72 Cb 0.06 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 3gpa s ILE 72 CO -0.09 0.56 0.01 -0.94 0.00 0.00 0.00 174.94 174.48 3gpa s SER 73 N 0.18 5.24 -0.02 3.58 1.04 -0.33 -0.74 113.70 122.65 3gpa s SER 73 Ca -0.13 0.07 0.01 0.00 0.48 0.00 0.00 55.95 56.38 3gpa s SER 73 Cb -0.16 -1.68 0.01 0.00 0.10 0.00 0.00 66.02 64.29 3gpa s SER 73 CO 0.07 0.28 -0.04 -0.63 0.98 0.00 0.00 173.24 173.90 3gpa s ILE 74 N -0.30 0.41 -0.28 -1.02 1.01 0.05 -0.97 121.20 120.11 3gpa s ILE 74 Ca 0.07 -0.16 -0.11 0.00 0.00 0.00 0.00 60.65 60.44 3gpa s ILE 74 Cb -0.12 -0.39 -0.05 0.00 0.01 0.00 0.00 42.46 41.90 3gpa s ILE 74 CO 0.02 0.15 0.19 -0.69 0.00 0.00 0.00 174.94 174.61 3gpa s VAL 75 N 0.27 5.30 0.03 2.92 1.01 0.44 -0.99 120.40 129.38 3gpa s VAL 75 Ca -0.03 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.13 3gpa s VAL 75 Cb -0.07 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3gpa s VAL 75 CO -0.00 0.25 0.09 -0.31 0.00 0.00 0.00 175.10 175.13 3gpa s TYR 76 N 1.76 3.27 -0.00 5.22 1.51 -0.64 -0.42 117.35 128.05 3gpa s TYR 76 Ca 0.07 0.17 0.06 0.00 -1.01 0.00 0.00 57.07 56.35 3gpa s TYR 76 Cb -0.16 -1.70 -0.02 0.00 -0.11 0.00 0.00 41.96 39.97 3gpa s TYR 76 CO 0.11 0.54 -0.19 -2.00 -1.11 0.00 0.00 175.55 172.91 3gpa s GLU 77 N -2.02 1.45 0.00 -0.62 2.12 0.66 -1.51 118.70 118.77 3gpa s GLU 77 Ca 0.26 -0.71 0.00 0.00 0.36 0.00 0.00 54.97 54.88 3gpa s GLU 77 Cb -0.12 -1.43 0.00 0.00 0.26 0.00 0.00 34.13 32.84 3gpa s GLU 77 CO 0.18 0.39 0.00 0.41 -0.54 0.00 0.00 175.26 175.69 3gpa n GLY 78 N 2.45 0.12 3.67 -1.50 0.00 -0.74 -1.41 105.19 107.78 3gpa n GLY 78 Ca -0.15 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 3gpa n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gpa s THR 79 N -2.00 3.01 -1.71 2.61 2.01 -1.26 -1.36 115.64 116.94 3gpa s THR 79 Ca 0.00 0.19 -0.00 0.00 0.31 0.00 0.00 61.69 62.18 3gpa s THR 79 Cb 0.00 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.39 3gpa s THR 79 CO 0.00 -0.01 0.06 -0.67 -0.69 0.00 0.00 174.62 173.31 3gpa n ASP 80 N 6.88 -5.79 -0.34 3.53 2.03 0.96 -4.84 116.55 118.98 3gpa n ASP 80 Ca 0.19 -0.03 0.14 0.00 0.52 0.00 0.00 54.79 55.60 3gpa n ASP 80 Cb 0.41 -4.81 0.35 0.00 -0.72 0.00 0.00 41.12 36.34 3gpa n ASP 80 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gpa h ALA 81 N 1.00 1.75 0.66 -1.67 0.00 -1.69 -2.05 119.26 117.26 3gpa h ALA 81 Ca -0.49 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 3gpa h ALA 81 Cb 1.36 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.07 3gpa h ALA 81 CO 0.57 -0.10 -0.32 0.82 0.00 0.00 0.00 179.25 180.22 3gpa h ILE 82 N 0.73 0.33 -0.04 0.00 2.04 -1.87 -0.45 117.51 118.24 3gpa h ILE 82 Ca 0.56 -0.06 -0.19 0.00 1.00 0.00 0.00 64.86 66.17 3gpa h ILE 82 Cb 0.92 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3gpa h ILE 82 CO -0.34 0.01 -0.79 0.77 0.00 0.00 0.00 178.15 177.79 3gpa h SER 83 N -0.93 0.41 -0.57 1.72 4.64 -1.84 -2.39 113.55 114.59 3gpa h SER 83 Ca -0.09 -0.29 -0.07 0.00 -0.47 0.00 0.00 61.79 60.87 3gpa h SER 83 Cb 0.70 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 3gpa h SER 83 CO 0.15 1.05 0.09 0.11 -0.87 0.00 0.00 176.83 177.36 3gpa h LYS 84 N 0.22 0.95 -0.06 4.77 1.79 -1.35 -0.61 116.57 122.28 3gpa h LYS 84 Ca -0.04 -0.26 -0.18 0.00 -2.18 0.00 0.00 60.65 57.99 3gpa h LYS 84 Cb 1.38 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.92 3gpa h LYS 84 CO 0.13 0.91 -0.74 0.82 -1.08 0.00 0.00 179.45 179.49 3gpa h ILE 85 N 0.85 1.39 -0.62 1.86 2.04 -1.11 -1.26 117.51 120.66 3gpa h ILE 85 Ca 0.17 -2.19 0.07 0.00 1.00 0.00 0.00 64.86 63.91 3gpa h ILE 85 Cb 0.43 2.16 -0.06 0.00 -0.74 0.00 0.00 36.82 38.60 3gpa h ILE 85 CO 0.01 0.65 0.30 0.03 0.00 0.00 0.00 178.15 179.14 3gpa h ARG 86 N 0.24 0.52 -0.55 2.37 2.47 -1.28 0.33 114.38 118.49 3gpa h ARG 86 Ca -0.03 -0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 58.59 3gpa h ARG 86 Cb 1.32 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 29.50 3gpa h ARG 86 CO 0.12 0.35 0.06 0.00 0.56 0.00 0.00 179.97 181.06 3gpa h ARG 87 N 0.54 0.92 -0.71 0.04 3.08 -0.81 -1.26 114.38 116.18 3gpa h ARG 87 Ca 0.30 -0.26 0.11 0.00 0.07 0.00 0.00 59.98 60.19 3gpa h ARG 87 Cb 0.28 -0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.15 3gpa h ARG 87 CO -0.23 0.91 0.33 -0.07 -1.07 0.00 0.00 179.97 179.83 3gpa h LEU 88 N 0.81 0.39 0.04 3.04 4.07 -0.71 -2.45 115.31 120.50 3gpa h LEU 88 Ca 0.16 0.08 0.01 0.00 0.08 0.00 0.00 57.88 58.21 3gpa h LEU 88 Cb 0.45 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.19 3gpa h LEU 88 CO 0.02 0.20 -0.10 -0.61 -1.08 0.00 0.00 178.44 176.87 3gpa h GLN 89 N 0.54 -0.19 0.00 1.13 4.15 -0.40 0.23 115.11 120.56 3gpa h GLN 89 Ca 0.37 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.80 3gpa h GLN 89 Cb 0.45 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.18 3gpa h GLN 89 CO -0.31 -0.13 0.00 0.41 -1.93 0.00 0.00 178.83 176.87 3gpa n GLY 90 N -1.23 1.43 3.38 2.39 0.00 -0.53 -1.44 105.19 109.19 3gpa n GLY 90 Ca -0.06 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 3gpa n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gpa s ASN 91 N -4.00 0.02 0.00 1.61 2.20 -1.26 -4.80 114.94 108.70 3gpa s ASN 91 Ca 0.00 -0.92 0.16 0.00 -0.94 0.00 0.00 52.86 51.16 3gpa s ASN 91 Cb 0.00 0.46 0.86 0.00 -2.00 0.00 0.00 41.25 40.57 3gpa s ASN 91 CO 0.00 -0.94 1.39 2.30 -2.94 0.00 0.00 177.10 176.91 3gpa n ILE 92 N -0.25 0.28 0.98 0.54 -5.35 -1.26 -1.85 119.36 112.45 3gpa n ILE 92 Ca -0.05 0.07 0.10 0.00 -0.27 0.00 0.00 62.75 62.60 3gpa n ILE 92 Cb 0.63 -0.82 -0.06 0.00 -1.74 0.00 0.00 39.64 37.65 3gpa n ILE 92 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3gpa n LEU 93 N -1.14 1.48 -3.90 7.28 4.77 -1.26 -4.68 117.00 119.55 3gpa n LEU 93 Ca 0.10 -0.63 -0.30 0.00 -0.03 0.00 0.00 56.01 55.15 3gpa n LEU 93 Cb 0.09 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.04 3gpa n LEU 93 CO 0.10 0.31 -0.25 -0.89 -1.33 0.00 0.00 177.39 175.33 3gpa s THR 94 N -2.71 2.12 0.70 -5.08 2.01 -0.77 -5.04 115.64 106.86 3gpa s THR 94 Ca 0.13 -2.73 -0.17 0.00 0.31 0.00 0.00 61.69 59.23 3gpa s THR 94 Cb 0.17 -2.51 0.01 0.00 0.01 0.00 0.00 72.50 70.18 3gpa s THR 94 CO 0.71 -0.75 1.21 -2.65 -0.69 0.00 0.00 174.62 172.45 3gpa n PRO 95 N 3.66 0.79 0.00 4.92 -0.02 -1.26 -2.91 135.00 140.19 3gpa n PRO 95 Ca 0.05 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3gpa n PRO 95 Cb 0.36 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 3gpa n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gpa n GLY 96 N 0.88 2.54 4.01 -1.23 0.00 -1.26 -4.92 105.19 105.20 3gpa n GLY 96 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 3gpa n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gpa s THR 97 N -2.52 2.99 0.08 2.61 -4.23 -1.15 -4.92 115.64 108.49 3gpa s THR 97 Ca 0.00 -1.01 -0.33 0.00 -1.18 0.00 0.00 61.69 59.16 3gpa s THR 97 Cb 0.00 -3.00 -0.18 0.00 1.34 0.00 0.00 72.50 70.66 3gpa s THR 97 CO 0.00 0.00 1.61 0.40 -0.54 0.00 0.00 174.62 176.09 3gpa h ILE 98 N 0.65 0.25 -0.49 2.99 2.04 -0.59 -0.35 117.51 122.01 3gpa h ILE 98 Ca -0.40 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 3gpa h ILE 98 Cb 1.28 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 3gpa h ILE 98 CO 0.45 0.00 0.08 0.03 0.00 0.00 0.00 178.15 178.71 3gpa h ARG 99 N -0.94 0.77 -0.32 2.37 3.08 -1.46 -1.35 114.38 116.52 3gpa h ARG 99 Ca -0.08 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 59.75 3gpa h ARG 99 Cb 0.75 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3gpa h ARG 99 CO 0.10 0.72 -0.04 0.78 -1.07 0.00 0.00 179.97 180.47 3gpa h GLY 100 N 0.95 0.54 1.04 0.04 0.00 -1.14 -0.79 103.07 103.70 3gpa h GLY 100 Ca 0.16 -0.33 -0.27 0.00 0.00 0.00 0.00 47.33 46.89 3gpa h GLY 100 CO 0.01 0.31 -1.62 -0.55 0.00 0.00 0.00 176.54 174.68 3gpa h ASP 101 N 0.48 0.00 0.00 0.19 3.32 -0.86 -3.38 116.42 116.16 3gpa h ASP 101 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3gpa h ASP 101 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3gpa h ASP 101 CO 0.02 0.94 -0.34 0.18 -1.72 0.00 0.00 179.24 178.31 3gpa n LEU 102 N -3.04 0.00 -4.40 1.55 4.77 -0.53 -5.07 117.00 110.29 3gpa n LEU 102 Ca -0.15 -0.27 -0.22 0.00 -0.03 0.00 0.00 56.01 55.34 3gpa n LEU 102 Cb 1.01 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 42.00 3gpa n LEU 102 CO 0.45 0.00 -0.47 0.00 -1.33 0.00 0.00 177.39 176.04 3gpa s ALA 103 N -1.23 2.33 -0.25 -1.18 0.00 -0.31 -5.02 121.76 116.10 3gpa s ALA 103 Ca 0.00 -1.71 0.14 0.00 0.00 0.00 0.00 51.96 50.39 3gpa s ALA 103 Cb 0.00 -0.19 0.38 0.00 0.00 0.00 0.00 23.12 23.31 3gpa s ALA 103 CO 0.00 0.20 1.34 -1.71 0.00 0.00 0.00 175.76 175.60 3gpa n ASN 104 N -0.30 -0.51 -3.79 0.00 5.15 -1.26 -4.74 115.26 109.81 3gpa n ASN 104 Ca -0.08 -2.13 -0.13 0.00 -0.60 0.00 0.00 54.58 51.65 3gpa n ASN 104 Cb 0.59 0.29 -0.09 0.00 -0.53 0.00 0.00 39.78 40.04 3gpa n ASN 104 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3gpa s ASP 105 N -1.81 -0.16 0.52 1.20 -1.08 -1.26 -5.04 116.67 109.04 3gpa s ASP 105 Ca 0.14 0.11 0.31 0.00 -0.52 0.00 0.00 52.55 52.58 3gpa s ASP 105 Cb 0.35 0.34 1.23 0.00 -1.46 0.00 0.00 42.92 43.38 3gpa s ASP 105 CO -0.09 -0.36 1.94 0.16 0.52 0.00 0.00 175.17 177.34 3gpa h ILE 106 N 4.12 0.16 0.00 4.11 -0.00 -2.02 -3.37 117.51 120.51 3gpa h ILE 106 Ca -0.29 -0.68 -0.15 0.00 -0.00 0.00 0.00 64.86 63.74 3gpa h ILE 106 Cb 1.18 1.58 -0.02 0.00 -0.00 0.00 0.00 36.82 39.56 3gpa h ILE 106 CO 0.39 0.06 -1.30 -1.14 -0.00 0.00 0.00 178.15 176.16 3gpa n ARG 107 N -3.18 0.33 -2.78 0.16 0.63 -1.26 -4.84 116.66 105.72 3gpa n ARG 107 Ca 0.00 0.14 -0.43 0.00 -0.92 0.00 0.00 57.85 56.65 3gpa n ARG 107 Cb 0.34 -1.06 -0.02 0.00 0.45 0.00 0.00 32.46 32.16 3gpa n ARG 107 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3gpa s GLU 108 N -2.41 3.65 -0.12 -0.14 2.02 -1.26 -4.73 118.70 115.71 3gpa s GLU 108 Ca -0.20 -1.60 0.16 0.00 0.02 0.00 0.00 54.97 53.35 3gpa s GLU 108 Cb 0.06 -5.12 0.37 0.00 0.10 0.00 0.00 34.13 29.53 3gpa s GLU 108 CO 0.27 -1.96 1.18 0.27 0.02 0.00 0.00 175.26 175.04 3gpa n ASN 109 N 7.44 1.44 0.00 -0.19 0.23 -1.26 -4.04 115.26 118.88 3gpa n ASN 109 Ca 0.29 -3.06 0.00 0.00 -0.53 0.00 0.00 54.58 51.28 3gpa n ASN 109 Cb 0.49 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 3gpa n ASN 109 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3gpa n LEU 110 N -0.59 0.00 -3.73 -4.53 4.77 -1.26 -4.81 117.00 106.84 3gpa n LEU 110 Ca 0.13 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.98 3gpa n LEU 110 Cb 0.82 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.80 3gpa n LEU 110 CO -0.03 0.00 0.06 -0.51 -1.33 0.00 0.00 177.39 175.58 3gpa s ILE 111 N 0.00 -0.00 -0.03 -0.08 2.07 -1.26 -1.12 121.20 120.77 3gpa s ILE 111 Ca 0.00 0.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.27 3gpa s ILE 111 Cb 0.00 -0.55 -0.03 0.00 0.13 0.00 0.00 42.46 42.01 3gpa s ILE 111 CO 0.00 0.01 -0.03 -2.28 -1.91 0.00 0.00 174.94 170.72 3gpa s HIS 112 N 0.37 3.01 0.01 3.50 5.65 -0.02 -4.96 115.29 122.86 3gpa s HIS 112 Ca -0.01 0.06 0.01 0.00 0.25 0.00 0.00 55.06 55.37 3gpa s HIS 112 Cb -0.04 -1.69 -0.01 0.00 -1.18 0.00 0.00 32.58 29.67 3gpa s HIS 112 CO -0.01 0.41 -0.05 0.00 -0.65 0.00 0.00 174.74 174.44 3gpa s ALA 113 N -0.96 0.37 0.56 1.58 0.00 -1.26 -0.91 121.76 121.15 3gpa s ALA 113 Ca 0.16 -0.30 -0.21 0.00 0.00 0.00 0.00 51.96 51.61 3gpa s ALA 113 Cb -0.11 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 3gpa s ALA 113 CO 0.06 0.05 1.35 0.43 0.00 0.00 0.00 175.76 177.65 3gpa n SER 114 N 2.64 2.62 -0.36 0.00 7.64 -0.63 -4.94 113.62 120.59 3gpa n SER 114 Ca -0.15 0.96 0.05 0.00 1.01 0.00 0.00 58.87 60.74 3gpa n SER 114 Cb 0.58 -1.58 0.03 0.00 -1.01 0.00 0.00 64.21 62.23 3gpa n SER 114 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3gpa n ASP 115 N -1.13 1.69 -3.83 6.43 5.75 -1.26 -4.65 116.55 119.55 3gpa n ASP 115 Ca 0.11 -1.34 -0.08 0.00 -0.01 0.00 0.00 54.79 53.46 3gpa n ASP 115 Cb 0.45 0.10 -0.03 0.00 -1.03 0.00 0.00 41.12 40.61 3gpa n ASP 115 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3gpa s SER 116 N -0.92 -0.24 0.25 -1.12 1.04 -1.26 -4.93 113.70 106.52 3gpa s SER 116 Ca 0.11 -0.61 -0.05 0.00 0.48 0.00 0.00 55.95 55.88 3gpa s SER 116 Cb 0.08 0.65 0.29 0.00 0.10 0.00 0.00 66.02 67.14 3gpa s SER 116 CO 0.15 -1.20 1.85 -0.33 0.98 0.00 0.00 173.24 174.69 3gpa h GLU 117 N 2.11 1.11 -0.14 4.02 5.08 -1.96 0.18 114.58 124.99 3gpa h GLU 117 Ca -0.24 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 57.93 3gpa h GLU 117 Cb 1.26 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 3gpa h GLU 117 CO 0.31 0.85 -0.05 -0.44 -1.00 0.00 0.00 179.01 178.68 3gpa h ASP 118 N 1.11 0.30 -0.35 1.42 3.32 -2.00 -1.31 116.42 118.90 3gpa h ASP 118 Ca 0.27 -0.40 0.08 0.00 0.02 0.00 0.00 57.03 57.00 3gpa h ASP 118 Cb 0.11 -0.08 -0.08 0.00 0.22 0.00 0.00 39.33 39.50 3gpa h ASP 118 CO -0.03 0.63 -0.18 0.28 -1.72 0.00 0.00 179.24 178.21 3gpa h SER 119 N -0.03 -0.61 -0.10 6.45 0.02 -1.92 -2.38 113.55 114.98 3gpa h SER 119 Ca 0.03 0.14 0.01 0.00 -0.84 0.00 0.00 61.79 61.13 3gpa h SER 119 Cb 0.51 0.33 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 3gpa h SER 119 CO 0.02 -0.21 0.03 0.00 -1.14 0.00 0.00 176.83 175.52 3gpa h ALA 120 N 1.12 0.10 -0.28 3.77 0.00 -0.83 0.09 119.26 123.24 3gpa h ALA 120 Ca 0.18 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.14 3gpa h ALA 120 Cb 0.40 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3gpa h ALA 120 CO -0.43 -0.43 0.05 0.28 0.00 0.00 0.00 179.25 178.72 3gpa h VAL 121 N 0.08 0.86 -0.12 0.00 2.07 -1.13 -0.43 116.25 117.58 3gpa h VAL 121 Ca 0.04 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3gpa h VAL 121 Cb 0.02 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3gpa h VAL 121 CO -0.05 0.03 0.02 -0.78 0.02 0.00 0.00 177.57 176.81 3gpa h ASP 122 N 0.15 0.18 -0.55 0.57 3.58 -1.19 -2.11 116.42 117.05 3gpa h ASP 122 Ca 0.13 -0.25 -0.05 0.00 0.42 0.00 0.00 57.03 57.29 3gpa h ASP 122 Cb 0.14 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 3gpa h ASP 122 CO -0.18 0.38 0.16 -0.33 -2.88 0.00 0.00 179.24 176.39 3gpa h GLU 123 N -0.02 0.87 -0.84 0.28 5.08 -0.83 -0.15 114.58 118.96 3gpa h GLU 123 Ca 0.04 -0.20 0.10 0.00 -1.00 0.00 0.00 59.36 58.30 3gpa h GLU 123 Cb 0.27 -0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.33 3gpa h GLU 123 CO 0.00 0.80 0.48 0.82 -1.00 0.00 0.00 179.01 180.11 3gpa h ILE 124 N 0.77 0.89 -0.89 3.13 2.04 -1.07 -1.29 117.51 121.09 3gpa h ILE 124 Ca 0.18 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 3gpa h ILE 124 Cb 0.31 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 3gpa h ILE 124 CO -0.00 0.14 0.47 0.28 0.00 0.00 0.00 178.15 179.05 3gpa h SER 125 N 0.79 1.12 -0.26 1.72 0.02 -0.55 0.24 113.55 116.63 3gpa h SER 125 Ca 0.41 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.23 3gpa h SER 125 Cb 0.40 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 3gpa h SER 125 CO -0.26 0.90 0.07 0.40 -1.14 0.00 0.00 176.83 176.81 3gpa h ILE 126 N 1.25 1.20 0.00 3.27 2.04 -0.04 -2.94 117.51 122.29 3gpa h ILE 126 Ca 0.31 -0.65 -0.12 0.00 1.00 0.00 0.00 64.86 65.40 3gpa h ILE 126 Cb 0.04 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3gpa h ILE 126 CO -0.05 0.21 -1.18 -0.50 0.00 0.00 0.00 178.15 176.63 3gpa h TRP 127 N 0.25 0.00 -2.05 1.37 4.06 -1.06 -3.39 115.95 115.13 3gpa h TRP 127 Ca 0.08 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.47 3gpa h TRP 127 Cb 0.26 0.00 -0.40 0.00 -1.00 0.00 0.00 29.16 28.02 3gpa h TRP 127 CO 0.01 0.41 -1.00 1.19 -3.56 0.00 0.00 178.44 175.49 3gpa n PHE 128 N -2.88 0.65 -0.17 0.49 3.72 0.83 -4.95 117.46 115.15 3gpa n PHE 128 Ca -0.06 -3.72 0.07 0.00 -0.05 0.00 0.00 57.45 53.69 3gpa n PHE 128 Cb 0.75 -0.40 0.37 0.00 -0.94 0.00 0.00 39.48 39.25 3gpa n PHE 128 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3gpa h PRO 129 N 3.87 0.70 0.00 -1.08 0.13 -1.69 -3.41 132.00 130.52 3gpa h PRO 129 Ca 0.10 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3gpa h PRO 129 Cb 0.83 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3gpa h PRO 129 CO 0.55 0.46 0.00 -0.85 -0.23 0.00 0.00 178.00 177.93