#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpa s LEU 1 N 0.00 4.43 0.10 0.99 2.96 -1.26 0.15 118.68 126.06 3gpa s LEU 1 Ca 0.00 2.37 -0.05 0.00 -0.22 0.00 0.00 54.13 56.23 3gpa s LEU 1 Cb 0.00 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.06 3gpa s LEU 1 CO 0.00 -0.47 0.12 -1.10 -1.32 0.00 0.00 176.35 173.58 3gpa s GLN 2 N -0.32 0.86 0.06 1.98 -0.21 -0.35 -4.85 119.66 116.82 3gpa s GLN 2 Ca 0.55 -1.18 0.09 0.00 0.02 0.00 0.00 55.36 54.84 3gpa s GLN 2 Cb -0.35 0.29 -0.03 0.00 1.00 0.00 0.00 33.01 33.92 3gpa s GLN 2 CO 0.39 -0.25 -0.25 1.03 -2.12 0.00 0.00 175.29 174.09 3gpa s ARG 3 N -3.94 1.80 0.06 2.91 0.52 -1.26 -1.90 118.95 117.15 3gpa s ARG 3 Ca 0.12 -1.12 0.01 0.00 -0.52 0.00 0.00 55.73 54.22 3gpa s ARG 3 Cb 0.06 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 33.48 3gpa s ARG 3 CO -0.06 0.51 -0.05 -0.08 0.02 0.00 0.00 175.30 175.64 3gpa s THR 4 N -0.87 0.43 -0.19 0.02 -1.32 -0.56 -4.80 115.64 108.36 3gpa s THR 4 Ca 0.13 -1.66 -0.07 0.00 -1.21 0.00 0.00 61.69 58.88 3gpa s THR 4 Cb -0.10 -1.32 -0.04 0.00 -1.51 0.00 0.00 72.50 69.54 3gpa s THR 4 CO 0.03 -0.81 0.05 -0.22 -2.21 0.00 0.00 174.62 171.47 3gpa s LEU 5 N -2.62 3.67 -0.07 9.08 2.96 -1.26 -1.47 118.68 128.97 3gpa s LEU 5 Ca 0.04 -0.01 0.05 0.00 -0.22 0.00 0.00 54.13 53.99 3gpa s LEU 5 Cb 0.02 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 3gpa s LEU 5 CO -0.06 0.13 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.20 3gpa s VAL 6 N 0.64 2.41 -0.09 1.68 1.01 0.23 -2.07 120.40 124.21 3gpa s VAL 6 Ca 0.03 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.08 3gpa s VAL 6 Cb -0.13 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 3gpa s VAL 6 CO 0.02 0.57 -0.11 -0.76 0.00 0.00 0.00 175.10 174.81 3gpa s LEU 7 N -0.17 2.88 -0.32 3.92 1.43 -0.26 -0.05 118.68 126.10 3gpa s LEU 7 Ca -0.02 -0.19 -0.14 0.00 -1.03 0.00 0.00 54.13 52.74 3gpa s LEU 7 Cb -0.14 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 3gpa s LEU 7 CO 0.04 0.27 0.33 -0.63 0.23 0.00 0.00 176.35 176.58 3gpa s ILE 8 N -0.25 5.20 0.71 -0.59 1.01 0.11 -0.57 121.20 126.81 3gpa s ILE 8 Ca 0.02 0.13 -0.10 0.00 0.00 0.00 0.00 60.65 60.71 3gpa s ILE 8 Cb -0.13 -3.75 0.04 0.00 0.01 0.00 0.00 42.46 38.63 3gpa s ILE 8 CO 0.03 0.00 1.06 -0.54 0.00 0.00 0.00 174.94 175.49 3gpa s LYS 9 N 1.97 2.53 0.53 2.79 1.02 0.88 -2.73 119.74 126.73 3gpa s LYS 9 Ca 0.11 0.15 0.25 0.00 0.02 0.00 0.00 55.97 56.50 3gpa s LYS 9 Cb -0.16 -2.08 1.50 0.00 -0.52 0.00 0.00 37.83 36.56 3gpa s LYS 9 CO 0.11 -1.14 2.13 -1.35 -0.92 0.00 0.00 175.35 174.18 3gpa h PRO 10 N -0.64 0.00 0.00 -1.68 0.11 -1.84 -1.40 132.00 126.55 3gpa h PRO 10 Ca -0.45 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 3gpa h PRO 10 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 3gpa h PRO 10 CO 0.63 0.08 -0.16 0.38 -0.21 0.00 0.00 178.00 178.72 3gpa h ASP 11 N 0.00 0.00 -0.49 -2.05 2.03 -1.91 -1.63 116.42 112.38 3gpa h ASP 11 Ca -0.00 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.21 3gpa h ASP 11 Cb 0.19 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.67 3gpa h ASP 11 CO 0.01 0.16 -0.03 0.00 -1.03 0.00 0.00 179.24 178.35 3gpa h ALA 12 N 1.84 0.95 -0.26 4.15 0.00 -1.52 -1.07 119.26 123.35 3gpa h ALA 12 Ca -0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 3gpa h ALA 12 Cb 0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3gpa h ALA 12 CO 0.02 0.63 -0.07 0.74 0.00 0.00 0.00 179.25 180.57 3gpa h PHE 13 N 0.85 0.57 -0.94 0.00 -1.00 -1.46 0.45 116.94 115.42 3gpa h PHE 13 Ca 0.15 -0.13 0.12 0.00 2.81 0.00 0.00 57.97 60.92 3gpa h PHE 13 Cb 0.54 -0.14 -0.08 0.00 3.61 0.00 0.00 35.95 39.88 3gpa h PHE 13 CO 0.03 0.73 0.57 1.49 -1.61 0.00 0.00 178.31 179.52 3gpa h GLU 14 N 0.25 0.88 -0.59 1.51 4.57 -1.05 -2.74 114.58 117.41 3gpa h GLU 14 Ca 0.06 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3gpa h GLU 14 Cb 0.55 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 3gpa h GLU 14 CO 0.03 0.58 0.00 0.54 -1.18 0.00 0.00 179.01 178.98 3gpa n ARG 15 N -4.68 2.64 -3.69 1.92 1.74 -0.43 -4.97 116.66 109.20 3gpa n ARG 15 Ca 0.17 -2.49 -0.21 0.00 -0.77 0.00 0.00 57.85 54.55 3gpa n ARG 15 Cb 0.34 -1.52 0.04 0.00 -1.02 0.00 0.00 32.46 30.29 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 1.50 -1.47 -0.39 0.55 7.64 -0.61 -4.91 113.62 115.93 3gpa n SER 16 Ca 0.22 -0.80 0.04 0.00 1.01 0.00 0.00 58.87 59.34 3gpa n SER 16 Cb 0.60 -4.16 0.10 0.00 -1.01 0.00 0.00 64.21 59.74 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 -4.29 2.62 0.28 -3.43 4.77 0.05 -4.78 117.00 112.23 3gpa n LEU 17 Ca -0.28 -2.15 -0.16 0.00 -0.03 0.00 0.00 56.01 53.39 3gpa n LEU 17 Cb 0.67 -0.18 -0.08 0.00 -2.33 0.00 0.00 43.42 41.50 3gpa n LEU 17 CO 0.68 0.64 0.66 0.58 -1.33 0.00 0.00 177.39 178.62 3gpa h VAL 18 N 1.13 0.36 -0.38 4.08 2.07 -1.91 -1.23 116.25 120.36 3gpa h VAL 18 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 3gpa h VAL 18 Cb 0.72 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3gpa h VAL 18 CO 0.02 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 177.55 3gpa h ALA 19 N -0.31 1.19 -0.48 1.67 0.00 -1.94 -1.41 119.26 117.98 3gpa h ALA 19 Ca -0.05 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.64 3gpa h ALA 19 Cb 0.63 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3gpa h ALA 19 CO 0.04 0.52 0.24 1.49 0.00 0.00 0.00 179.25 181.54 3gpa h GLU 20 N 0.59 0.46 0.09 0.00 4.57 -1.80 0.36 114.58 118.86 3gpa h GLU 20 Ca 0.11 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 3gpa h GLU 20 Cb 0.46 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 3gpa h GLU 20 CO 0.02 0.30 -0.04 0.82 -1.18 0.00 0.00 179.01 178.93 3gpa h ILE 21 N 0.47 1.07 -0.59 2.32 2.04 -0.86 -2.54 117.51 119.42 3gpa h ILE 21 Ca 0.21 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 3gpa h ILE 21 Cb 0.12 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 3gpa h ILE 21 CO -0.15 0.14 0.31 0.24 0.00 0.00 0.00 178.15 178.69 3gpa h MET 22 N -0.38 0.81 -0.32 2.37 2.86 -1.04 -2.57 114.93 116.67 3gpa h MET 22 Ca -0.01 -0.09 -0.08 0.00 -2.06 0.00 0.00 59.70 57.46 3gpa h MET 22 Cb 0.32 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 3gpa h MET 22 CO 0.02 0.61 -0.13 0.78 1.06 0.00 0.00 176.91 179.25 3gpa h GLY 23 N 0.89 0.59 1.32 8.32 0.00 -0.18 0.29 103.07 114.29 3gpa h GLY 23 Ca 0.21 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 3gpa h GLY 23 CO -0.03 0.39 0.12 3.21 0.00 0.00 0.00 176.54 180.23 3gpa h ARG 24 N 0.50 0.85 -0.05 4.80 3.08 -1.04 -0.04 114.38 122.48 3gpa h ARG 24 Ca 0.09 -0.18 -0.24 0.00 0.07 0.00 0.00 59.98 59.72 3gpa h ARG 24 Cb 0.52 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.46 3gpa h ARG 24 CO 0.03 0.77 -0.92 0.82 -1.07 0.00 0.00 179.97 179.61 3gpa h ILE 25 N 0.82 1.31 -0.52 2.04 2.04 -1.34 -3.17 117.51 118.69 3gpa h ILE 25 Ca 0.18 -2.20 -0.01 0.00 1.00 0.00 0.00 64.86 63.83 3gpa h ILE 25 Cb 0.31 2.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.61 3gpa h ILE 25 CO 0.00 0.68 0.30 -0.08 0.00 0.00 0.00 178.15 179.05 3gpa h GLU 26 N 0.39 0.72 0.00 2.37 4.81 -0.69 -2.71 114.58 119.47 3gpa h GLU 26 Ca -0.09 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.07 3gpa h GLU 26 Cb 1.55 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.79 3gpa h GLU 26 CO 0.18 0.54 -0.00 0.87 -0.73 0.00 0.00 179.01 179.86 3gpa h LYS 27 N 0.70 0.00 -0.13 1.92 1.57 -1.05 -0.60 116.57 118.99 3gpa h LYS 27 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3gpa h LYS 27 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3gpa h LYS 27 CO -0.03 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.02 3gpa n LYS 28 N -3.10 1.59 -1.03 3.15 3.00 -1.03 -4.92 118.16 115.81 3gpa n LYS 28 Ca -0.01 -0.88 -0.01 0.00 -0.00 0.00 0.00 58.31 57.41 3gpa n LYS 28 Cb 0.23 -1.38 -0.00 0.00 0.00 0.00 0.00 35.03 33.88 3gpa n LYS 28 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3gpa n ASN 29 N 0.11 -3.13 -4.80 3.14 4.05 -0.23 -5.05 115.26 109.35 3gpa n ASN 29 Ca 0.16 0.03 -0.37 0.00 0.45 0.00 0.00 54.58 54.84 3gpa n ASN 29 Cb 0.28 -0.73 -0.06 0.00 1.23 0.00 0.00 39.78 40.50 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 -2.04 3.73 -0.02 1.20 0.40 -1.16 -4.92 117.98 115.17 3gpa s PHE 30 Ca 0.00 1.55 0.03 0.00 -0.60 0.00 0.00 56.93 57.90 3gpa s PHE 30 Cb 0.00 -2.73 -0.03 0.00 0.51 0.00 0.00 43.02 40.77 3gpa s PHE 30 CO 0.00 0.35 -0.08 0.15 0.70 0.00 0.00 175.22 176.34 3gpa s LYS 31 N -1.79 2.59 0.02 0.44 -0.14 -0.69 -4.50 119.74 115.68 3gpa s LYS 31 Ca 0.43 -0.67 -0.30 0.00 -1.36 0.00 0.00 55.97 54.06 3gpa s LYS 31 Cb -0.19 -2.51 -0.05 0.00 -1.68 0.00 0.00 37.83 33.41 3gpa s LYS 31 CO 0.23 0.62 1.18 0.42 -0.76 0.00 0.00 175.35 177.05 3gpa s ILE 32 N -0.91 4.18 -0.18 2.17 1.01 -1.26 -0.85 121.20 125.36 3gpa s ILE 32 Ca 0.15 1.55 0.05 0.00 0.00 0.00 0.00 60.65 62.39 3gpa s ILE 32 Cb -0.11 -3.99 -0.14 0.00 0.01 0.00 0.00 42.46 38.23 3gpa s ILE 32 CO 0.05 0.08 -0.10 0.52 0.00 0.00 0.00 174.94 175.48 3gpa n VAL 33 N 4.16 1.07 -3.57 2.92 0.31 0.67 -4.94 118.33 118.95 3gpa n VAL 33 Ca 0.09 -0.48 -0.10 0.00 -0.01 0.00 0.00 64.34 63.84 3gpa n VAL 33 Cb 0.47 -1.01 -0.02 0.00 -0.91 0.00 0.00 33.84 32.37 3gpa n VAL 33 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3gpa s SER 34 N -5.55 -0.45 -0.26 4.52 1.04 -1.18 -4.98 113.70 106.85 3gpa s SER 34 Ca -0.20 -0.21 -0.22 0.00 0.48 0.00 0.00 55.95 55.79 3gpa s SER 34 Cb 0.06 0.63 0.07 0.00 0.10 0.00 0.00 66.02 66.88 3gpa s SER 34 CO 0.49 -1.08 0.67 -0.32 0.98 0.00 0.00 173.24 173.98 3gpa s MET 35 N -3.81 0.77 -0.01 4.02 0.00 -1.26 -0.26 119.30 118.76 3gpa s MET 35 Ca 0.04 0.98 0.03 0.00 0.00 0.00 0.00 55.69 56.74 3gpa s MET 35 Cb -0.02 0.34 -0.01 0.00 0.00 0.00 0.00 34.83 35.14 3gpa s MET 35 CO -0.07 -0.10 -0.08 0.15 0.00 0.00 0.00 175.02 174.92 3gpa s LYS 36 N 0.56 0.70 -0.17 4.11 1.02 -0.37 -5.00 119.74 120.58 3gpa s LYS 36 Ca -0.02 -0.30 -0.05 0.00 0.02 0.00 0.00 55.97 55.63 3gpa s LYS 36 Cb -0.05 -0.67 -0.03 0.00 -0.52 0.00 0.00 37.83 36.56 3gpa s LYS 36 CO -0.02 0.17 0.01 0.12 -0.92 0.00 0.00 175.35 174.71 3gpa s PHE 37 N -0.15 3.11 -0.28 3.18 5.36 -1.26 -1.22 117.98 126.73 3gpa s PHE 37 Ca 0.03 -0.18 0.00 0.00 -0.96 0.00 0.00 56.93 55.81 3gpa s PHE 37 Cb -0.04 -2.03 0.05 0.00 -0.34 0.00 0.00 43.02 40.67 3gpa s PHE 37 CO -0.00 -0.00 -0.06 -1.58 -1.46 0.00 0.00 175.22 172.12 3gpa s TRP 38 N 0.48 3.24 0.39 10.12 0.52 0.30 -4.97 118.94 129.01 3gpa s TRP 38 Ca -0.01 -2.03 0.10 0.00 0.02 0.00 0.00 56.10 54.19 3gpa s TRP 38 Cb -0.14 -2.02 0.88 0.00 -1.15 0.00 0.00 33.47 31.04 3gpa s TRP 38 CO 0.02 -0.83 1.93 0.66 0.02 0.00 0.00 176.95 178.75 3gpa h SER 39 N 7.90 0.55 -1.59 2.95 4.64 -1.92 -1.31 113.55 124.78 3gpa h SER 39 Ca -0.22 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.11 3gpa h SER 39 Cb 1.06 -0.09 -0.24 0.00 -0.31 0.00 0.00 62.40 62.81 3gpa h SER 39 CO 0.51 0.32 -0.33 -0.75 -0.87 0.00 0.00 176.83 175.71 3gpa s LYS 40 N -5.57 0.47 0.28 4.77 2.20 -1.26 -3.16 119.74 117.47 3gpa s LYS 40 Ca -0.09 0.92 -0.29 0.00 -0.36 0.00 0.00 55.97 56.15 3gpa s LYS 40 Cb 0.20 0.25 -0.10 0.00 -1.51 0.00 0.00 37.83 36.67 3gpa s LYS 40 CO 0.77 -0.53 1.38 0.00 -0.36 0.00 0.00 175.35 176.61 3gpa s ALA 41 N 2.74 3.56 0.19 3.13 0.00 -1.26 -4.93 121.76 125.19 3gpa s ALA 41 Ca 0.12 1.29 -0.33 0.00 0.00 0.00 0.00 51.96 53.05 3gpa s ALA 41 Cb -0.14 -3.52 -0.14 0.00 0.00 0.00 0.00 23.12 19.31 3gpa s ALA 41 CO -0.18 -0.70 1.45 -2.30 0.00 0.00 0.00 175.76 174.03 3gpa n PRO 42 N 1.66 1.92 -0.33 0.00 -0.02 -1.26 -4.86 135.00 132.11 3gpa n PRO 42 Ca 0.04 0.69 0.07 0.00 -2.02 0.00 0.00 63.50 62.27 3gpa n PRO 42 Cb 0.41 -2.37 0.26 0.00 -0.02 0.00 0.00 33.50 31.77 3gpa n PRO 42 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3gpa h ARG 43 N 4.85 0.94 -0.81 -0.52 2.43 -1.98 -2.20 114.38 117.09 3gpa h ARG 43 Ca -0.45 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 58.68 3gpa h ARG 43 Cb 1.28 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 30.57 3gpa h ARG 43 CO 0.81 0.62 0.53 -0.97 -1.51 0.00 0.00 179.97 179.44 3gpa h ASN 44 N 0.97 0.90 -0.68 -3.80 -0.73 -1.99 -0.78 115.58 109.47 3gpa h ASN 44 Ca 0.45 -0.02 0.03 0.00 1.87 0.00 0.00 56.30 58.63 3gpa h ASN 44 Cb 0.42 -0.22 -0.04 0.00 0.27 0.00 0.00 38.32 38.75 3gpa h ASN 44 CO -0.21 0.64 0.43 -0.07 -0.37 0.00 0.00 177.43 177.84 3gpa h LEU 45 N 1.06 0.71 -0.42 0.34 4.07 -1.77 -0.08 115.31 119.21 3gpa h LEU 45 Ca 0.30 -0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.24 3gpa h LEU 45 Cb -0.08 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.49 3gpa h LEU 45 CO -0.08 0.49 0.18 0.40 -1.08 0.00 0.00 178.44 178.35 3gpa h ILE 46 N 0.84 1.19 -0.82 1.22 1.08 -1.22 0.16 117.51 119.97 3gpa h ILE 46 Ca 0.27 -0.59 -0.04 0.00 -0.39 0.00 0.00 64.86 64.11 3gpa h ILE 46 Cb -0.00 0.80 -0.04 0.00 -3.07 0.00 0.00 36.82 34.51 3gpa h ILE 46 CO -0.10 0.22 0.35 -0.33 -0.69 0.00 0.00 178.15 177.59 3gpa h GLU 47 N 0.53 1.21 -0.07 2.37 5.08 -0.87 -0.44 114.58 122.40 3gpa h GLU 47 Ca 0.14 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3gpa h GLU 47 Cb 0.17 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 3gpa h GLU 47 CO -0.01 0.96 0.02 1.96 -1.00 0.00 0.00 179.01 180.94 3gpa h GLN 48 N 1.18 0.10 -0.53 2.33 4.20 -0.85 -1.72 115.11 119.82 3gpa h GLN 48 Ca 0.27 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.06 3gpa h GLN 48 Cb 0.19 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.88 3gpa h GLN 48 CO -0.03 0.24 0.12 1.25 -0.67 0.00 0.00 178.83 179.74 3gpa h HIS 49 N -0.06 0.19 -0.88 2.96 2.76 -0.28 -2.32 115.15 117.52 3gpa h HIS 49 Ca 0.02 0.03 -0.42 0.00 -2.20 0.00 0.00 60.37 57.81 3gpa h HIS 49 Cb 0.18 -0.00 -0.25 0.00 1.55 0.00 0.00 27.41 28.89 3gpa h HIS 49 CO -0.01 0.00 0.50 0.66 -1.30 0.00 0.00 177.93 177.78 3gpa n TYR 50 N -5.10 2.77 -0.30 5.26 4.02 -0.21 -4.70 117.16 118.90 3gpa n TYR 50 Ca 0.06 -1.66 0.09 0.00 -0.01 0.00 0.00 57.90 56.39 3gpa n TYR 50 Cb 0.26 -0.85 0.32 0.00 -0.02 0.00 0.00 39.34 39.05 3gpa n TYR 50 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 3gpa h LYS 51 N 1.44 0.80 0.00 -0.72 2.10 -0.72 0.27 116.57 119.74 3gpa h LYS 51 Ca 0.51 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 59.11 3gpa h LYS 51 Cb 2.65 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 33.80 3gpa h LYS 51 CO 0.96 0.53 0.00 0.39 -2.00 0.00 0.00 179.45 179.33 3gpa n GLU 52 N -4.57 0.03 0.00 0.07 1.02 -1.26 -1.68 120.64 114.25 3gpa n GLU 52 Ca 0.17 0.28 0.09 0.00 -0.02 0.00 0.00 57.16 57.69 3gpa n GLU 52 Cb 0.39 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.35 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 -1.46 0.00 0.33 -0.32 8.25 0.08 -4.71 115.22 117.40 3gpa n HIS 53 Ca 0.03 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.68 3gpa n HIS 53 Cb 0.12 0.00 0.98 0.00 1.12 0.00 0.00 29.99 32.21 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 2.85 0.00 0.15 0.41 4.64 -1.32 0.07 113.55 120.34 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 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3gpa h SER 54 CO 0.00 0.00 -0.45 -0.62 -0.87 0.00 0.00 176.83 174.89 3gpa n GLU 55 N -2.98 0.79 -2.66 4.77 4.71 -1.26 -4.88 120.64 119.13 3gpa n GLU 55 Ca -0.02 -0.57 -0.34 0.00 -0.01 0.00 0.00 57.16 56.22 3gpa n GLU 55 Cb 0.26 -1.49 -0.05 0.00 -1.01 0.00 0.00 31.44 29.15 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 -2.60 4.06 0.58 3.49 -1.52 0.01 -4.91 119.66 118.77 3gpa s GLN 56 Ca 0.19 1.30 0.28 0.00 -1.95 0.00 0.00 55.36 55.18 3gpa s GLN 56 Cb 0.18 -2.24 1.57 0.00 -0.22 0.00 0.00 33.01 32.30 3gpa s GLN 56 CO 0.60 -0.20 2.02 0.66 -0.25 0.00 0.00 175.29 178.12 3gpa h SER 57 N 1.93 0.00 0.19 5.90 4.64 -1.93 -2.22 113.55 122.06 3gpa h SER 57 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3gpa h SER 57 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3gpa h SER 57 CO 0.61 0.00 -0.32 0.00 -0.87 0.00 0.00 176.83 176.25 3gpa n TYR 58 N -3.82 0.00 0.03 4.77 0.18 -1.26 -4.57 117.16 112.49 3gpa n TYR 58 Ca 0.05 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.72 3gpa n TYR 58 Cb 0.47 -0.10 -0.04 0.00 -0.38 0.00 0.00 39.34 39.29 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 1.40 -0.56 -0.68 -3.48 3.04 -1.64 0.10 116.94 115.12 3gpa h PHE 59 Ca 0.00 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.91 3gpa h PHE 59 Cb 0.56 0.26 -0.03 0.00 2.56 0.00 0.00 35.95 39.30 3gpa h PHE 59 CO 0.00 -0.29 0.17 -0.91 -2.02 0.00 0.00 178.31 175.25 3gpa h ASN 60 N -0.30 1.01 -0.10 0.41 2.35 -1.83 -0.73 115.58 116.39 3gpa h ASN 60 Ca 0.08 -0.21 -0.08 0.00 -0.55 0.00 0.00 56.30 55.54 3gpa h ASN 60 Cb 0.41 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 3gpa h ASN 60 CO -0.24 0.97 -0.19 0.44 -1.65 0.00 0.00 177.43 176.76 3gpa h ASP 61 N 1.02 0.49 -0.06 5.81 3.32 -1.76 -2.11 116.42 123.13 3gpa h ASP 61 Ca 0.21 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3gpa h ASP 61 Cb 0.35 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 3gpa h ASP 61 CO 0.00 0.70 -0.01 0.25 -1.72 0.00 0.00 179.24 178.46 3gpa h LEU 62 N 0.45 0.12 -0.24 1.55 5.85 -0.38 -1.73 115.31 120.93 3gpa h LEU 62 Ca 0.08 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.47 3gpa h LEU 62 Cb 0.59 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 3gpa h LEU 62 CO 0.04 0.45 0.03 0.00 -0.34 0.00 0.00 178.44 178.62 3gpa h ASP 64 N 0.12 -0.20 -0.44 0.00 3.32 -1.37 -2.06 116.42 115.80 3gpa h ASP 64 Ca 0.11 0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.28 3gpa h ASP 64 Cb 0.12 0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 3gpa h ASP 64 CO -0.16 -0.06 0.23 0.15 -1.72 0.00 0.00 179.24 177.68 3gpa h PHE 65 N 0.07 0.42 0.00 4.55 3.04 -0.81 -2.10 116.94 122.11 3gpa h PHE 65 Ca 0.17 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.14 3gpa h PHE 65 Cb 0.25 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 38.63 3gpa h PHE 65 CO -0.27 0.22 0.00 0.52 -2.02 0.00 0.00 178.31 176.76 3gpa h MET 66 N 0.46 0.00 -0.33 1.11 2.86 -0.34 -0.22 114.93 118.47 3gpa h MET 66 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 3gpa h MET 66 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 3gpa h MET 66 CO -0.12 0.00 0.00 1.55 1.06 0.00 0.00 176.91 179.40 3gpa n VAL 67 N -2.58 0.75 1.79 -2.22 3.14 -0.83 -4.58 118.33 113.80 3gpa n VAL 67 Ca -0.01 -0.87 0.14 0.00 -2.96 0.00 0.00 64.34 60.64 3gpa n VAL 67 Cb 0.12 0.70 0.74 0.00 -1.06 0.00 0.00 33.84 34.34 3gpa n VAL 67 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3gpa n SER 68 N 0.77 0.58 -3.03 6.55 3.41 -0.09 -4.82 113.62 116.99 3gpa n SER 68 Ca 0.13 -1.24 0.03 0.00 -0.26 0.00 0.00 58.87 57.53 3gpa n SER 68 Cb 0.44 -0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.39 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 1.05 0.28 3.73 5.00 0.00 -1.26 -5.08 105.19 108.91 3gpa n GLY 69 Ca 0.21 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 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 2.05 0.12 1.61 0.02 -1.19 -4.61 135.00 130.99 3gpa s PRO 70 Ca 0.22 1.48 0.02 0.00 0.02 0.00 0.00 61.00 62.73 3gpa s PRO 70 Cb -0.00 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 3gpa s PRO 70 CO -0.01 -1.85 -0.04 0.96 -0.33 0.00 0.00 177.00 175.73 3gpa s ILE 71 N -2.45 0.67 -0.09 2.83 -4.36 -0.49 -3.33 121.20 113.98 3gpa s ILE 71 Ca 0.68 -1.95 0.04 0.00 -0.26 0.00 0.00 60.65 59.16 3gpa s ILE 71 Cb -0.23 -1.82 -0.00 0.00 1.25 0.00 0.00 42.46 41.67 3gpa s ILE 71 CO 0.50 -0.75 -0.23 -0.63 0.24 0.00 0.00 174.94 174.07 3gpa s ILE 72 N -3.64 1.95 -0.21 8.37 1.01 -1.11 -0.54 121.20 127.03 3gpa s ILE 72 Ca 0.16 -0.96 -0.07 0.00 0.00 0.00 0.00 60.65 59.77 3gpa s ILE 72 Cb 0.06 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 3gpa s ILE 72 CO -0.02 0.54 0.07 -0.94 0.00 0.00 0.00 174.94 174.58 3gpa s SER 73 N 0.28 5.44 -0.04 3.58 1.04 -0.35 -0.72 113.70 122.93 3gpa s SER 73 Ca -0.16 -0.04 0.05 0.00 0.48 0.00 0.00 55.95 56.28 3gpa s SER 73 Cb -0.17 -1.95 -0.00 0.00 0.10 0.00 0.00 66.02 63.99 3gpa s SER 73 CO 0.07 0.08 -0.18 -0.63 0.98 0.00 0.00 173.24 173.57 3gpa s ILE 74 N 0.91 1.47 -0.29 -1.02 1.01 0.92 -1.23 121.20 122.97 3gpa s ILE 74 Ca 0.04 -0.74 -0.12 0.00 0.00 0.00 0.00 60.65 59.83 3gpa s ILE 74 Cb -0.14 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 3gpa s ILE 74 CO 0.03 0.42 0.23 -0.69 0.00 0.00 0.00 174.94 174.93 3gpa s VAL 75 N -0.01 5.28 0.10 2.92 1.01 0.64 -0.60 120.40 129.75 3gpa s VAL 75 Ca -0.03 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.16 3gpa s VAL 75 Cb -0.11 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 3gpa s VAL 75 CO 0.02 0.19 0.10 -0.31 0.00 0.00 0.00 175.10 175.10 3gpa s TYR 76 N 1.81 3.19 -0.01 5.22 1.51 -0.54 -0.24 117.35 128.29 3gpa s TYR 76 Ca 0.08 0.06 0.02 0.00 -1.01 0.00 0.00 57.07 56.22 3gpa s TYR 76 Cb -0.16 -1.59 0.00 0.00 -0.11 0.00 0.00 41.96 40.09 3gpa s TYR 76 CO 0.11 0.52 -0.07 -2.00 -1.11 0.00 0.00 175.55 173.00 3gpa s GLU 77 N -2.58 0.69 0.00 -0.62 2.12 -0.03 -1.50 118.70 116.78 3gpa s GLU 77 Ca 0.30 -0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.38 3gpa s GLU 77 Cb -0.12 -0.67 0.00 0.00 0.26 0.00 0.00 34.13 33.60 3gpa s GLU 77 CO 0.22 0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.47 3gpa n GLY 78 N 3.13 -0.27 3.70 -1.50 0.00 -0.80 -1.70 105.19 107.76 3gpa n GLY 78 Ca -0.16 -1.07 -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 2.88 -1.48 2.61 2.01 -1.26 -1.21 115.64 117.19 3gpa s THR 79 Ca 0.00 0.51 -0.05 0.00 0.31 0.00 0.00 61.69 62.46 3gpa s THR 79 Cb 0.00 -3.33 0.02 0.00 0.01 0.00 0.00 72.50 69.20 3gpa s THR 79 CO 0.00 0.02 0.47 -0.67 -0.69 0.00 0.00 174.62 173.75 3gpa n ASP 80 N 4.72 -5.35 -0.24 3.53 4.64 0.12 -4.85 116.55 119.12 3gpa n ASP 80 Ca 0.15 -0.25 0.01 0.00 -1.38 0.00 0.00 54.79 53.32 3gpa n ASP 80 Cb 0.40 -4.37 0.13 0.00 -1.04 0.00 0.00 41.12 36.24 3gpa n ASP 80 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3gpa h ALA 81 N 1.00 0.97 0.47 -1.67 0.00 -1.73 -1.29 119.26 117.02 3gpa h ALA 81 Ca -0.48 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3gpa h ALA 81 Cb 1.34 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3gpa h ALA 81 CO 0.55 -0.03 -0.23 0.82 0.00 0.00 0.00 179.25 180.35 3gpa h ILE 82 N 0.61 0.53 -0.48 0.00 2.04 -1.88 0.75 117.51 119.08 3gpa h ILE 82 Ca 0.35 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 66.11 3gpa h ILE 82 Cb 0.35 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 3gpa h ILE 82 CO -0.26 0.00 0.03 -1.28 0.00 0.00 0.00 178.15 176.64 3gpa h SER 83 N -0.65 0.81 -0.38 1.72 0.87 -1.85 -2.24 113.55 111.82 3gpa h SER 83 Ca -0.07 -0.29 -0.09 0.00 -1.23 0.00 0.00 61.79 60.12 3gpa h SER 83 Cb 0.50 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 3gpa h SER 83 CO 0.11 0.90 -0.10 0.11 -0.53 0.00 0.00 176.83 177.32 3gpa h LYS 84 N 0.69 0.74 -0.09 2.24 1.79 -1.00 -1.17 116.57 119.77 3gpa h LYS 84 Ca 0.14 -0.29 -0.11 0.00 -2.18 0.00 0.00 60.65 58.21 3gpa h LYS 84 Cb 0.47 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 3gpa h LYS 84 CO 0.02 0.89 -0.43 0.82 -1.08 0.00 0.00 179.45 179.66 3gpa h ILE 85 N 0.54 1.32 -0.76 1.86 2.04 -0.88 -0.71 117.51 120.93 3gpa h ILE 85 Ca 0.10 -1.57 -0.04 0.00 1.00 0.00 0.00 64.86 64.34 3gpa h ILE 85 Cb 0.61 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 3gpa h ILE 85 CO 0.04 0.47 0.31 0.03 0.00 0.00 0.00 178.15 179.00 3gpa h ARG 86 N 0.18 1.12 -0.52 2.37 2.47 -1.13 -0.84 114.38 118.03 3gpa h ARG 86 Ca 0.01 -0.19 -0.09 0.00 -1.26 0.00 0.00 59.98 58.45 3gpa h ARG 86 Cb 0.84 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.96 3gpa h ARG 86 CO 0.07 0.90 -0.02 0.00 0.56 0.00 0.00 179.97 181.47 3gpa h ARG 87 N 1.10 0.93 -0.84 0.04 3.08 -0.74 -1.55 114.38 116.40 3gpa h ARG 87 Ca 0.26 -0.31 0.02 0.00 0.07 0.00 0.00 59.98 60.02 3gpa h ARG 87 Cb 0.19 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 3gpa h ARG 87 CO -0.02 0.96 0.55 -0.07 -1.07 0.00 0.00 179.97 180.32 3gpa h LEU 88 N 0.80 0.92 0.13 3.04 4.07 -0.88 -2.78 115.31 120.61 3gpa h LEU 88 Ca 0.14 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.09 3gpa h LEU 88 Cb 0.56 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 42.08 3gpa h LEU 88 CO 0.03 0.65 -0.08 -0.61 -1.08 0.00 0.00 178.44 177.35 3gpa h GLN 89 N 1.09 -0.20 0.00 1.13 4.15 -0.98 0.11 115.11 120.40 3gpa h GLN 89 Ca 0.33 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.76 3gpa h GLN 89 Cb -0.05 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3gpa h GLN 89 CO -0.10 -0.14 0.00 0.41 -1.93 0.00 0.00 178.83 177.08 3gpa n GLY 90 N -1.19 1.91 3.45 2.39 0.00 -0.60 -1.32 105.19 109.83 3gpa n GLY 90 Ca -0.08 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.16 0.00 1.61 2.20 -1.26 -4.83 114.94 108.50 3gpa s ASN 91 Ca 0.00 -0.59 0.22 0.00 -0.94 0.00 0.00 52.86 51.54 3gpa s ASN 91 Cb 0.00 0.52 1.13 0.00 -2.00 0.00 0.00 41.25 40.90 3gpa s ASN 91 CO 0.00 -0.99 1.70 2.30 -2.94 0.00 0.00 177.10 177.17 3gpa n ILE 92 N -0.29 0.27 -0.03 0.54 -5.35 -1.26 -2.15 119.36 111.10 3gpa n ILE 92 Ca -0.10 0.07 -0.21 0.00 -0.27 0.00 0.00 62.75 62.24 3gpa n ILE 92 Cb 0.63 -0.71 -0.13 0.00 -1.74 0.00 0.00 39.64 37.68 3gpa n ILE 92 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3gpa h LEU 93 N 0.00 0.28 -8.54 7.28 3.38 -1.88 -3.44 115.31 112.40 3gpa h LEU 93 Ca 0.00 -0.79 -0.71 0.00 0.09 0.00 0.00 57.88 56.47 3gpa h LEU 93 Cb 0.17 -0.09 -0.21 0.00 0.09 0.00 0.00 40.66 40.62 3gpa h LEU 93 CO 0.00 1.66 -0.42 -0.89 0.09 0.00 0.00 178.44 178.87 3gpa s THR 94 N -2.47 5.25 0.85 0.22 2.01 -1.17 -4.99 115.64 115.34 3gpa s THR 94 Ca -0.23 -0.57 -0.11 0.00 0.31 0.00 0.00 61.69 61.09 3gpa s THR 94 Cb 0.05 -3.90 0.11 0.00 0.01 0.00 0.00 72.50 68.77 3gpa s THR 94 CO 0.72 -0.27 1.14 -2.84 -0.69 0.00 0.00 174.62 172.68 3gpa s PRO 95 N 1.71 1.48 0.00 4.92 0.02 -1.26 -3.84 135.00 138.03 3gpa s PRO 95 Ca 0.06 1.46 0.00 0.00 0.02 0.00 0.00 61.00 62.54 3gpa s PRO 95 Cb -0.19 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.55 3gpa s PRO 95 CO 0.10 -2.27 0.00 0.41 -0.33 0.00 0.00 177.00 174.91 3gpa n GLY 96 N -0.17 1.92 3.85 0.52 0.00 -1.26 -4.90 105.19 105.14 3gpa n GLY 96 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.46 2.41 0.09 2.61 -4.23 -1.25 -4.94 115.64 107.87 3gpa s THR 97 Ca 0.00 -1.45 -0.33 0.00 -1.18 0.00 0.00 61.69 58.74 3gpa s THR 97 Cb 0.00 -2.86 -0.15 0.00 1.34 0.00 0.00 72.50 70.84 3gpa s THR 97 CO 0.00 0.00 1.60 0.40 -0.54 0.00 0.00 174.62 176.08 3gpa h ILE 98 N 1.07 0.20 -0.22 2.99 2.04 -1.01 0.13 117.51 122.71 3gpa h ILE 98 Ca -0.41 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.35 3gpa h ILE 98 Cb 1.27 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3gpa h ILE 98 CO 0.60 0.00 -0.31 0.03 0.00 0.00 0.00 178.15 178.47 3gpa h ARG 99 N -0.85 0.45 -0.53 2.37 3.08 -1.43 -0.09 114.38 117.38 3gpa h ARG 99 Ca -0.04 -0.19 -0.07 0.00 0.07 0.00 0.00 59.98 59.75 3gpa h ARG 99 Cb 0.74 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 3gpa h ARG 99 CO -0.04 0.71 0.03 0.78 -1.07 0.00 0.00 179.97 180.39 3gpa h GLY 100 N 1.06 0.94 0.90 0.04 0.00 -1.11 -0.80 103.07 104.10 3gpa h GLY 100 Ca 0.05 -0.63 -0.32 0.00 0.00 0.00 0.00 47.33 46.44 3gpa h GLY 100 CO 0.06 0.58 -1.78 -0.55 0.00 0.00 0.00 176.54 174.85 3gpa h ASP 101 N 0.82 0.16 0.00 0.19 3.32 -0.67 -3.38 116.42 116.87 3gpa h ASP 101 Ca 0.16 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.86 3gpa h ASP 101 Cb 0.45 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3gpa h ASP 101 CO 0.02 1.31 -1.00 0.18 -1.72 0.00 0.00 179.24 178.02 3gpa n LEU 102 N -3.22 0.05 -4.53 1.55 4.77 -0.06 -5.06 117.00 110.51 3gpa n LEU 102 Ca -0.21 -0.12 -0.25 0.00 -0.03 0.00 0.00 56.01 55.40 3gpa n LEU 102 Cb 1.05 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 42.05 3gpa n LEU 102 CO 0.45 0.01 -0.43 0.00 -1.33 0.00 0.00 177.39 176.09 3gpa s ALA 103 N -2.15 2.88 -0.26 -1.18 0.00 -0.31 -5.01 121.76 115.73 3gpa s ALA 103 Ca -0.01 -1.70 0.14 0.00 0.00 0.00 0.00 51.96 50.39 3gpa s ALA 103 Cb 0.03 -0.52 0.38 0.00 0.00 0.00 0.00 23.12 23.02 3gpa s ALA 103 CO 0.21 0.33 1.36 -1.71 0.00 0.00 0.00 175.76 175.96 3gpa n ASN 104 N -0.44 -0.61 -3.85 0.00 5.15 -1.26 -4.73 115.26 109.52 3gpa n ASN 104 Ca -0.08 -2.13 -0.11 0.00 -0.60 0.00 0.00 54.58 51.66 3gpa n ASN 104 Cb 0.58 0.33 -0.09 0.00 -0.53 0.00 0.00 39.78 40.07 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 -1.75 0.02 0.34 1.20 -1.08 -1.26 -5.05 116.67 109.09 3gpa s ASP 105 Ca 0.13 -0.30 0.18 0.00 -0.52 0.00 0.00 52.55 52.04 3gpa s ASP 105 Cb 0.36 0.26 0.28 0.00 -1.46 0.00 0.00 42.92 42.37 3gpa s ASP 105 CO -0.09 -0.50 1.55 -0.29 0.52 0.00 0.00 175.17 176.36 3gpa h ILE 106 N 3.71 0.68 0.00 4.11 2.10 -2.02 -3.39 117.51 122.70 3gpa h ILE 106 Ca -0.32 -1.82 -0.28 0.00 1.08 0.00 0.00 64.86 63.53 3gpa h ILE 106 Cb 1.19 2.23 -0.04 0.00 -1.09 0.00 0.00 36.82 39.10 3gpa h ILE 106 CO 0.46 0.37 -1.88 -1.14 -1.08 0.00 0.00 178.15 174.87 3gpa n ARG 107 N -3.25 0.49 -2.94 2.19 0.63 -1.26 -4.83 116.66 107.69 3gpa n ARG 107 Ca 0.02 0.21 -0.44 0.00 -0.92 0.00 0.00 57.85 56.72 3gpa n ARG 107 Cb 0.64 -1.33 -0.02 0.00 0.45 0.00 0.00 32.46 32.20 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 -2.54 3.62 -0.13 -0.14 2.02 -1.26 -4.75 118.70 115.52 3gpa s GLU 108 Ca -0.31 -1.82 0.18 0.00 0.02 0.00 0.00 54.97 53.05 3gpa s GLU 108 Cb 0.10 -4.91 0.44 0.00 0.10 0.00 0.00 34.13 29.85 3gpa s GLU 108 CO 0.40 -1.76 1.19 0.27 0.02 0.00 0.00 175.26 175.37 3gpa n ASN 109 N 6.45 1.67 0.00 -0.19 0.23 -1.26 -4.07 115.26 118.09 3gpa n ASN 109 Ca 0.24 -2.89 0.00 0.00 -0.53 0.00 0.00 54.58 51.41 3gpa n ASN 109 Cb 0.49 -0.41 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 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 -0.34 0.00 -3.82 -4.53 4.77 -1.26 -4.81 117.00 107.01 3gpa n LEU 110 Ca 0.14 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.00 3gpa n LEU 110 Cb 0.92 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.90 3gpa n LEU 110 CO 0.01 0.00 -0.14 -0.51 -1.33 0.00 0.00 177.39 175.42 3gpa s ILE 111 N 0.00 0.02 -0.02 -0.08 2.07 -1.26 -0.09 121.20 121.84 3gpa s ILE 111 Ca 0.00 -0.17 0.03 0.00 -1.41 0.00 0.00 60.65 59.10 3gpa s ILE 111 Cb 0.00 -0.33 -0.03 0.00 0.13 0.00 0.00 42.46 42.23 3gpa s ILE 111 CO 0.00 -0.09 -0.10 -2.28 -1.91 0.00 0.00 174.94 170.55 3gpa s HIS 112 N -0.28 2.81 -0.01 3.50 5.65 0.27 -4.95 115.29 122.27 3gpa s HIS 112 Ca -0.04 -0.08 0.00 0.00 0.25 0.00 0.00 55.06 55.19 3gpa s HIS 112 Cb -0.03 -1.62 0.01 0.00 -1.18 0.00 0.00 32.58 29.76 3gpa s HIS 112 CO 0.01 0.30 -0.01 0.00 -0.65 0.00 0.00 174.74 174.39 3gpa s ALA 113 N -0.87 0.19 0.51 1.58 0.00 -1.26 -1.11 121.76 120.81 3gpa s ALA 113 Ca 0.14 0.04 -0.21 0.00 0.00 0.00 0.00 51.96 51.93 3gpa s ALA 113 Cb -0.11 -0.14 -0.08 0.00 0.00 0.00 0.00 23.12 22.79 3gpa s ALA 113 CO 0.04 -0.01 0.88 0.43 0.00 0.00 0.00 175.76 177.10 3gpa n SER 114 N 3.48 0.57 -0.37 0.00 7.64 -0.88 -4.93 113.62 119.13 3gpa n SER 114 Ca -0.18 0.89 0.05 0.00 1.01 0.00 0.00 58.87 60.64 3gpa n SER 114 Cb 0.56 -1.32 0.03 0.00 -1.01 0.00 0.00 64.21 62.47 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 0.07 1.71 -3.74 6.43 5.75 -1.26 -4.74 116.55 120.77 3gpa n ASP 115 Ca 0.11 -1.35 -0.08 0.00 -0.01 0.00 0.00 54.79 53.46 3gpa n ASP 115 Cb 0.44 0.13 -0.02 0.00 -1.03 0.00 0.00 41.12 40.63 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 -1.01 -0.11 0.18 -1.12 1.04 -1.26 -4.95 113.70 106.47 3gpa s SER 116 Ca 0.11 -0.83 -0.09 0.00 0.48 0.00 0.00 55.95 55.62 3gpa s SER 116 Cb 0.09 0.70 0.06 0.00 0.10 0.00 0.00 66.02 66.97 3gpa s SER 116 CO 0.16 -1.33 1.63 -0.33 0.98 0.00 0.00 173.24 174.36 3gpa h GLU 117 N 2.08 1.07 -0.11 4.02 5.08 -1.97 -1.18 114.58 123.58 3gpa h GLU 117 Ca -0.23 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 57.76 3gpa h GLU 117 Cb 1.25 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 3gpa h GLU 117 CO 0.30 1.05 0.01 -0.44 -1.00 0.00 0.00 179.01 178.93 3gpa h ASP 118 N 0.97 0.18 0.28 1.42 3.32 -2.00 -2.01 116.42 118.58 3gpa h ASP 118 Ca 0.17 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 56.87 3gpa h ASP 118 Cb 0.57 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3gpa h ASP 118 CO 0.03 0.41 -0.31 0.77 -1.72 0.00 0.00 179.24 178.42 3gpa h SER 119 N -0.07 0.06 -0.08 6.45 4.64 -1.95 -1.53 113.55 121.08 3gpa h SER 119 Ca 0.03 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3gpa h SER 119 Cb 0.31 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3gpa h SER 119 CO 0.00 0.38 0.01 0.00 -0.87 0.00 0.00 176.83 176.35 3gpa h ALA 120 N 1.63 0.10 -0.53 5.18 0.00 -1.10 0.29 119.26 124.83 3gpa h ALA 120 Ca 0.01 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3gpa h ALA 120 Cb 0.59 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3gpa h ALA 120 CO 0.04 -0.24 0.32 0.28 0.00 0.00 0.00 179.25 179.65 3gpa h VAL 121 N -0.12 1.06 -0.10 0.00 2.07 -1.14 -0.55 116.25 117.46 3gpa h VAL 121 Ca 0.02 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 3gpa h VAL 121 Cb 0.30 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3gpa h VAL 121 CO 0.00 0.12 -0.01 -0.78 0.02 0.00 0.00 177.57 176.92 3gpa h ASP 122 N 0.64 0.19 -0.49 0.57 3.58 -1.14 -2.22 116.42 117.55 3gpa h ASP 122 Ca 0.21 -0.34 -0.05 0.00 0.42 0.00 0.00 57.03 57.27 3gpa h ASP 122 Cb 0.02 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 3gpa h ASP 122 CO -0.09 0.49 0.14 -0.33 -2.88 0.00 0.00 179.24 176.56 3gpa h GLU 123 N -0.11 0.83 -0.72 0.28 5.08 -0.26 -1.82 114.58 117.86 3gpa h GLU 123 Ca 0.03 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 3gpa h GLU 123 Cb 0.40 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3gpa h GLU 123 CO 0.01 0.75 0.31 0.82 -1.00 0.00 0.00 179.01 179.89 3gpa h ILE 124 N 0.80 1.25 -0.04 3.13 2.04 -1.05 -2.40 117.51 121.24 3gpa h ILE 124 Ca 0.18 -0.75 -0.05 0.00 1.00 0.00 0.00 64.86 65.24 3gpa h ILE 124 Cb 0.29 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3gpa h ILE 124 CO -0.00 0.30 -0.20 0.77 0.00 0.00 0.00 178.15 179.02 3gpa h SER 125 N 1.03 0.06 0.09 1.72 4.64 -0.85 0.32 113.55 120.57 3gpa h SER 125 Ca 0.24 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3gpa h SER 125 Cb 0.18 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3gpa h SER 125 CO -0.02 0.27 -0.04 0.40 -0.87 0.00 0.00 176.83 176.57 3gpa h ILE 126 N 0.06 1.15 0.00 0.95 2.04 -0.90 -3.06 117.51 117.75 3gpa h ILE 126 Ca 0.01 -1.03 -0.10 0.00 1.00 0.00 0.00 64.86 64.74 3gpa h ILE 126 Cb 0.40 1.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 3gpa h ILE 126 CO 0.03 0.24 -0.74 -0.50 0.00 0.00 0.00 178.15 177.18 3gpa h TRP 127 N -0.61 0.00 -2.09 1.37 4.06 -1.31 -3.38 115.95 113.99 3gpa h TRP 127 Ca -0.01 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.40 3gpa h TRP 127 Cb 0.49 0.00 -0.40 0.00 -1.00 0.00 0.00 29.16 28.25 3gpa h TRP 127 CO 0.08 0.42 -0.98 1.19 -3.56 0.00 0.00 178.44 175.59 3gpa n PHE 128 N -3.07 1.34 1.40 0.49 3.72 0.11 -5.03 117.46 116.43 3gpa n PHE 128 Ca -0.01 -3.84 0.11 0.00 -0.05 0.00 0.00 57.45 53.66 3gpa n PHE 128 Cb 0.72 -0.44 0.67 0.00 -0.94 0.00 0.00 39.48 39.49 3gpa n PHE 128 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36