#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 4.36 0.25 0.99 2.96 -1.26 -0.88 118.68 125.10 3gpa s LEU 1 Ca 0.00 2.40 0.04 0.00 -0.22 0.00 0.00 54.13 56.36 3gpa s LEU 1 Cb 0.00 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.06 3gpa s LEU 1 CO 0.00 -0.79 -0.00 -1.10 -1.32 0.00 0.00 176.35 173.13 3gpa s GLN 2 N 1.99 1.42 0.04 1.98 -0.21 -0.56 -4.89 119.66 119.43 3gpa s GLN 2 Ca 0.69 -1.73 0.09 0.00 0.02 0.00 0.00 55.36 54.43 3gpa s GLN 2 Cb -0.38 -0.74 -0.03 0.00 1.00 0.00 0.00 33.01 32.86 3gpa s GLN 2 CO 0.30 -0.09 -0.25 1.03 -2.12 0.00 0.00 175.29 174.16 3gpa s ARG 3 N -3.85 1.85 0.09 2.91 0.52 -1.26 -1.85 118.95 117.36 3gpa s ARG 3 Ca 0.30 -1.09 0.02 0.00 -0.52 0.00 0.00 55.73 54.44 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 0.10 0.52 -0.06 -0.08 0.02 0.00 0.00 175.30 175.80 3gpa s THR 4 N -0.81 0.62 -0.19 0.02 -1.32 -0.23 -4.78 115.64 108.95 3gpa s THR 4 Ca 0.12 -1.80 -0.06 0.00 -1.21 0.00 0.00 61.69 58.74 3gpa s THR 4 Cb -0.10 -1.51 -0.03 0.00 -1.51 0.00 0.00 72.50 69.35 3gpa s THR 4 CO 0.02 -0.82 0.03 -0.22 -2.21 0.00 0.00 174.62 171.43 3gpa s LEU 5 N -2.82 3.53 -0.09 9.08 2.96 -1.26 -1.48 118.68 128.61 3gpa s LEU 5 Ca 0.08 -0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.96 3gpa s LEU 5 Cb 0.03 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 3gpa s LEU 5 CO -0.05 0.11 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.21 3gpa s VAL 6 N 0.73 2.55 -0.16 1.68 1.01 -0.32 -1.66 120.40 124.23 3gpa s VAL 6 Ca 0.02 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 3gpa s VAL 6 Cb -0.14 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 3gpa s VAL 6 CO 0.02 0.56 -0.04 -0.76 0.00 0.00 0.00 175.10 174.88 3gpa s LEU 7 N 0.03 3.22 -0.30 3.92 1.43 0.09 -0.80 118.68 126.27 3gpa s LEU 7 Ca -0.07 -0.15 -0.20 0.00 -1.03 0.00 0.00 54.13 52.68 3gpa s LEU 7 Cb -0.15 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 3gpa s LEU 7 CO 0.05 0.16 0.62 -0.63 0.23 0.00 0.00 176.35 176.78 3gpa s ILE 8 N 0.42 4.95 0.70 -0.59 1.09 -0.03 -0.07 121.20 127.66 3gpa s ILE 8 Ca -0.04 0.85 -0.10 0.00 -1.10 0.00 0.00 60.65 60.27 3gpa s ILE 8 Cb -0.14 -3.99 0.03 0.00 -1.06 0.00 0.00 42.46 37.30 3gpa s ILE 8 CO 0.03 -0.13 1.05 -0.54 -0.10 0.00 0.00 174.94 175.25 3gpa s LYS 9 N 2.59 2.62 0.52 2.79 1.02 0.47 -2.65 119.74 127.09 3gpa s LYS 9 Ca 0.25 0.19 0.25 0.00 0.02 0.00 0.00 55.97 56.68 3gpa s LYS 9 Cb -0.15 -2.09 1.45 0.00 -0.52 0.00 0.00 37.83 36.52 3gpa s LYS 9 CO 0.12 -1.09 2.10 -1.35 -0.92 0.00 0.00 175.35 174.21 3gpa h PRO 10 N -0.61 0.00 0.00 -1.68 0.11 -1.83 -1.42 132.00 126.57 3gpa h PRO 10 Ca -0.45 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 3gpa h PRO 10 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3gpa h PRO 10 CO 0.63 0.11 -0.19 0.38 -0.21 0.00 0.00 178.00 178.72 3gpa h ASP 11 N 0.00 0.00 -0.35 -2.05 2.03 -1.91 -1.35 116.42 112.79 3gpa h ASP 11 Ca -0.00 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.20 3gpa h ASP 11 Cb 0.26 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.75 3gpa h ASP 11 CO 0.01 0.19 -0.15 0.00 -1.03 0.00 0.00 179.24 178.26 3gpa h ALA 12 N 1.81 0.92 -0.25 4.15 0.00 -1.52 -0.05 119.26 124.32 3gpa h ALA 12 Ca -0.00 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 3gpa h ALA 12 Cb 0.42 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3gpa h ALA 12 CO 0.02 0.62 -0.41 0.74 0.00 0.00 0.00 179.25 180.23 3gpa h PHE 13 N 0.72 0.89 -0.99 0.00 -1.00 -1.43 0.30 116.94 115.43 3gpa h PHE 13 Ca 0.11 -0.31 0.00 0.00 2.81 0.00 0.00 57.97 60.59 3gpa h PHE 13 Cb 0.65 -0.17 -0.05 0.00 3.61 0.00 0.00 35.95 39.99 3gpa h PHE 13 CO 0.03 1.08 0.63 1.49 -1.61 0.00 0.00 178.31 179.94 3gpa h GLU 14 N 0.44 1.31 -0.60 1.51 4.22 -1.02 -2.59 114.58 117.86 3gpa h GLU 14 Ca 0.02 -0.09 0.00 0.00 0.08 0.00 0.00 59.36 59.37 3gpa h GLU 14 Cb 1.01 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3gpa h GLU 14 CO 0.09 0.89 0.00 0.54 -2.18 0.00 0.00 179.01 178.35 3gpa n ARG 15 N -4.37 2.41 -3.73 1.92 1.74 -0.06 -4.96 116.66 109.61 3gpa n ARG 15 Ca 0.11 -2.19 -0.24 0.00 -0.77 0.00 0.00 57.85 54.77 3gpa n ARG 15 Cb 0.03 -1.48 0.04 0.00 -1.02 0.00 0.00 32.46 30.03 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 1.28 -2.73 -0.34 0.55 7.64 -0.69 -4.90 113.62 114.43 3gpa n SER 16 Ca 0.20 -0.77 0.04 0.00 1.01 0.00 0.00 58.87 59.36 3gpa n SER 16 Cb 0.52 -4.19 0.10 0.00 -1.01 0.00 0.00 64.21 59.63 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 -4.44 2.59 0.07 -3.43 4.77 0.01 -4.77 117.00 111.79 3gpa n LEU 17 Ca -0.17 -2.27 -0.12 0.00 -0.03 0.00 0.00 56.01 53.41 3gpa n LEU 17 Cb 0.62 -0.20 -0.07 0.00 -2.33 0.00 0.00 43.42 41.44 3gpa n LEU 17 CO 0.69 0.63 0.84 0.58 -1.33 0.00 0.00 177.39 178.80 3gpa h VAL 18 N 0.91 0.89 -0.26 4.08 2.07 -1.91 -1.45 116.25 120.59 3gpa h VAL 18 Ca 0.00 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 3gpa h VAL 18 Cb 0.76 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3gpa h VAL 18 CO 0.03 0.00 -0.35 0.00 0.02 0.00 0.00 177.57 177.26 3gpa h ALA 19 N 0.85 0.90 -0.52 1.67 0.00 -1.94 -1.78 119.26 118.44 3gpa h ALA 19 Ca 0.00 -0.41 0.04 0.00 0.00 0.00 0.00 54.91 54.54 3gpa h ALA 19 Cb 0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3gpa h ALA 19 CO -0.02 0.63 0.27 1.49 0.00 0.00 0.00 179.25 181.62 3gpa h GLU 20 N 0.48 0.51 -0.12 0.00 4.57 -1.82 0.24 114.58 118.44 3gpa h GLU 20 Ca 0.05 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 3gpa h GLU 20 Cb 0.84 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.31 3gpa h GLU 20 CO 0.07 0.34 -0.09 0.82 -1.18 0.00 0.00 179.01 178.97 3gpa h ILE 21 N 0.53 1.34 -0.32 2.32 2.04 -1.06 -2.79 117.51 119.57 3gpa h ILE 21 Ca 0.22 -1.21 -0.06 0.00 1.00 0.00 0.00 64.86 64.82 3gpa h ILE 21 Cb 0.11 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 3gpa h ILE 21 CO -0.15 0.35 -0.04 0.24 0.00 0.00 0.00 178.15 178.55 3gpa h MET 22 N -0.10 0.51 -0.38 2.37 2.86 -1.17 -2.77 114.93 116.25 3gpa h MET 22 Ca 0.02 -0.12 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 3gpa h MET 22 Cb 0.59 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 3gpa h MET 22 CO 0.02 0.57 -0.00 0.78 1.06 0.00 0.00 176.91 179.34 3gpa h GLY 23 N 0.86 0.65 1.20 8.32 0.00 -0.46 -0.15 103.07 113.50 3gpa h GLY 23 Ca 0.10 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 46.93 3gpa h GLY 23 CO 0.02 0.38 -0.04 3.21 0.00 0.00 0.00 176.54 180.10 3gpa h ARG 24 N 0.58 0.95 -0.09 4.80 3.08 -1.21 0.84 114.38 123.32 3gpa h ARG 24 Ca 0.12 -0.30 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 3gpa h ARG 24 Cb 0.37 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 3gpa h ARG 24 CO 0.01 0.96 -0.14 0.82 -1.07 0.00 0.00 179.97 180.56 3gpa h ILE 25 N 0.87 1.39 -0.93 2.04 2.04 -1.43 -3.04 117.51 118.44 3gpa h ILE 25 Ca 0.15 -1.39 0.06 0.00 1.00 0.00 0.00 64.86 64.68 3gpa h ILE 25 Cb 0.56 2.10 -0.06 0.00 -0.74 0.00 0.00 36.82 38.68 3gpa h ILE 25 CO 0.03 0.39 0.60 -0.08 0.00 0.00 0.00 178.15 179.10 3gpa h GLU 26 N -0.19 1.03 0.00 2.37 4.81 -0.93 -1.67 114.58 120.00 3gpa h GLU 26 Ca 0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3gpa h GLU 26 Cb 0.70 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.85 3gpa h GLU 26 CO 0.03 0.68 0.00 0.87 -0.73 0.00 0.00 179.01 179.87 3gpa h LYS 27 N 1.06 0.00 -0.45 1.92 1.57 -0.85 -1.54 116.57 118.27 3gpa h LYS 27 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 3gpa h LYS 27 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3gpa h LYS 27 CO -0.15 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 179.90 3gpa n LYS 28 N -2.73 2.08 -1.42 3.15 4.81 -0.64 -4.92 118.16 118.50 3gpa n LYS 28 Ca 0.02 -1.58 -0.01 0.00 -0.87 0.00 0.00 58.31 55.87 3gpa n LYS 28 Cb 0.32 -1.37 -0.00 0.00 0.02 0.00 0.00 35.03 34.00 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 0.75 -2.35 -4.81 3.14 4.05 -0.58 -5.03 115.26 110.42 3gpa n ASN 29 Ca 0.15 0.01 -0.38 0.00 0.45 0.00 0.00 54.58 54.81 3gpa n ASN 29 Cb 0.39 -0.69 -0.06 0.00 1.23 0.00 0.00 39.78 40.65 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 3.76 0.03 1.20 0.40 -1.17 -4.90 117.98 115.26 3gpa s PHE 30 Ca 0.00 1.28 0.02 0.00 -0.60 0.00 0.00 56.93 57.63 3gpa s PHE 30 Cb 0.00 -2.51 -0.04 0.00 0.51 0.00 0.00 43.02 40.98 3gpa s PHE 30 CO 0.00 0.53 0.01 0.15 0.70 0.00 0.00 175.22 176.61 3gpa s LYS 31 N -1.36 2.74 -0.14 0.44 -0.14 -0.71 -4.42 119.74 116.15 3gpa s LYS 31 Ca 0.33 -0.67 -0.29 0.00 -1.36 0.00 0.00 55.97 53.97 3gpa s LYS 31 Cb -0.19 -2.64 -0.01 0.00 -1.68 0.00 0.00 37.83 33.31 3gpa s LYS 31 CO 0.20 0.60 1.18 0.42 -0.76 0.00 0.00 175.35 176.99 3gpa s ILE 32 N -1.16 4.39 -0.23 2.17 1.01 -1.26 -0.79 121.20 125.33 3gpa s ILE 32 Ca 0.22 1.69 0.08 0.00 0.00 0.00 0.00 60.65 62.64 3gpa s ILE 32 Cb -0.12 -4.09 -0.20 0.00 0.01 0.00 0.00 42.46 38.06 3gpa s ILE 32 CO 0.13 -0.10 -0.08 0.52 0.00 0.00 0.00 174.94 175.42 3gpa n VAL 33 N 5.09 1.47 -3.85 2.92 0.31 0.18 -4.93 118.33 119.52 3gpa n VAL 33 Ca 0.12 -0.68 -0.11 0.00 -0.01 0.00 0.00 64.34 63.66 3gpa n VAL 33 Cb 0.46 -1.08 -0.09 0.00 -0.91 0.00 0.00 33.84 32.22 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 -6.16 0.00 -0.27 4.52 0.01 -1.11 -4.97 113.70 105.72 3gpa s SER 34 Ca -0.25 -0.24 -0.18 0.00 1.31 0.00 0.00 55.95 56.59 3gpa s SER 34 Cb 0.08 0.26 0.08 0.00 0.21 0.00 0.00 66.02 66.64 3gpa s SER 34 CO 0.70 -0.47 0.69 -0.32 0.41 0.00 0.00 173.24 174.25 3gpa s MET 35 N -1.92 0.73 -0.02 12.44 0.00 -1.26 -0.53 119.30 128.74 3gpa s MET 35 Ca -0.10 1.16 0.03 0.00 0.00 0.00 0.00 55.69 56.78 3gpa s MET 35 Cb -0.04 0.20 -0.00 0.00 0.00 0.00 0.00 34.83 34.99 3gpa s MET 35 CO -0.01 -0.14 -0.11 0.15 0.00 0.00 0.00 175.02 174.92 3gpa s LYS 36 N 1.32 0.97 -0.21 4.11 1.02 -0.24 -5.01 119.74 121.71 3gpa s LYS 36 Ca -0.07 -0.38 -0.10 0.00 0.02 0.00 0.00 55.97 55.44 3gpa s LYS 36 Cb -0.05 -0.92 -0.05 0.00 -0.52 0.00 0.00 37.83 36.29 3gpa s LYS 36 CO -0.15 0.20 0.13 0.12 -0.92 0.00 0.00 175.35 174.73 3gpa s PHE 37 N -0.10 3.37 -0.23 3.18 5.36 -1.26 -1.21 117.98 127.08 3gpa s PHE 37 Ca 0.02 0.27 0.00 0.00 -0.96 0.00 0.00 56.93 56.26 3gpa s PHE 37 Cb -0.06 -2.18 0.03 0.00 -0.34 0.00 0.00 43.02 40.47 3gpa s PHE 37 CO -0.00 0.21 -0.11 -1.58 -1.46 0.00 0.00 175.22 172.28 3gpa s TRP 38 N 0.54 3.04 0.23 10.12 0.52 0.65 -4.98 118.94 129.05 3gpa s TRP 38 Ca 0.07 -1.78 -0.08 0.00 0.02 0.00 0.00 56.10 54.34 3gpa s TRP 38 Cb -0.12 -1.98 0.20 0.00 -1.15 0.00 0.00 33.47 30.42 3gpa s TRP 38 CO -0.00 -0.79 1.87 0.66 0.02 0.00 0.00 176.95 178.71 3gpa h SER 39 N 7.93 1.07 -2.00 2.95 4.64 -1.91 0.12 113.55 126.34 3gpa h SER 39 Ca -0.33 -0.07 -0.16 0.00 -0.47 0.00 0.00 61.79 60.76 3gpa h SER 39 Cb 1.10 -0.27 -0.30 0.00 -0.31 0.00 0.00 62.40 62.62 3gpa h SER 39 CO 0.56 0.83 -0.48 -0.75 -0.87 0.00 0.00 176.83 176.12 3gpa s LYS 40 N -5.95 0.33 0.34 4.77 2.20 -1.26 -3.09 119.74 117.08 3gpa s LYS 40 Ca -0.13 0.55 -0.29 0.00 -0.36 0.00 0.00 55.97 55.75 3gpa s LYS 40 Cb 0.17 -0.47 -0.10 0.00 -1.51 0.00 0.00 37.83 35.91 3gpa s LYS 40 CO 0.82 -0.61 1.36 0.00 -0.36 0.00 0.00 175.35 176.55 3gpa s ALA 41 N 2.53 3.52 0.15 3.13 0.00 -1.26 -4.91 121.76 124.92 3gpa s ALA 41 Ca 0.11 1.35 -0.34 0.00 0.00 0.00 0.00 51.96 53.07 3gpa s ALA 41 Cb -0.15 -3.51 -0.14 0.00 0.00 0.00 0.00 23.12 19.31 3gpa s ALA 41 CO -0.15 -0.75 1.51 -2.30 0.00 0.00 0.00 175.76 174.07 3gpa n PRO 42 N 0.73 1.93 0.12 0.00 -0.02 -1.26 -4.84 135.00 131.67 3gpa n PRO 42 Ca 0.00 0.69 0.10 0.00 -2.02 0.00 0.00 63.50 62.28 3gpa n PRO 42 Cb 0.41 -2.42 0.60 0.00 -0.02 0.00 0.00 33.50 32.07 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 5.47 0.13 -0.45 -0.52 2.43 -1.98 -2.11 114.38 117.34 3gpa h ARG 43 Ca -0.45 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 58.72 3gpa h ARG 43 Cb 1.27 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 3gpa h ARG 43 CO 0.85 0.09 0.29 -0.97 -1.51 0.00 0.00 179.97 178.72 3gpa h ASN 44 N 0.13 0.49 -0.71 -3.80 -0.73 -1.99 0.20 115.58 109.18 3gpa h ASN 44 Ca 0.11 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.27 3gpa h ASN 44 Cb 0.27 -0.12 -0.03 0.00 0.27 0.00 0.00 38.32 38.71 3gpa h ASN 44 CO -0.01 0.36 0.45 -0.07 -0.37 0.00 0.00 177.43 177.78 3gpa h LEU 45 N 0.59 0.84 -0.93 0.34 4.07 -1.76 -0.22 115.31 118.23 3gpa h LEU 45 Ca 0.17 -0.05 -0.05 0.00 0.08 0.00 0.00 57.88 58.04 3gpa h LEU 45 Cb -0.05 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.45 3gpa h LEU 45 CO -0.05 0.64 0.23 0.40 -1.08 0.00 0.00 178.44 178.58 3gpa h ILE 46 N 0.97 1.24 -0.28 1.22 1.08 -1.19 0.95 117.51 121.49 3gpa h ILE 46 Ca 0.26 -0.80 -0.16 0.00 -0.39 0.00 0.00 64.86 63.77 3gpa h ILE 46 Cb -0.06 0.48 -0.00 0.00 -3.07 0.00 0.00 36.82 34.16 3gpa h ILE 46 CO -0.05 0.32 -0.43 -0.33 -0.69 0.00 0.00 178.15 176.96 3gpa h GLU 47 N 0.98 0.79 0.23 2.37 5.08 -0.54 -1.79 114.58 121.70 3gpa h GLU 47 Ca 0.22 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3gpa h GLU 47 Cb 0.24 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3gpa h GLU 47 CO -0.01 1.10 -0.16 1.96 -1.00 0.00 0.00 179.01 180.90 3gpa h GLN 48 N 0.55 -0.37 -0.62 2.33 4.20 -0.87 -0.52 115.11 119.80 3gpa h GLN 48 Ca 0.03 0.03 0.13 0.00 0.06 0.00 0.00 58.65 58.89 3gpa h GLN 48 Cb 1.03 0.08 -0.10 0.00 0.30 0.00 0.00 27.48 28.80 3gpa h GLN 48 CO 0.10 -0.25 0.07 1.25 -0.67 0.00 0.00 178.83 179.33 3gpa h HIS 49 N -0.39 0.09 -0.79 2.96 2.76 -0.71 0.33 115.15 119.41 3gpa h HIS 49 Ca -0.02 0.04 -0.26 0.00 -2.20 0.00 0.00 60.37 57.93 3gpa h HIS 49 Cb 0.34 0.06 -0.16 0.00 1.55 0.00 0.00 27.41 29.19 3gpa h HIS 49 CO -0.10 -0.11 0.34 0.66 -1.30 0.00 0.00 177.93 177.41 3gpa n TYR 50 N -5.21 2.59 -0.28 5.26 0.53 -0.68 -4.68 117.16 114.70 3gpa n TYR 50 Ca 0.10 -1.30 0.22 0.00 -1.02 0.00 0.00 57.90 55.90 3gpa n TYR 50 Cb 0.36 -0.74 0.54 0.00 -1.03 0.00 0.00 39.34 38.47 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 2.47 0.34 0.00 -0.72 2.10 0.79 0.21 116.57 121.76 3gpa h LYS 51 Ca 0.33 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.94 3gpa h LYS 51 Cb 2.44 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 33.69 3gpa h LYS 51 CO 0.81 0.22 -0.06 0.93 -2.00 0.00 0.00 179.45 179.35 3gpa h GLU 52 N 0.35 0.00 -0.06 0.07 3.07 -1.83 -2.64 114.58 113.54 3gpa h GLU 52 Ca 0.52 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 3gpa h GLU 52 Cb 1.42 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.33 3gpa h GLU 52 CO -0.20 0.06 0.00 0.72 -1.40 0.00 0.00 179.01 178.19 3gpa n HIS 53 N -3.34 0.05 0.31 4.33 8.25 0.74 -4.51 115.22 121.04 3gpa n HIS 53 Ca -0.01 -0.02 0.19 0.00 -0.26 0.00 0.00 57.72 57.62 3gpa n HIS 53 Cb 0.22 0.00 1.04 0.00 1.12 0.00 0.00 29.99 32.37 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 3.80 0.00 0.09 0.41 4.64 -1.48 0.16 113.55 121.17 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 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 3gpa h SER 54 CO 0.00 0.00 -0.48 -0.62 -0.87 0.00 0.00 176.83 174.86 3gpa n GLU 55 N -3.29 0.88 -2.18 4.77 4.71 -1.26 -4.89 120.64 119.37 3gpa n GLU 55 Ca -0.02 -0.66 -0.32 0.00 -0.01 0.00 0.00 57.16 56.14 3gpa n GLU 55 Cb 0.17 -1.49 -0.01 0.00 -1.01 0.00 0.00 31.44 29.11 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 -2.58 3.59 0.42 3.49 -1.52 0.56 -4.96 119.66 118.66 3gpa s GLN 56 Ca 0.19 1.07 0.20 0.00 -1.95 0.00 0.00 55.36 54.87 3gpa s GLN 56 Cb 0.18 -2.08 0.92 0.00 -0.22 0.00 0.00 33.01 31.81 3gpa s GLN 56 CO 0.60 -0.57 1.86 0.66 -0.25 0.00 0.00 175.29 177.58 3gpa h SER 57 N 0.59 0.00 0.31 5.90 4.64 -1.92 -2.83 113.55 120.24 3gpa h SER 57 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 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 0.59 0.29 -0.08 0.00 -0.87 0.00 0.00 176.83 176.77 3gpa n TYR 58 N -3.70 0.00 -0.09 4.77 0.18 -1.26 -4.39 117.16 112.67 3gpa n TYR 58 Ca -0.01 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.71 3gpa n TYR 58 Cb 0.40 -0.16 -0.00 0.00 -0.38 0.00 0.00 39.34 39.20 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 0.58 -0.13 -0.29 -3.48 3.04 -1.72 0.22 116.94 115.17 3gpa h PHE 59 Ca 0.00 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.92 3gpa h PHE 59 Cb 0.32 0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.93 3gpa h PHE 59 CO 0.00 -0.11 -0.03 -0.91 -2.02 0.00 0.00 178.31 175.23 3gpa h ASN 60 N 0.02 0.53 -0.77 0.41 2.35 -1.83 -0.82 115.58 115.46 3gpa h ASN 60 Ca 0.15 -0.34 -0.05 0.00 -0.55 0.00 0.00 56.30 55.52 3gpa h ASN 60 Cb 0.22 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 3gpa h ASN 60 CO -0.31 0.74 0.30 0.44 -1.65 0.00 0.00 177.43 176.95 3gpa h ASP 61 N 0.30 1.07 -0.53 5.81 3.32 -1.76 -1.03 116.42 123.61 3gpa h ASP 61 Ca 0.08 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 3gpa h ASP 61 Cb 0.49 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3gpa h ASP 61 CO 0.02 0.96 0.27 0.25 -1.72 0.00 0.00 179.24 179.02 3gpa h LEU 62 N 1.12 0.68 -0.57 1.55 5.85 -0.42 -0.90 115.31 122.62 3gpa h LEU 62 Ca 0.26 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 3gpa h LEU 62 Cb 0.23 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3gpa h LEU 62 CO -0.02 0.61 0.06 0.00 -0.34 0.00 0.00 178.44 178.75 3gpa h ASP 64 N 0.85 0.01 -0.88 0.00 3.32 -1.02 -2.48 116.42 116.22 3gpa h ASP 64 Ca 0.17 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3gpa h ASP 64 Cb 0.46 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 3gpa h ASP 64 CO 0.02 0.04 0.57 0.15 -1.72 0.00 0.00 179.24 178.30 3gpa h PHE 65 N 0.15 1.13 0.00 4.55 3.04 -0.79 -1.91 116.94 123.10 3gpa h PHE 65 Ca 0.12 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.09 3gpa h PHE 65 Cb 0.12 -0.38 0.00 0.00 2.56 0.00 0.00 35.95 38.25 3gpa h PHE 65 CO -0.16 0.72 0.00 0.52 -2.02 0.00 0.00 178.31 177.37 3gpa h MET 66 N 1.20 0.00 -0.23 1.11 2.86 -0.71 -1.68 114.93 117.47 3gpa h MET 66 Ca 0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 3gpa h MET 66 Cb -0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.55 3gpa h MET 66 CO -0.07 0.00 0.00 1.55 1.06 0.00 0.00 176.91 179.45 3gpa n VAL 67 N -2.32 0.56 1.12 -2.22 3.14 -0.87 -4.58 118.33 113.16 3gpa n VAL 67 Ca 0.02 -0.78 0.13 0.00 -2.96 0.00 0.00 64.34 60.75 3gpa n VAL 67 Cb 0.24 0.83 0.64 0.00 -1.06 0.00 0.00 33.84 34.49 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 0.69 0.00 -1.12 6.55 3.41 -0.63 -4.84 113.62 117.68 3gpa n SER 68 Ca 0.11 0.22 -0.00 0.00 -0.26 0.00 0.00 58.87 58.93 3gpa n SER 68 Cb 0.39 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 1.21 1.53 3.76 5.00 0.00 -1.26 -5.09 105.19 110.34 3gpa n GLY 69 Ca 0.10 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.00 1.69 0.03 1.61 0.02 -1.18 -4.55 135.00 130.62 3gpa s PRO 70 Ca 0.01 0.76 -0.03 0.00 0.02 0.00 0.00 61.00 61.76 3gpa s PRO 70 Cb -0.00 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.64 3gpa s PRO 70 CO 0.00 -1.93 0.04 0.42 -0.33 0.00 0.00 177.00 175.21 3gpa s ILE 71 N -3.03 0.13 -0.10 2.83 1.01 0.40 -3.53 121.20 118.91 3gpa s ILE 71 Ca 0.62 -1.09 0.02 0.00 0.00 0.00 0.00 60.65 60.20 3gpa s ILE 71 Cb -0.16 -0.73 0.01 0.00 0.01 0.00 0.00 42.46 41.59 3gpa s ILE 71 CO 0.56 -0.60 -0.17 -0.63 0.00 0.00 0.00 174.94 174.10 3gpa s ILE 72 N -2.28 1.58 -0.17 2.92 1.01 -1.08 -0.25 121.20 122.91 3gpa s ILE 72 Ca -0.08 -0.70 -0.08 0.00 0.00 0.00 0.00 60.65 59.79 3gpa s ILE 72 Cb -0.03 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 3gpa s ILE 72 CO -0.03 0.46 0.10 -0.94 0.00 0.00 0.00 174.94 174.52 3gpa s SER 73 N 0.84 5.94 -0.01 3.58 1.04 -0.35 -0.85 113.70 123.88 3gpa s SER 73 Ca -0.09 0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.56 3gpa s SER 73 Cb -0.15 -2.00 -0.00 0.00 0.10 0.00 0.00 66.02 63.96 3gpa s SER 73 CO 0.00 0.22 -0.07 -0.63 0.98 0.00 0.00 173.24 173.75 3gpa s ILE 74 N 0.08 0.58 -0.29 -1.02 1.01 0.02 -1.08 121.20 120.51 3gpa s ILE 74 Ca 0.07 -0.30 -0.09 0.00 0.00 0.00 0.00 60.65 60.33 3gpa s ILE 74 Cb -0.12 -0.50 -0.02 0.00 0.01 0.00 0.00 42.46 41.83 3gpa s ILE 74 CO -0.00 0.17 0.14 -0.69 0.00 0.00 0.00 174.94 174.56 3gpa s VAL 75 N -0.07 4.68 -0.04 2.92 1.01 0.31 -1.18 120.40 128.03 3gpa s VAL 75 Ca 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 3gpa s VAL 75 Cb -0.04 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 3gpa s VAL 75 CO -0.00 0.17 0.07 -0.31 0.00 0.00 0.00 175.10 175.03 3gpa s TYR 76 N 1.65 3.30 0.02 5.22 1.51 -0.55 0.50 117.35 129.00 3gpa s TYR 76 Ca 0.06 0.26 0.07 0.00 -1.01 0.00 0.00 57.07 56.44 3gpa s TYR 76 Cb -0.16 -1.78 -0.02 0.00 -0.11 0.00 0.00 41.96 39.88 3gpa s TYR 76 CO 0.07 0.56 -0.21 -2.00 -1.11 0.00 0.00 175.55 172.86 3gpa s GLU 77 N -1.40 1.48 0.00 -0.62 2.12 0.02 -1.07 118.70 119.24 3gpa s GLU 77 Ca 0.19 -0.87 0.00 0.00 0.36 0.00 0.00 54.97 54.65 3gpa s GLU 77 Cb -0.12 -1.54 0.00 0.00 0.26 0.00 0.00 34.13 32.73 3gpa s GLU 77 CO 0.09 0.40 0.00 0.41 -0.54 0.00 0.00 175.26 175.63 3gpa n GLY 78 N 2.08 0.17 3.72 -1.50 0.00 -0.77 -1.74 105.19 107.15 3gpa n GLY 78 Ca -0.16 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 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 2.48 -1.27 2.61 2.01 -1.26 -1.49 115.64 116.73 3gpa s THR 79 Ca 0.00 0.34 -0.04 0.00 0.31 0.00 0.00 61.69 62.30 3gpa s THR 79 Cb 0.00 -3.22 0.03 0.00 0.01 0.00 0.00 72.50 69.32 3gpa s THR 79 CO 0.00 0.03 0.28 -0.67 -0.69 0.00 0.00 174.62 173.57 3gpa n ASP 80 N 4.01 -4.34 -0.36 3.53 4.64 -0.06 -4.83 116.55 119.14 3gpa n ASP 80 Ca 0.14 -0.11 0.07 0.00 -1.38 0.00 0.00 54.79 53.52 3gpa n ASP 80 Cb 0.38 -3.61 0.24 0.00 -1.04 0.00 0.00 41.12 37.09 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 0.99 1.50 0.29 -1.67 0.00 -1.73 -1.39 119.26 117.25 3gpa h ALA 81 Ca -0.39 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3gpa h ALA 81 Cb 1.28 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3gpa h ALA 81 CO 0.46 0.20 -0.14 0.82 0.00 0.00 0.00 179.25 180.59 3gpa h ILE 82 N 0.96 0.74 -0.42 0.00 2.04 -1.88 -0.20 117.51 118.76 3gpa h ILE 82 Ca 0.50 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.97 3gpa h ILE 82 Cb 0.51 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 3gpa h ILE 82 CO -0.27 0.08 0.14 -1.28 0.00 0.00 0.00 178.15 176.81 3gpa h SER 83 N -0.59 0.60 -0.14 1.72 0.87 -1.83 -2.11 113.55 112.06 3gpa h SER 83 Ca -0.04 -0.19 -0.15 0.00 -1.23 0.00 0.00 61.79 60.18 3gpa h SER 83 Cb 0.43 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 3gpa h SER 83 CO 0.07 0.63 -0.42 0.11 -0.53 0.00 0.00 176.83 176.69 3gpa h LYS 84 N 0.53 0.69 -0.01 2.24 1.79 -1.16 -1.19 116.57 119.46 3gpa h LYS 84 Ca 0.14 -0.37 -0.20 0.00 -2.18 0.00 0.00 60.65 58.04 3gpa h LYS 84 Cb 0.24 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 3gpa h LYS 84 CO -0.01 0.98 -0.86 0.82 -1.08 0.00 0.00 179.45 179.30 3gpa h ILE 85 N 0.56 1.45 -0.97 1.86 2.04 -1.05 -1.20 117.51 120.19 3gpa h ILE 85 Ca 0.04 -2.49 0.05 0.00 1.00 0.00 0.00 64.86 63.47 3gpa h ILE 85 Cb 0.96 2.39 -0.06 0.00 -0.74 0.00 0.00 36.82 39.37 3gpa h ILE 85 CO 0.09 0.73 0.63 0.03 0.00 0.00 0.00 178.15 179.63 3gpa h ARG 86 N 0.16 1.14 -0.21 2.37 2.47 -1.16 0.47 114.38 119.61 3gpa h ARG 86 Ca -0.05 -0.07 -0.17 0.00 -1.26 0.00 0.00 59.98 58.43 3gpa h ARG 86 Cb 1.47 -0.26 -0.00 0.00 -1.65 0.00 0.00 29.97 29.53 3gpa h ARG 86 CO 0.14 0.75 -0.56 0.00 0.56 0.00 0.00 179.97 180.86 3gpa h ARG 87 N 1.17 0.66 -0.15 0.04 3.08 -0.94 -1.45 114.38 116.80 3gpa h ARG 87 Ca 0.41 -0.42 0.02 0.00 0.07 0.00 0.00 59.98 60.05 3gpa h ARG 87 Cb 0.10 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3gpa h ARG 87 CO -0.14 1.04 0.01 -0.07 -1.07 0.00 0.00 179.97 179.74 3gpa h LEU 88 N 0.50 -0.04 -0.41 3.04 4.07 -0.74 -2.64 115.31 119.09 3gpa h LEU 88 Ca 0.01 0.03 0.08 0.00 0.08 0.00 0.00 57.88 58.08 3gpa h LEU 88 Cb 1.13 0.05 -0.08 0.00 1.08 0.00 0.00 40.66 42.85 3gpa h LEU 88 CO 0.11 0.00 -0.09 -0.61 -1.08 0.00 0.00 178.44 176.77 3gpa h GLN 89 N 0.06 0.01 0.00 1.13 4.15 -0.78 0.99 115.11 120.67 3gpa h GLN 89 Ca 0.07 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3gpa h GLN 89 Cb 0.08 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.77 3gpa h GLN 89 CO -0.12 0.01 0.00 0.41 -1.93 0.00 0.00 178.83 177.20 3gpa n GLY 90 N -1.31 2.15 3.60 2.39 0.00 -0.56 -1.41 105.19 110.06 3gpa n GLY 90 Ca 0.03 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 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 0.27 0.14 1.61 2.20 -1.26 -4.81 114.94 109.09 3gpa s ASN 91 Ca 0.00 -1.15 0.20 0.00 -0.94 0.00 0.00 52.86 50.96 3gpa s ASN 91 Cb 0.00 0.67 0.82 0.00 -2.00 0.00 0.00 41.25 40.74 3gpa s ASN 91 CO 0.00 -1.30 1.60 -0.38 -2.94 0.00 0.00 177.10 174.08 3gpa n ILE 92 N -0.48 0.89 1.00 0.54 -0.00 -1.26 -1.94 119.36 118.11 3gpa n ILE 92 Ca -0.02 0.23 0.11 0.00 -0.00 0.00 0.00 62.75 63.06 3gpa n ILE 92 Cb 0.61 -1.07 -0.02 0.00 -0.00 0.00 0.00 39.64 39.16 3gpa n ILE 92 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 3gpa n LEU 93 N -1.90 0.93 -4.06 1.39 4.77 -1.26 -4.69 117.00 112.19 3gpa n LEU 93 Ca 0.03 -0.39 -0.34 0.00 -0.03 0.00 0.00 56.01 55.28 3gpa n LEU 93 Cb 0.21 -0.06 -0.13 0.00 -2.33 0.00 0.00 43.42 41.11 3gpa n LEU 93 CO 0.17 0.23 -0.19 -0.89 -1.33 0.00 0.00 177.39 175.38 3gpa s THR 94 N -2.97 2.93 0.62 -5.08 2.01 -0.88 -5.04 115.64 107.23 3gpa s THR 94 Ca 0.09 -2.46 -0.18 0.00 0.31 0.00 0.00 61.69 59.45 3gpa s THR 94 Cb 0.16 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 3gpa s THR 94 CO 0.81 -0.70 0.95 -2.65 -0.69 0.00 0.00 174.62 172.33 3gpa n PRO 95 N 4.11 0.82 0.00 4.92 -0.02 -1.26 -2.77 135.00 140.80 3gpa n PRO 95 Ca 0.02 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3gpa n PRO 95 Cb 0.40 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 1.30 3.28 3.99 -1.23 0.00 -1.26 -4.91 105.19 106.35 3gpa n GLY 96 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.47 2.87 0.09 2.61 -4.23 -1.12 -4.91 115.64 108.49 3gpa s THR 97 Ca 0.00 -0.79 -0.28 0.00 -1.18 0.00 0.00 61.69 59.43 3gpa s THR 97 Cb 0.00 -3.03 -0.15 0.00 1.34 0.00 0.00 72.50 70.66 3gpa s THR 97 CO 0.00 -0.02 1.67 0.40 -0.54 0.00 0.00 174.62 176.13 3gpa h ILE 98 N 0.32 0.57 -0.08 2.99 2.04 -0.83 0.44 117.51 122.94 3gpa h ILE 98 Ca -0.42 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.33 3gpa h ILE 98 Cb 1.29 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 3gpa h ILE 98 CO 0.50 0.00 -0.45 0.03 0.00 0.00 0.00 178.15 178.23 3gpa h ARG 99 N -0.52 0.20 -0.51 2.37 3.08 -1.45 -1.31 114.38 116.25 3gpa h ARG 99 Ca -0.03 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 59.86 3gpa h ARG 99 Cb 0.43 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 3gpa h ARG 99 CO 0.03 0.61 0.08 0.78 -1.07 0.00 0.00 179.97 180.41 3gpa h GLY 100 N 1.29 0.90 1.62 0.04 0.00 -1.07 -1.82 103.07 104.03 3gpa h GLY 100 Ca 0.01 -0.60 -0.20 0.00 0.00 0.00 0.00 47.33 46.54 3gpa h GLY 100 CO 0.07 0.55 -1.12 -0.55 0.00 0.00 0.00 176.54 175.49 3gpa h ASP 101 N 0.71 0.00 0.00 0.19 3.32 -0.85 -3.40 116.42 116.39 3gpa h ASP 101 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3gpa h ASP 101 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3gpa h ASP 101 CO 0.01 0.83 -0.55 0.18 -1.72 0.00 0.00 179.24 177.99 3gpa n LEU 102 N -3.19 0.00 -4.35 1.55 4.77 -0.50 -5.07 117.00 110.21 3gpa n LEU 102 Ca -0.05 -0.20 -0.18 0.00 -0.03 0.00 0.00 56.01 55.55 3gpa n LEU 102 Cb 0.91 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.90 3gpa n LEU 102 CO 0.45 0.00 -0.40 0.00 -1.33 0.00 0.00 177.39 176.11 3gpa s ALA 103 N -1.50 1.98 -0.38 -1.18 0.00 -0.69 -5.02 121.76 114.98 3gpa s ALA 103 Ca 0.00 -1.71 0.11 0.00 0.00 0.00 0.00 51.96 50.36 3gpa s ALA 103 Cb 0.00 0.09 0.40 0.00 0.00 0.00 0.00 23.12 23.61 3gpa s ALA 103 CO 0.00 -0.04 1.39 -1.71 0.00 0.00 0.00 175.76 175.40 3gpa n ASN 104 N -0.41 -1.58 -3.66 0.00 5.15 -1.26 -4.73 115.26 108.77 3gpa n ASN 104 Ca -0.07 -2.39 -0.15 0.00 -0.60 0.00 0.00 54.58 51.36 3gpa n ASN 104 Cb 0.62 0.83 -0.08 0.00 -0.53 0.00 0.00 39.78 40.62 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 -1.31 -0.39 0.30 1.20 -1.08 -1.26 -5.04 116.67 109.10 3gpa s ASP 105 Ca 0.18 0.36 0.09 0.00 -0.52 0.00 0.00 52.55 52.67 3gpa s ASP 105 Cb 0.42 0.42 0.48 0.00 -1.46 0.00 0.00 42.92 42.78 3gpa s ASP 105 CO -0.10 -0.50 1.69 0.16 0.52 0.00 0.00 175.17 176.95 3gpa h ILE 106 N 3.54 1.35 0.00 4.11 -2.65 -2.02 -3.38 117.51 118.46 3gpa h ILE 106 Ca -0.29 -1.68 0.00 0.00 1.03 0.00 0.00 64.86 63.92 3gpa h ILE 106 Cb 1.16 1.86 0.00 0.00 -2.05 0.00 0.00 36.82 37.79 3gpa h ILE 106 CO 0.39 0.49 -0.90 -1.14 0.03 0.00 0.00 178.15 177.02 3gpa n ARG 107 N -3.96 0.51 -2.68 0.16 0.63 -1.26 -4.78 116.66 105.27 3gpa n ARG 107 Ca -0.02 0.26 -0.42 0.00 -0.92 0.00 0.00 57.85 56.76 3gpa n ARG 107 Cb 0.51 -1.46 -0.03 0.00 0.45 0.00 0.00 32.46 31.94 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 -2.76 3.63 -0.09 -0.14 2.02 -1.26 -4.69 118.70 115.41 3gpa s GLU 108 Ca -0.26 -1.40 0.12 0.00 0.02 0.00 0.00 54.97 53.45 3gpa s GLU 108 Cb 0.04 -5.23 0.22 0.00 0.10 0.00 0.00 34.13 29.26 3gpa s GLU 108 CO 0.39 -2.07 1.11 0.27 0.02 0.00 0.00 175.26 174.98 3gpa n ASN 109 N 8.06 1.38 0.00 -0.19 0.23 -1.26 -4.09 115.26 119.38 3gpa n ASN 109 Ca 0.31 -2.74 0.00 0.00 -0.53 0.00 0.00 54.58 51.62 3gpa n ASN 109 Cb 0.50 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 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 -0.76 0.00 -3.82 -4.53 4.77 -1.26 -4.81 117.00 106.59 3gpa n LEU 110 Ca 0.10 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.96 3gpa n LEU 110 Cb 0.71 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.69 3gpa n LEU 110 CO -0.00 0.00 -0.12 -0.51 -1.33 0.00 0.00 177.39 175.43 3gpa s ILE 111 N 0.00 0.04 -0.03 -0.08 2.07 -1.26 -0.40 121.20 121.54 3gpa s ILE 111 Ca 0.00 -0.30 0.07 0.00 -1.41 0.00 0.00 60.65 59.01 3gpa s ILE 111 Cb 0.00 -0.40 -0.02 0.00 0.13 0.00 0.00 42.46 42.17 3gpa s ILE 111 CO 0.00 -0.16 -0.23 -2.28 -1.91 0.00 0.00 174.94 170.36 3gpa s HIS 112 N -0.59 2.43 0.02 3.50 5.65 0.91 -4.94 115.29 122.27 3gpa s HIS 112 Ca -0.07 -0.36 0.03 0.00 0.25 0.00 0.00 55.06 54.91 3gpa s HIS 112 Cb -0.04 -1.53 -0.01 0.00 -1.18 0.00 0.00 32.58 29.81 3gpa s HIS 112 CO 0.01 0.03 -0.09 0.00 -0.65 0.00 0.00 174.74 174.04 3gpa s ALA 113 N -0.65 0.76 0.58 1.58 0.00 -1.26 -0.73 121.76 122.05 3gpa s ALA 113 Ca 0.10 -0.55 -0.20 0.00 0.00 0.00 0.00 51.96 51.31 3gpa s ALA 113 Cb -0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 3gpa s ALA 113 CO -0.01 0.14 1.24 0.43 0.00 0.00 0.00 175.76 177.56 3gpa n SER 114 N 2.33 2.03 -0.51 0.00 7.64 -0.67 -4.94 113.62 119.50 3gpa n SER 114 Ca -0.16 0.90 0.05 0.00 1.01 0.00 0.00 58.87 60.67 3gpa n SER 114 Cb 0.56 -1.52 0.09 0.00 -1.01 0.00 0.00 64.21 62.33 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 -1.15 2.31 -3.59 6.43 5.75 -1.26 -4.70 116.55 120.34 3gpa n ASP 115 Ca 0.13 -1.67 -0.08 0.00 -0.01 0.00 0.00 54.79 53.15 3gpa n ASP 115 Cb 0.46 -0.09 -0.02 0.00 -1.03 0.00 0.00 41.12 40.44 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 -0.95 -0.37 0.24 -1.12 1.04 -1.26 -4.97 113.70 106.31 3gpa s SER 116 Ca 0.17 -0.18 -0.06 0.00 0.48 0.00 0.00 55.95 56.36 3gpa s SER 116 Cb 0.10 0.52 0.24 0.00 0.10 0.00 0.00 66.02 66.98 3gpa s SER 116 CO 0.14 -0.88 1.84 -0.33 0.98 0.00 0.00 173.24 174.99 3gpa h GLU 117 N 2.00 1.17 0.36 4.02 5.08 -1.97 0.14 114.58 125.38 3gpa h GLU 117 Ca -0.25 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 57.92 3gpa h GLU 117 Cb 1.26 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3gpa h GLU 117 CO 0.31 0.90 -0.19 -0.44 -1.00 0.00 0.00 179.01 178.58 3gpa h ASP 118 N 1.16 -0.46 -0.41 1.42 3.32 -2.00 -1.94 116.42 117.51 3gpa h ASP 118 Ca 0.28 0.02 0.08 0.00 0.02 0.00 0.00 57.03 57.44 3gpa h ASP 118 Cb 0.11 0.13 -0.08 0.00 0.22 0.00 0.00 39.33 39.71 3gpa h ASP 118 CO -0.04 -0.32 -0.13 0.28 -1.72 0.00 0.00 179.24 177.32 3gpa h SER 119 N -0.51 -0.45 -0.63 6.45 0.02 -1.85 -1.53 113.55 115.05 3gpa h SER 119 Ca -0.05 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3gpa h SER 119 Cb 0.41 0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.20 3gpa h SER 119 CO 0.07 -0.16 0.37 0.00 -1.14 0.00 0.00 176.83 175.97 3gpa h ALA 120 N 1.36 0.80 -0.01 3.77 0.00 -0.65 0.14 119.26 124.67 3gpa h ALA 120 Ca 0.20 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3gpa h ALA 120 Cb 0.34 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3gpa h ALA 120 CO -0.44 0.29 0.01 0.28 0.00 0.00 0.00 179.25 179.38 3gpa h VAL 121 N 0.85 1.09 0.68 0.00 2.07 -0.83 -0.97 116.25 119.14 3gpa h VAL 121 Ca 0.22 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 3gpa h VAL 121 Cb -0.01 1.24 0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3gpa h VAL 121 CO -0.04 0.07 -0.33 -0.78 0.02 0.00 0.00 177.57 176.51 3gpa h ASP 122 N -0.09 -0.78 -0.91 0.57 3.58 -1.01 -2.65 116.42 115.14 3gpa h ASP 122 Ca 0.00 0.01 0.11 0.00 0.42 0.00 0.00 57.03 57.57 3gpa h ASP 122 Cb 0.11 0.20 -0.08 0.00 1.72 0.00 0.00 39.33 41.28 3gpa h ASP 122 CO -0.00 -0.51 0.54 -0.33 -2.88 0.00 0.00 179.24 176.07 3gpa h GLU 123 N -0.99 0.86 -0.74 0.28 5.08 -0.73 -0.17 114.58 118.17 3gpa h GLU 123 Ca -0.09 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 3gpa h GLU 123 Cb 0.72 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 3gpa h GLU 123 CO 0.15 0.57 0.49 0.82 -1.00 0.00 0.00 179.01 180.04 3gpa h ILE 124 N 0.88 1.19 -0.04 3.13 2.04 -1.10 -2.26 117.51 121.36 3gpa h ILE 124 Ca 0.44 -0.34 -0.17 0.00 1.00 0.00 0.00 64.86 65.79 3gpa h ILE 124 Cb 0.42 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 3gpa h ILE 124 CO -0.26 0.18 -0.73 0.77 0.00 0.00 0.00 178.15 178.12 3gpa h SER 125 N 1.00 0.27 -0.29 1.72 4.64 -0.70 0.31 113.55 120.50 3gpa h SER 125 Ca 0.27 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3gpa h SER 125 Cb -0.12 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 3gpa h SER 125 CO -0.06 0.90 0.18 0.40 -0.87 0.00 0.00 176.83 177.39 3gpa h ILE 126 N 0.15 1.09 0.00 0.95 2.04 -0.81 -2.98 117.51 117.95 3gpa h ILE 126 Ca -0.02 -0.20 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 3gpa h ILE 126 Cb 1.29 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3gpa h ILE 126 CO 0.11 0.09 -1.30 0.79 0.00 0.00 0.00 178.15 177.84 3gpa n TRP 127 N -4.87 0.83 -3.24 1.37 7.02 -0.89 -4.57 117.44 113.09 3gpa n TRP 127 Ca -0.02 0.26 -0.25 0.00 -1.02 0.00 0.00 57.50 56.47 3gpa n TRP 127 Cb 0.04 -0.95 -0.08 0.00 -2.42 0.00 0.00 31.31 27.90 3gpa n TRP 127 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3gpa n PHE 128 N -2.70 -0.54 1.58 -5.99 3.72 0.11 -5.01 117.46 108.63 3gpa n PHE 128 Ca -0.05 -3.48 0.14 0.00 -0.05 0.00 0.00 57.45 54.02 3gpa n PHE 128 Cb 0.66 -0.18 0.59 0.00 -0.94 0.00 0.00 39.48 39.62 3gpa n PHE 128 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36