#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gpf s THR 2 N 0.00 4.26 0.00 1.12 -4.23 -1.26 -4.97 115.64 110.55 2gpf s THR 2 Ca 0.00 -0.54 -0.04 0.00 -1.18 0.00 0.00 61.69 59.93 2gpf s THR 2 Cb 0.00 -3.56 -0.20 0.00 1.34 0.00 0.00 72.50 70.08 2gpf s THR 2 CO 0.00 -0.37 3.13 -1.20 -0.54 0.00 0.00 174.62 175.64 2gpf n SER 3 N -1.97 4.99 0.18 3.99 7.64 -1.26 -4.27 113.62 122.92 2gpf n SER 3 Ca -0.00 -2.41 0.02 0.00 1.01 0.00 0.00 58.87 57.49 2gpf n SER 3 Cb 0.57 -1.29 0.34 0.00 -1.01 0.00 0.00 64.21 62.83 2gpf n SER 3 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2gpf h VAL 4 N 1.84 1.24 -2.82 0.44 -1.51 -2.09 -3.42 116.25 109.94 2gpf h VAL 4 Ca 0.14 -1.39 -0.15 0.00 -1.23 0.00 0.00 66.70 64.07 2gpf h VAL 4 Cb 1.34 1.76 -0.27 0.00 -2.13 0.00 0.00 31.29 31.98 2gpf h VAL 4 CO 0.19 0.39 -0.37 0.12 -1.23 0.00 0.00 177.57 176.68 2gpf s PHE 5 N -4.07 -0.47 0.90 5.19 5.36 -1.26 -5.17 117.98 118.46 2gpf s PHE 5 Ca -0.02 1.05 -0.15 0.00 -0.96 0.00 0.00 56.93 56.85 2gpf s PHE 5 Cb 0.14 0.17 0.22 0.00 -0.34 0.00 0.00 43.02 43.20 2gpf s PHE 5 CO 0.72 -0.28 0.94 -3.47 -1.46 0.00 0.00 175.22 171.68 2gpf n ASP 6 N 4.04 -1.09 0.04 6.13 -0.08 -1.26 -4.97 116.55 119.37 2gpf n ASP 6 Ca -0.22 -1.17 -0.11 0.00 -1.51 0.00 0.00 54.79 51.77 2gpf n ASP 6 Cb 0.55 -0.80 0.01 0.00 2.34 0.00 0.00 41.12 43.21 2gpf n ASP 6 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2gpf h ARG 7 N 0.00 0.47 -3.39 -0.67 9.65 -2.02 -3.46 114.38 114.96 2gpf h ARG 7 Ca -0.33 -0.39 -0.04 0.00 -1.10 0.00 0.00 59.98 58.12 2gpf h ARG 7 Cb 0.97 0.08 -0.11 0.00 -1.39 0.00 0.00 29.97 29.53 2gpf h ARG 7 CO 0.22 1.02 -0.03 0.16 2.80 0.00 0.00 179.97 184.15 2gpf s ASP 8 N -7.00 -0.22 0.00 -3.80 1.47 -1.26 -5.18 116.67 100.67 2gpf s ASP 8 Ca -0.06 -0.49 0.00 0.00 1.18 0.00 0.00 52.55 53.18 2gpf s ASP 8 Cb 0.10 0.54 0.00 0.00 -0.34 0.00 0.00 42.92 43.22 2gpf s ASP 8 CO 0.85 -1.00 0.00 -0.67 0.68 0.00 0.00 175.17 175.04 2gpf n ASP 9 N -0.31 1.33 -4.75 2.11 2.03 -1.26 -5.09 116.55 110.61 2gpf n ASP 9 Ca -0.11 -0.95 -0.41 0.00 0.52 0.00 0.00 54.79 53.84 2gpf n ASP 9 Cb 0.63 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.00 2gpf n ASP 9 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2gpf s ILE 10 N -0.25 3.19 -0.10 5.18 1.10 -1.26 -4.88 121.20 124.19 2gpf s ILE 10 Ca 0.00 1.09 -0.03 0.00 -0.51 0.00 0.00 60.65 61.20 2gpf s ILE 10 Cb 0.00 -3.69 -0.03 0.00 0.15 0.00 0.00 42.46 38.88 2gpf s ILE 10 CO 0.00 0.22 0.03 -1.10 -2.11 0.00 0.00 174.94 171.98 2gpf s GLN 11 N -0.92 3.13 0.38 3.50 -0.21 -1.26 -0.65 119.66 123.63 2gpf s GLN 11 Ca 0.51 -0.35 0.05 0.00 0.02 0.00 0.00 55.36 55.59 2gpf s GLN 11 Cb -0.36 -2.89 -0.02 0.00 1.00 0.00 0.00 33.01 30.74 2gpf s GLN 11 CO 0.43 0.69 0.18 1.19 -2.12 0.00 0.00 175.29 175.66 2gpf n PHE 12 N 2.21 -0.12 -3.93 0.91 3.72 0.93 -3.14 117.46 118.04 2gpf n PHE 12 Ca -0.19 -2.62 -0.10 0.00 -0.05 0.00 0.00 57.45 54.49 2gpf n PHE 12 Cb 0.54 0.08 -0.12 0.00 -0.94 0.00 0.00 39.48 39.04 2gpf n PHE 12 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 2gpf s GLN 13 N -3.47 0.25 -0.21 -1.08 -2.07 0.17 -1.41 119.66 111.84 2gpf s GLN 13 Ca 0.26 -0.38 -0.21 0.00 -1.82 0.00 0.00 55.36 53.21 2gpf s GLN 13 Cb 0.01 0.10 -0.02 0.00 -1.09 0.00 0.00 33.01 32.01 2gpf s GLN 13 CO 0.18 -0.05 0.64 0.08 -1.32 0.00 0.00 175.29 174.82 2gpf s VAL 14 N -1.00 5.01 0.10 3.63 1.01 -1.19 -0.68 120.40 127.27 2gpf s VAL 14 Ca -0.11 1.19 0.08 0.00 0.00 0.00 0.00 61.98 63.13 2gpf s VAL 14 Cb -0.07 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2gpf s VAL 14 CO -0.00 0.09 -0.15 0.68 0.00 0.00 0.00 175.10 175.71 2gpf s VAL 15 N 2.06 3.04 -0.02 2.92 -7.23 0.28 0.18 120.40 121.63 2gpf s VAL 15 Ca 0.28 -1.35 0.04 0.00 -1.81 0.00 0.00 61.98 59.15 2gpf s VAL 15 Cb -0.16 -2.38 -0.01 0.00 0.56 0.00 0.00 36.38 34.39 2gpf s VAL 15 CO 0.10 0.15 -0.15 0.54 -0.31 0.00 0.00 175.10 175.43 2gpf s VAL 16 N -1.13 1.25 0.57 1.32 0.11 0.60 -1.15 120.40 121.97 2gpf s VAL 16 Ca 0.19 -0.65 0.06 0.00 -2.93 0.00 0.00 61.98 58.64 2gpf s VAL 16 Cb -0.11 -1.05 0.07 0.00 -1.53 0.00 0.00 36.38 33.77 2gpf s VAL 16 CO 0.10 0.36 0.79 0.21 -3.33 0.00 0.00 175.10 173.23 2gpf s ASN 17 N -0.22 5.07 0.00 3.54 2.47 -1.05 -2.04 114.94 122.71 2gpf s ASN 17 Ca 0.03 -0.54 0.18 0.00 0.42 0.00 0.00 52.86 52.94 2gpf s ASN 17 Cb -0.08 -0.12 0.98 0.00 -1.45 0.00 0.00 41.25 40.58 2gpf s ASN 17 CO 0.00 -1.31 1.49 1.41 -3.72 0.00 0.00 177.10 174.97 2gpf n HIS 18 N -2.31 0.00 -0.59 0.43 8.25 -1.26 -0.71 115.22 119.03 2gpf n HIS 18 Ca 0.13 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.68 2gpf n HIS 18 Cb 0.61 -0.13 0.31 0.00 1.12 0.00 0.00 29.99 31.90 2gpf n HIS 18 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2gpf n GLU 19 N -1.13 3.44 -2.67 -0.41 2.13 -1.26 -4.95 120.64 115.80 2gpf n GLU 19 Ca 0.11 -2.74 -0.20 0.00 0.66 0.00 0.00 57.16 54.99 2gpf n GLU 19 Cb 0.09 -1.77 0.01 0.00 0.27 0.00 0.00 31.44 30.04 2gpf n GLU 19 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2gpf n GLU 20 N 0.84 -2.91 -3.63 5.31 0.28 0.11 -4.98 120.64 115.66 2gpf n GLU 20 Ca 0.23 0.88 -0.36 0.00 -0.16 0.00 0.00 57.16 57.75 2gpf n GLU 20 Cb 0.80 -5.60 -0.06 0.00 1.43 0.00 0.00 31.44 28.01 2gpf n GLU 20 CO 0.00 0.00 0.00 1.14 -0.16 0.00 0.00 177.13 178.11 2gpf s GLN 21 N -5.32 3.73 0.04 3.44 0.00 -1.26 -4.91 119.66 115.38 2gpf s GLN 21 Ca 0.12 0.16 0.03 0.00 -0.00 0.00 0.00 55.36 55.68 2gpf s GLN 21 Cb -0.06 -3.12 -0.04 0.00 0.00 0.00 0.00 33.01 29.80 2gpf s GLN 21 CO 0.15 0.66 -0.02 0.71 0.00 0.00 0.00 175.29 176.79 2gpf s TYR 22 N -1.22 3.00 0.34 9.60 1.51 -1.26 -2.51 117.35 126.81 2gpf s TYR 22 Ca 0.26 0.01 -0.07 0.00 -1.01 0.00 0.00 57.07 56.26 2gpf s TYR 22 Cb -0.14 -1.60 0.02 0.00 -0.11 0.00 0.00 41.96 40.12 2gpf s TYR 22 CO 0.14 0.45 0.56 -1.12 -1.11 0.00 0.00 175.55 174.47 2gpf s SER 23 N -1.84 0.56 -0.03 2.29 0.01 -0.30 -4.99 113.70 109.41 2gpf s SER 23 Ca 0.22 -1.33 0.06 0.00 1.31 0.00 0.00 55.95 56.20 2gpf s SER 23 Cb -0.11 0.71 -0.02 0.00 0.21 0.00 0.00 66.02 66.80 2gpf s SER 23 CO 0.13 -1.39 -0.20 0.27 0.41 0.00 0.00 173.24 172.46 2gpf s ILE 24 N -2.97 2.58 -0.02 1.44 -4.36 -1.26 -0.55 121.20 116.06 2gpf s ILE 24 Ca 0.26 -0.95 0.01 0.00 -0.26 0.00 0.00 60.65 59.71 2gpf s ILE 24 Cb -0.02 -1.97 0.01 0.00 1.25 0.00 0.00 42.46 41.73 2gpf s ILE 24 CO 0.17 0.56 -0.04 0.86 0.24 0.00 0.00 174.94 176.72 2gpf s TRP 25 N -0.70 0.58 -0.15 1.37 -0.11 0.15 -4.93 118.94 115.15 2gpf s TRP 25 Ca 0.11 -0.13 -0.31 0.00 1.22 0.00 0.00 56.10 57.00 2gpf s TRP 25 Cb -0.10 -0.48 -0.08 0.00 -1.50 0.00 0.00 33.47 31.30 2gpf s TRP 25 CO 0.00 -0.10 2.09 -2.30 -4.62 0.00 0.00 176.95 172.02 2gpf n PRO 26 N 3.57 2.10 0.01 5.86 -0.02 -1.26 0.42 135.00 145.68 2gpf n PRO 26 Ca -0.20 0.68 0.22 0.00 -2.02 0.00 0.00 63.50 62.18 2gpf n PRO 26 Cb 0.54 -2.96 0.73 0.00 -0.02 0.00 0.00 33.50 31.79 2gpf n PRO 26 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2gpf h GLU 27 N 12.45 0.00 -0.79 -0.52 4.57 -1.75 -0.16 114.58 128.37 2gpf h GLU 27 Ca -0.43 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 57.84 2gpf h GLU 27 Cb 1.26 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.78 2gpf h GLU 27 CO 0.96 0.00 0.45 1.88 -1.18 0.00 0.00 179.01 181.12 2gpf h TYR 28 N 0.00 0.82 -2.12 0.92 -1.99 -1.88 -3.43 116.97 109.30 2gpf h TYR 28 Ca 0.26 0.03 -0.45 0.00 2.00 0.00 0.00 58.73 60.57 2gpf h TYR 28 Cb 1.24 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 39.71 2gpf h TYR 28 CO 0.00 0.36 -0.34 0.15 -0.00 0.00 0.00 178.16 178.32 2gpf s LYS 29 N -6.05 3.27 0.06 4.88 1.02 -0.07 -5.08 119.74 117.76 2gpf s LYS 29 Ca -0.12 -0.81 -0.22 0.00 0.02 0.00 0.00 55.97 54.84 2gpf s LYS 29 Cb 0.19 -2.81 -0.06 0.00 -0.52 0.00 0.00 37.83 34.62 2gpf s LYS 29 CO 0.78 0.19 0.64 -2.00 -0.92 0.00 0.00 175.35 174.04 2gpf s GLU 30 N -4.14 4.35 0.78 1.68 2.12 -1.26 -4.82 118.70 117.40 2gpf s GLU 30 Ca 0.41 0.86 -0.14 0.00 0.36 0.00 0.00 54.97 56.46 2gpf s GLU 30 Cb -0.09 -3.30 0.06 0.00 0.26 0.00 0.00 34.13 31.06 2gpf s GLU 30 CO 0.31 0.48 1.20 0.96 -0.54 0.00 0.00 175.26 177.68 2gpf s ILE 31 N -0.64 2.19 0.60 -3.70 -4.36 -1.26 -4.98 121.20 109.05 2gpf s ILE 31 Ca 0.32 0.09 -0.18 0.00 -0.26 0.00 0.00 60.65 60.62 2gpf s ILE 31 Cb -0.20 -2.56 -0.03 0.00 1.25 0.00 0.00 42.46 40.92 2gpf s ILE 31 CO 0.20 -0.06 1.19 -2.84 0.24 0.00 0.00 174.94 173.68 2gpf s PRO 32 N -4.07 2.93 0.29 0.37 0.02 -1.26 -4.92 135.00 128.35 2gpf s PRO 32 Ca 0.73 1.76 -0.01 0.00 0.02 0.00 0.00 61.00 63.50 2gpf s PRO 32 Cb -0.29 -1.93 0.65 0.00 0.02 0.00 0.00 34.50 32.95 2gpf s PRO 32 CO 0.49 -1.23 1.60 1.96 -0.33 0.00 0.00 177.00 179.49 2gpf h GLN 33 N 0.75 0.06 -0.00 5.54 4.20 -2.05 0.68 115.11 124.28 2gpf h GLN 33 Ca -0.50 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.21 2gpf h GLN 33 Cb 1.29 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.06 2gpf h GLN 33 CO 0.55 0.04 -0.11 0.41 -0.67 0.00 0.00 178.83 179.04 2gpf n GLY 34 N -1.47 -0.99 3.79 3.46 0.00 -1.26 -4.84 105.19 103.88 2gpf n GLY 34 Ca 0.20 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 2gpf n GLY 34 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2gpf s TRP 35 N -2.51 3.09 0.05 1.61 0.52 0.23 -4.37 118.94 117.57 2gpf s TRP 35 Ca 0.28 -0.07 -0.07 0.00 0.02 0.00 0.00 56.10 56.25 2gpf s TRP 35 Cb 0.20 -1.44 -0.01 0.00 -1.15 0.00 0.00 33.47 31.07 2gpf s TRP 35 CO 0.48 0.52 0.15 0.50 0.02 0.00 0.00 176.95 178.62 2gpf s ARG 36 N -3.42 0.70 -0.00 4.98 3.52 -0.87 -4.68 118.95 119.18 2gpf s ARG 36 Ca 0.31 -0.80 -0.30 0.00 -0.13 0.00 0.00 55.73 54.81 2gpf s ARG 36 Cb -0.09 0.28 -0.05 0.00 -1.56 0.00 0.00 34.95 33.53 2gpf s ARG 36 CO 0.23 -0.20 1.26 0.00 -0.81 0.00 0.00 175.30 175.79 2gpf s ALA 37 N -3.05 3.49 0.25 6.12 0.00 -1.26 -0.29 121.76 127.02 2gpf s ALA 37 Ca -0.01 0.77 0.03 0.00 0.00 0.00 0.00 51.96 52.74 2gpf s ALA 37 Cb 0.01 -3.52 0.30 0.00 0.00 0.00 0.00 23.12 19.92 2gpf s ALA 37 CO -0.07 -0.70 1.61 0.00 0.00 0.00 0.00 175.76 176.61 2gpf h ALA 38 N 7.34 0.93 0.00 0.00 0.00 -0.59 -3.45 119.26 123.48 2gpf h ALA 38 Ca -0.37 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2gpf h ALA 38 Cb 1.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2gpf h ALA 38 CO 0.87 0.65 0.00 0.41 0.00 0.00 0.00 179.25 181.17 2gpf n GLY 39 N 0.02 1.16 3.67 0.00 0.00 -1.26 -5.07 105.19 103.71 2gpf n GLY 39 Ca -0.02 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 2gpf n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gpf s LYS 40 N 0.00 4.23 -0.00 1.61 1.02 -1.26 -4.96 119.74 120.37 2gpf s LYS 40 Ca 0.00 1.97 0.04 0.00 0.02 0.00 0.00 55.97 58.01 2gpf s LYS 40 Cb 0.00 -3.78 -0.03 0.00 -0.52 0.00 0.00 37.83 33.49 2gpf s LYS 40 CO 0.00 -0.72 -0.12 0.45 -0.92 0.00 0.00 175.35 174.04 2gpf s SER 41 N 2.48 4.22 0.00 2.83 0.15 -1.26 -3.19 113.70 118.93 2gpf s SER 41 Ca 0.65 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 57.06 2gpf s SER 41 Cb -0.30 -0.88 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 2gpf s SER 41 CO 0.24 0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.59 2gpf n GLY 42 N 1.77 -0.53 3.49 9.45 0.00 -0.50 -5.01 105.19 113.86 2gpf n GLY 42 Ca -0.16 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 2gpf n GLY 42 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2gpf s LEU 43 N 0.00 0.14 0.17 0.99 2.34 -1.26 -0.05 118.68 121.01 2gpf s LEU 43 Ca 0.00 0.79 -0.23 0.00 0.06 0.00 0.00 54.13 54.75 2gpf s LEU 43 Cb 0.00 -2.45 0.07 0.00 -0.56 0.00 0.00 46.19 43.25 2gpf s LEU 43 CO 0.00 -4.51 1.60 0.50 -1.06 0.00 0.00 176.35 172.88 2gpf h LYS 44 N -2.84 -0.23 -0.96 1.48 3.64 -1.22 -0.21 116.57 116.23 2gpf h LYS 44 Ca -0.46 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.05 2gpf h LYS 44 Cb 1.31 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 33.10 2gpf h LYS 44 CO 0.34 -0.15 0.59 -0.22 -2.27 0.00 0.00 179.45 177.74 2gpf h LYS 45 N -0.24 0.90 -0.58 1.90 3.11 -1.91 0.16 116.57 119.91 2gpf h LYS 45 Ca 0.18 -0.05 -0.09 0.00 -2.81 0.00 0.00 60.65 57.88 2gpf h LYS 45 Cb 0.54 -0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 31.55 2gpf h LYS 45 CO -0.56 0.59 0.02 0.22 -2.81 0.00 0.00 179.45 176.91 2gpf h ASP 46 N 0.93 0.95 -0.28 4.20 1.82 -1.39 -0.55 116.42 122.09 2gpf h ASP 46 Ca 0.48 -0.25 -0.18 0.00 -0.39 0.00 0.00 57.03 56.69 2gpf h ASP 46 Cb 0.48 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.23 2gpf h ASP 46 CO -0.27 0.99 -0.52 0.00 -1.61 0.00 0.00 179.24 177.83 2gpf h LEU 48 N 0.63 0.86 -0.79 0.00 3.38 -0.45 -1.11 115.31 117.83 2gpf h LEU 48 Ca 0.02 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2gpf h LEU 48 Cb 1.13 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 2gpf h LEU 48 CO 0.12 0.64 0.52 0.00 0.09 0.00 0.00 178.44 179.81 2gpf h ALA 49 N 1.25 1.00 -0.33 1.53 0.00 -1.02 -2.53 119.26 119.17 2gpf h ALA 49 Ca 0.27 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.18 2gpf h ALA 49 Cb -0.08 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.36 2gpf h ALA 49 CO -0.05 0.38 0.05 -0.92 0.00 0.00 0.00 179.25 178.71 2gpf h TYR 50 N 1.04 0.08 -0.10 0.00 5.03 -0.34 -2.35 116.97 120.33 2gpf h TYR 50 Ca 0.29 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.58 2gpf h TYR 50 Cb -0.09 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.19 2gpf h TYR 50 CO -0.02 0.00 -0.12 0.82 -1.32 0.00 0.00 178.16 177.52 2gpf h ILE 51 N 0.16 1.15 -0.89 1.81 1.08 -0.96 -1.74 117.51 118.11 2gpf h ILE 51 Ca 0.16 -0.66 -0.02 0.00 -0.39 0.00 0.00 64.86 63.95 2gpf h ILE 51 Cb 0.18 1.21 -0.04 0.00 -3.07 0.00 0.00 36.82 35.10 2gpf h ILE 51 CO -0.22 0.20 0.49 -0.08 -0.69 0.00 0.00 178.15 177.85 2gpf h GLU 52 N 0.15 1.25 -0.20 2.37 4.57 -1.01 -3.34 114.58 118.37 2gpf h GLU 52 Ca 0.03 -0.15 0.03 0.00 -1.18 0.00 0.00 59.36 58.10 2gpf h GLU 52 Cb 0.31 -0.24 -0.06 0.00 -0.16 0.00 0.00 28.75 28.60 2gpf h GLU 52 CO 0.02 0.91 -0.43 0.93 -1.18 0.00 0.00 179.01 179.26 2gpf h GLU 53 N 1.25 -0.38 0.00 1.92 4.39 -1.10 -3.44 114.58 117.23 2gpf h GLU 53 Ca 0.31 0.03 -0.39 0.00 0.34 0.00 0.00 59.36 59.65 2gpf h GLU 53 Cb 0.03 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 28.70 2gpf h GLU 53 CO -0.05 -0.25 -2.47 1.55 -1.16 0.00 0.00 179.01 176.63 2gpf n VAL 54 N -4.80 1.50 -0.57 3.13 3.14 -1.26 -4.33 118.33 115.14 2gpf n VAL 54 Ca -0.04 -0.56 0.05 0.00 -2.96 0.00 0.00 64.34 60.83 2gpf n VAL 54 Cb 0.28 -1.46 0.07 0.00 -1.06 0.00 0.00 33.84 31.67 2gpf n VAL 54 CO 0.00 0.00 0.00 1.87 -6.46 0.00 0.00 176.83 172.24 2gpf n TRP 55 N -3.32 0.00 -3.96 1.45 -0.00 -1.26 -4.65 117.44 105.69 2gpf n TRP 55 Ca -0.46 -0.72 -0.08 0.00 -0.00 0.00 0.00 57.50 56.24 2gpf n TRP 55 Cb 0.99 -0.10 -0.09 0.00 -0.00 0.00 0.00 31.31 32.11 2gpf n TRP 55 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 177.69 177.61 2gpf s THR 56 N -1.87 0.18 -0.32 5.87 -1.32 -1.26 -5.13 115.64 111.78 2gpf s THR 56 Ca 0.15 -1.44 -0.06 0.00 -1.21 0.00 0.00 61.69 59.13 2gpf s THR 56 Cb 0.13 -1.37 0.03 0.00 -1.51 0.00 0.00 72.50 69.78 2gpf s THR 56 CO 0.01 -0.80 0.09 -0.62 -2.21 0.00 0.00 174.62 171.09 2gpf s ASP 57 N -2.81 5.21 -0.13 8.08 2.15 -1.26 -4.72 116.67 123.19 2gpf s ASP 57 Ca 0.05 -1.04 -0.00 0.00 0.43 0.00 0.00 52.55 51.99 2gpf s ASP 57 Cb 0.06 -1.85 -0.02 0.00 -0.30 0.00 0.00 42.92 40.81 2gpf s ASP 57 CO -0.10 -0.29 -0.13 -0.04 -0.17 0.00 0.00 175.17 174.45 2gpf s MET 58 N 1.41 3.37 0.04 4.34 -1.94 -1.26 -5.04 119.30 120.22 2gpf s MET 58 Ca -0.01 -0.68 -0.24 0.00 -1.71 0.00 0.00 55.69 53.05 2gpf s MET 58 Cb -0.19 -2.63 -0.17 0.00 2.01 0.00 0.00 34.83 33.85 2gpf s MET 58 CO 0.02 0.23 1.50 -0.09 -0.01 0.00 0.00 175.02 176.68 2gpf h ARG 59 N 6.65 0.04 -1.80 2.03 9.65 -2.01 -3.05 114.38 125.90 2gpf h ARG 59 Ca -0.26 -0.01 -0.28 0.00 -1.10 0.00 0.00 59.98 58.32 2gpf h ARG 59 Cb 1.21 -0.01 -0.11 0.00 -1.39 0.00 0.00 29.97 29.67 2gpf h ARG 59 CO 0.56 0.28 0.21 -0.35 2.80 0.00 0.00 179.97 183.47 2gpf n PRO 60 N -4.94 1.82 0.38 0.20 -0.05 -1.26 -4.57 135.00 126.59 2gpf n PRO 60 Ca -0.07 -1.37 -0.19 0.00 -0.05 0.00 0.00 63.50 61.82 2gpf n PRO 60 Cb 0.15 -1.68 -0.09 0.00 -0.05 0.00 0.00 33.50 31.82 2gpf n PRO 60 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 175.50 176.70 2gpf h LEU 61 N 3.31 -1.16 -1.36 1.53 5.85 -1.96 -1.25 115.31 120.27 2gpf h LEU 61 Ca 0.24 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 59.01 2gpf h LEU 61 Cb 0.97 0.34 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 2gpf h LEU 61 CO 0.57 -0.69 -0.13 0.28 -0.34 0.00 0.00 178.44 178.13 2gpf h SER 62 N -1.09 0.00 -0.04 1.25 0.02 -1.88 0.19 113.55 112.00 2gpf h SER 62 Ca -0.09 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2gpf h SER 62 Cb 0.88 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.42 2gpf h SER 62 CO 0.07 0.13 0.01 0.25 -1.14 0.00 0.00 176.83 176.16 2gpf h LEU 63 N 0.00 0.05 0.00 5.07 5.85 -1.78 -3.03 115.31 121.47 2gpf h LEU 63 Ca -0.00 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2gpf h LEU 63 Cb 0.61 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.62 2gpf h LEU 63 CO 0.02 0.23 -0.41 0.03 -0.34 0.00 0.00 178.44 177.97 2gpf h ARG 64 N -0.13 0.00 -6.16 1.25 3.08 -1.04 -3.49 114.38 107.89 2gpf h ARG 64 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2gpf h ARG 64 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2gpf h ARG 64 CO -0.00 0.00 -0.66 0.00 -1.07 0.00 0.00 179.97 178.24 2gpf n GLN 65 N -2.25 -1.02 0.17 0.04 -0.00 0.04 -4.93 117.38 109.42 2gpf n GLN 65 Ca 0.04 1.18 -0.07 0.00 -0.00 0.00 0.00 57.00 58.15 2gpf n GLN 65 Cb 0.45 -1.36 -0.03 0.00 -0.00 0.00 0.00 30.24 29.29 2gpf n GLN 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2gpf h HIS 66 N 4.13 -0.41 0.00 2.61 -0.00 -1.85 -3.42 115.15 116.21 2gpf h HIS 66 Ca -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 2gpf h HIS 66 Cb 0.59 0.13 0.00 0.00 -0.00 0.00 0.00 27.41 28.13 2gpf h HIS 66 CO 0.00 -0.25 -0.74 -0.12 -0.00 0.00 0.00 177.93 176.82 2gpf n MET 67 N -3.20 0.39 -0.74 5.26 0.00 -1.26 -5.14 117.12 112.44 2gpf n MET 67 Ca -0.05 0.16 0.00 0.00 -0.00 0.00 0.00 57.70 57.80 2gpf n MET 67 Cb 0.17 -1.19 0.00 0.00 0.00 0.00 0.00 33.22 32.20 2gpf n MET 67 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2gpf n ASP 68 N -4.19 -4.41 -1.74 6.12 2.03 -1.26 -4.84 116.55 108.25 2gpf n ASP 68 Ca -0.10 0.64 -0.16 0.00 0.52 0.00 0.00 54.79 55.68 2gpf n ASP 68 Cb 0.39 -1.73 -0.02 0.00 -0.72 0.00 0.00 41.12 39.04 2gpf n ASP 68 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2gpf n LYS 69 N -1.17 -1.26 0.00 -0.67 4.81 -1.26 -4.23 118.16 114.38 2gpf n LYS 69 Ca 0.00 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 2gpf n LYS 69 Cb 0.04 -5.18 0.00 0.00 0.02 0.00 0.00 35.03 29.91 2gpf n LYS 69 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2gpf n ALA 70 N -1.31 0.00 -1.52 3.14 0.00 -1.26 -4.76 120.51 114.80 2gpf n ALA 70 Ca -0.19 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.08 2gpf n ALA 70 Cb 0.63 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.00 2gpf n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gpf n ALA 71 N 0.48 -0.27 1.11 0.00 0.00 -1.26 -4.96 120.51 115.62 2gpf n ALA 71 Ca 0.00 0.28 0.12 0.00 0.00 0.00 0.00 53.44 53.84 2gpf n ALA 71 Cb 0.00 -1.76 0.20 0.00 0.00 0.00 0.00 19.45 17.89 2gpf n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91