#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gcf s ALA 2 N 0.00 3.60 -0.30 -5.12 0.00 -1.19 -3.63 121.76 115.12 2gcf s ALA 2 Ca 0.00 1.01 -0.12 0.00 0.00 0.00 0.00 51.96 52.85 2gcf s ALA 2 Cb 0.00 -3.59 0.16 0.00 0.00 0.00 0.00 23.12 19.68 2gcf s ALA 2 CO 0.00 -0.85 0.87 1.14 0.00 0.00 0.00 175.76 176.92 2gcf s GLN 3 N 2.02 0.38 -0.06 0.00 -2.07 -1.26 -5.06 119.66 113.61 2gcf s GLN 3 Ca 0.66 0.92 -0.04 0.00 -1.82 0.00 0.00 55.36 55.08 2gcf s GLN 3 Cb -0.35 0.55 -0.04 0.00 -1.09 0.00 0.00 33.01 32.08 2gcf s GLN 3 CO 0.29 -0.18 0.14 -0.08 -1.32 0.00 0.00 175.29 174.13 2gcf s THR 4 N 2.65 5.26 -0.14 3.63 -1.32 -1.26 -4.18 115.64 120.28 2gcf s THR 4 Ca -0.01 -0.06 -0.02 0.00 -1.21 0.00 0.00 61.69 60.38 2gcf s THR 4 Cb -0.09 -3.37 -0.02 0.00 -1.51 0.00 0.00 72.50 67.51 2gcf s THR 4 CO -0.18 0.47 -0.07 -0.63 -2.21 0.00 0.00 174.62 172.00 2gcf s ILE 5 N -1.15 3.60 -0.18 5.08 1.09 -0.41 -4.93 121.20 124.29 2gcf s ILE 5 Ca 0.21 -0.47 -0.02 0.00 -1.10 0.00 0.00 60.65 59.27 2gcf s ILE 5 Cb -0.12 -2.55 -0.01 0.00 -1.06 0.00 0.00 42.46 38.73 2gcf s ILE 5 CO 0.11 0.52 -0.09 0.54 -0.10 0.00 0.00 174.94 175.91 2gcf s ASN 6 N 0.22 4.07 0.35 3.58 6.03 -1.26 -1.45 114.94 126.47 2gcf s ASN 6 Ca -0.05 -0.39 -0.12 0.00 -1.03 0.00 0.00 52.86 51.27 2gcf s ASN 6 Cb -0.14 -1.66 0.03 0.00 -3.03 0.00 0.00 41.25 36.44 2gcf s ASN 6 CO 0.04 0.05 0.66 -1.48 -2.03 0.00 0.00 177.10 174.33 2gcf s LEU 7 N 1.05 0.30 0.25 3.54 2.34 -0.32 -4.85 118.68 120.99 2gcf s LEU 7 Ca -0.00 -1.16 0.04 0.00 0.06 0.00 0.00 54.13 53.07 2gcf s LEU 7 Cb -0.15 2.32 -0.03 0.00 -0.56 0.00 0.00 46.19 47.78 2gcf s LEU 7 CO -0.01 -1.48 0.38 -1.10 -1.06 0.00 0.00 176.35 173.07 2gcf s GLN 8 N -2.89 3.44 -0.37 1.48 -0.21 -0.25 -0.53 119.66 120.33 2gcf s GLN 8 Ca 0.20 -0.71 0.01 0.00 0.02 0.00 0.00 55.36 54.87 2gcf s GLN 8 Cb -0.03 -2.87 0.12 0.00 1.00 0.00 0.00 33.01 31.22 2gcf s GLN 8 CO 0.13 0.40 0.16 -1.17 -2.12 0.00 0.00 175.29 172.70 2gcf s LEU 9 N -3.99 2.35 0.18 2.90 0.20 -0.18 -0.77 118.68 119.38 2gcf s LEU 9 Ca 0.35 -2.10 -0.06 0.00 0.69 0.00 0.00 54.13 53.01 2gcf s LEU 9 Cb -0.09 -0.90 -0.06 0.00 -0.43 0.00 0.00 46.19 44.71 2gcf s LEU 9 CO 0.30 -0.35 0.44 -1.61 -0.29 0.00 0.00 176.35 174.84 2gcf s GLU 10 N 1.04 3.66 0.00 1.98 2.02 0.26 -3.94 118.70 123.73 2gcf s GLU 10 Ca 0.14 -0.00 0.00 0.00 0.02 0.00 0.00 54.97 55.13 2gcf s GLU 10 Cb -0.21 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.25 2gcf s GLU 10 CO -0.12 0.40 0.00 0.41 0.02 0.00 0.00 175.26 175.97 2gcf n GLY 11 N -0.13 1.46 3.62 -1.39 0.00 -1.26 -0.63 105.19 106.86 2gcf n GLY 11 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 2gcf n GLY 11 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2gcf n MET 12 N -2.00 0.88 0.00 1.61 0.00 -1.25 -4.82 117.12 111.54 2gcf n MET 12 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 57.70 58.04 2gcf n MET 12 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 33.22 31.02 2gcf n MET 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 2gcf n ARG 13 N -1.16 0.00 -4.08 3.17 3.00 -1.26 -5.15 116.66 111.18 2gcf n ARG 13 Ca 0.14 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.82 2gcf n ARG 13 Cb 0.48 0.00 -0.15 0.00 0.00 0.00 0.00 32.46 32.78 2gcf n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2gcf n ALA 15 N 3.58 4.83 0.00 0.00 0.00 -1.26 -2.73 120.51 124.92 2gcf n ALA 15 Ca -0.20 -1.68 0.00 0.00 0.00 0.00 0.00 53.44 51.55 2gcf n ALA 15 Cb 0.54 -2.65 0.00 0.00 0.00 0.00 0.00 19.45 17.34 2gcf n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gcf n ALA 16 N 3.33 0.00 -0.08 0.00 0.00 -1.26 -4.90 120.51 117.60 2gcf n ALA 16 Ca 0.38 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.92 2gcf n ALA 16 Cb 0.39 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.30 2gcf n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gcf h ALA 18 N 1.70 -0.85 0.00 0.00 0.00 -1.89 -3.21 119.26 115.00 2gcf h ALA 18 Ca 0.25 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2gcf h ALA 18 Cb 0.36 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2gcf h ALA 18 CO -0.07 -0.80 0.00 0.43 0.00 0.00 0.00 179.25 178.81 2gcf n SER 19 N -4.65 0.14 0.25 0.00 7.64 -1.24 -0.80 113.62 114.96 2gcf n SER 19 Ca -0.09 0.53 0.17 0.00 1.01 0.00 0.00 58.87 60.49 2gcf n SER 19 Cb 0.28 -0.56 0.81 0.00 -1.01 0.00 0.00 64.21 63.73 2gcf n SER 19 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2gcf h SER 20 N 0.00 0.00 0.27 6.43 0.02 -1.46 -0.91 113.55 117.91 2gcf h SER 20 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2gcf h SER 20 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2gcf h SER 20 CO 0.00 0.00 -0.13 0.40 -1.14 0.00 0.00 176.83 175.96 2gcf h ILE 21 N 0.00 0.20 -0.42 3.27 2.04 -0.99 -3.09 117.51 118.51 2gcf h ILE 21 Ca 0.00 -0.81 0.07 0.00 1.00 0.00 0.00 64.86 65.12 2gcf h ILE 21 Cb 0.19 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 36.55 2gcf h ILE 21 CO 0.00 0.05 0.04 -0.33 0.00 0.00 0.00 178.15 177.91 2gcf h GLU 22 N -1.06 0.15 0.00 2.37 5.08 -1.56 0.14 114.58 119.70 2gcf h GLU 22 Ca -0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2gcf h GLU 22 Cb 0.37 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2gcf h GLU 22 CO 0.06 0.10 0.00 -0.09 -1.00 0.00 0.00 179.01 178.08 2gcf h ARG 23 N 0.15 0.00 0.02 2.33 2.43 -1.35 -0.82 114.38 117.15 2gcf h ARG 23 Ca 0.21 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 59.11 2gcf h ARG 23 Cb 0.29 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2gcf h ARG 23 CO -0.32 0.00 -1.07 0.00 -1.51 0.00 0.00 179.97 177.07 2gcf h ALA 24 N 2.04 0.13 -0.06 2.80 0.00 -0.72 -3.33 119.26 120.14 2gcf h ALA 24 Ca 0.00 -0.72 -0.10 0.00 0.00 0.00 0.00 54.91 54.09 2gcf h ALA 24 Cb 0.49 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2gcf h ALA 24 CO 0.00 0.71 -0.45 0.82 0.00 0.00 0.00 179.25 180.33 2gcf h ILE 25 N 0.35 1.33 0.00 0.00 2.04 -0.58 -3.16 117.51 117.48 2gcf h ILE 25 Ca -0.13 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.15 2gcf h ILE 25 Cb 1.73 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 2gcf h ILE 25 CO 0.21 0.46 0.40 0.00 0.00 0.00 0.00 178.15 179.22 2gcf h ALA 26 N 1.44 1.29 -0.00 1.87 0.00 -1.27 0.28 119.26 122.86 2gcf h ALA 26 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2gcf h ALA 26 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2gcf h ALA 26 CO 0.06 -0.29 -0.48 1.63 0.00 0.00 0.00 179.25 180.17 2gcf n LYS 27 N -2.10 0.38 -2.77 0.00 4.01 -1.20 -4.92 118.16 111.57 2gcf n LYS 27 Ca -0.01 -0.25 -0.42 0.00 -0.51 0.00 0.00 58.31 57.13 2gcf n LYS 27 Cb 0.42 -1.49 -0.03 0.00 -0.51 0.00 0.00 35.03 33.42 2gcf n LYS 27 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2gcf s VAL 28 N -2.79 4.87 0.45 -0.18 1.01 0.99 -4.96 120.40 119.78 2gcf s VAL 28 Ca 0.16 1.92 0.10 0.00 0.00 0.00 0.00 61.98 64.16 2gcf s VAL 28 Cb 0.18 -4.26 0.26 0.00 0.00 0.00 0.00 36.38 32.56 2gcf s VAL 28 CO 0.65 0.11 2.08 1.55 0.00 0.00 0.00 175.10 179.50 2gcf h PRO 29 N 6.93 0.35 -0.08 2.72 0.13 -1.91 -1.79 132.00 138.35 2gcf h PRO 29 Ca -0.37 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2gcf h PRO 29 Cb 1.19 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2gcf h PRO 29 CO 0.79 0.24 0.00 0.41 -0.23 0.00 0.00 178.00 179.21 2gcf n GLY 30 N -1.47 -0.59 3.56 1.56 0.00 -1.26 -4.78 105.19 102.21 2gcf n GLY 30 Ca 0.01 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 2gcf n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gcf s VAL 31 N -1.90 3.35 -0.60 1.61 0.11 -0.68 -2.30 120.40 119.99 2gcf s VAL 31 Ca 0.14 -0.29 0.24 0.00 -2.93 0.00 0.00 61.98 59.14 2gcf s VAL 31 Cb 0.07 -3.78 0.10 0.00 -1.53 0.00 0.00 36.38 31.24 2gcf s VAL 31 CO 0.10 -0.73 1.38 0.06 -3.33 0.00 0.00 175.10 172.58 2gcf h GLN 32 N 11.60 0.00 -1.03 1.54 -0.00 -1.36 -3.48 115.11 122.39 2gcf h GLN 32 Ca 0.08 0.00 0.26 0.00 -0.00 0.00 0.00 58.65 58.98 2gcf h GLN 32 Cb 1.00 0.00 -0.27 0.00 -0.00 0.00 0.00 27.48 28.21 2gcf h GLN 32 CO 1.16 0.00 0.98 -1.12 -0.00 0.00 0.00 178.83 179.85 2gcf s SER 33 N -4.50 -0.02 -0.08 0.06 0.01 -1.23 -5.00 113.70 102.95 2gcf s SER 33 Ca 0.06 0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.37 2gcf s SER 33 Cb 0.12 0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.37 2gcf s SER 33 CO 0.71 -0.02 -0.17 0.00 0.41 0.00 0.00 173.24 174.17 2gcf s GLN 35 N 0.52 0.05 -0.02 0.00 1.11 -0.59 -5.04 119.66 115.69 2gcf s GLN 35 Ca -0.16 0.55 -0.04 0.00 0.01 0.00 0.00 55.36 55.72 2gcf s GLN 35 Cb -0.17 -0.25 -0.04 0.00 -1.01 0.00 0.00 33.01 31.55 2gcf s GLN 35 CO 0.06 -0.29 0.18 0.14 0.01 0.00 0.00 175.29 175.40 2gcf s VAL 36 N 2.15 5.44 -0.57 1.09 -7.23 -1.26 -0.22 120.40 119.79 2gcf s VAL 36 Ca 0.01 -0.08 -0.08 0.00 -1.81 0.00 0.00 61.98 60.01 2gcf s VAL 36 Cb -0.12 -3.52 0.15 0.00 0.56 0.00 0.00 36.38 33.44 2gcf s VAL 36 CO -0.06 0.37 0.44 0.21 -0.31 0.00 0.00 175.10 175.75 2gcf s ASN 37 N -1.80 5.78 -0.08 4.85 3.84 -0.08 -4.98 114.94 122.46 2gcf s ASN 37 Ca 0.26 -2.27 -0.05 0.00 0.21 0.00 0.00 52.86 51.00 2gcf s ASN 37 Cb -0.13 -2.01 -0.22 0.00 -0.55 0.00 0.00 41.25 38.35 2gcf s ASN 37 CO 0.17 -0.60 3.08 0.33 -2.79 0.00 0.00 177.10 177.29 2gcf n PHE 38 N 4.41 0.12 0.00 0.43 7.35 -1.26 -1.64 117.46 126.87 2gcf n PHE 38 Ca -0.00 -1.34 0.00 0.00 -0.76 0.00 0.00 57.45 55.35 2gcf n PHE 38 Cb 0.41 -1.45 0.00 0.00 0.35 0.00 0.00 39.48 38.79 2gcf n PHE 38 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2gcf n ALA 39 N 2.66 0.58 -1.62 3.13 0.00 -1.26 -4.94 120.51 119.06 2gcf n ALA 39 Ca 0.38 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.82 2gcf n ALA 39 Cb 0.73 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.37 2gcf n ALA 39 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2gcf n LEU 40 N -1.53 3.22 0.00 0.00 7.94 -1.06 -5.02 117.00 120.56 2gcf n LEU 40 Ca 0.00 -3.98 0.00 0.00 -1.11 0.00 0.00 56.01 50.92 2gcf n LEU 40 Cb 0.00 -0.53 0.00 0.00 0.53 0.00 0.00 43.42 43.42 2gcf n LEU 40 CO 0.00 1.46 0.00 -0.62 -1.11 0.00 0.00 177.39 177.12 2gcf n GLU 41 N -1.08 0.00 -2.03 1.96 1.02 -0.65 -4.93 120.64 114.93 2gcf n GLU 41 Ca 0.24 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 57.10 2gcf n GLU 41 Cb 0.78 -4.28 0.06 0.00 -0.02 0.00 0.00 31.44 27.98 2gcf n GLU 41 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2gcf s GLN 42 N -0.66 2.48 0.10 3.49 -2.07 -1.25 -1.01 119.66 120.75 2gcf s GLN 42 Ca 0.00 0.15 0.06 0.00 -1.82 0.00 0.00 55.36 53.74 2gcf s GLN 42 Cb 0.00 -2.07 -0.03 0.00 -1.09 0.00 0.00 33.01 29.82 2gcf s GLN 42 CO 0.00 -1.18 -0.14 0.00 -1.32 0.00 0.00 175.29 172.64 2gcf s ALA 43 N -3.34 1.40 -0.08 2.60 0.00 0.31 -0.90 121.76 121.74 2gcf s ALA 43 Ca 0.59 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 51.38 2gcf s ALA 43 Cb -0.11 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.93 2gcf s ALA 43 CO 0.48 0.14 -0.14 0.54 0.00 0.00 0.00 175.76 176.78 2gcf s VAL 44 N -1.80 1.32 -0.15 0.00 0.11 0.70 -1.17 120.40 119.41 2gcf s VAL 44 Ca 0.05 -0.56 -0.10 0.00 -2.93 0.00 0.00 61.98 58.44 2gcf s VAL 44 Cb -0.07 -1.20 0.05 0.00 -1.53 0.00 0.00 36.38 33.63 2gcf s VAL 44 CO 0.03 0.40 0.37 -0.69 -3.33 0.00 0.00 175.10 171.88 2gcf s VAL 45 N 0.80 -0.02 -0.22 2.04 1.01 -0.53 -1.54 120.40 121.94 2gcf s VAL 45 Ca -0.11 0.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 2gcf s VAL 45 Cb -0.16 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 2gcf s VAL 45 CO 0.02 0.03 0.00 -0.55 0.00 0.00 0.00 175.10 174.60 2gcf s SER 46 N 1.01 4.70 -0.29 3.32 0.15 -1.18 -1.28 113.70 120.12 2gcf s SER 46 Ca -0.07 -0.28 0.20 0.00 0.70 0.00 0.00 55.95 56.50 2gcf s SER 46 Cb -0.07 -1.82 0.48 0.00 -1.71 0.00 0.00 66.02 62.90 2gcf s SER 46 CO -0.08 -0.00 1.15 0.00 1.20 0.00 0.00 173.24 175.51 2gcf n TYR 47 N 4.68 0.53 -3.77 3.44 4.11 -1.17 -0.97 117.16 124.01 2gcf n TYR 47 Ca -0.17 -2.22 -0.13 0.00 -0.00 0.00 0.00 57.90 55.38 2gcf n TYR 47 Cb 0.51 0.10 -0.11 0.00 -0.00 0.00 0.00 39.34 39.85 2gcf n TYR 47 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.86 175.85 2gcf s HIS 48 N -2.84 -0.34 -0.07 -3.48 3.76 -0.97 -4.60 115.29 106.76 2gcf s HIS 48 Ca 0.24 0.82 0.04 0.00 -0.15 0.00 0.00 55.06 56.01 2gcf s HIS 48 Cb 0.38 0.12 -0.07 0.00 1.11 0.00 0.00 32.58 34.12 2gcf s HIS 48 CO -0.04 -0.16 -0.01 0.41 -0.85 0.00 0.00 174.74 174.09 2gcf n GLY 49 N 2.92 -0.24 0.00 -2.22 0.00 -1.24 -3.16 105.19 101.25 2gcf n GLY 49 Ca -0.13 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2gcf n GLY 49 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2gcf n GLU 50 N -2.39 0.00 -2.38 1.61 0.00 -1.26 -1.18 120.64 115.04 2gcf n GLU 50 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.62 2gcf n GLU 50 Cb 0.68 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 32.10 2gcf n GLU 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2gcf s THR 51 N 3.85 4.02 -0.16 3.84 2.01 -1.26 -3.59 115.64 124.35 2gcf s THR 51 Ca 0.00 1.10 -0.01 0.00 0.31 0.00 0.00 61.69 63.09 2gcf s THR 51 Cb 0.00 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.29 2gcf s THR 51 CO 0.00 -0.61 0.36 0.41 -0.69 0.00 0.00 174.62 174.09 2gcf n THR 52 N 6.61 0.00 -2.26 -0.82 -1.04 -1.26 -4.80 114.28 110.71 2gcf n THR 52 Ca 0.16 -0.09 -0.41 0.00 -2.04 0.00 0.00 64.05 61.67 2gcf n THR 52 Cb 0.47 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.95 2gcf n THR 52 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2gcf s PRO 53 N 1.19 3.13 0.14 -2.82 0.04 -1.26 -4.86 135.00 130.56 2gcf s PRO 53 Ca 0.21 0.59 0.14 0.00 0.04 0.00 0.00 61.00 61.98 2gcf s PRO 53 Cb -0.13 -4.20 0.66 0.00 0.04 0.00 0.00 34.50 30.86 2gcf s PRO 53 CO 0.09 -2.14 1.43 0.94 0.04 0.00 0.00 177.00 177.36 2gcf n GLN 54 N 8.80 0.08 0.28 4.56 7.27 -1.26 -1.29 117.38 135.82 2gcf n GLN 54 Ca 0.15 0.46 0.08 0.00 0.07 0.00 0.00 57.00 57.76 2gcf n GLN 54 Cb 0.50 -1.70 0.34 0.00 2.41 0.00 0.00 30.24 31.78 2gcf n GLN 54 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 2gcf h ILE 55 N 0.00 0.02 -1.24 1.69 5.03 -1.98 -1.68 117.51 119.34 2gcf h ILE 55 Ca 0.00 0.00 0.36 0.00 -0.12 0.00 0.00 64.86 65.10 2gcf h ILE 55 Cb 0.14 0.25 -0.07 0.00 -3.03 0.00 0.00 36.82 34.11 2gcf h ILE 55 CO 0.00 0.00 0.86 0.17 -0.68 0.00 0.00 178.15 178.50 2gcf h LEU 56 N 0.00 0.14 0.00 1.44 8.10 -1.53 -1.92 115.31 121.53 2gcf h LEU 56 Ca 0.05 0.04 -0.25 0.00 0.11 0.00 0.00 57.88 57.82 2gcf h LEU 56 Cb 1.59 0.02 -0.05 0.00 -0.44 0.00 0.00 40.66 41.78 2gcf h LEU 56 CO -0.00 0.00 -2.24 1.07 -4.11 0.00 0.00 178.44 173.16 2gcf n THR 57 N -4.32 0.96 -0.25 0.15 5.66 -0.63 -4.51 114.28 111.32 2gcf n THR 57 Ca 0.29 -0.74 0.05 0.00 -3.05 0.00 0.00 64.05 60.59 2gcf n THR 57 Cb 1.25 -0.33 0.18 0.00 -1.55 0.00 0.00 70.33 69.88 2gcf n THR 57 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 2gcf h ASP 58 N 0.00 0.28 0.46 1.09 3.58 -1.45 -2.42 116.42 117.96 2gcf h ASP 58 Ca -0.37 0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.16 2gcf h ASP 58 Cb 1.84 0.08 -0.00 0.00 1.72 0.00 0.00 39.33 42.97 2gcf h ASP 58 CO 0.02 0.11 -0.13 0.00 -2.88 0.00 0.00 179.24 176.36 2gcf h ALA 59 N 1.54 1.23 0.12 -0.78 0.00 -1.76 -1.73 119.26 117.88 2gcf h ALA 59 Ca 0.41 -0.12 -0.27 0.00 0.00 0.00 0.00 54.91 54.92 2gcf h ALA 59 Cb 0.60 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.38 2gcf h ALA 59 CO -0.39 0.16 -1.22 -0.39 0.00 0.00 0.00 179.25 177.41 2gcf h VAL 60 N 0.00 1.46 0.00 0.00 -1.51 -1.70 -3.30 116.25 111.20 2gcf h VAL 60 Ca -0.00 -2.91 -0.05 0.00 -1.23 0.00 0.00 66.70 62.51 2gcf h VAL 60 Cb 0.40 2.86 -0.01 0.00 -2.13 0.00 0.00 31.29 32.41 2gcf h VAL 60 CO 0.02 0.86 -0.22 -0.33 -1.23 0.00 0.00 177.57 176.67 2gcf h GLU 61 N 0.11 0.00 -0.89 5.19 4.39 -1.23 -1.64 114.58 120.51 2gcf h GLU 61 Ca -0.14 0.00 0.26 0.00 0.34 0.00 0.00 59.36 59.82 2gcf h GLU 61 Cb 1.92 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.54 2gcf h GLU 61 CO 0.21 0.22 0.78 -0.09 -1.16 0.00 0.00 179.01 178.96 2gcf h ARG 62 N 0.00 0.00 -0.01 2.33 1.12 -1.44 -0.25 114.38 116.14 2gcf h ARG 62 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2gcf h ARG 62 Cb 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.38 2gcf h ARG 62 CO 0.03 0.00 -0.59 0.00 -3.11 0.00 0.00 179.97 176.29 2gcf n ALA 63 N -2.52 3.78 -0.97 2.80 0.00 -0.68 -4.97 120.51 117.95 2gcf n ALA 63 Ca 0.19 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2gcf n ALA 63 Cb 1.08 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2gcf n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gcf n GLY 64 N 1.34 0.55 3.97 0.00 0.00 -0.10 -5.03 105.19 105.91 2gcf n GLY 64 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 2gcf n GLY 64 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gcf s TYR 65 N -2.13 3.34 0.01 1.61 2.02 -0.84 -4.88 117.35 116.47 2gcf s TYR 65 Ca 0.00 -0.05 0.03 0.00 -0.37 0.00 0.00 57.07 56.68 2gcf s TYR 65 Cb 0.00 -1.77 -0.01 0.00 -0.40 0.00 0.00 41.96 39.78 2gcf s TYR 65 CO 0.00 0.23 -0.08 -1.01 -1.57 0.00 0.00 175.55 173.12 2gcf s HIS 66 N -2.09 0.73 -0.32 2.71 3.76 0.19 -2.97 115.29 117.30 2gcf s HIS 66 Ca 0.39 -0.25 -0.26 0.00 -0.15 0.00 0.00 55.06 54.79 2gcf s HIS 66 Cb -0.09 -0.45 0.01 0.00 1.11 0.00 0.00 32.58 33.15 2gcf s HIS 66 CO 0.31 -0.02 0.91 0.00 -0.85 0.00 0.00 174.74 175.09 2gcf s ALA 67 N -0.57 3.50 -0.16 -1.40 0.00 -1.26 -0.57 121.76 121.29 2gcf s ALA 67 Ca -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 51.96 51.65 2gcf s ALA 67 Cb -0.05 -3.47 -0.00 0.00 0.00 0.00 0.00 23.12 19.59 2gcf s ALA 67 CO 0.00 -1.37 -0.13 0.50 0.00 0.00 0.00 175.76 174.76 2gcf s ARG 68 N 3.29 3.26 -0.03 0.00 6.06 0.05 -4.96 118.95 126.61 2gcf s ARG 68 Ca 0.38 -0.72 -0.30 0.00 -2.50 0.00 0.00 55.73 52.59 2gcf s ARG 68 Cb -0.13 -2.70 -0.03 0.00 0.06 0.00 0.00 34.95 32.15 2gcf s ARG 68 CO 0.14 -0.01 1.07 0.08 -2.50 0.00 0.00 175.30 174.08 2gcf s VAL 69 N 0.89 4.58 -0.67 7.11 1.01 -1.26 -1.09 120.40 130.97 2gcf s VAL 69 Ca -0.03 1.86 0.07 0.00 0.00 0.00 0.00 61.98 63.88 2gcf s VAL 69 Cb -0.15 -4.19 0.20 0.00 0.00 0.00 0.00 36.38 32.24 2gcf s VAL 69 CO -0.01 0.08 1.14 0.00 0.00 0.00 0.00 175.10 176.31 2gcf n LEU 70 N 4.44 2.56 -3.16 3.92 -0.00 -1.26 -4.77 117.00 118.73 2gcf n LEU 70 Ca 0.08 -1.91 -0.22 0.00 -0.00 0.00 0.00 56.01 53.96 2gcf n LEU 70 Cb 0.49 -0.15 -0.05 0.00 -0.00 0.00 0.00 43.42 43.71 2gcf n LEU 70 CO 0.53 0.63 -0.25 0.29 -0.00 0.00 0.00 177.39 178.60 2gcf n LYS 71 N 0.23 0.76 -2.02 1.47 5.02 -1.26 -5.05 118.16 117.31 2gcf n LYS 71 Ca 0.08 -3.14 -0.27 0.00 -2.02 0.00 0.00 58.31 52.96 2gcf n LYS 71 Cb 0.36 -1.31 -0.06 0.00 -0.02 0.00 0.00 35.03 33.99 2gcf n LYS 71 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2gcf s GLN 72 N -1.26 2.40 0.00 1.97 0.00 -1.26 -5.26 119.66 116.24 2gcf s GLN 72 Ca 0.36 -0.87 0.00 0.00 -0.00 0.00 0.00 55.36 54.85 2gcf s GLN 72 Cb 0.21 -5.17 0.00 0.00 0.00 0.00 0.00 33.01 28.05 2gcf s GLN 72 CO -0.11 -3.96 0.00 1.04 0.00 0.00 0.00 175.29 172.26