#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gcf n ALA 2 N 0.00 -0.58 -1.15 3.04 0.00 -1.26 -4.86 120.51 115.70 2gcf n ALA 2 Ca 0.00 0.17 -0.32 0.00 0.00 0.00 0.00 53.44 53.29 2gcf n ALA 2 Cb 0.00 -1.76 -0.05 0.00 0.00 0.00 0.00 19.45 17.64 2gcf n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gcf n GLN 3 N -2.67 3.14 -3.83 0.00 0.00 -1.26 -4.91 117.38 107.86 2gcf n GLN 3 Ca -0.18 -1.88 -0.37 0.00 0.00 0.00 0.00 57.00 54.57 2gcf n GLN 3 Cb 0.61 -2.61 -0.06 0.00 0.00 0.00 0.00 30.24 28.18 2gcf n GLN 3 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 2gcf s THR 4 N 2.25 5.44 -0.19 -0.39 -1.32 -1.26 -4.34 115.64 115.82 2gcf s THR 4 Ca 0.63 0.29 -0.12 0.00 -1.21 0.00 0.00 61.69 61.29 2gcf s THR 4 Cb 0.18 -3.45 -0.05 0.00 -1.51 0.00 0.00 72.50 67.68 2gcf s THR 4 CO -0.05 0.61 0.20 -0.63 -2.21 0.00 0.00 174.62 172.54 2gcf s ILE 5 N -1.04 5.36 -0.05 5.08 -1.09 -0.13 -4.90 121.20 124.43 2gcf s ILE 5 Ca 0.16 0.33 0.06 0.00 -2.23 0.00 0.00 60.65 58.97 2gcf s ILE 5 Cb -0.13 -3.54 -0.01 0.00 -1.58 0.00 0.00 42.46 37.21 2gcf s ILE 5 CO 0.06 0.40 -0.22 0.54 -1.23 0.00 0.00 174.94 174.49 2gcf s ASN 6 N 0.52 2.69 0.15 3.58 2.20 -1.26 -1.28 114.94 121.54 2gcf s ASN 6 Ca 0.11 -0.44 -0.25 0.00 -0.94 0.00 0.00 52.86 51.34 2gcf s ASN 6 Cb -0.12 -0.69 0.07 0.00 -2.00 0.00 0.00 41.25 38.51 2gcf s ASN 6 CO 0.01 0.22 0.99 -1.48 -2.94 0.00 0.00 177.10 173.90 2gcf s LEU 7 N -0.13 -0.14 0.34 3.54 2.34 -0.65 -4.76 118.68 119.22 2gcf s LEU 7 Ca -0.02 -0.44 0.07 0.00 0.06 0.00 0.00 54.13 53.80 2gcf s LEU 7 Cb -0.12 2.10 -0.01 0.00 -0.56 0.00 0.00 46.19 47.60 2gcf s LEU 7 CO 0.03 -0.88 0.45 -1.10 -1.06 0.00 0.00 176.35 173.78 2gcf s GLN 8 N -3.05 3.06 -0.13 1.48 -0.21 -0.35 -0.30 119.66 120.15 2gcf s GLN 8 Ca 0.14 -1.06 0.02 0.00 0.02 0.00 0.00 55.36 54.48 2gcf s GLN 8 Cb -0.01 -2.77 0.01 0.00 1.00 0.00 0.00 33.01 31.24 2gcf s GLN 8 CO 0.02 0.06 -0.19 -1.17 -2.12 0.00 0.00 175.29 171.89 2gcf s LEU 9 N -4.15 1.96 0.14 2.90 0.20 -0.22 -0.75 118.68 118.75 2gcf s LEU 9 Ca 0.45 -0.54 0.03 0.00 0.69 0.00 0.00 54.13 54.76 2gcf s LEU 9 Cb -0.09 -1.31 -0.04 0.00 -0.43 0.00 0.00 46.19 44.32 2gcf s LEU 9 CO 0.30 0.06 0.23 -0.70 -0.29 0.00 0.00 176.35 175.95 2gcf s GLU 10 N 0.88 3.30 0.00 1.98 -6.30 0.48 -4.31 118.70 114.73 2gcf s GLU 10 Ca -0.07 -0.64 0.00 0.00 -2.50 0.00 0.00 54.97 51.76 2gcf s GLU 10 Cb -0.15 -2.90 0.00 0.00 0.00 0.00 0.00 34.13 31.08 2gcf s GLU 10 CO -0.02 0.53 0.00 0.41 0.02 0.00 0.00 175.26 176.20 2gcf n GLY 11 N -0.33 2.37 3.60 -1.50 0.00 -1.26 -1.28 105.19 106.79 2gcf n GLY 11 Ca -0.07 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.64 1.29 0.00 1.61 0.00 -1.26 -4.78 117.12 112.33 2gcf n MET 12 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 57.70 58.16 2gcf n MET 12 Cb 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 33.22 31.17 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 2.19 0.00 0.00 3.17 0.63 -1.26 -5.15 116.66 116.24 2gcf n ARG 13 Ca 0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 2gcf n ARG 13 Cb 0.23 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.14 2gcf n ARG 13 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2gcf n ALA 15 N -3.00 0.00 0.00 0.00 0.00 -1.26 -4.18 120.51 112.07 2gcf n ALA 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2gcf n ALA 15 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 0.70 0.00 0.25 0.00 0.00 -1.26 -4.89 120.51 115.30 2gcf n ALA 16 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2gcf n ALA 16 Cb 0.00 -0.11 0.47 0.00 0.00 0.00 0.00 19.45 19.81 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 0.77 -0.10 0.00 0.00 0.00 -1.90 -1.78 119.26 116.26 2gcf h ALA 18 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2gcf h ALA 18 Cb 1.45 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2gcf h ALA 18 CO -0.00 -0.59 0.00 0.43 0.00 0.00 0.00 179.25 179.09 2gcf n SER 19 N -5.24 0.30 0.02 0.00 7.64 -1.23 -1.06 113.62 114.06 2gcf n SER 19 Ca -0.05 0.56 0.07 0.00 1.01 0.00 0.00 58.87 60.46 2gcf n SER 19 Cb 0.16 -0.63 0.32 0.00 -1.01 0.00 0.00 64.21 63.05 2gcf n SER 19 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2gcf n SER 20 N -1.82 0.11 0.04 6.43 2.88 -0.67 -2.06 113.62 118.52 2gcf n SER 20 Ca 0.04 0.53 -0.08 0.00 -1.33 0.00 0.00 58.87 58.03 2gcf n SER 20 Cb 0.25 -0.55 -0.05 0.00 -0.75 0.00 0.00 64.21 63.10 2gcf n SER 20 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2gcf h ILE 21 N 0.00 0.55 -0.72 2.46 2.04 -1.07 -3.16 117.51 117.61 2gcf h ILE 21 Ca 0.00 -1.13 0.15 0.00 1.00 0.00 0.00 64.86 64.88 2gcf h ILE 21 Cb 0.25 0.97 -0.11 0.00 -0.74 0.00 0.00 36.82 37.19 2gcf h ILE 21 CO 0.00 0.16 0.16 -0.33 0.00 0.00 0.00 178.15 178.15 2gcf h GLU 22 N -0.98 0.26 0.00 2.37 5.08 -1.60 0.10 114.58 119.81 2gcf h GLU 22 Ca -0.02 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2gcf h GLU 22 Cb 0.42 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 2gcf h GLU 22 CO 0.03 0.17 -0.12 -0.09 -1.00 0.00 0.00 179.01 178.00 2gcf h ARG 23 N 0.26 0.00 0.11 2.33 9.65 -1.58 -2.39 114.38 122.77 2gcf h ARG 23 Ca 0.40 0.00 -0.26 0.00 -1.10 0.00 0.00 59.98 59.02 2gcf h ARG 23 Cb 0.67 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.25 2gcf h ARG 23 CO -0.50 0.12 -1.29 0.00 2.80 0.00 0.00 179.97 181.10 2gcf h ALA 24 N 1.88 0.14 0.00 2.80 0.00 -0.85 -3.36 119.26 119.87 2gcf h ALA 24 Ca -0.00 -1.03 -0.02 0.00 0.00 0.00 0.00 54.91 53.86 2gcf h ALA 24 Cb 0.55 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2gcf h ALA 24 CO 0.02 0.74 -0.08 0.82 0.00 0.00 0.00 179.25 180.74 2gcf h ILE 25 N -0.37 0.65 0.00 0.00 2.04 -0.96 -1.16 117.51 117.71 2gcf h ILE 25 Ca -0.28 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.23 2gcf h ILE 25 Cb 1.70 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 2gcf h ILE 25 CO 0.05 0.08 0.36 0.00 0.00 0.00 0.00 178.15 178.64 2gcf n ALA 26 N -2.34 0.49 0.79 1.87 0.00 -0.91 0.06 120.51 120.48 2gcf n ALA 26 Ca -0.02 0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.60 2gcf n ALA 26 Cb 0.18 -0.59 0.01 0.00 0.00 0.00 0.00 19.45 19.05 2gcf n ALA 26 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2gcf n LYS 27 N -1.80 0.14 -2.53 0.00 4.01 -0.44 -4.96 118.16 112.58 2gcf n LYS 27 Ca -0.01 -0.01 -0.42 0.00 -0.51 0.00 0.00 58.31 57.36 2gcf n LYS 27 Cb 0.37 -1.53 -0.03 0.00 -0.51 0.00 0.00 35.03 33.33 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 -3.10 4.40 0.38 -0.18 1.01 0.11 -4.94 120.40 118.09 2gcf s VAL 28 Ca 0.06 1.71 0.31 0.00 0.00 0.00 0.00 61.98 64.07 2gcf s VAL 28 Cb 0.16 -4.10 0.33 0.00 0.00 0.00 0.00 36.38 32.77 2gcf s VAL 28 CO 0.81 0.03 2.09 1.55 0.00 0.00 0.00 175.10 179.58 2gcf h PRO 29 N 7.23 0.00 -0.01 2.72 0.13 -1.90 -1.27 132.00 138.91 2gcf h PRO 29 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2gcf h PRO 29 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2gcf h PRO 29 CO 0.85 0.08 -0.01 0.41 -0.23 0.00 0.00 178.00 179.11 2gcf n GLY 30 N -0.58 -0.61 3.69 1.56 0.00 -1.26 -4.90 105.19 103.09 2gcf n GLY 30 Ca -0.01 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 2gcf n GLY 30 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2gcf n VAL 31 N -0.55 0.40 -0.01 1.61 3.14 -0.48 -1.63 118.33 120.81 2gcf n VAL 31 Ca 0.21 -0.07 0.02 0.00 -2.96 0.00 0.00 64.34 61.54 2gcf n VAL 31 Cb 0.22 -2.16 -0.05 0.00 -1.06 0.00 0.00 33.84 30.79 2gcf n VAL 31 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2gcf n GLN 32 N 5.80 0.59 0.00 1.45 -0.00 0.08 -4.94 117.38 120.36 2gcf n GLN 32 Ca 0.18 -0.05 0.00 0.00 -0.00 0.00 0.00 57.00 57.13 2gcf n GLN 32 Cb 0.38 -1.14 0.00 0.00 -0.00 0.00 0.00 30.24 29.48 2gcf n GLN 32 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2gcf n SER 33 N -1.78 0.00 -4.59 2.61 7.64 -1.25 -5.02 113.62 111.24 2gcf n SER 33 Ca -0.02 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.52 2gcf n SER 33 Cb 0.23 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.32 2gcf n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gcf s GLN 35 N -0.75 0.24 -0.09 0.00 1.11 -0.83 -5.04 119.66 114.30 2gcf s GLN 35 Ca 0.11 0.78 0.01 0.00 0.01 0.00 0.00 55.36 56.28 2gcf s GLN 35 Cb -0.11 -0.04 0.02 0.00 -1.01 0.00 0.00 33.01 31.86 2gcf s GLN 35 CO 0.02 -0.34 -0.11 0.08 0.01 0.00 0.00 175.29 174.95 2gcf s VAL 36 N 2.50 1.12 -0.72 1.09 1.01 -1.26 -0.50 120.40 123.64 2gcf s VAL 36 Ca 0.02 -0.42 -0.15 0.00 0.00 0.00 0.00 61.98 61.44 2gcf s VAL 36 Cb -0.13 -1.07 0.18 0.00 0.00 0.00 0.00 36.38 35.37 2gcf s VAL 36 CO -0.11 0.37 0.67 0.21 0.00 0.00 0.00 175.10 176.24 2gcf s ASN 37 N 1.10 6.54 -0.68 3.32 3.84 0.44 -4.95 114.94 124.55 2gcf s ASN 37 Ca -0.06 -2.34 -0.06 0.00 0.21 0.00 0.00 52.86 50.61 2gcf s ASN 37 Cb -0.14 -2.21 -0.11 0.00 -0.55 0.00 0.00 41.25 38.23 2gcf s ASN 37 CO -0.02 -0.69 2.52 0.33 -2.79 0.00 0.00 177.10 176.45 2gcf n PHE 38 N 4.50 1.01 0.00 0.43 -0.00 -1.26 -1.75 117.46 120.40 2gcf n PHE 38 Ca 0.03 -1.81 0.00 0.00 -0.00 0.00 0.00 57.45 55.67 2gcf n PHE 38 Cb 0.44 -1.66 0.00 0.00 -0.00 0.00 0.00 39.48 38.27 2gcf n PHE 38 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2gcf n ALA 39 N 3.45 0.71 -1.05 3.13 0.00 -1.26 -4.88 120.51 120.61 2gcf n ALA 39 Ca 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.82 2gcf n ALA 39 Cb 0.36 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.11 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 -2.45 6.21 0.00 0.00 7.94 -1.19 -4.98 117.00 122.54 2gcf n LEU 40 Ca 0.00 -3.24 0.00 0.00 -1.11 0.00 0.00 56.01 51.66 2gcf n LEU 40 Cb 0.00 -0.76 0.00 0.00 0.53 0.00 0.00 43.42 43.19 2gcf n LEU 40 CO 0.00 0.82 0.00 -0.62 -1.11 0.00 0.00 177.39 176.48 2gcf n GLU 41 N -0.20 0.00 -2.45 1.96 1.02 -0.71 -4.95 120.64 115.30 2gcf n GLU 41 Ca 0.43 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 57.20 2gcf n GLU 41 Cb 1.42 -3.75 -0.03 0.00 -0.02 0.00 0.00 31.44 29.06 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 0.00 4.07 0.05 3.49 -2.07 -1.20 -1.05 119.66 122.95 2gcf s GLN 42 Ca 0.00 1.61 0.05 0.00 -1.82 0.00 0.00 55.36 55.19 2gcf s GLN 42 Cb 0.00 -2.54 -0.04 0.00 -1.09 0.00 0.00 33.01 29.34 2gcf s GLN 42 CO 0.00 -0.24 -0.06 0.00 -1.32 0.00 0.00 175.29 173.67 2gcf s ALA 43 N -1.60 3.08 -0.06 2.60 0.00 0.58 -0.42 121.76 125.94 2gcf s ALA 43 Ca 0.59 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.45 2gcf s ALA 43 Cb -0.24 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 21.81 2gcf s ALA 43 CO 0.30 0.64 -0.05 0.54 0.00 0.00 0.00 175.76 177.20 2gcf s VAL 44 N -1.14 0.63 -0.17 0.00 0.11 0.35 -1.63 120.40 118.55 2gcf s VAL 44 Ca 0.20 -0.12 -0.11 0.00 -2.93 0.00 0.00 61.98 59.02 2gcf s VAL 44 Cb -0.11 -0.68 0.05 0.00 -1.53 0.00 0.00 36.38 34.11 2gcf s VAL 44 CO 0.12 0.27 0.41 -0.69 -3.33 0.00 0.00 175.10 171.88 2gcf s VAL 45 N 1.29 -0.02 -0.24 2.04 1.01 -0.40 -1.96 120.40 122.11 2gcf s VAL 45 Ca -0.05 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 2gcf s VAL 45 Cb -0.14 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 2gcf s VAL 45 CO -0.02 0.03 0.08 -0.55 0.00 0.00 0.00 175.10 174.64 2gcf s SER 46 N 1.02 5.30 -0.28 3.32 0.15 -1.24 -0.96 113.70 121.03 2gcf s SER 46 Ca -0.06 -0.14 0.20 0.00 0.70 0.00 0.00 55.95 56.65 2gcf s SER 46 Cb -0.07 -1.95 0.48 0.00 -1.71 0.00 0.00 66.02 62.77 2gcf s SER 46 CO -0.09 -0.01 1.22 0.00 1.20 0.00 0.00 173.24 175.57 2gcf n TYR 47 N 4.75 0.41 -3.79 3.44 4.11 -1.21 -0.74 117.16 124.14 2gcf n TYR 47 Ca -0.16 -2.01 -0.13 0.00 -0.00 0.00 0.00 57.90 55.61 2gcf n TYR 47 Cb 0.52 0.22 -0.11 0.00 -0.00 0.00 0.00 39.34 39.96 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 -2.77 -0.26 0.00 -3.48 3.76 -0.65 -4.40 115.29 107.50 2gcf s HIS 48 Ca 0.23 0.62 0.00 0.00 -0.15 0.00 0.00 55.06 55.75 2gcf s HIS 48 Cb 0.35 0.09 0.00 0.00 1.11 0.00 0.00 32.58 34.13 2gcf s HIS 48 CO -0.06 -0.14 0.00 0.41 -0.85 0.00 0.00 174.74 174.09 2gcf n GLY 49 N 2.84 0.16 3.74 -2.22 0.00 -1.26 -4.70 105.19 103.75 2gcf n GLY 49 Ca -0.13 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 2gcf n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2gcf s GLU 50 N 0.00 4.58 0.00 1.61 -6.30 -1.26 -4.81 118.70 112.52 2gcf s GLU 50 Ca 0.00 1.76 0.00 0.00 -2.50 0.00 0.00 54.97 54.23 2gcf s GLU 50 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 34.13 30.87 2gcf s GLU 50 CO 0.00 0.07 0.00 2.41 0.02 0.00 0.00 175.26 177.76 2gcf n THR 51 N 2.24 0.00 0.00 -1.70 -1.04 -1.26 -4.28 114.28 108.24 2gcf n THR 51 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2gcf n THR 51 Cb 0.46 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 2gcf n THR 51 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2gcf n THR 52 N 0.00 0.00 -2.58 12.58 -1.04 -1.26 -5.12 114.28 116.86 2gcf n THR 52 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 2gcf n THR 52 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 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 0.00 4.43 0.18 -2.82 0.04 -1.26 -4.91 135.00 130.66 2gcf s PRO 53 Ca 0.00 1.54 0.14 0.00 0.04 0.00 0.00 61.00 62.73 2gcf s PRO 53 Cb 0.00 -3.51 0.73 0.00 0.04 0.00 0.00 34.50 31.76 2gcf s PRO 53 CO 0.00 -0.30 1.44 0.94 0.04 0.00 0.00 177.00 179.12 2gcf n GLN 54 N 4.72 0.09 0.21 4.56 7.27 -1.26 -1.49 117.38 131.48 2gcf n GLN 54 Ca 0.09 0.53 0.04 0.00 0.07 0.00 0.00 57.00 57.73 2gcf n GLN 54 Cb 0.48 -1.76 0.24 0.00 2.41 0.00 0.00 30.24 31.60 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 0.00 -1.07 1.69 1.08 -1.99 -1.30 117.51 115.92 2gcf h ILE 55 Ca 0.00 0.00 0.29 0.00 -0.39 0.00 0.00 64.86 64.76 2gcf h ILE 55 Cb 0.07 0.19 -0.07 0.00 -3.07 0.00 0.00 36.82 33.95 2gcf h ILE 55 CO 0.00 0.00 0.73 0.17 -0.69 0.00 0.00 178.15 178.36 2gcf h LEU 56 N 0.00 0.22 0.05 1.44 8.10 -1.62 -1.36 115.31 122.13 2gcf h LEU 56 Ca 0.00 0.04 -0.37 0.00 0.11 0.00 0.00 57.88 57.66 2gcf h LEU 56 Cb 1.13 0.01 -0.04 0.00 -0.44 0.00 0.00 40.66 41.32 2gcf h LEU 56 CO 0.00 0.04 -2.15 0.41 -4.11 0.00 0.00 178.44 172.63 2gcf n THR 57 N -4.41 1.62 -0.27 0.15 -1.04 -0.49 -4.40 114.28 105.44 2gcf n THR 57 Ca 0.24 -0.51 0.08 0.00 -2.04 0.00 0.00 64.05 61.82 2gcf n THR 57 Cb 1.02 -1.68 0.20 0.00 -1.82 0.00 0.00 70.33 68.06 2gcf n THR 57 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2gcf h ASP 58 N -0.22 -0.16 0.37 8.00 1.82 -1.57 0.24 116.42 124.90 2gcf h ASP 58 Ca -0.51 0.19 0.00 0.00 -0.39 0.00 0.00 57.03 56.32 2gcf h ASP 58 Cb 1.85 0.29 0.00 0.00 0.68 0.00 0.00 39.33 42.14 2gcf h ASP 58 CO -0.08 -0.14 0.00 0.00 -1.61 0.00 0.00 179.24 177.41 2gcf n ALA 59 N -2.81 1.55 -0.02 -0.78 0.00 -0.54 -1.63 120.51 116.28 2gcf n ALA 59 Ca 0.16 -0.04 -0.14 0.00 0.00 0.00 0.00 53.44 53.42 2gcf n ALA 59 Cb 0.54 -1.19 -0.14 0.00 0.00 0.00 0.00 19.45 18.66 2gcf n ALA 59 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2gcf n VAL 60 N -1.48 1.67 0.18 0.00 3.14 0.78 -4.26 118.33 118.36 2gcf n VAL 60 Ca 0.03 -0.73 0.03 0.00 -2.96 0.00 0.00 64.34 60.71 2gcf n VAL 60 Cb 0.13 -1.31 0.31 0.00 -1.06 0.00 0.00 33.84 31.91 2gcf n VAL 60 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 2gcf h GLU 61 N 0.03 0.00 -0.11 1.45 4.57 -0.78 -2.62 114.58 117.13 2gcf h GLU 61 Ca -0.36 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 57.85 2gcf h GLU 61 Cb 2.03 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.62 2gcf h GLU 61 CO 0.08 0.44 0.47 0.07 -1.18 0.00 0.00 179.01 178.88 2gcf h ARG 62 N 0.00 0.00 -0.02 1.92 -0.00 -1.53 0.78 114.38 115.53 2gcf h ARG 62 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2gcf h ARG 62 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.83 2gcf h ARG 62 CO 0.06 0.00 -0.30 0.00 -0.00 0.00 0.00 179.97 179.73 2gcf n ALA 63 N -1.93 3.16 -0.47 0.08 0.00 -1.02 -4.94 120.51 115.39 2gcf n ALA 63 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.86 2gcf n ALA 63 Cb 0.54 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 1.37 0.75 3.66 0.00 0.00 0.27 -4.82 105.19 106.41 2gcf n GLY 64 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.51 2.62 0.44 1.61 2.02 -1.03 -4.83 117.35 115.67 2gcf s TYR 65 Ca 0.00 -0.37 0.04 0.00 -0.37 0.00 0.00 57.07 56.37 2gcf s TYR 65 Cb 0.00 -1.45 -0.02 0.00 -0.40 0.00 0.00 41.96 40.09 2gcf s TYR 65 CO 0.00 0.48 0.13 -1.01 -1.57 0.00 0.00 175.55 173.57 2gcf s HIS 66 N -2.45 1.78 -0.24 2.71 3.76 -0.40 -2.67 115.29 117.79 2gcf s HIS 66 Ca 0.35 -1.29 -0.08 0.00 -0.15 0.00 0.00 55.06 53.88 2gcf s HIS 66 Cb -0.02 -1.20 -0.04 0.00 1.11 0.00 0.00 32.58 32.43 2gcf s HIS 66 CO 0.20 -0.28 0.10 0.00 -0.85 0.00 0.00 174.74 173.92 2gcf s ALA 67 N -3.14 3.34 -0.30 -1.40 0.00 -1.26 -0.38 121.76 118.61 2gcf s ALA 67 Ca 0.20 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.13 2gcf s ALA 67 Cb 0.01 -2.14 0.05 0.00 0.00 0.00 0.00 23.12 21.04 2gcf s ALA 67 CO 0.13 -0.30 0.00 -0.98 0.00 0.00 0.00 175.76 174.61 2gcf s ARG 68 N 1.28 2.48 0.28 0.00 1.70 0.07 -4.83 118.95 119.92 2gcf s ARG 68 Ca 0.06 -1.23 -0.30 0.00 -0.47 0.00 0.00 55.73 53.78 2gcf s ARG 68 Cb -0.14 -3.18 -0.10 0.00 -0.57 0.00 0.00 34.95 30.95 2gcf s ARG 68 CO 0.05 -0.60 1.46 0.08 -1.08 0.00 0.00 175.30 175.20 2gcf s VAL 69 N 1.27 2.50 0.35 4.99 1.01 -1.26 -1.21 120.40 128.05 2gcf s VAL 69 Ca -0.05 0.44 -0.05 0.00 0.00 0.00 0.00 61.98 62.32 2gcf s VAL 69 Cb -0.19 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 2gcf s VAL 69 CO -0.01 0.08 0.63 -1.48 0.00 0.00 0.00 175.10 174.32 2gcf s LEU 70 N -0.68 3.93 -0.14 3.92 0.05 -1.26 -4.81 118.68 119.70 2gcf s LEU 70 Ca 0.58 0.77 -0.05 0.00 0.05 0.00 0.00 54.13 55.48 2gcf s LEU 70 Cb -0.43 -3.63 0.06 0.00 -2.05 0.00 0.00 46.19 40.14 2gcf s LEU 70 CO 0.47 -0.32 0.29 -0.54 -0.55 0.00 0.00 176.35 175.70 2gcf s LYS 71 N -3.96 0.19 0.00 1.48 1.02 -1.26 -5.03 119.74 112.18 2gcf s LYS 71 Ca 0.45 0.75 0.00 0.00 0.02 0.00 0.00 55.97 57.19 2gcf s LYS 71 Cb -0.10 -0.00 0.00 0.00 -0.52 0.00 0.00 37.83 37.21 2gcf s LYS 71 CO 0.34 -0.26 0.00 0.94 -0.92 0.00 0.00 175.35 175.45 2gcf n GLN 72 N 5.14 0.00 0.00 1.68 7.27 -1.26 -5.25 117.38 124.96 2gcf n GLN 72 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.97 2gcf n GLN 72 Cb 0.50 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.15 2gcf n GLN 72 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17