#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 1.19 -1.59 3.04 0.00 -1.26 -3.75 120.51 118.15 2gcf n ALA 2 Ca 0.00 0.16 -0.41 0.00 0.00 0.00 0.00 53.44 53.19 2gcf n ALA 2 Cb 0.00 -1.32 -0.01 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.21 3.29 -4.29 0.00 0.00 -1.26 -4.89 117.38 108.02 2gcf n GLN 3 Ca -0.00 -2.49 -0.27 0.00 0.00 0.00 0.00 57.00 54.23 2gcf n GLN 3 Cb 0.08 -3.05 -0.10 0.00 0.00 0.00 0.00 30.24 27.17 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 2.54 3.17 -0.02 -0.39 -1.32 -1.25 -4.29 115.64 114.08 2gcf s THR 4 Ca 0.56 -1.60 0.07 0.00 -1.21 0.00 0.00 61.69 59.52 2gcf s THR 4 Cb 0.16 -2.55 -0.02 0.00 -1.51 0.00 0.00 72.50 68.58 2gcf s THR 4 CO -0.07 -0.06 -0.23 -0.63 -2.21 0.00 0.00 174.62 171.41 2gcf s ILE 5 N -1.59 1.85 -0.15 5.08 -1.09 -0.19 -4.95 121.20 120.16 2gcf s ILE 5 Ca 0.24 -1.00 0.01 0.00 -2.23 0.00 0.00 60.65 57.67 2gcf s ILE 5 Cb -0.09 -1.53 0.02 0.00 -1.58 0.00 0.00 42.46 39.27 2gcf s ILE 5 CO 0.14 0.52 -0.17 0.54 -1.23 0.00 0.00 174.94 174.75 2gcf s ASN 6 N -0.54 2.83 0.16 3.58 4.22 -1.26 -1.51 114.94 122.42 2gcf s ASN 6 Ca 0.09 -0.54 -0.04 0.00 -2.14 0.00 0.00 52.86 50.23 2gcf s ASN 6 Cb -0.09 -1.28 -0.03 0.00 1.28 0.00 0.00 41.25 41.13 2gcf s ASN 6 CO -0.01 -0.02 0.16 -1.48 -2.04 0.00 0.00 177.10 173.71 2gcf s LEU 7 N 1.34 1.33 0.72 3.54 2.34 -0.66 -4.82 118.68 122.47 2gcf s LEU 7 Ca 0.03 -1.13 -0.03 0.00 0.06 0.00 0.00 54.13 53.07 2gcf s LEU 7 Cb -0.13 0.67 0.11 0.00 -0.56 0.00 0.00 46.19 46.28 2gcf s LEU 7 CO -0.10 -0.82 0.99 -1.10 -1.06 0.00 0.00 176.35 174.26 2gcf s GLN 8 N -4.04 1.77 -0.19 1.48 -0.21 -0.05 -0.43 119.66 117.98 2gcf s GLN 8 Ca 0.25 -0.88 -0.05 0.00 0.02 0.00 0.00 55.36 54.70 2gcf s GLN 8 Cb 0.06 -2.29 0.07 0.00 1.00 0.00 0.00 33.01 31.85 2gcf s GLN 8 CO 0.04 -1.40 0.12 -1.17 -2.12 0.00 0.00 175.29 170.75 2gcf s LEU 9 N -5.17 0.27 0.79 2.90 2.96 -0.14 -0.71 118.68 119.58 2gcf s LEU 9 Ca 0.65 -0.62 -0.12 0.00 -0.22 0.00 0.00 54.13 53.82 2gcf s LEU 9 Cb -0.07 -0.13 0.07 0.00 0.50 0.00 0.00 46.19 46.56 2gcf s LEU 9 CO 0.44 -0.36 1.16 -1.61 -1.32 0.00 0.00 176.35 174.66 2gcf s GLU 10 N 2.17 2.14 0.00 1.98 2.02 0.83 -4.20 118.70 123.64 2gcf s GLU 10 Ca 0.04 0.21 0.00 0.00 0.02 0.00 0.00 54.97 55.23 2gcf s GLU 10 Cb -0.16 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 32.11 2gcf s GLU 10 CO -0.13 -1.49 0.00 0.41 0.02 0.00 0.00 175.26 174.07 2gcf n GLY 11 N -3.19 2.26 3.51 -1.39 0.00 -1.26 -0.69 105.19 104.44 2gcf n GLY 11 Ca 0.08 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.82 0.84 0.07 1.61 0.00 -1.26 -4.82 117.12 111.74 2gcf n MET 12 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 57.70 57.99 2gcf n MET 12 Cb 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 33.22 31.67 2gcf n MET 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2gcf n ARG 13 N 0.78 0.00 0.00 3.17 1.74 -1.26 -5.15 116.66 115.94 2gcf n ARG 13 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 2gcf n ARG 13 Cb 0.31 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.75 2gcf n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2gcf n ALA 15 N -3.00 0.00 0.00 0.00 0.00 -1.26 -3.82 120.51 112.44 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 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.19 0.00 -0.29 0.00 0.00 -1.26 -5.03 120.51 114.12 2gcf n ALA 16 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2gcf n ALA 16 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.71 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 1.71 -1.11 0.00 0.00 0.00 -1.89 -2.45 119.26 115.52 2gcf h ALA 18 Ca 0.53 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2gcf h ALA 18 Cb 1.10 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2gcf h ALA 18 CO -0.80 -1.03 0.00 1.03 0.00 0.00 0.00 179.25 178.45 2gcf h SER 19 N -1.19 0.00 0.00 0.00 0.87 -1.93 -0.25 113.55 111.04 2gcf h SER 19 Ca -0.11 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2gcf h SER 19 Cb 0.79 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.75 2gcf h SER 19 CO 0.17 0.00 -0.00 0.28 -0.53 0.00 0.00 176.83 176.75 2gcf h SER 20 N 0.00 0.00 0.81 6.23 0.02 -0.99 -0.47 113.55 119.14 2gcf h SER 20 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2gcf h SER 20 Cb 0.39 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.94 2gcf h SER 20 CO 0.00 0.00 -0.39 0.40 -1.14 0.00 0.00 176.83 175.71 2gcf h ILE 21 N 0.00 0.14 -1.00 3.27 2.04 -0.57 -2.61 117.51 118.77 2gcf h ILE 21 Ca -0.00 -0.11 0.15 0.00 1.00 0.00 0.00 64.86 65.90 2gcf h ILE 21 Cb 0.00 0.15 -0.09 0.00 -0.74 0.00 0.00 36.82 36.14 2gcf h ILE 21 CO 0.00 0.01 0.62 -0.33 0.00 0.00 0.00 178.15 178.45 2gcf h GLU 22 N -1.18 0.87 -0.21 2.37 5.08 -1.51 0.22 114.58 120.22 2gcf h GLU 22 Ca -0.11 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 2gcf h GLU 22 Cb 0.84 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2gcf h GLU 22 CO 0.18 0.57 -0.08 -0.09 -1.00 0.00 0.00 179.01 178.59 2gcf h ARG 23 N 0.89 0.32 0.18 2.33 9.65 -1.09 0.10 114.38 126.76 2gcf h ARG 23 Ca 0.53 -0.07 -0.29 0.00 -1.10 0.00 0.00 59.98 59.06 2gcf h ARG 23 Cb 0.67 -0.05 0.03 0.00 -1.39 0.00 0.00 29.97 29.23 2gcf h ARG 23 CO -0.32 0.42 -1.23 0.00 2.80 0.00 0.00 179.97 181.65 2gcf h ALA 24 N 1.61 -0.09 -0.12 2.80 0.00 -0.63 -3.32 119.26 119.50 2gcf h ALA 24 Ca 0.06 -0.78 -0.05 0.00 0.00 0.00 0.00 54.91 54.14 2gcf h ALA 24 Cb 0.35 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2gcf h ALA 24 CO 0.02 0.60 -0.15 0.82 0.00 0.00 0.00 179.25 180.54 2gcf h ILE 25 N 0.07 1.17 0.00 0.00 2.04 -0.85 -1.81 117.51 118.13 2gcf h ILE 25 Ca -0.20 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 64.88 2gcf h ILE 25 Cb 1.94 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 2gcf h ILE 25 CO 0.23 0.24 0.09 0.00 0.00 0.00 0.00 178.15 178.71 2gcf n ALA 26 N -2.49 0.83 0.45 1.87 0.00 0.34 -0.14 120.51 121.37 2gcf n ALA 26 Ca -0.01 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.57 2gcf n ALA 26 Cb 0.27 -0.86 0.08 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.51 0.37 -2.45 0.00 4.76 -0.68 -4.97 118.16 113.69 2gcf n LYS 27 Ca -0.00 0.06 -0.42 0.00 -2.87 0.00 0.00 58.31 55.08 2gcf n LYS 27 Cb 0.09 -1.69 -0.03 0.00 -1.84 0.00 0.00 35.03 31.57 2gcf n LYS 27 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2gcf s VAL 28 N -3.23 4.18 0.46 -0.18 1.01 0.81 -4.93 120.40 118.51 2gcf s VAL 28 Ca 0.04 1.55 0.30 0.00 0.00 0.00 0.00 61.98 63.86 2gcf s VAL 28 Cb 0.13 -3.99 0.33 0.00 0.00 0.00 0.00 36.38 32.85 2gcf s VAL 28 CO 0.76 0.07 2.14 1.55 0.00 0.00 0.00 175.10 179.62 2gcf h PRO 29 N 7.09 0.00 -0.03 2.72 0.13 -1.89 -0.89 132.00 139.13 2gcf h PRO 29 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2gcf h PRO 29 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2gcf h PRO 29 CO 0.84 0.07 0.00 0.41 -0.23 0.00 0.00 178.00 179.09 2gcf n GLY 30 N -0.81 -0.43 3.70 1.56 0.00 -1.26 -4.93 105.19 103.01 2gcf n GLY 30 Ca -0.02 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.97 2.57 0.00 1.61 0.11 -0.34 -2.75 120.40 119.64 2gcf s VAL 31 Ca 0.39 0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.60 2gcf s VAL 31 Cb 0.20 -3.10 0.00 0.00 -1.53 0.00 0.00 36.38 31.95 2gcf s VAL 31 CO 0.32 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.09 2gcf n GLN 32 N 5.34 2.02 -3.64 1.54 -0.00 0.04 -4.94 117.38 117.73 2gcf n GLN 32 Ca 0.17 0.00 -0.07 0.00 -0.00 0.00 0.00 57.00 57.10 2gcf n GLN 32 Cb 0.38 -0.19 -0.07 0.00 -0.00 0.00 0.00 30.24 30.36 2gcf n GLN 32 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2gcf s SER 33 N -0.21 -0.39 -0.07 2.61 0.01 -1.23 -4.97 113.70 109.45 2gcf s SER 33 Ca 0.00 0.73 -0.02 0.00 1.31 0.00 0.00 55.95 57.97 2gcf s SER 33 Cb 0.00 0.82 0.03 0.00 0.21 0.00 0.00 66.02 67.08 2gcf s SER 33 CO 0.00 -0.12 0.03 0.00 0.41 0.00 0.00 173.24 173.56 2gcf s GLN 35 N 2.06 0.22 -0.09 0.00 1.11 -0.76 -5.04 119.66 117.16 2gcf s GLN 35 Ca 0.05 0.82 0.00 0.00 0.01 0.00 0.00 55.36 56.24 2gcf s GLN 35 Cb -0.12 0.02 -0.03 0.00 -1.01 0.00 0.00 33.01 31.87 2gcf s GLN 35 CO -0.05 -0.31 -0.09 0.54 0.01 0.00 0.00 175.29 175.40 2gcf s VAL 36 N 2.49 3.51 -0.51 1.09 0.11 -1.26 -0.58 120.40 125.25 2gcf s VAL 36 Ca 0.01 -0.53 -0.08 0.00 -2.93 0.00 0.00 61.98 58.45 2gcf s VAL 36 Cb -0.12 -2.45 0.13 0.00 -1.53 0.00 0.00 36.38 32.40 2gcf s VAL 36 CO -0.11 0.56 0.37 0.21 -3.33 0.00 0.00 175.10 172.81 2gcf s ASN 37 N -0.34 5.67 0.00 3.54 3.84 0.41 -4.99 114.94 123.07 2gcf s ASN 37 Ca 0.04 -2.09 -0.02 0.00 0.21 0.00 0.00 52.86 51.00 2gcf s ASN 37 Cb -0.12 -1.99 -0.11 0.00 -0.55 0.00 0.00 41.25 38.48 2gcf s ASN 37 CO 0.02 -0.63 2.61 0.33 -2.79 0.00 0.00 177.10 176.64 2gcf n PHE 38 N 4.64 0.00 0.00 0.43 7.35 -1.26 -2.12 117.46 126.50 2gcf n PHE 38 Ca -0.04 -1.17 0.00 0.00 -0.76 0.00 0.00 57.45 55.48 2gcf n PHE 38 Cb 0.41 -0.95 0.00 0.00 0.35 0.00 0.00 39.48 39.29 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 1.95 0.38 -1.71 3.13 0.00 -1.26 -4.94 120.51 118.06 2gcf n ALA 39 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.68 2gcf n ALA 39 Cb 0.66 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.22 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 -0.53 1.80 0.00 0.00 7.94 -1.14 -5.03 117.00 120.04 2gcf n LEU 40 Ca 0.00 -2.80 0.00 0.00 -1.11 0.00 0.00 56.01 52.10 2gcf n LEU 40 Cb 0.00 -0.30 0.00 0.00 0.53 0.00 0.00 43.42 43.65 2gcf n LEU 40 CO 0.00 0.83 0.00 -0.62 -1.11 0.00 0.00 177.39 176.49 2gcf n GLU 41 N -0.69 0.00 -2.35 1.96 1.02 -0.90 -4.95 120.64 114.73 2gcf n GLU 41 Ca 0.12 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.91 2gcf n GLU 41 Cb 0.77 -3.46 -0.01 0.00 -0.02 0.00 0.00 31.44 28.73 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 3.61 -0.04 3.49 0.00 -1.25 -0.97 119.66 124.50 2gcf s GLN 42 Ca 0.00 1.58 0.07 0.00 -0.00 0.00 0.00 55.36 57.01 2gcf s GLN 42 Cb 0.00 -2.15 -0.01 0.00 0.00 0.00 0.00 33.01 30.84 2gcf s GLN 42 CO 0.00 -0.63 -0.25 0.00 0.00 0.00 0.00 175.29 174.41 2gcf s ALA 43 N -1.76 2.08 -0.12 2.60 0.00 0.42 -0.44 121.76 124.54 2gcf s ALA 43 Ca 0.68 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 51.62 2gcf s ALA 43 Cb -0.23 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.32 2gcf s ALA 43 CO 0.27 0.46 -0.19 0.54 0.00 0.00 0.00 175.76 176.84 2gcf s VAL 44 N -0.38 1.76 -0.17 0.00 0.11 0.25 -1.65 120.40 120.33 2gcf s VAL 44 Ca 0.03 -0.81 -0.14 0.00 -2.93 0.00 0.00 61.98 58.14 2gcf s VAL 44 Cb -0.11 -1.57 0.05 0.00 -1.53 0.00 0.00 36.38 33.21 2gcf s VAL 44 CO 0.01 0.49 0.43 -0.69 -3.33 0.00 0.00 175.10 172.02 2gcf s VAL 45 N 0.81 -0.00 -0.23 2.04 1.01 -0.57 -1.83 120.40 121.64 2gcf s VAL 45 Ca -0.09 0.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 2gcf s VAL 45 Cb -0.16 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 2gcf s VAL 45 CO 0.00 0.01 0.01 -0.55 0.00 0.00 0.00 175.10 174.57 2gcf s SER 46 N 0.43 4.76 -0.30 3.32 0.15 -1.13 -1.02 113.70 119.91 2gcf s SER 46 Ca -0.02 -0.27 0.18 0.00 0.70 0.00 0.00 55.95 56.54 2gcf s SER 46 Cb -0.04 -1.84 0.46 0.00 -1.71 0.00 0.00 66.02 62.90 2gcf s SER 46 CO -0.02 -0.01 1.24 0.00 1.20 0.00 0.00 173.24 175.65 2gcf n TYR 47 N 4.74 -0.02 -3.92 3.44 4.11 -1.23 -0.78 117.16 123.49 2gcf n TYR 47 Ca -0.17 -2.09 -0.17 0.00 -0.00 0.00 0.00 57.90 55.48 2gcf n TYR 47 Cb 0.51 0.42 -0.16 0.00 -0.00 0.00 0.00 39.34 40.11 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 -2.25 0.29 -0.47 -3.48 3.76 -1.11 -4.42 115.29 107.61 2gcf s HIS 48 Ca 0.21 0.01 0.06 0.00 -0.15 0.00 0.00 55.06 55.19 2gcf s HIS 48 Cb 0.38 -0.38 0.24 0.00 1.11 0.00 0.00 32.58 33.93 2gcf s HIS 48 CO -0.06 -0.12 0.80 0.41 -0.85 0.00 0.00 174.74 174.92 2gcf n GLY 49 N 4.07 0.53 4.28 -2.22 0.00 -1.26 -4.70 105.19 105.89 2gcf n GLY 49 Ca -0.26 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2gcf n GLY 49 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2gcf n GLU 50 N 1.75 0.00 -1.61 1.61 2.13 -1.26 -4.91 120.64 118.34 2gcf n GLU 50 Ca 0.12 0.00 -0.63 0.00 0.66 0.00 0.00 57.16 57.32 2gcf n GLU 50 Cb 0.60 -0.11 -0.09 0.00 0.27 0.00 0.00 31.44 32.11 2gcf n GLU 50 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2gcf n THR 51 N 0.00 0.00 -1.01 6.31 -2.24 -1.26 -4.62 114.28 111.46 2gcf n THR 51 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 2gcf n THR 51 Cb 0.00 -0.37 -0.12 0.00 -2.10 0.00 0.00 70.33 67.74 2gcf n THR 51 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2gcf n THR 52 N 3.27 0.00 1.25 4.28 -1.04 -1.26 -4.80 114.28 115.98 2gcf n THR 52 Ca 0.27 -0.10 0.05 0.00 -2.04 0.00 0.00 64.05 62.23 2gcf n THR 52 Cb -0.03 -0.24 0.32 0.00 -1.82 0.00 0.00 70.33 68.56 2gcf n THR 52 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2gcf n PRO 53 N 5.13 0.62 0.03 -2.82 -0.04 -1.26 -1.98 135.00 134.68 2gcf n PRO 53 Ca 0.45 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.93 2gcf n PRO 53 Cb 0.04 -1.27 0.38 0.00 -0.04 0.00 0.00 33.50 32.62 2gcf n PRO 53 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2gcf h GLN 54 N 0.00 0.47 0.00 0.54 4.20 -2.00 -2.92 115.11 115.40 2gcf h GLN 54 Ca 0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2gcf h GLN 54 Cb 0.00 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.69 2gcf h GLN 54 CO 0.00 0.41 0.00 -0.89 -0.67 0.00 0.00 178.83 177.68 2gcf n ILE 55 N -4.38 1.33 -0.07 2.54 5.41 -0.84 -1.49 119.36 121.87 2gcf n ILE 55 Ca 0.02 0.61 0.10 0.00 1.00 0.00 0.00 62.75 64.48 2gcf n ILE 55 Cb 0.16 -1.59 0.48 0.00 -0.71 0.00 0.00 39.64 37.98 2gcf n ILE 55 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 176.55 176.72 2gcf h LEU 56 N 0.00 0.40 0.09 1.39 8.10 -1.76 -3.14 115.31 120.39 2gcf h LEU 56 Ca 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.87 2gcf h LEU 56 Cb 0.04 -0.08 0.01 0.00 -0.44 0.00 0.00 40.66 40.19 2gcf h LEU 56 CO 0.00 0.25 -0.54 0.71 -4.11 0.00 0.00 178.44 174.75 2gcf h THR 57 N 0.45 1.60 -1.15 0.15 1.35 -1.51 -3.34 112.91 110.46 2gcf h THR 57 Ca 0.25 -2.47 0.37 0.00 -0.55 0.00 0.00 66.41 64.02 2gcf h THR 57 Cb 0.42 3.26 -0.13 0.00 -1.73 0.00 0.00 68.15 69.96 2gcf h THR 57 CO -0.07 0.68 0.71 0.44 -0.25 0.00 0.00 175.52 177.03 2gcf h ASP 58 N -0.60 0.36 1.52 5.36 5.19 -1.68 0.14 116.42 126.71 2gcf h ASP 58 Ca -0.10 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 2gcf h ASP 58 Cb 1.41 0.12 0.00 0.00 0.18 0.00 0.00 39.33 41.04 2gcf h ASP 58 CO 0.09 -0.15 0.00 0.00 -3.12 0.00 0.00 179.24 176.07 2gcf h ALA 59 N 1.71 1.00 0.20 3.45 0.00 -1.68 -1.25 119.26 122.69 2gcf h ALA 59 Ca 0.76 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 55.40 2gcf h ALA 59 Cb 2.11 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.93 2gcf h ALA 59 CO -0.48 0.00 -1.19 -0.39 0.00 0.00 0.00 179.25 177.19 2gcf h VAL 60 N 0.00 1.38 -0.42 0.00 -1.51 -0.89 -3.37 116.25 111.43 2gcf h VAL 60 Ca 0.00 -2.60 -0.01 0.00 -1.23 0.00 0.00 66.70 62.85 2gcf h VAL 60 Cb 0.76 3.07 -0.02 0.00 -2.13 0.00 0.00 31.29 32.97 2gcf h VAL 60 CO 0.00 0.76 0.20 -0.33 -1.23 0.00 0.00 177.57 176.98 2gcf h GLU 61 N -0.05 0.59 -1.85 5.19 4.39 -1.23 -0.84 114.58 120.77 2gcf h GLU 61 Ca -0.20 -0.06 0.54 0.00 0.34 0.00 0.00 59.36 59.97 2gcf h GLU 61 Cb 1.93 -0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 30.39 2gcf h GLU 61 CO 0.22 0.46 1.37 -0.09 -1.16 0.00 0.00 179.01 179.82 2gcf h ARG 62 N 0.59 0.00 -0.00 2.33 1.12 -1.39 -0.74 114.38 116.29 2gcf h ARG 62 Ca 0.15 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.02 2gcf h ARG 62 Cb 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.02 2gcf h ARG 62 CO -0.02 0.00 -0.81 0.00 -3.11 0.00 0.00 179.97 176.03 2gcf n ALA 63 N -2.86 4.29 -0.46 2.80 0.00 -0.33 -4.97 120.51 118.98 2gcf n ALA 63 Ca 0.42 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2gcf n ALA 63 Cb 1.93 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 20.70 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 1.42 1.02 3.72 0.00 0.00 -0.28 -4.80 105.19 106.27 2gcf n GLY 64 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.06 3.17 0.13 1.61 2.02 -1.19 -4.81 117.35 115.22 2gcf s TYR 65 Ca 0.00 0.15 0.06 0.00 -0.37 0.00 0.00 57.07 56.90 2gcf s TYR 65 Cb 0.00 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 39.81 2gcf s TYR 65 CO 0.00 0.50 0.02 -1.01 -1.57 0.00 0.00 175.55 173.49 2gcf s HIS 66 N -1.10 2.96 -0.11 2.71 3.76 0.13 -3.09 115.29 120.54 2gcf s HIS 66 Ca 0.20 -0.06 -0.25 0.00 -0.15 0.00 0.00 55.06 54.79 2gcf s HIS 66 Cb -0.12 -1.48 -0.02 0.00 1.11 0.00 0.00 32.58 32.07 2gcf s HIS 66 CO 0.11 0.50 0.82 0.00 -0.85 0.00 0.00 174.74 175.31 2gcf s ALA 67 N -1.50 3.41 -0.16 -1.40 0.00 -1.26 -0.12 121.76 120.72 2gcf s ALA 67 Ca 0.27 0.14 -0.04 0.00 0.00 0.00 0.00 51.96 52.33 2gcf s ALA 67 Cb -0.11 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 2gcf s ALA 67 CO 0.19 -0.43 -0.04 0.50 0.00 0.00 0.00 175.76 175.98 2gcf s ARG 68 N 1.59 3.64 0.02 0.00 6.06 0.12 -4.81 118.95 125.56 2gcf s ARG 68 Ca 0.40 -0.53 -0.30 0.00 -2.50 0.00 0.00 55.73 52.79 2gcf s ARG 68 Cb -0.18 -2.92 -0.06 0.00 0.06 0.00 0.00 34.95 31.86 2gcf s ARG 68 CO 0.16 0.20 1.43 0.14 -2.50 0.00 0.00 175.30 174.73 2gcf s VAL 69 N 0.47 3.61 0.17 7.11 -7.23 -1.26 -0.87 120.40 122.39 2gcf s VAL 69 Ca -0.04 1.02 0.03 0.00 -1.81 0.00 0.00 61.98 61.19 2gcf s VAL 69 Cb -0.14 -3.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.11 2gcf s VAL 69 CO 0.03 0.00 0.26 -1.48 -0.31 0.00 0.00 175.10 173.60 2gcf s LEU 70 N 2.32 4.22 -0.28 1.32 0.05 -1.26 -4.84 118.68 120.21 2gcf s LEU 70 Ca 0.65 0.09 -0.24 0.00 0.05 0.00 0.00 54.13 54.68 2gcf s LEU 70 Cb -0.33 -2.79 0.11 0.00 -2.05 0.00 0.00 46.19 41.14 2gcf s LEU 70 CO 0.27 0.04 0.96 -0.75 -0.55 0.00 0.00 176.35 176.32 2gcf s LYS 71 N -3.32 0.56 0.00 1.48 2.47 -1.26 -5.04 119.74 114.62 2gcf s LYS 71 Ca 0.34 0.69 -0.15 0.00 -1.56 0.00 0.00 55.97 55.29 2gcf s LYS 71 Cb -0.10 0.25 0.02 0.00 -1.46 0.00 0.00 37.83 36.54 2gcf s LYS 71 CO 0.27 -0.07 0.33 -1.14 0.16 0.00 0.00 175.35 174.90 2gcf s GLN 72 N 0.41 0.73 0.00 4.03 0.74 -1.26 -5.26 119.66 119.05 2gcf s GLN 72 Ca 0.01 -0.26 0.00 0.00 0.05 0.00 0.00 55.36 55.16 2gcf s GLN 72 Cb -0.05 0.32 0.00 0.00 1.10 0.00 0.00 33.01 34.39 2gcf s GLN 72 CO -0.06 -0.22 0.00 1.04 -0.55 0.00 0.00 175.29 175.50