#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 -1.74 -1.01 3.17 0.00 -1.26 -4.49 120.51 115.19 2gcf n ALA 2 Ca 0.00 0.22 -0.12 0.00 0.00 0.00 0.00 53.44 53.53 2gcf n ALA 2 Cb 0.00 -0.61 -0.16 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.56 1.99 -3.52 0.00 0.00 -1.26 -4.91 117.38 107.13 2gcf n GLN 3 Ca 0.00 -1.03 -0.37 0.00 0.00 0.00 0.00 57.00 55.61 2gcf n GLN 3 Cb 0.31 -1.98 -0.07 0.00 0.00 0.00 0.00 30.24 28.49 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 0.85 5.29 -0.16 -0.39 -1.32 -1.26 -4.28 115.64 114.36 2gcf s THR 4 Ca 0.65 0.54 -0.13 0.00 -1.21 0.00 0.00 61.69 61.54 2gcf s THR 4 Cb 0.32 -3.64 -0.05 0.00 -1.51 0.00 0.00 72.50 67.62 2gcf s THR 4 CO -0.01 0.35 0.26 -0.63 -2.21 0.00 0.00 174.62 172.39 2gcf s ILE 5 N 0.72 5.32 -0.01 5.08 1.09 -0.25 -4.89 121.20 128.27 2gcf s ILE 5 Ca 0.16 0.48 0.08 0.00 -1.10 0.00 0.00 60.65 60.27 2gcf s ILE 5 Cb -0.13 -3.60 -0.02 0.00 -1.06 0.00 0.00 42.46 37.65 2gcf s ILE 5 CO 0.05 0.41 -0.26 0.54 -0.10 0.00 0.00 174.94 175.58 2gcf s ASN 6 N 0.37 3.06 0.13 3.58 2.20 -1.26 -1.01 114.94 122.00 2gcf s ASN 6 Ca 0.15 -0.49 -0.24 0.00 -0.94 0.00 0.00 52.86 51.34 2gcf s ASN 6 Cb -0.13 -0.33 0.08 0.00 -2.00 0.00 0.00 41.25 38.87 2gcf s ASN 6 CO 0.03 0.31 1.10 -1.48 -2.94 0.00 0.00 177.10 174.12 2gcf s LEU 7 N -0.70 -0.03 0.31 3.54 2.34 -0.80 -4.87 118.68 118.48 2gcf s LEU 7 Ca 0.10 -0.50 0.04 0.00 0.06 0.00 0.00 54.13 53.83 2gcf s LEU 7 Cb -0.10 1.89 -0.02 0.00 -0.56 0.00 0.00 46.19 47.40 2gcf s LEU 7 CO -0.01 -0.79 0.46 -1.10 -1.06 0.00 0.00 176.35 173.85 2gcf s GLN 8 N -2.33 3.35 -0.22 1.48 -0.21 -0.08 -0.82 119.66 120.83 2gcf s GLN 8 Ca 0.21 -0.67 -0.03 0.00 0.02 0.00 0.00 55.36 54.89 2gcf s GLN 8 Cb -0.01 -2.79 0.07 0.00 1.00 0.00 0.00 33.01 31.28 2gcf s GLN 8 CO 0.03 0.22 0.07 -1.17 -2.12 0.00 0.00 175.29 172.31 2gcf s LEU 9 N -4.16 1.15 0.07 2.90 0.20 0.14 -0.29 118.68 118.68 2gcf s LEU 9 Ca 0.39 -1.00 0.02 0.00 0.69 0.00 0.00 54.13 54.23 2gcf s LEU 9 Cb -0.09 -0.55 -0.04 0.00 -0.43 0.00 0.00 46.19 45.07 2gcf s LEU 9 CO 0.32 -0.35 0.12 -1.61 -0.29 0.00 0.00 176.35 174.54 2gcf s GLU 10 N 1.89 3.05 0.00 1.98 2.02 0.61 -4.17 118.70 124.09 2gcf s GLU 10 Ca 0.03 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.40 2gcf s GLU 10 Cb -0.17 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.24 2gcf s GLU 10 CO -0.15 0.58 0.00 0.41 0.02 0.00 0.00 175.26 176.12 2gcf n GLY 11 N 0.41 3.28 0.14 -1.39 0.00 -1.26 -1.14 105.19 105.22 2gcf n GLY 11 Ca -0.07 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.04 2gcf n GLY 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2gcf n MET 12 N -2.00 -0.03 -0.43 1.61 2.81 -1.26 -1.57 117.12 116.25 2gcf n MET 12 Ca 0.00 0.60 0.36 0.00 -1.81 0.00 0.00 57.70 56.85 2gcf n MET 12 Cb 0.00 -1.01 0.56 0.00 -0.71 0.00 0.00 33.22 32.06 2gcf n MET 12 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2gcf n ARG 13 N -4.19 0.00 0.05 0.03 3.00 -1.26 -0.79 116.66 113.50 2gcf n ARG 13 Ca 0.13 0.88 0.12 0.00 -0.01 0.00 0.00 57.85 58.97 2gcf n ARG 13 Cb 0.42 -2.09 0.49 0.00 0.00 0.00 0.00 32.46 31.28 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 -1.63 0.00 0.00 0.00 0.00 0.03 -4.93 120.51 113.98 2gcf n ALA 15 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2gcf n ALA 15 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.13 0.00 0.30 0.00 0.00 -1.26 -4.44 120.51 114.97 2gcf n ALA 16 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2gcf n ALA 16 Cb 0.00 0.00 0.49 0.00 0.00 0.00 0.00 19.45 19.94 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 2.17 -0.42 0.00 0.00 0.00 -1.95 -1.09 119.26 117.98 2gcf h ALA 18 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2gcf h ALA 18 Cb 0.21 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2gcf h ALA 18 CO 0.00 -0.78 0.00 1.03 0.00 0.00 0.00 179.25 179.50 2gcf h SER 19 N -0.45 0.00 1.13 0.00 0.87 -1.98 -1.46 113.55 111.66 2gcf h SER 19 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2gcf h SER 19 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2gcf h SER 19 CO -0.12 0.00 0.00 -1.28 -0.53 0.00 0.00 176.83 174.90 2gcf h SER 20 N 0.00 0.00 0.47 6.23 0.87 -1.45 0.29 113.55 119.95 2gcf h SER 20 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2gcf h SER 20 Cb 0.58 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2gcf h SER 20 CO 0.00 0.00 -0.23 0.40 -0.53 0.00 0.00 176.83 176.47 2gcf h ILE 21 N 0.00 0.00 -0.59 2.23 2.04 -0.17 -3.21 117.51 117.81 2gcf h ILE 21 Ca 0.00 -0.34 0.11 0.00 1.00 0.00 0.00 64.86 65.63 2gcf h ILE 21 Cb 0.56 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.53 2gcf h ILE 21 CO 0.00 0.00 -0.31 -0.33 0.00 0.00 0.00 178.15 177.51 2gcf h GLU 22 N -0.97 -0.14 0.00 2.37 5.08 -1.22 0.21 114.58 119.91 2gcf h GLU 22 Ca -0.06 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2gcf h GLU 22 Cb 0.48 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2gcf h GLU 22 CO 0.11 -0.09 -0.02 -0.09 -1.00 0.00 0.00 179.01 177.91 2gcf h ARG 23 N -0.15 0.00 0.04 2.33 9.65 -1.12 -0.35 114.38 124.78 2gcf h ARG 23 Ca 0.24 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.78 2gcf h ARG 23 Cb 0.54 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.07 2gcf h ARG 23 CO -0.67 0.02 -2.02 0.00 2.80 0.00 0.00 179.97 180.11 2gcf n ALA 24 N -2.12 1.31 -0.27 2.80 0.00 0.03 -4.27 120.51 117.99 2gcf n ALA 24 Ca -0.01 -0.86 -0.05 0.00 0.00 0.00 0.00 53.44 52.51 2gcf n ALA 24 Cb 0.19 -0.58 0.06 0.00 0.00 0.00 0.00 19.45 19.12 2gcf n ALA 24 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2gcf h ILE 25 N 0.02 1.21 0.00 0.00 1.08 -0.24 -2.46 117.51 117.13 2gcf h ILE 25 Ca -0.41 -0.50 0.00 0.00 -0.39 0.00 0.00 64.86 63.56 2gcf h ILE 25 Cb 2.05 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 36.01 2gcf h ILE 25 CO 0.05 0.23 0.00 0.00 -0.69 0.00 0.00 178.15 177.74 2gcf n ALA 26 N -2.34 1.38 0.17 1.87 0.00 -0.18 -0.46 120.51 120.95 2gcf n ALA 26 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.57 2gcf n ALA 26 Cb 0.07 -0.92 -0.09 0.00 0.00 0.00 0.00 19.45 18.51 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 -0.54 1.20 -2.30 0.00 5.02 -0.93 -5.07 118.16 115.54 2gcf n LYS 27 Ca 0.00 -0.08 -0.42 0.00 -2.02 0.00 0.00 58.31 55.79 2gcf n LYS 27 Cb 0.00 -1.22 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 2gcf n LYS 27 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2gcf s VAL 28 N -2.63 3.71 -0.26 -0.18 1.01 0.39 -4.89 120.40 117.55 2gcf s VAL 28 Ca -0.02 1.22 -0.28 0.00 0.00 0.00 0.00 61.98 62.90 2gcf s VAL 28 Cb 0.08 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 2gcf s VAL 28 CO 0.51 0.09 1.99 -2.16 0.00 0.00 0.00 175.10 175.52 2gcf s PRO 29 N 1.20 3.28 0.00 2.72 0.04 -1.26 -1.32 135.00 139.66 2gcf s PRO 29 Ca 0.61 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2gcf s PRO 29 Cb -0.33 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 29.94 2gcf s PRO 29 CO 0.29 -1.93 0.00 0.41 0.04 0.00 0.00 177.00 175.82 2gcf n GLY 30 N 5.53 0.95 3.68 0.56 0.00 -1.25 -1.53 105.19 113.13 2gcf n GLY 30 Ca 0.26 -0.01 -0.53 0.00 0.00 0.00 0.00 46.02 45.74 2gcf n GLY 30 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2gcf n VAL 31 N -2.09 0.31 -0.03 1.61 0.24 -0.43 -2.21 118.33 115.72 2gcf n VAL 31 Ca 0.00 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 2gcf n VAL 31 Cb 0.00 -1.37 0.00 0.00 -1.47 0.00 0.00 33.84 31.00 2gcf n VAL 31 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gcf n GLN 32 N 5.13 4.02 -3.64 7.34 -0.00 0.33 -4.94 117.38 125.62 2gcf n GLN 32 Ca 0.23 -0.14 -0.05 0.00 -0.00 0.00 0.00 57.00 57.04 2gcf n GLN 32 Cb 0.20 -0.60 -0.07 0.00 -0.00 0.00 0.00 30.24 29.77 2gcf n GLN 32 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2gcf s SER 33 N -0.61 -0.27 -0.26 2.61 0.15 -1.23 -4.95 113.70 109.13 2gcf s SER 33 Ca 0.00 0.50 -0.01 0.00 0.70 0.00 0.00 55.95 57.14 2gcf s SER 33 Cb 0.00 0.60 0.14 0.00 -1.71 0.00 0.00 66.02 65.05 2gcf s SER 33 CO 0.00 -0.09 0.37 0.00 1.20 0.00 0.00 173.24 174.72 2gcf s GLN 35 N 2.51 0.56 -0.16 0.00 1.11 -0.69 -5.05 119.66 117.94 2gcf s GLN 35 Ca 0.11 -0.42 -0.14 0.00 0.01 0.00 0.00 55.36 54.93 2gcf s GLN 35 Cb -0.14 0.23 0.04 0.00 -1.01 0.00 0.00 33.01 32.14 2gcf s GLN 35 CO -0.23 -0.14 0.42 0.54 0.01 0.00 0.00 175.29 175.89 2gcf s VAL 36 N -1.63 -0.00 -0.60 1.09 0.11 -1.26 -0.55 120.40 117.55 2gcf s VAL 36 Ca -0.13 0.02 -0.09 0.00 -2.93 0.00 0.00 61.98 58.85 2gcf s VAL 36 Cb -0.06 -0.59 0.15 0.00 -1.53 0.00 0.00 36.38 34.36 2gcf s VAL 36 CO 0.01 0.01 0.48 0.21 -3.33 0.00 0.00 175.10 172.48 2gcf s ASN 37 N 0.46 5.88 -1.37 3.54 3.84 0.08 -4.99 114.94 122.37 2gcf s ASN 37 Ca -0.02 -2.33 -0.10 0.00 0.21 0.00 0.00 52.86 50.62 2gcf s ASN 37 Cb -0.04 -2.03 -0.07 0.00 -0.55 0.00 0.00 41.25 38.56 2gcf s ASN 37 CO -0.02 -0.60 2.58 0.33 -2.79 0.00 0.00 177.10 176.60 2gcf n PHE 38 N 4.35 2.27 0.00 0.43 7.35 -1.26 -1.53 117.46 129.06 2gcf n PHE 38 Ca 0.01 -2.71 0.00 0.00 -0.76 0.00 0.00 57.45 53.99 2gcf n PHE 38 Cb 0.41 -2.24 0.00 0.00 0.35 0.00 0.00 39.48 38.00 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 4.33 0.00 0.60 3.13 0.00 -1.26 -4.96 120.51 122.35 2gcf n ALA 39 Ca 0.64 0.00 0.07 0.00 0.00 0.00 0.00 53.44 54.15 2gcf n ALA 39 Cb 0.24 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.73 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 -1.59 2.03 0.00 0.00 7.94 -1.06 -5.02 117.00 119.29 2gcf n LEU 40 Ca 0.00 -0.95 0.00 0.00 -1.11 0.00 0.00 56.01 53.95 2gcf n LEU 40 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2gcf n LEU 40 CO 0.00 0.37 0.00 -0.62 -1.11 0.00 0.00 177.39 176.03 2gcf n GLU 41 N 0.58 -0.71 -2.60 1.96 1.02 -0.59 -5.00 120.64 115.30 2gcf n GLU 41 Ca 0.08 0.18 -0.37 0.00 -0.02 0.00 0.00 57.16 57.03 2gcf n GLU 41 Cb 0.34 -3.81 -0.05 0.00 -0.02 0.00 0.00 31.44 27.91 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 -0.82 4.31 0.17 3.49 0.00 -1.26 -0.69 119.66 124.86 2gcf s GLN 42 Ca 0.00 1.48 0.11 0.00 -0.00 0.00 0.00 55.36 56.94 2gcf s GLN 42 Cb 0.00 -2.64 -0.04 0.00 0.00 0.00 0.00 33.01 30.33 2gcf s GLN 42 CO 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 175.29 175.07 2gcf s ALA 43 N -1.63 2.60 -0.10 2.60 0.00 0.00 -0.74 121.76 124.48 2gcf s ALA 43 Ca 0.55 -1.55 -0.04 0.00 0.00 0.00 0.00 51.96 50.92 2gcf s ALA 43 Cb -0.21 -0.45 0.05 0.00 0.00 0.00 0.00 23.12 22.51 2gcf s ALA 43 CO 0.27 0.47 0.22 0.54 0.00 0.00 0.00 175.76 177.27 2gcf s VAL 44 N -1.51 -0.21 -0.18 0.00 0.11 0.29 -1.90 120.40 117.00 2gcf s VAL 44 Ca 0.20 0.24 -0.12 0.00 -2.93 0.00 0.00 61.98 59.36 2gcf s VAL 44 Cb -0.09 -0.37 0.06 0.00 -1.53 0.00 0.00 36.38 34.45 2gcf s VAL 44 CO 0.10 0.10 0.46 -0.69 -3.33 0.00 0.00 175.10 171.73 2gcf s VAL 45 N 1.83 -0.01 -0.41 2.04 1.01 -0.18 -1.71 120.40 122.97 2gcf s VAL 45 Ca -0.03 0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.84 2gcf s VAL 45 Cb -0.11 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.62 2gcf s VAL 45 CO -0.08 0.02 0.32 -0.55 0.00 0.00 0.00 175.10 174.81 2gcf s SER 46 N 1.03 6.12 0.00 3.32 0.15 -1.11 -1.09 113.70 122.12 2gcf s SER 46 Ca -0.06 -0.84 0.22 0.00 0.70 0.00 0.00 55.95 55.97 2gcf s SER 46 Cb -0.06 -2.17 -0.10 0.00 -1.71 0.00 0.00 66.02 61.98 2gcf s SER 46 CO -0.09 -0.46 1.01 -1.22 1.20 0.00 0.00 173.24 173.68 2gcf n TYR 47 N 5.23 0.00 -5.09 3.44 4.02 -1.26 -0.51 117.16 122.98 2gcf n TYR 47 Ca -0.10 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.49 2gcf n TYR 47 Cb 0.47 -0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.63 2gcf n TYR 47 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 2gcf s HIS 48 N -2.70 2.23 -0.44 -0.72 3.76 -0.94 -1.76 115.29 114.72 2gcf s HIS 48 Ca 0.14 -0.76 0.05 0.00 -0.15 0.00 0.00 55.06 54.34 2gcf s HIS 48 Cb 0.17 -1.49 0.19 0.00 1.11 0.00 0.00 32.58 32.57 2gcf s HIS 48 CO 0.70 -0.28 0.50 0.41 -0.85 0.00 0.00 174.74 175.22 2gcf n GLY 49 N 3.26 1.42 3.05 -2.22 0.00 -0.58 -4.72 105.19 105.40 2gcf n GLY 49 Ca -0.19 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 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 2.56 -2.20 -3.58 1.61 4.07 -1.26 -4.68 120.64 117.16 2gcf n GLU 50 Ca 0.24 0.77 -0.05 0.00 -0.06 0.00 0.00 57.16 58.05 2gcf n GLU 50 Cb 0.52 -5.33 -0.02 0.00 -0.06 0.00 0.00 31.44 26.55 2gcf n GLU 50 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 2gcf s THR 51 N -3.34 0.00 -0.34 6.31 2.01 -1.26 -5.13 115.64 113.89 2gcf s THR 51 Ca 0.38 -0.11 -0.35 0.00 0.31 0.00 0.00 61.69 61.92 2gcf s THR 51 Cb -0.05 -1.24 -0.11 0.00 0.01 0.00 0.00 72.50 71.10 2gcf s THR 51 CO 0.65 0.00 2.18 0.35 -0.69 0.00 0.00 174.62 177.11 2gcf n THR 52 N -0.25 0.20 0.46 -0.82 -2.24 -1.26 -4.89 114.28 105.47 2gcf n THR 52 Ca -0.05 -0.26 0.12 0.00 -2.27 0.00 0.00 64.05 61.59 2gcf n THR 52 Cb 0.61 -1.65 0.47 0.00 -2.10 0.00 0.00 70.33 67.65 2gcf n THR 52 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2gcf n PRO 53 N 8.15 0.22 0.25 -0.78 -0.04 -1.26 -3.56 135.00 137.99 2gcf n PRO 53 Ca 0.41 0.37 0.14 0.00 -0.04 0.00 0.00 63.50 64.37 2gcf n PRO 53 Cb 0.23 -1.87 0.74 0.00 -0.04 0.00 0.00 33.50 32.56 2gcf n PRO 53 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2gcf h GLN 54 N 0.00 0.00 0.00 0.54 3.07 -2.03 -1.71 115.11 114.98 2gcf h GLN 54 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 2gcf h GLN 54 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.04 2gcf h GLN 54 CO 0.00 0.00 -0.01 0.82 0.09 0.00 0.00 178.83 179.73 2gcf h ILE 55 N 0.00 0.32 -0.30 1.86 2.04 -1.98 -0.66 117.51 118.78 2gcf h ILE 55 Ca 0.00 -0.07 0.09 0.00 1.00 0.00 0.00 64.86 65.88 2gcf h ILE 55 Cb 0.32 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2gcf h ILE 55 CO 0.00 0.01 0.33 0.17 0.00 0.00 0.00 178.15 178.66 2gcf h LEU 56 N 0.00 0.00 0.00 1.44 8.10 -1.62 -2.15 115.31 121.08 2gcf h LEU 56 Ca -0.00 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.94 2gcf h LEU 56 Cb 0.05 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.26 2gcf h LEU 56 CO 0.00 0.00 -0.75 0.41 -4.11 0.00 0.00 178.44 173.99 2gcf n THR 57 N -3.76 1.45 -0.25 0.15 -1.04 -0.28 -4.44 114.28 106.11 2gcf n THR 57 Ca 0.05 0.15 0.05 0.00 -2.04 0.00 0.00 64.05 62.26 2gcf n THR 57 Cb 0.48 -2.32 0.17 0.00 -1.82 0.00 0.00 70.33 66.84 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 -1.00 -0.19 0.00 8.00 3.58 -1.30 0.11 116.42 125.63 2gcf h ASP 58 Ca -0.08 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.55 2gcf h ASP 58 Cb 0.72 0.28 0.00 0.00 1.72 0.00 0.00 39.33 42.05 2gcf h ASP 58 CO -0.05 -0.12 0.00 0.00 -2.88 0.00 0.00 179.24 176.19 2gcf n ALA 59 N -2.81 2.36 -0.08 -0.78 0.00 -0.82 -1.92 120.51 116.46 2gcf n ALA 59 Ca 0.14 -0.13 -0.10 0.00 0.00 0.00 0.00 53.44 53.36 2gcf n ALA 59 Cb 0.47 -1.33 -0.11 0.00 0.00 0.00 0.00 19.45 18.48 2gcf n ALA 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2gcf n VAL 60 N -0.93 1.07 -0.22 0.00 0.31 0.31 -4.60 118.33 114.28 2gcf n VAL 60 Ca 0.15 -0.58 -0.06 0.00 -0.01 0.00 0.00 64.34 63.84 2gcf n VAL 60 Cb 0.07 -0.80 0.04 0.00 -0.91 0.00 0.00 33.84 32.24 2gcf n VAL 60 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2gcf h GLU 61 N 0.00 0.87 0.00 5.55 4.39 -0.61 -2.38 114.58 122.40 2gcf h GLU 61 Ca -0.42 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.18 2gcf h GLU 61 Cb 1.85 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 30.33 2gcf h GLU 61 CO -0.01 0.64 0.37 2.89 -1.16 0.00 0.00 179.01 181.75 2gcf n ARG 62 N -4.57 0.06 -0.00 2.33 -4.01 -0.81 -0.75 116.66 108.92 2gcf n ARG 62 Ca 0.05 0.51 0.10 0.00 -1.04 0.00 0.00 57.85 57.46 2gcf n ARG 62 Cb 0.07 -2.08 -0.12 0.00 -3.04 0.00 0.00 32.46 27.30 2gcf n ARG 62 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2gcf n ALA 63 N -1.46 4.73 -0.56 2.89 0.00 -0.92 -4.96 120.51 120.23 2gcf n ALA 63 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2gcf n ALA 63 Cb 0.39 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 1.50 0.75 3.74 0.00 0.00 0.07 -4.87 105.19 106.38 2gcf n GLY 64 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.55 2.77 0.04 1.61 2.02 -1.07 -4.86 117.35 115.31 2gcf s TYR 65 Ca 0.00 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.39 2gcf s TYR 65 Cb 0.00 -1.54 -0.03 0.00 -0.40 0.00 0.00 41.96 39.99 2gcf s TYR 65 CO 0.00 0.40 -0.04 -1.01 -1.57 0.00 0.00 175.55 173.33 2gcf s HIS 66 N -2.36 0.42 -0.57 2.71 3.76 -0.30 -3.25 115.29 115.70 2gcf s HIS 66 Ca 0.36 -0.69 -0.28 0.00 -0.15 0.00 0.00 55.06 54.31 2gcf s HIS 66 Cb -0.04 -0.29 0.01 0.00 1.11 0.00 0.00 32.58 33.37 2gcf s HIS 66 CO 0.23 -0.22 1.41 0.00 -0.85 0.00 0.00 174.74 175.30 2gcf s ALA 67 N -2.22 2.80 -1.28 -1.40 0.00 -1.26 -0.28 121.76 118.12 2gcf s ALA 67 Ca -0.07 -0.71 -0.17 0.00 0.00 0.00 0.00 51.96 51.01 2gcf s ALA 67 Cb -0.04 -4.11 0.09 0.00 0.00 0.00 0.00 23.12 19.06 2gcf s ALA 67 CO -0.03 -2.95 1.67 -2.13 0.00 0.00 0.00 175.76 172.31 2gcf n ARG 68 N 8.69 3.24 -1.84 0.00 3.00 0.60 -4.95 116.66 125.41 2gcf n ARG 68 Ca 0.12 -3.41 -0.42 0.00 -0.00 0.00 0.00 57.85 54.14 2gcf n ARG 68 Cb 0.49 -3.39 -0.03 0.00 0.00 0.00 0.00 32.46 29.54 2gcf n ARG 68 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2gcf s VAL 69 N 3.57 2.33 0.00 5.15 1.01 -1.26 -0.91 120.40 130.30 2gcf s VAL 69 Ca 0.51 0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.69 2gcf s VAL 69 Cb 0.02 -3.16 -0.00 0.00 0.00 0.00 0.00 36.38 33.24 2gcf s VAL 69 CO 0.06 0.02 0.09 -1.48 0.00 0.00 0.00 175.10 173.79 2gcf s LEU 70 N 0.89 1.74 0.09 3.92 0.05 -1.26 -4.94 118.68 119.17 2gcf s LEU 70 Ca 0.70 -0.25 -0.21 0.00 0.05 0.00 0.00 54.13 54.42 2gcf s LEU 70 Cb -0.46 0.49 0.05 0.00 -2.05 0.00 0.00 46.19 44.22 2gcf s LEU 70 CO 0.34 -0.32 0.51 -0.54 -0.55 0.00 0.00 176.35 175.79 2gcf s LYS 71 N -1.28 1.11 -0.02 1.48 -0.14 -1.26 -4.94 119.74 114.69 2gcf s LYS 71 Ca -0.14 -0.41 0.01 0.00 -1.36 0.00 0.00 55.97 54.07 2gcf s LYS 71 Cb -0.08 0.50 0.01 0.00 -1.68 0.00 0.00 37.83 36.59 2gcf s LYS 71 CO 0.01 -0.43 -0.01 -0.65 -0.76 0.00 0.00 175.35 173.50 2gcf s GLN 72 N -3.11 0.26 0.00 1.68 -0.21 -1.26 -5.29 119.66 111.73 2gcf s GLN 72 Ca -0.02 -0.02 0.00 0.00 0.02 0.00 0.00 55.36 55.35 2gcf s GLN 72 Cb -0.00 -0.34 0.00 0.00 1.00 0.00 0.00 33.01 33.67 2gcf s GLN 72 CO -0.07 -0.03 0.00 1.04 -2.12 0.00 0.00 175.29 174.11