#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctf n SER 2 N 0.00 -0.98 -0.07 1.61 3.41 -1.26 -4.80 113.62 111.53 2ctf n SER 2 Ca 0.00 -1.06 -0.08 0.00 -0.26 0.00 0.00 58.87 57.48 2ctf n SER 2 Cb 0.00 -1.34 -0.05 0.00 -0.26 0.00 0.00 64.21 62.56 2ctf n SER 2 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2ctf h SER 3 N -0.88 0.00 -4.11 4.04 0.87 -2.16 -3.51 113.55 107.81 2ctf h SER 3 Ca -0.52 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 59.73 2ctf h SER 3 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2ctf h SER 3 CO 0.72 0.83 -0.75 0.61 -0.53 0.00 0.00 176.83 177.71 2ctf n GLY 4 N 1.65 -4.45 3.48 5.77 0.00 -1.26 -5.08 105.19 105.30 2ctf n GLY 4 Ca -0.09 -0.71 -0.17 0.00 0.00 0.00 0.00 46.02 45.05 2ctf n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ctf s SER 5 N -2.75 -0.60 0.18 1.61 1.04 -1.26 -5.18 113.70 106.73 2ctf s SER 5 Ca 0.00 0.53 -0.23 0.00 0.48 0.00 0.00 55.95 56.74 2ctf s SER 5 Cb 0.00 0.53 0.07 0.00 0.10 0.00 0.00 66.02 66.73 2ctf s SER 5 CO 0.00 -0.66 1.02 -0.94 0.98 0.00 0.00 173.24 173.64 2ctf s SER 6 N -1.49 -0.04 0.00 7.02 1.04 -1.26 -5.17 113.70 113.80 2ctf s SER 6 Ca -0.09 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.74 2ctf s SER 6 Cb -0.00 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2ctf s SER 6 CO 0.05 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.92 2ctf n GLY 7 N -0.64 -0.72 3.87 7.32 0.00 -1.26 -5.05 105.19 108.72 2ctf n GLY 7 Ca -0.04 0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2ctf n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ctf n GLU 8 N 0.00 -2.09 -0.58 1.61 1.02 -1.26 -4.95 120.64 114.38 2ctf n GLU 8 Ca 0.00 0.38 -0.17 0.00 -0.02 0.00 0.00 57.16 57.35 2ctf n GLU 8 Cb 0.00 -4.13 0.14 0.00 -0.02 0.00 0.00 31.44 27.43 2ctf n GLU 8 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2ctf n PRO 9 N -4.39 -2.23 -3.26 3.49 -0.04 -1.26 -5.08 135.00 122.22 2ctf n PRO 9 Ca -0.21 -0.98 -0.21 0.00 -0.04 0.00 0.00 63.50 62.06 2ctf n PRO 9 Cb 0.64 -0.92 0.03 0.00 -0.04 0.00 0.00 33.50 33.21 2ctf n PRO 9 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2ctf s GLU 10 N -4.40 2.37 -0.25 0.54 2.02 -1.26 -5.14 118.70 112.58 2ctf s GLU 10 Ca 0.40 -1.68 -0.28 0.00 0.02 0.00 0.00 54.97 53.43 2ctf s GLU 10 Cb -0.04 -2.52 0.16 0.00 0.10 0.00 0.00 34.13 31.83 2ctf s GLU 10 CO 0.31 -0.69 1.21 -1.59 0.02 0.00 0.00 175.26 174.52 2ctf s LYS 11 N -4.51 0.29 0.34 1.61 0.00 -1.26 -5.19 119.74 111.03 2ctf s LYS 11 Ca 0.54 0.15 -0.02 0.00 0.00 0.00 0.00 55.97 56.63 2ctf s LYS 11 Cb -0.05 0.14 -0.00 0.00 0.00 0.00 0.00 37.83 37.92 2ctf s LYS 11 CO 0.33 -0.08 0.46 -0.51 0.00 0.00 0.00 175.35 175.56 2ctf s LEU 12 N -0.69 1.05 0.00 2.77 1.43 -1.26 -5.16 118.68 116.81 2ctf s LEU 12 Ca 0.04 -1.49 0.00 0.00 -1.03 0.00 0.00 54.13 51.65 2ctf s LEU 12 Cb -0.02 1.40 0.00 0.00 0.03 0.00 0.00 46.19 47.60 2ctf s LEU 12 CO -0.06 -1.27 0.00 0.61 0.23 0.00 0.00 176.35 175.86 2ctf n GLY 13 N -0.56 1.72 3.58 -3.19 0.00 -1.26 -5.19 105.19 100.30 2ctf n GLY 13 Ca 0.01 0.41 -0.14 0.00 0.00 0.00 0.00 46.02 46.30 2ctf n GLY 13 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ctf s GLN 14 N 0.00 0.85 -0.06 1.61 2.00 -1.26 -5.17 119.66 117.64 2ctf s GLN 14 Ca 0.00 0.58 -0.02 0.00 -2.00 0.00 0.00 55.36 53.92 2ctf s GLN 14 Cb 0.00 0.41 0.04 0.00 0.80 0.00 0.00 33.01 34.26 2ctf s GLN 14 CO 0.00 -0.19 0.12 0.00 -0.50 0.00 0.00 175.29 174.72 2ctf s ALA 15 N -0.38 -0.16 -0.88 1.58 0.00 -1.26 -5.09 121.76 115.57 2ctf s ALA 15 Ca -0.04 0.57 -0.03 0.00 0.00 0.00 0.00 51.96 52.46 2ctf s ALA 15 Cb -0.03 -0.47 0.22 0.00 0.00 0.00 0.00 23.12 22.85 2ctf s ALA 15 CO 0.03 -0.21 0.77 -0.51 0.00 0.00 0.00 175.76 175.84 2ctf s LEU 16 N 1.34 5.65 -0.11 0.00 1.43 -1.26 -5.01 118.68 120.71 2ctf s LEU 16 Ca -0.07 -3.54 -0.01 0.00 -1.03 0.00 0.00 54.13 49.48 2ctf s LEU 16 Cb -0.12 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.19 2ctf s LEU 16 CO -0.05 -0.24 -0.03 0.42 0.23 0.00 0.00 176.35 176.68 2ctf s THR 17 N -1.09 0.73 0.24 5.49 -4.23 -1.26 -5.13 115.64 110.39 2ctf s THR 17 Ca 0.26 -0.20 -0.00 0.00 -1.18 0.00 0.00 61.69 60.57 2ctf s THR 17 Cb -0.09 -0.87 -0.03 0.00 1.34 0.00 0.00 72.50 72.84 2ctf s THR 17 CO -0.11 0.23 0.22 -1.61 -0.54 0.00 0.00 174.62 172.82 2ctf s GLU 18 N 1.82 1.41 -0.35 3.99 2.02 -1.26 -5.10 118.70 121.23 2ctf s GLU 18 Ca 0.04 -1.70 -0.28 0.00 0.02 0.00 0.00 54.97 53.05 2ctf s GLU 18 Cb -0.13 0.31 -0.02 0.00 0.10 0.00 0.00 34.13 34.39 2ctf s GLU 18 CO -0.07 -0.50 1.79 0.14 0.02 0.00 0.00 175.26 176.64 2ctf s VAL 19 N -3.91 3.48 0.17 2.63 -7.23 -1.26 -4.91 120.40 109.38 2ctf s VAL 19 Ca 0.37 0.48 -0.24 0.00 -1.81 0.00 0.00 61.98 60.78 2ctf s VAL 19 Cb 0.05 -3.68 0.07 0.00 0.56 0.00 0.00 36.38 33.38 2ctf s VAL 19 CO 0.16 -0.45 1.00 -0.47 -0.31 0.00 0.00 175.10 175.03 2ctf s TYR 20 N 7.01 -0.03 -0.23 2.82 5.04 -1.26 -5.19 117.35 125.52 2ctf s TYR 20 Ca 0.78 -0.32 -0.31 0.00 -2.44 0.00 0.00 57.07 54.79 2ctf s TYR 20 Cb -0.21 0.67 0.16 0.00 0.35 0.00 0.00 41.96 42.93 2ctf s TYR 20 CO 0.33 -0.87 1.22 0.00 -1.34 0.00 0.00 175.55 174.89 2ctf s ALA 21 N -2.73 -2.05 -0.54 3.97 0.00 -1.26 -5.12 121.76 114.03 2ctf s ALA 21 Ca 0.17 1.74 -0.27 0.00 0.00 0.00 0.00 51.96 53.59 2ctf s ALA 21 Cb -0.02 -0.98 0.03 0.00 0.00 0.00 0.00 23.12 22.16 2ctf s ALA 21 CO 0.04 -0.34 1.08 0.21 0.00 0.00 0.00 175.76 176.75 2ctf s LYS 22 N -1.35 3.51 -0.75 0.00 2.47 -1.26 -4.98 119.74 117.38 2ctf s LYS 22 Ca 0.06 0.17 -0.27 0.00 -1.56 0.00 0.00 55.97 54.37 2ctf s LYS 22 Cb -0.01 -3.99 0.03 0.00 -1.46 0.00 0.00 37.83 32.40 2ctf s LYS 22 CO -0.04 -1.52 1.33 0.00 0.16 0.00 0.00 175.35 175.28 2ctf s ALA 23 N 4.46 2.70 -0.36 3.13 0.00 -1.26 -4.94 121.76 125.49 2ctf s ALA 23 Ca 0.40 -1.38 -0.38 0.00 0.00 0.00 0.00 51.96 50.60 2ctf s ALA 23 Cb -0.09 -4.28 -0.14 0.00 0.00 0.00 0.00 23.12 18.61 2ctf s ALA 23 CO 0.25 -3.36 2.09 0.09 0.00 0.00 0.00 175.76 174.83 2ctf n ASN 24 N 9.60 1.94 -3.98 0.00 5.03 -1.26 -4.92 115.26 121.68 2ctf n ASN 24 Ca 0.06 0.60 -0.08 0.00 0.87 0.00 0.00 54.58 56.03 2ctf n ASN 24 Cb 0.49 -1.17 -0.09 0.00 -1.02 0.00 0.00 39.78 37.99 2ctf n ASN 24 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2ctf s SER 25 N 6.31 0.29 -0.05 6.41 0.01 -1.26 -5.15 113.70 120.25 2ctf s SER 25 Ca 1.09 -0.73 -0.22 0.00 1.31 0.00 0.00 55.95 57.40 2ctf s SER 25 Cb -1.02 0.24 -0.04 0.00 0.21 0.00 0.00 66.02 65.41 2ctf s SER 25 CO 0.55 -0.58 0.62 0.12 0.41 0.00 0.00 173.24 174.37 2ctf s PHE 26 N -3.32 3.60 -0.06 2.43 2.19 -1.26 -4.43 117.98 117.13 2ctf s PHE 26 Ca 0.01 1.17 0.03 0.00 0.33 0.00 0.00 56.93 58.47 2ctf s PHE 26 Cb 0.03 -2.69 0.00 0.00 -1.31 0.00 0.00 43.02 39.05 2ctf s PHE 26 CO -0.08 0.19 -0.16 0.99 1.83 0.00 0.00 175.22 177.99 2ctf s THR 27 N 0.43 1.41 -0.22 0.12 2.01 0.17 -4.93 115.64 114.63 2ctf s THR 27 Ca 0.33 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.68 2ctf s THR 27 Cb -0.17 -1.24 0.05 0.00 0.01 0.00 0.00 72.50 71.14 2ctf s THR 27 CO 0.16 0.41 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.71 2ctf s VAL 28 N 0.34 1.81 0.31 3.82 1.01 -1.26 -0.94 120.40 125.49 2ctf s VAL 28 Ca -0.11 -1.22 0.10 0.00 0.00 0.00 0.00 61.98 60.76 2ctf s VAL 28 Cb -0.14 -1.90 -0.06 0.00 0.00 0.00 0.00 36.38 34.28 2ctf s VAL 28 CO 0.04 0.10 -0.13 -0.55 0.00 0.00 0.00 175.10 174.56 2ctf s SER 29 N 1.30 3.56 0.18 3.32 0.15 -0.97 -4.96 113.70 116.28 2ctf s SER 29 Ca -0.04 -1.14 0.10 0.00 0.70 0.00 0.00 55.95 55.57 2ctf s SER 29 Cb -0.17 -0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 63.78 2ctf s SER 29 CO -0.07 -0.14 -0.21 -0.94 1.20 0.00 0.00 173.24 173.07 2ctf s SER 30 N -3.55 3.05 -0.16 5.45 1.04 -1.26 0.05 113.70 118.32 2ctf s SER 30 Ca 0.31 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.89 2ctf s SER 30 Cb 0.00 -0.21 0.03 0.00 0.10 0.00 0.00 66.02 65.95 2ctf s SER 30 CO 0.15 0.05 -0.10 -0.69 0.98 0.00 0.00 173.24 173.63 2ctf s VAL 31 N -1.82 1.38 -0.37 5.02 1.01 0.22 -4.97 120.40 120.87 2ctf s VAL 31 Ca 0.18 -0.67 -0.27 0.00 0.00 0.00 0.00 61.98 61.21 2ctf s VAL 31 Cb -0.07 -1.42 -0.07 0.00 0.00 0.00 0.00 36.38 34.83 2ctf s VAL 31 CO 0.08 0.28 2.33 0.00 0.00 0.00 0.00 175.10 177.79 2ctf n ALA 32 N 4.80 1.25 -2.95 5.51 0.00 -1.26 -1.75 120.51 126.11 2ctf n ALA 32 Ca -0.14 -0.59 -0.12 0.00 0.00 0.00 0.00 53.44 52.59 2ctf n ALA 32 Cb 0.48 -3.04 -0.13 0.00 0.00 0.00 0.00 19.45 16.76 2ctf n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ctf s ALA 33 N 10.25 -0.14 1.25 0.00 0.00 -1.24 -4.97 121.76 126.92 2ctf s ALA 33 Ca 1.01 0.07 -0.21 0.00 0.00 0.00 0.00 51.96 52.83 2ctf s ALA 33 Cb -0.29 -0.06 0.31 0.00 0.00 0.00 0.00 23.12 23.08 2ctf s ALA 33 CO 0.32 -0.06 1.10 -0.35 0.00 0.00 0.00 175.76 176.77 2ctf n PRO 34 N 2.78 -3.19 0.00 0.00 -0.04 -1.26 -3.22 135.00 130.08 2ctf n PRO 34 Ca -0.14 -1.76 0.00 0.00 -0.04 0.00 0.00 63.50 61.56 2ctf n PRO 34 Cb 0.59 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 2ctf n PRO 34 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ctf n SER 35 N -4.90 4.14 0.11 3.54 7.64 -1.26 -4.65 113.62 118.24 2ctf n SER 35 Ca 0.15 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.10 2ctf n SER 35 Cb 0.59 0.65 0.38 0.00 -1.01 0.00 0.00 64.21 64.83 2ctf n SER 35 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 2ctf n TRP 36 N -1.45 0.47 -0.96 1.43 4.27 -1.26 -0.36 117.44 119.58 2ctf n TRP 36 Ca 0.00 0.25 0.09 0.00 -3.89 0.00 0.00 57.50 53.95 2ctf n TRP 36 Cb 0.18 -0.88 0.15 0.00 -1.36 0.00 0.00 31.31 29.39 2ctf n TRP 36 CO 0.00 0.00 0.00 1.47 -2.29 0.00 0.00 177.69 176.87 2ctf n LEU 37 N -1.99 2.63 0.20 5.67 -0.00 -1.26 -4.68 117.00 117.57 2ctf n LEU 37 Ca -0.01 -2.98 0.06 0.00 -0.00 0.00 0.00 56.01 53.08 2ctf n LEU 37 Cb 0.03 -0.42 0.53 0.00 -0.00 0.00 0.00 43.42 43.57 2ctf n LEU 37 CO 0.06 0.69 1.00 0.45 -0.00 0.00 0.00 177.39 179.59 2ctf h HIS 38 N 0.39 0.09 -0.39 1.47 3.86 -0.96 0.13 115.15 119.74 2ctf h HIS 38 Ca 0.00 -0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 2ctf h HIS 38 Cb 1.04 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.47 2ctf h HIS 38 CO 0.10 0.15 -0.06 0.00 0.86 0.00 0.00 177.93 178.98 2ctf h ARG 39 N 0.10 0.64 0.15 2.45 3.08 -1.83 -0.00 114.38 118.96 2ctf h ARG 39 Ca 0.02 -0.18 -0.31 0.00 0.07 0.00 0.00 59.98 59.59 2ctf h ARG 39 Cb 0.15 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2ctf h ARG 39 CO 0.01 0.70 -1.54 0.74 -1.07 0.00 0.00 179.97 178.81 2ctf h PHE 40 N 0.60 0.57 -0.22 3.04 -1.00 -1.71 -2.42 116.94 115.80 2ctf h PHE 40 Ca 0.12 -0.41 -0.04 0.00 2.81 0.00 0.00 57.97 60.45 2ctf h PHE 40 Cb 0.46 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.99 2ctf h PHE 40 CO 0.02 1.60 -0.03 0.97 -1.61 0.00 0.00 178.31 179.26 2ctf h ILE 41 N -0.13 1.16 0.01 -0.55 2.10 -0.75 -3.13 117.51 116.21 2ctf h ILE 41 Ca -0.32 -0.63 -0.08 0.00 1.08 0.00 0.00 64.86 64.92 2ctf h ILE 41 Cb 1.90 1.03 -0.01 0.00 -1.09 0.00 0.00 36.82 38.65 2ctf h ILE 41 CO 0.11 0.21 -0.41 0.40 -1.08 0.00 0.00 178.15 177.38 2ctf h ILE 42 N 0.32 1.53 0.00 2.19 2.04 -1.12 -3.38 117.51 119.09 2ctf h ILE 42 Ca 0.07 -2.31 0.00 0.00 1.00 0.00 0.00 64.86 63.62 2ctf h ILE 42 Cb 0.27 3.06 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 2ctf h ILE 42 CO 0.01 0.54 0.00 0.61 0.00 0.00 0.00 178.15 179.31 2ctf n GLY 43 N 1.57 2.72 0.32 5.37 0.00 -0.91 -3.33 105.19 110.93 2ctf n GLY 43 Ca -0.16 -1.42 0.15 0.00 0.00 0.00 0.00 46.02 44.59 2ctf n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ctf h LYS 44 N 0.00 0.14 -1.10 1.61 1.79 -1.89 -0.83 116.57 116.29 2ctf h LYS 44 Ca 0.00 -0.01 -0.53 0.00 -2.18 0.00 0.00 60.65 57.93 2ctf h LYS 44 Cb 0.00 -0.03 -0.42 0.00 -1.58 0.00 0.00 32.23 30.20 2ctf h LYS 44 CO 0.00 0.09 -0.83 1.17 -1.08 0.00 0.00 179.45 178.80 2ctf n LYS 45 N -5.29 3.22 -3.72 3.15 4.81 -1.26 -4.99 118.16 114.08 2ctf n LYS 45 Ca 0.24 -4.21 -0.26 0.00 -0.87 0.00 0.00 58.31 53.21 2ctf n LYS 45 Cb 0.76 -2.14 0.01 0.00 0.02 0.00 0.00 35.03 33.68 2ctf n LYS 45 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ctf n GLY 46 N -0.55 -1.09 0.64 3.14 0.00 -0.32 -4.92 105.19 102.09 2ctf n GLY 46 Ca 0.37 0.69 -0.09 0.00 0.00 0.00 0.00 46.02 46.99 2ctf n GLY 46 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ctf n GLN 47 N -2.21 0.19 -0.34 1.61 1.13 -1.21 -4.09 117.38 112.46 2ctf n GLN 47 Ca -0.27 0.08 -0.01 0.00 -1.94 0.00 0.00 57.00 54.86 2ctf n GLN 47 Cb 0.69 -0.86 0.12 0.00 0.11 0.00 0.00 30.24 30.29 2ctf n GLN 47 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 2ctf h ASN 48 N -0.28 1.00 0.05 1.08 2.35 -1.84 -2.02 115.58 115.92 2ctf h ASN 48 Ca -0.22 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.51 2ctf h ASN 48 Cb 1.21 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.35 2ctf h ASN 48 CO -0.13 0.70 -0.03 -0.07 -1.65 0.00 0.00 177.43 176.25 2ctf h LEU 49 N 1.17 -0.06 -0.97 1.61 3.38 -1.74 -3.25 115.31 115.45 2ctf h LEU 49 Ca 0.36 -0.59 0.30 0.00 0.09 0.00 0.00 57.88 58.04 2ctf h LEU 49 Cb -0.02 0.02 -0.15 0.00 0.09 0.00 0.00 40.66 40.60 2ctf h LEU 49 CO -0.11 0.63 0.47 0.00 0.09 0.00 0.00 178.44 179.52 2ctf h ALA 50 N -0.07 1.75 0.80 1.53 0.00 -1.68 -0.65 119.26 120.94 2ctf h ALA 50 Ca -0.01 0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2ctf h ALA 50 Cb 0.65 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2ctf h ALA 50 CO 0.01 -0.53 -0.48 -0.22 0.00 0.00 0.00 179.25 178.03 2ctf h LYS 51 N 0.30 -1.15 -0.04 0.00 1.63 -1.43 -0.17 116.57 115.70 2ctf h LYS 51 Ca 0.68 0.08 0.03 0.00 -0.85 0.00 0.00 60.65 60.59 2ctf h LYS 51 Cb 1.50 0.26 -0.06 0.00 -0.60 0.00 0.00 32.23 33.33 2ctf h LYS 51 CO -0.62 -0.77 -0.51 0.82 -3.45 0.00 0.00 179.45 174.92 2ctf h ILE 52 N -1.20 0.03 -1.00 2.00 2.04 -1.18 -0.48 117.51 117.72 2ctf h ILE 52 Ca -0.11 0.00 0.20 0.00 1.00 0.00 0.00 64.86 65.95 2ctf h ILE 52 Cb 0.96 0.03 -0.11 0.00 -0.74 0.00 0.00 36.82 36.96 2ctf h ILE 52 CO 0.12 0.00 0.60 0.00 0.00 0.00 0.00 178.15 178.87 2ctf h THR 53 N -0.63 0.68 -0.16 -0.27 1.03 -1.31 0.31 112.91 112.56 2ctf h THR 53 Ca 0.03 -0.25 -0.00 0.00 -0.01 0.00 0.00 66.41 66.17 2ctf h THR 53 Cb 0.70 -0.12 -0.01 0.00 -1.07 0.00 0.00 68.15 67.66 2ctf h THR 53 CO -0.37 0.13 0.09 -0.61 -0.01 0.00 0.00 175.52 174.75 2ctf h GLN 54 N 0.73 0.22 0.00 0.00 5.75 0.35 -0.49 115.11 121.67 2ctf h GLN 54 Ca 0.59 -0.02 -0.10 0.00 -0.15 0.00 0.00 58.65 58.96 2ctf h GLN 54 Cb 0.94 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.43 2ctf h GLN 54 CO -0.40 0.21 -0.48 0.37 -2.65 0.00 0.00 178.83 175.88 2ctf h GLN 55 N 0.17 0.00 -2.63 1.69 5.75 0.36 -3.36 115.11 117.10 2ctf h GLN 55 Ca 0.06 0.00 -0.60 0.00 -0.15 0.00 0.00 58.65 57.96 2ctf h GLN 55 Cb 0.05 0.00 -0.39 0.00 1.07 0.00 0.00 27.48 28.21 2ctf h GLN 55 CO -0.01 0.48 -0.84 -1.64 -2.65 0.00 0.00 178.83 174.17 2ctf s MET 56 N -3.90 1.31 0.22 1.69 -1.94 0.95 -4.96 119.30 112.67 2ctf s MET 56 Ca -0.02 -2.35 -0.01 0.00 -1.71 0.00 0.00 55.69 51.60 2ctf s MET 56 Cb 0.13 -2.01 0.22 0.00 2.01 0.00 0.00 34.83 35.19 2ctf s MET 56 CO 0.74 -1.33 1.59 -1.00 -0.01 0.00 0.00 175.02 175.01 2ctf h PRO 57 N 5.79 0.53 -0.79 2.03 0.13 -1.26 -3.08 132.00 135.35 2ctf h PRO 57 Ca 0.19 -0.28 0.04 0.00 -0.87 0.00 0.00 66.00 65.09 2ctf h PRO 57 Cb 0.88 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.97 2ctf h PRO 57 CO 0.46 0.86 0.52 0.87 -0.23 0.00 0.00 178.00 180.48 2ctf h LYS 58 N 0.43 0.91 -6.78 0.86 1.79 -1.93 -3.41 116.57 108.43 2ctf h LYS 58 Ca 0.03 -0.05 -0.48 0.00 -2.18 0.00 0.00 60.65 57.96 2ctf h LYS 58 Cb 0.93 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.35 2ctf h LYS 58 CO 0.08 0.60 0.33 0.08 -1.08 0.00 0.00 179.45 179.46 2ctf s VAL 59 N -5.81 4.17 -0.19 0.50 1.01 -1.17 -4.57 120.40 114.34 2ctf s VAL 59 Ca -0.11 1.91 -0.02 0.00 0.00 0.00 0.00 61.98 63.77 2ctf s VAL 59 Cb 0.19 -4.16 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 2ctf s VAL 59 CO 0.78 0.33 -0.09 -1.00 0.00 0.00 0.00 175.10 175.13 2ctf s HIS 60 N -1.38 2.89 -0.06 5.22 3.76 -0.08 -4.93 115.29 120.71 2ctf s HIS 60 Ca 0.45 -0.99 -0.15 0.00 -0.15 0.00 0.00 55.06 54.22 2ctf s HIS 60 Cb -0.22 -2.01 -0.05 0.00 1.11 0.00 0.00 32.58 31.41 2ctf s HIS 60 CO 0.28 -0.51 0.39 0.42 -0.85 0.00 0.00 174.74 174.46 2ctf s ILE 61 N 1.17 5.13 0.02 0.60 1.01 -1.26 -2.49 121.20 125.38 2ctf s ILE 61 Ca 0.02 0.78 0.03 0.00 0.00 0.00 0.00 60.65 61.48 2ctf s ILE 61 Cb -0.14 -3.70 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 2ctf s ILE 61 CO -0.03 0.50 -0.08 -0.70 0.00 0.00 0.00 174.94 174.62 2ctf s GLU 62 N -0.45 0.61 -0.05 2.79 2.56 -0.84 -5.00 118.70 118.32 2ctf s GLU 62 Ca 0.22 -0.51 0.05 0.00 0.00 0.00 0.00 54.97 54.73 2ctf s GLU 62 Cb -0.15 -0.53 -0.00 0.00 2.00 0.00 0.00 34.13 35.45 2ctf s GLU 62 CO 0.11 0.13 -0.19 -0.06 -0.56 0.00 0.00 175.26 174.69 2ctf s PHE 63 N -0.70 1.91 -0.08 5.30 0.08 -1.26 -2.55 117.98 120.68 2ctf s PHE 63 Ca -0.02 -0.58 -0.02 0.00 0.12 0.00 0.00 56.93 56.44 2ctf s PHE 63 Cb -0.06 -1.28 0.03 0.00 -0.57 0.00 0.00 43.02 41.15 2ctf s PHE 63 CO 0.00 -0.20 0.04 0.99 -0.10 0.00 0.00 175.22 175.95 2ctf s THR 64 N 0.04 0.12 0.04 0.64 2.01 -1.19 -5.04 115.64 112.27 2ctf s THR 64 Ca -0.05 0.18 -0.28 0.00 0.31 0.00 0.00 61.69 61.85 2ctf s THR 64 Cb -0.13 -0.40 -0.17 0.00 0.01 0.00 0.00 72.50 71.81 2ctf s THR 64 CO 0.03 0.14 1.45 -0.33 -0.69 0.00 0.00 174.62 175.21 2ctf h GLU 65 N 8.38 -0.57 0.00 4.92 5.08 -1.97 -0.06 114.58 130.37 2ctf h GLU 65 Ca -0.16 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2ctf h GLU 65 Cb 1.12 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2ctf h GLU 65 CO 0.22 -0.30 0.00 0.41 -1.00 0.00 0.00 179.01 178.34 2ctf n GLY 66 N -0.90 -2.95 0.29 -3.84 0.00 -1.26 -1.31 105.19 95.23 2ctf n GLY 66 Ca -0.11 0.32 0.16 0.00 0.00 0.00 0.00 46.02 46.39 2ctf n GLY 66 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ctf h GLU 67 N 0.00 0.00 -6.41 1.61 4.39 -2.01 -3.45 114.58 108.71 2ctf h GLU 67 Ca 0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 2ctf h GLU 67 Cb 0.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 2ctf h GLU 67 CO 0.00 0.00 -0.88 -0.25 -1.16 0.00 0.00 179.01 176.72 2ctf n ASP 68 N -2.75 -0.67 -3.74 1.42 8.00 -0.04 -4.96 116.55 113.81 2ctf n ASP 68 Ca -0.02 -0.98 -0.10 0.00 0.71 0.00 0.00 54.79 54.41 2ctf n ASP 68 Cb 0.25 -3.24 -0.05 0.00 -0.02 0.00 0.00 41.12 38.06 2ctf n ASP 68 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2ctf s LYS 69 N -6.42 1.20 -0.23 -1.24 -2.85 -1.17 -3.69 119.74 105.33 2ctf s LYS 69 Ca 0.02 -0.85 -0.06 0.00 -1.00 0.00 0.00 55.97 54.08 2ctf s LYS 69 Cb -0.01 0.47 -0.03 0.00 -2.06 0.00 0.00 37.83 36.21 2ctf s LYS 69 CO 0.87 -0.48 0.04 0.42 0.10 0.00 0.00 175.35 176.30 2ctf s ILE 70 N -3.86 4.12 -0.22 3.79 1.01 -0.72 -3.18 121.20 122.14 2ctf s ILE 70 Ca 0.08 -0.24 -0.15 0.00 0.00 0.00 0.00 60.65 60.33 2ctf s ILE 70 Cb 0.01 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 2ctf s ILE 70 CO -0.06 0.38 0.37 -0.89 0.00 0.00 0.00 174.94 174.74 2ctf s THR 71 N 1.34 5.20 0.03 2.92 2.01 -1.06 -0.61 115.64 125.48 2ctf s THR 71 Ca 0.05 0.63 0.03 0.00 0.31 0.00 0.00 61.69 62.71 2ctf s THR 71 Cb -0.15 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 2ctf s THR 71 CO 0.02 0.23 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.39 2ctf s LEU 72 N 1.49 3.34 -0.03 4.42 2.01 0.11 -1.98 118.68 128.03 2ctf s LEU 72 Ca 0.17 -0.13 -0.00 0.00 0.01 0.00 0.00 54.13 54.18 2ctf s LEU 72 Cb -0.15 -1.98 0.03 0.00 0.01 0.00 0.00 46.19 44.10 2ctf s LEU 72 CO 0.08 0.25 0.01 -1.61 1.01 0.00 0.00 176.35 176.09 2ctf s GLU 73 N -1.75 0.25 0.00 1.70 2.02 -1.04 -2.30 118.70 117.58 2ctf s GLU 73 Ca 0.20 0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.33 2ctf s GLU 73 Cb -0.11 -0.52 0.00 0.00 0.10 0.00 0.00 34.13 33.59 2ctf s GLU 73 CO 0.12 -0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.62 2ctf n GLY 74 N 4.43 -0.76 3.72 -1.39 0.00 -0.11 -0.91 105.19 110.18 2ctf n GLY 74 Ca -0.21 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 2ctf n GLY 74 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctf s PRO 75 N -2.00 4.35 0.56 1.61 0.04 -1.26 0.47 135.00 138.77 2ctf s PRO 75 Ca 0.00 2.03 0.45 0.00 0.04 0.00 0.00 61.00 63.53 2ctf s PRO 75 Cb 0.00 -3.25 1.61 0.00 0.04 0.00 0.00 34.50 32.90 2ctf s PRO 75 CO 0.00 -0.38 1.57 0.00 0.04 0.00 0.00 177.00 178.23 2ctf h THR 76 N 4.18 0.06 0.54 1.26 1.03 -1.83 0.39 112.91 118.54 2ctf h THR 76 Ca -0.43 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 65.95 2ctf h THR 76 Cb 1.21 0.07 0.01 0.00 -1.07 0.00 0.00 68.15 68.36 2ctf h THR 76 CO 0.84 0.00 -0.26 -0.08 -0.01 0.00 0.00 175.52 176.01 2ctf h GLU 77 N 0.00 -0.70 0.02 0.00 4.57 -1.94 -2.22 114.58 114.31 2ctf h GLU 77 Ca 0.82 0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 59.05 2ctf h GLU 77 Cb 3.44 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 32.19 2ctf h GLU 77 CO -0.01 -0.39 -0.01 -0.44 -1.18 0.00 0.00 179.01 176.98 2ctf h ASP 78 N -0.97 -0.02 -0.97 1.04 5.19 -0.80 -3.19 116.42 116.69 2ctf h ASP 78 Ca -0.07 -0.63 0.28 0.00 -0.62 0.00 0.00 57.03 55.98 2ctf h ASP 78 Cb 0.63 0.01 -0.14 0.00 0.18 0.00 0.00 39.33 40.00 2ctf h ASP 78 CO 0.12 0.63 0.50 0.58 -3.12 0.00 0.00 179.24 177.96 2ctf h VAL 79 N -0.69 0.39 -0.62 -1.35 2.07 -0.65 0.58 116.25 115.98 2ctf h VAL 79 Ca -0.00 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 2ctf h VAL 79 Cb 0.65 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 2ctf h VAL 79 CO 0.00 0.07 0.18 -1.28 0.02 0.00 0.00 177.57 176.57 2ctf h SER 80 N 0.38 0.87 0.13 0.57 0.87 -1.43 -0.08 113.55 114.86 2ctf h SER 80 Ca 0.66 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 61.06 2ctf h SER 80 Cb 1.39 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2ctf h SER 80 CO -0.57 0.83 -0.06 0.58 -0.53 0.00 0.00 176.83 177.07 2ctf h VAL 81 N 0.91 1.01 0.42 2.23 2.07 0.06 -2.75 116.25 120.20 2ctf h VAL 81 Ca 0.20 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 2ctf h VAL 81 Cb 0.27 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2ctf h VAL 81 CO -0.01 0.24 -0.32 0.00 0.02 0.00 0.00 177.57 177.50 2ctf h ALA 82 N -0.05 -0.75 -0.88 1.67 0.00 -0.92 -0.08 119.26 118.25 2ctf h ALA 82 Ca -0.02 -0.13 0.24 0.00 0.00 0.00 0.00 54.91 54.99 2ctf h ALA 82 Cb 0.53 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 2ctf h ALA 82 CO 0.03 -0.95 0.61 -0.56 0.00 0.00 0.00 179.25 178.39 2ctf h GLN 83 N -0.74 0.14 -0.03 0.00 3.07 -1.13 0.55 115.11 116.98 2ctf h GLN 83 Ca -0.04 -0.01 -0.20 0.00 0.09 0.00 0.00 58.65 58.49 2ctf h GLN 83 Cb 0.64 -0.03 0.01 0.00 0.08 0.00 0.00 27.48 28.18 2ctf h GLN 83 CO -0.01 0.09 -0.76 1.49 0.09 0.00 0.00 178.83 179.74 2ctf h GLU 84 N 0.15 0.57 -1.00 0.06 4.22 -1.03 -2.71 114.58 114.83 2ctf h GLU 84 Ca 0.44 -0.57 0.05 0.00 0.08 0.00 0.00 59.36 59.35 2ctf h GLU 84 Cb 1.48 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 30.82 2ctf h GLU 84 CO -0.07 1.19 0.65 1.96 -2.18 0.00 0.00 179.01 180.56 2ctf h GLN 85 N 0.17 1.19 -0.34 1.92 1.08 0.95 -2.11 115.11 117.97 2ctf h GLN 85 Ca -0.09 -0.07 -0.16 0.00 -1.45 0.00 0.00 58.65 56.89 2ctf h GLN 85 Cb 1.43 -0.27 -0.00 0.00 -0.05 0.00 0.00 27.48 28.59 2ctf h GLN 85 CO 0.15 0.78 -0.40 0.82 -0.95 0.00 0.00 178.83 179.24 2ctf h ILE 86 N 1.22 1.28 -0.33 2.54 2.04 -1.40 -2.99 117.51 119.87 2ctf h ILE 86 Ca 0.42 -1.57 0.04 0.00 1.00 0.00 0.00 64.86 64.74 2ctf h ILE 86 Cb 0.08 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 2ctf h ILE 86 CO -0.15 0.52 0.22 -0.33 0.00 0.00 0.00 178.15 178.41 2ctf h GLU 87 N 0.66 0.27 0.09 2.37 5.08 -1.07 -1.29 114.58 120.69 2ctf h GLU 87 Ca 0.05 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2ctf h GLU 87 Cb 0.99 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2ctf h GLU 87 CO 0.10 0.18 -0.05 0.78 -1.00 0.00 0.00 179.01 179.02 2ctf h GLY 88 N 0.28 -0.13 1.01 -3.84 0.00 -1.26 -1.52 103.07 97.61 2ctf h GLY 88 Ca 0.14 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.53 2ctf h GLY 88 CO -0.03 -0.05 0.47 0.00 0.00 0.00 0.00 176.54 176.93 2ctf h MET 89 N -0.61 0.94 0.70 4.80 -0.00 -1.38 -2.00 114.93 117.37 2ctf h MET 89 Ca -0.01 -0.06 -0.03 0.00 -0.00 0.00 0.00 59.70 59.60 2ctf h MET 89 Cb 0.50 -0.21 0.01 0.00 -0.00 0.00 0.00 31.60 31.89 2ctf h MET 89 CO 0.02 0.62 -0.34 0.28 -0.00 0.00 0.00 176.91 177.49 2ctf h VAL 90 N 0.96 0.23 -0.62 -0.10 2.07 -1.29 0.43 116.25 117.93 2ctf h VAL 90 Ca 0.26 -0.17 0.12 0.00 0.82 0.00 0.00 66.70 67.73 2ctf h VAL 90 Cb -0.11 0.27 -0.12 0.00 -1.52 0.00 0.00 31.29 29.81 2ctf h VAL 90 CO -0.06 0.02 -0.19 0.50 0.02 0.00 0.00 177.57 177.86 2ctf h LYS 91 N -1.08 -0.03 -0.59 1.57 1.63 -1.20 0.13 116.57 117.00 2ctf h LYS 91 Ca -0.10 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.68 2ctf h LYS 91 Cb 0.75 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.36 2ctf h LYS 91 CO 0.16 -0.02 0.25 0.22 -3.45 0.00 0.00 179.45 176.61 2ctf h ASP 92 N -0.03 0.81 -0.89 4.20 3.58 -1.32 0.27 116.42 123.03 2ctf h ASP 92 Ca 0.29 -0.16 0.05 0.00 0.42 0.00 0.00 57.03 57.63 2ctf h ASP 92 Cb 0.48 -0.21 -0.06 0.00 1.72 0.00 0.00 39.33 41.27 2ctf h ASP 92 CO -0.66 0.74 0.57 -0.07 -2.88 0.00 0.00 179.24 176.94 2ctf h LEU 93 N 0.82 0.92 0.00 2.28 3.38 0.12 0.21 115.31 123.05 2ctf h LEU 93 Ca 0.20 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.92 2ctf h LEU 93 Cb 0.17 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.73 2ctf h LEU 93 CO -0.02 0.62 -1.13 0.40 0.09 0.00 0.00 178.44 178.40 2ctf h ILE 94 N 1.07 1.45 -0.47 1.22 2.04 -0.55 -2.52 117.51 119.75 2ctf h ILE 94 Ca 0.37 -2.79 -0.07 0.00 1.00 0.00 0.00 64.86 63.37 2ctf h ILE 94 Cb 0.08 2.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.87 2ctf h ILE 94 CO -0.14 0.82 0.02 0.78 0.00 0.00 0.00 178.15 179.63 2ctf h ASN 95 N 0.14 0.80 -0.29 1.72 2.35 0.05 -2.91 115.58 117.44 2ctf h ASN 95 Ca -0.12 -0.29 -0.14 0.00 -0.55 0.00 0.00 56.30 55.20 2ctf h ASN 95 Cb 1.82 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 39.97 2ctf h ASN 95 CO 0.19 0.89 -0.35 0.08 -1.65 0.00 0.00 177.43 176.59 2ctf h ARG 96 N 0.67 0.75 -0.12 0.81 0.11 -0.69 -3.29 114.38 112.62 2ctf h ARG 96 Ca 0.14 -0.42 0.04 0.00 0.10 0.00 0.00 59.98 59.84 2ctf h ARG 96 Cb 0.47 0.03 -0.07 0.00 1.11 0.00 0.00 29.97 31.51 2ctf h ARG 96 CO 0.02 1.04 -0.47 0.77 0.10 0.00 0.00 179.97 181.43 2ctf h SER 97 N 0.50 -1.48 -3.23 0.08 0.02 -1.38 -3.42 113.55 104.64 2ctf h SER 97 Ca 0.04 0.19 -0.57 0.00 -0.84 0.00 0.00 61.79 60.61 2ctf h SER 97 Cb 0.94 0.59 0.18 0.00 0.14 0.00 0.00 62.40 64.25 2ctf h SER 97 CO 0.08 -0.46 -0.32 0.61 -1.14 0.00 0.00 176.83 175.60 2ctf n GLY 98 N -1.44 -1.36 0.00 -3.77 0.00 -1.11 -4.83 105.19 92.68 2ctf n GLY 98 Ca -0.05 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.73 2ctf n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ctf n PRO 99 N -0.70 0.36 -3.33 1.61 -0.04 -1.26 -4.71 135.00 126.94 2ctf n PRO 99 Ca 0.11 0.07 -0.38 0.00 -0.04 0.00 0.00 63.50 63.25 2ctf n PRO 99 Cb 0.49 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.39 2ctf n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ctf s SER 100 N -2.26 6.80 0.10 3.54 0.15 -1.26 -5.02 113.70 115.75 2ctf s SER 100 Ca 0.19 0.95 -0.31 0.00 0.70 0.00 0.00 55.95 57.49 2ctf s SER 100 Cb 0.10 -2.30 -0.10 0.00 -1.71 0.00 0.00 66.02 62.01 2ctf s SER 100 CO 0.20 0.11 1.87 -0.55 1.20 0.00 0.00 173.24 176.07 2ctf s SER 101 N -0.04 6.43 0.00 5.45 0.15 -1.26 -4.77 113.70 119.65 2ctf s SER 101 Ca 0.27 2.74 0.09 0.00 0.70 0.00 0.00 55.95 59.75 2ctf s SER 101 Cb -0.16 -2.56 0.51 0.00 -1.71 0.00 0.00 66.02 62.10 2ctf s SER 101 CO 0.13 -1.02 0.97 0.61 1.20 0.00 0.00 173.24 175.13