#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctf s SER 2 N 0.00 -0.31 0.11 1.61 1.04 -1.26 -5.19 113.70 109.70 2ctf s SER 2 Ca 0.00 -0.09 -0.26 0.00 0.48 0.00 0.00 55.95 56.08 2ctf s SER 2 Cb 0.00 0.40 0.08 0.00 0.10 0.00 0.00 66.02 66.60 2ctf s SER 2 CO 0.00 -0.67 1.06 -0.44 0.98 0.00 0.00 173.24 174.18 2ctf s SER 3 N -2.58 -0.12 0.19 7.02 0.01 -1.26 -5.19 113.70 111.77 2ctf s SER 3 Ca 0.07 -0.37 -0.23 0.00 1.31 0.00 0.00 55.95 56.73 2ctf s SER 3 Cb -0.01 0.40 0.06 0.00 0.21 0.00 0.00 66.02 66.68 2ctf s SER 3 CO -0.06 -0.75 0.95 -0.83 0.41 0.00 0.00 173.24 172.96 2ctf s GLY 4 N -3.03 -0.07 -0.10 3.44 0.00 -1.26 -5.19 107.32 101.12 2ctf s GLY 4 Ca 0.14 -0.12 -0.32 0.00 0.00 0.00 0.00 44.72 44.42 2ctf s GLY 4 CO 0.01 0.62 1.07 -0.45 0.00 0.00 0.00 173.10 174.35 2ctf s SER 5 N -3.08 -0.23 -0.12 1.64 0.15 -1.26 -5.19 113.70 105.61 2ctf s SER 5 Ca 0.15 -0.01 -0.30 0.00 0.70 0.00 0.00 55.95 56.49 2ctf s SER 5 Cb -0.02 0.25 0.11 0.00 -1.71 0.00 0.00 66.02 64.65 2ctf s SER 5 CO 0.04 -0.41 0.92 -0.55 1.20 0.00 0.00 173.24 174.45 2ctf s SER 6 N -2.34 -0.43 0.08 5.45 0.15 -1.26 -5.19 113.70 110.16 2ctf s SER 6 Ca 0.08 0.43 -0.27 0.00 0.70 0.00 0.00 55.95 56.89 2ctf s SER 6 Cb -0.01 0.36 0.08 0.00 -1.71 0.00 0.00 66.02 64.74 2ctf s SER 6 CO -0.06 -0.42 0.88 -0.83 1.20 0.00 0.00 173.24 174.00 2ctf s GLY 7 N -1.26 -0.39 -0.00 9.45 0.00 -1.26 -5.17 107.32 108.69 2ctf s GLY 7 Ca -0.03 0.60 0.03 0.00 0.00 0.00 0.00 44.72 45.33 2ctf s GLY 7 CO 0.02 0.19 -0.11 -1.83 0.00 0.00 0.00 173.10 171.37 2ctf s GLU 8 N -3.27 0.89 0.29 2.90 4.04 -1.26 -5.16 118.70 117.13 2ctf s GLU 8 Ca 0.07 -0.43 -0.05 0.00 0.04 0.00 0.00 54.97 54.60 2ctf s GLU 8 Cb -0.01 -0.86 0.07 0.00 0.02 0.00 0.00 34.13 33.35 2ctf s GLU 8 CO -0.05 0.23 0.25 -0.35 -1.84 0.00 0.00 175.26 173.51 2ctf n PRO 9 N 2.70 -1.52 -4.08 -4.83 -0.04 -1.26 -5.08 135.00 120.89 2ctf n PRO 9 Ca -0.14 -0.41 -0.19 0.00 -0.04 0.00 0.00 63.50 62.73 2ctf n PRO 9 Cb 0.56 -0.38 -0.16 0.00 -0.04 0.00 0.00 33.50 33.48 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 -3.58 0.61 -0.01 0.54 0.41 -1.26 -5.15 118.70 110.26 2ctf s GLU 10 Ca 0.17 -0.04 0.03 0.00 -0.41 0.00 0.00 54.97 54.72 2ctf s GLU 10 Cb -0.02 -0.67 -0.03 0.00 -1.78 0.00 0.00 34.13 31.63 2ctf s GLU 10 CO 0.13 -0.09 -0.09 0.15 -0.49 0.00 0.00 175.26 174.87 2ctf s LYS 11 N 0.89 2.53 -0.05 1.61 3.01 -1.26 -5.12 119.74 121.35 2ctf s LYS 11 Ca -0.11 -0.72 -0.20 0.00 -1.01 0.00 0.00 55.97 53.94 2ctf s LYS 11 Cb -0.14 -2.47 0.04 0.00 -1.01 0.00 0.00 37.83 34.26 2ctf s LYS 11 CO -0.00 0.61 0.45 -0.51 0.51 0.00 0.00 175.35 176.40 2ctf s LEU 12 N -1.23 0.29 -0.30 3.17 1.43 -1.26 -5.15 118.68 115.63 2ctf s LEU 12 Ca 0.15 0.39 -0.13 0.00 -1.03 0.00 0.00 54.13 53.51 2ctf s LEU 12 Cb -0.11 1.72 0.18 0.00 0.03 0.00 0.00 46.19 48.00 2ctf s LEU 12 CO 0.05 -0.46 1.09 -0.83 0.23 0.00 0.00 176.35 176.43 2ctf s GLY 13 N -1.09 -0.51 0.05 -3.19 0.00 -1.26 -5.18 107.32 96.15 2ctf s GLY 13 Ca -0.11 2.60 -0.05 0.00 0.00 0.00 0.00 44.72 47.16 2ctf s GLY 13 CO 0.06 3.96 0.08 -0.86 0.00 0.00 0.00 173.10 176.34 2ctf s GLN 14 N 2.96 0.66 -0.08 2.90 -2.07 -1.26 -5.17 119.66 117.61 2ctf s GLN 14 Ca 0.08 -0.94 -0.05 0.00 -1.82 0.00 0.00 55.36 52.63 2ctf s GLN 14 Cb -0.07 0.25 0.03 0.00 -1.09 0.00 0.00 33.01 32.14 2ctf s GLN 14 CO -0.15 -0.17 0.20 0.00 -1.32 0.00 0.00 175.29 173.85 2ctf s ALA 15 N -3.30 -0.45 0.33 2.60 0.00 -1.26 -5.17 121.76 114.51 2ctf s ALA 15 Ca 0.01 0.70 0.10 0.00 0.00 0.00 0.00 51.96 52.77 2ctf s ALA 15 Cb 0.03 -0.44 -0.06 0.00 0.00 0.00 0.00 23.12 22.65 2ctf s ALA 15 CO -0.08 -0.14 -0.11 -0.48 0.00 0.00 0.00 175.76 174.96 2ctf s LEU 16 N 0.67 2.69 -0.04 0.00 0.05 -1.26 -5.14 118.68 115.65 2ctf s LEU 16 Ca -0.05 -1.17 -0.02 0.00 0.05 0.00 0.00 54.13 52.95 2ctf s LEU 16 Cb -0.06 -0.98 0.03 0.00 -2.05 0.00 0.00 46.19 43.13 2ctf s LEU 16 CO -0.04 -0.18 0.05 0.42 -0.55 0.00 0.00 176.35 176.05 2ctf s THR 17 N -2.64 -0.07 -1.12 5.48 -4.23 -1.26 -5.08 115.64 106.72 2ctf s THR 17 Ca 0.32 0.37 -0.13 0.00 -1.18 0.00 0.00 61.69 61.06 2ctf s THR 17 Cb 0.01 -0.16 0.20 0.00 1.34 0.00 0.00 72.50 73.89 2ctf s THR 17 CO 0.16 0.17 1.26 -1.61 -0.54 0.00 0.00 174.62 174.05 2ctf s GLU 18 N 1.94 4.03 0.56 3.99 0.41 -1.26 -5.02 118.70 123.34 2ctf s GLU 18 Ca 0.02 -2.65 -0.19 0.00 -0.41 0.00 0.00 54.97 51.75 2ctf s GLU 18 Cb -0.12 -4.86 -0.05 0.00 -1.78 0.00 0.00 34.13 27.32 2ctf s GLU 18 CO -0.03 -1.59 1.13 0.14 -0.49 0.00 0.00 175.26 174.42 2ctf s VAL 19 N 0.84 3.16 0.35 2.63 -7.23 -1.26 -5.06 120.40 113.83 2ctf s VAL 19 Ca 0.36 0.69 0.09 0.00 -1.81 0.00 0.00 61.98 61.32 2ctf s VAL 19 Cb -0.06 -3.26 -0.06 0.00 0.56 0.00 0.00 36.38 33.56 2ctf s VAL 19 CO -0.04 -0.18 -0.04 -0.72 -0.31 0.00 0.00 175.10 173.81 2ctf s TYR 20 N -1.84 2.47 0.15 2.82 1.13 -1.26 -5.16 117.35 115.66 2ctf s TYR 20 Ca 0.72 -0.51 0.06 0.00 -1.41 0.00 0.00 57.07 55.93 2ctf s TYR 20 Cb -0.24 -1.48 -0.04 0.00 -1.10 0.00 0.00 41.96 39.10 2ctf s TYR 20 CO 0.29 0.52 -0.12 0.00 -2.51 0.00 0.00 175.55 173.73 2ctf s ALA 21 N -2.60 1.59 -0.19 9.51 0.00 -1.26 -5.14 121.76 123.67 2ctf s ALA 21 Ca 0.34 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 50.84 2ctf s ALA 21 Cb 0.03 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.15 2ctf s ALA 21 CO 0.18 0.00 -0.17 -1.59 0.00 0.00 0.00 175.76 174.18 2ctf s LYS 22 N -3.38 2.93 0.43 0.00 -2.85 -1.26 -5.12 119.74 110.48 2ctf s LYS 22 Ca 0.15 -0.88 0.07 0.00 -1.00 0.00 0.00 55.97 54.32 2ctf s LYS 22 Cb -0.01 -2.66 -0.04 0.00 -2.06 0.00 0.00 37.83 33.06 2ctf s LYS 22 CO 0.03 -0.26 0.19 0.00 0.10 0.00 0.00 175.35 175.42 2ctf s ALA 23 N 1.29 3.67 -0.20 0.59 0.00 -1.26 -5.13 121.76 120.72 2ctf s ALA 23 Ca 0.03 -1.99 0.00 0.00 0.00 0.00 0.00 51.96 50.01 2ctf s ALA 23 Cb -0.14 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.60 2ctf s ALA 23 CO -0.11 -0.18 -0.15 -0.80 0.00 0.00 0.00 175.76 174.51 2ctf s ASN 24 N -3.94 3.59 0.10 0.00 -0.87 -1.26 -5.08 114.94 107.48 2ctf s ASN 24 Ca 0.40 -0.75 -0.19 0.00 -1.57 0.00 0.00 52.86 50.74 2ctf s ASN 24 Cb 0.03 -1.54 0.04 0.00 -0.02 0.00 0.00 41.25 39.77 2ctf s ASN 24 CO 0.22 -0.04 0.45 -0.44 -2.57 0.00 0.00 177.10 174.72 2ctf s SER 25 N 1.29 -0.33 -0.30 -1.22 0.01 -1.26 -5.13 113.70 106.75 2ctf s SER 25 Ca 0.03 -0.11 -0.26 0.00 1.31 0.00 0.00 55.95 56.91 2ctf s SER 25 Cb -0.15 0.48 0.01 0.00 0.21 0.00 0.00 66.02 66.58 2ctf s SER 25 CO -0.10 -0.80 0.94 0.12 0.41 0.00 0.00 173.24 173.81 2ctf s PHE 26 N -3.26 3.20 -0.26 2.43 5.36 -1.26 -4.46 117.98 119.72 2ctf s PHE 26 Ca -0.01 1.06 -0.06 0.00 -0.96 0.00 0.00 56.93 56.96 2ctf s PHE 26 Cb 0.00 -3.42 -0.00 0.00 -0.34 0.00 0.00 43.02 39.26 2ctf s PHE 26 CO -0.08 -0.64 0.04 0.99 -1.46 0.00 0.00 175.22 174.07 2ctf s THR 27 N 3.28 3.79 -0.29 0.12 2.01 0.64 -4.95 115.64 120.24 2ctf s THR 27 Ca 0.39 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.83 2ctf s THR 27 Cb -0.13 -2.86 0.06 0.00 0.01 0.00 0.00 72.50 69.57 2ctf s THR 27 CO 0.13 0.22 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.55 2ctf s VAL 28 N 1.50 2.55 0.19 3.82 1.01 -1.26 -1.64 120.40 126.57 2ctf s VAL 28 Ca 0.04 -1.59 0.07 0.00 0.00 0.00 0.00 61.98 60.50 2ctf s VAL 28 Cb -0.16 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 2ctf s VAL 28 CO 0.01 -0.12 -0.14 -0.55 0.00 0.00 0.00 175.10 174.30 2ctf s SER 29 N 1.18 2.42 0.17 3.32 0.15 -0.59 -4.95 113.70 115.39 2ctf s SER 29 Ca -0.06 -0.99 0.11 0.00 0.70 0.00 0.00 55.95 55.71 2ctf s SER 29 Cb -0.20 -0.11 -0.04 0.00 -1.71 0.00 0.00 66.02 63.96 2ctf s SER 29 CO -0.03 -0.18 -0.22 -0.44 1.20 0.00 0.00 173.24 173.56 2ctf s SER 30 N -3.18 3.58 -0.10 5.45 0.01 -1.26 0.26 113.70 118.45 2ctf s SER 30 Ca 0.20 -0.76 0.03 0.00 1.31 0.00 0.00 55.95 56.73 2ctf s SER 30 Cb -0.01 -0.35 -0.01 0.00 0.21 0.00 0.00 66.02 65.87 2ctf s SER 30 CO 0.06 0.14 -0.21 -0.69 0.41 0.00 0.00 173.24 172.95 2ctf s VAL 31 N -1.47 2.37 -0.32 3.43 1.01 0.10 -4.94 120.40 120.59 2ctf s VAL 31 Ca 0.19 -0.91 -0.28 0.00 0.00 0.00 0.00 61.98 60.98 2ctf s VAL 31 Cb -0.09 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 2ctf s VAL 31 CO 0.10 0.55 1.93 0.00 0.00 0.00 0.00 175.10 177.68 2ctf s ALA 32 N 0.26 2.76 -0.05 5.51 0.00 -1.26 -1.57 121.76 127.41 2ctf s ALA 32 Ca -0.14 0.35 -0.07 0.00 0.00 0.00 0.00 51.96 52.10 2ctf s ALA 32 Cb -0.17 -4.05 0.01 0.00 0.00 0.00 0.00 23.12 18.91 2ctf s ALA 32 CO 0.07 -2.79 0.17 0.00 0.00 0.00 0.00 175.76 173.21 2ctf s ALA 33 N 7.55 -0.43 0.94 0.00 0.00 -1.24 -4.97 121.76 123.61 2ctf s ALA 33 Ca 0.85 0.38 -0.12 0.00 0.00 0.00 0.00 51.96 53.07 2ctf s ALA 33 Cb -0.25 -0.21 0.15 0.00 0.00 0.00 0.00 23.12 22.82 2ctf s ALA 33 CO 0.33 -0.11 1.09 -1.25 0.00 0.00 0.00 175.76 175.82 2ctf s PRO 34 N -0.22 0.90 -0.03 0.00 0.04 -1.26 -3.34 135.00 131.09 2ctf s PRO 34 Ca -0.03 0.70 0.07 0.00 0.04 0.00 0.00 61.00 61.78 2ctf s PRO 34 Cb -0.03 -1.78 -0.11 0.00 0.04 0.00 0.00 34.50 32.63 2ctf s PRO 34 CO 0.01 -2.45 0.13 -1.13 0.04 0.00 0.00 177.00 173.59 2ctf n SER 35 N -4.01 3.28 0.23 6.66 3.41 -1.26 -4.51 113.62 117.41 2ctf n SER 35 Ca 0.06 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.83 2ctf n SER 35 Cb 0.56 1.17 0.83 0.00 -0.26 0.00 0.00 64.21 66.51 2ctf n SER 35 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2ctf h TRP 36 N 0.00 0.00 -0.21 7.33 5.08 -1.98 -0.29 115.95 125.89 2ctf h TRP 36 Ca -0.05 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 59.81 2ctf h TRP 36 Cb 0.62 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.71 2ctf h TRP 36 CO 0.00 0.00 -0.27 1.47 -1.28 0.00 0.00 178.44 178.36 2ctf n LEU 37 N -2.56 3.53 0.14 0.11 -0.00 -1.26 -4.68 117.00 112.27 2ctf n LEU 37 Ca -0.02 -3.86 0.00 0.00 -0.00 0.00 0.00 56.01 52.13 2ctf n LEU 37 Cb 0.05 -0.59 0.30 0.00 -0.00 0.00 0.00 43.42 43.17 2ctf n LEU 37 CO 0.13 1.35 0.70 0.45 -0.00 0.00 0.00 177.39 180.02 2ctf h HIS 38 N 1.01 0.14 0.00 1.47 3.86 -1.30 1.00 115.15 121.34 2ctf h HIS 38 Ca 0.13 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 2ctf h HIS 38 Cb 1.37 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 29.80 2ctf h HIS 38 CO 0.93 0.49 -0.12 -0.09 0.86 0.00 0.00 177.93 179.99 2ctf h ARG 39 N 0.11 0.00 0.04 2.45 2.43 -1.83 -2.40 114.38 115.18 2ctf h ARG 39 Ca 0.01 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.81 2ctf h ARG 39 Cb 0.71 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.21 2ctf h ARG 39 CO 0.05 0.12 -2.19 1.19 -1.51 0.00 0.00 179.97 177.63 2ctf n PHE 40 N -3.26 0.53 0.25 2.20 3.72 -0.92 -3.03 117.46 116.95 2ctf n PHE 40 Ca 0.00 0.14 0.07 0.00 -0.05 0.00 0.00 57.45 57.62 2ctf n PHE 40 Cb 0.38 -1.06 0.60 0.00 -0.94 0.00 0.00 39.48 38.45 2ctf n PHE 40 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 2ctf h ILE 41 N -0.28 1.04 0.08 4.37 2.10 -0.84 -2.94 117.51 121.05 2ctf h ILE 41 Ca -0.52 -0.19 -0.24 0.00 1.08 0.00 0.00 64.86 64.98 2ctf h ILE 41 Cb 1.82 1.10 -0.01 0.00 -1.09 0.00 0.00 36.82 38.64 2ctf h ILE 41 CO -0.11 0.05 -1.26 0.40 -1.08 0.00 0.00 178.15 176.15 2ctf h ILE 42 N 0.00 1.06 0.00 2.19 2.04 -1.61 -3.40 117.51 117.79 2ctf h ILE 42 Ca -0.00 -2.34 0.00 0.00 1.00 0.00 0.00 64.86 63.52 2ctf h ILE 42 Cb 0.10 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 2ctf h ILE 42 CO 0.01 0.62 0.00 0.61 0.00 0.00 0.00 178.15 179.38 2ctf n GLY 43 N 1.67 2.61 0.44 5.37 0.00 -1.11 -2.77 105.19 111.39 2ctf n GLY 43 Ca -0.25 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.28 -1.28 1.61 1.57 -1.89 -2.49 116.57 113.81 2ctf h LYS 44 Ca 0.00 0.02 -0.61 0.00 -1.87 0.00 0.00 60.65 58.19 2ctf h LYS 44 Cb 0.00 0.06 -0.39 0.00 0.08 0.00 0.00 32.23 31.98 2ctf h LYS 44 CO 0.00 -0.19 -0.36 1.63 -0.57 0.00 0.00 179.45 179.96 2ctf n LYS 45 N -5.36 3.33 -3.46 3.15 5.02 -1.26 -4.96 118.16 114.62 2ctf n LYS 45 Ca -0.01 -4.15 -0.16 0.00 -2.02 0.00 0.00 58.31 51.97 2ctf n LYS 45 Cb 0.33 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.08 2ctf n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ctf n GLY 46 N -0.61 -1.18 0.19 0.72 0.00 -0.94 -4.95 105.19 98.42 2ctf n GLY 46 Ca 0.45 0.63 -0.16 0.00 0.00 0.00 0.00 46.02 46.94 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 -2.02 0.46 -0.17 1.61 6.02 -1.12 -3.86 117.38 118.31 2ctf n GLN 47 Ca -0.16 0.14 -0.09 0.00 -0.01 0.00 0.00 57.00 56.88 2ctf n GLN 47 Cb 0.61 -1.33 0.01 0.00 1.02 0.00 0.00 30.24 30.55 2ctf n GLN 47 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 2ctf h ASN 48 N -0.24 0.67 0.33 1.08 2.35 -1.81 -2.13 115.58 115.83 2ctf h ASN 48 Ca -0.46 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.09 2ctf h ASN 48 Cb 1.59 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.79 2ctf h ASN 48 CO -0.15 0.67 -0.16 -0.07 -1.65 0.00 0.00 177.43 176.08 2ctf h LEU 49 N 0.63 -0.37 -0.92 1.61 3.38 -1.78 -2.94 115.31 114.92 2ctf h LEU 49 Ca 0.16 -0.16 0.26 0.00 0.09 0.00 0.00 57.88 58.22 2ctf h LEU 49 Cb 0.22 0.10 -0.15 0.00 0.09 0.00 0.00 40.66 40.92 2ctf h LEU 49 CO -0.01 0.08 0.32 0.00 0.09 0.00 0.00 178.44 178.91 2ctf h ALA 50 N -0.61 1.45 0.82 1.53 0.00 -1.66 0.12 119.26 120.91 2ctf h ALA 50 Ca -0.04 0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2ctf h ALA 50 Cb 0.51 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.60 2ctf h ALA 50 CO 0.07 -0.50 -0.42 -0.22 0.00 0.00 0.00 179.25 178.18 2ctf h LYS 51 N 0.23 -1.09 0.16 0.00 1.63 -1.41 -1.79 116.57 114.29 2ctf h LYS 51 Ca 0.60 0.07 0.02 0.00 -0.85 0.00 0.00 60.65 60.49 2ctf h LYS 51 Cb 1.27 0.25 -0.04 0.00 -0.60 0.00 0.00 32.23 33.11 2ctf h LYS 51 CO -0.66 -0.73 -0.43 0.82 -3.45 0.00 0.00 179.45 175.01 2ctf h ILE 52 N -1.14 0.14 -0.77 2.00 2.04 -1.08 -0.03 117.51 118.68 2ctf h ILE 52 Ca -0.11 0.00 0.22 0.00 1.00 0.00 0.00 64.86 65.97 2ctf h ILE 52 Cb 0.88 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 2ctf h ILE 52 CO 0.17 0.00 0.74 0.71 0.00 0.00 0.00 178.15 179.77 2ctf h THR 53 N -0.69 0.29 -0.27 -0.27 1.35 -0.84 0.39 112.91 112.88 2ctf h THR 53 Ca 0.01 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 65.73 2ctf h THR 53 Cb 0.70 0.43 -0.00 0.00 -1.73 0.00 0.00 68.15 67.55 2ctf h THR 53 CO -0.23 0.00 -0.40 -0.61 -0.25 0.00 0.00 175.52 174.04 2ctf h GLN 54 N 0.00 0.75 -0.13 4.72 5.75 -0.08 -3.02 115.11 123.09 2ctf h GLN 54 Ca 0.37 -0.44 -0.16 0.00 -0.15 0.00 0.00 58.65 58.26 2ctf h GLN 54 Cb 1.84 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 30.42 2ctf h GLN 54 CO -0.00 1.07 -0.61 1.96 -2.65 0.00 0.00 178.83 178.59 2ctf h GLN 55 N 0.49 0.44 -3.11 1.69 7.50 0.02 -3.36 115.11 118.78 2ctf h GLN 55 Ca 0.03 -0.31 -0.63 0.00 0.50 0.00 0.00 58.65 58.24 2ctf h GLN 55 Cb 0.99 0.05 -0.41 0.00 0.05 0.00 0.00 27.48 28.15 2ctf h GLN 55 CO 0.09 0.92 -0.50 -1.64 -1.50 0.00 0.00 178.83 176.20 2ctf s MET 56 N -3.84 2.59 0.00 1.46 -1.94 -0.58 -4.90 119.30 112.09 2ctf s MET 56 Ca -0.06 -3.35 0.15 0.00 -1.71 0.00 0.00 55.69 50.72 2ctf s MET 56 Cb 0.11 -3.50 0.88 0.00 2.01 0.00 0.00 34.83 34.33 2ctf s MET 56 CO 0.83 -1.28 1.36 -0.35 -0.01 0.00 0.00 175.02 175.57 2ctf n PRO 57 N 2.00 0.41 -0.00 2.03 -0.04 -1.15 -2.02 135.00 136.22 2ctf n PRO 57 Ca 0.20 0.04 0.05 0.00 -0.04 0.00 0.00 63.50 63.76 2ctf n PRO 57 Cb 0.35 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.24 2ctf n PRO 57 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2ctf n LYS 58 N -1.08 1.24 -3.06 0.54 5.02 -1.26 -4.96 118.16 114.60 2ctf n LYS 58 Ca 0.10 -0.07 -0.40 0.00 -2.02 0.00 0.00 58.31 55.92 2ctf n LYS 58 Cb 0.07 -1.18 -0.05 0.00 -0.02 0.00 0.00 35.03 33.85 2ctf n LYS 58 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2ctf s VAL 59 N -2.53 4.98 -0.37 -0.18 1.01 -0.86 -4.55 120.40 117.90 2ctf s VAL 59 Ca -0.02 1.30 -0.16 0.00 0.00 0.00 0.00 61.98 63.10 2ctf s VAL 59 Cb 0.07 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.46 2ctf s VAL 59 CO 0.44 0.08 0.41 -1.00 0.00 0.00 0.00 175.10 175.03 2ctf s HIS 60 N 2.02 3.19 -0.24 5.22 3.76 -0.88 -4.92 115.29 123.45 2ctf s HIS 60 Ca 0.31 -0.11 -0.17 0.00 -0.15 0.00 0.00 55.06 54.94 2ctf s HIS 60 Cb -0.16 -2.78 -0.03 0.00 1.11 0.00 0.00 32.58 30.72 2ctf s HIS 60 CO 0.11 -0.54 0.44 0.42 -0.85 0.00 0.00 174.74 174.32 2ctf s ILE 61 N 2.11 5.14 0.05 0.60 1.01 -1.26 -2.92 121.20 125.92 2ctf s ILE 61 Ca 0.13 0.75 0.07 0.00 0.00 0.00 0.00 60.65 61.61 2ctf s ILE 61 Cb -0.17 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 2ctf s ILE 61 CO 0.13 0.16 -0.21 -0.70 0.00 0.00 0.00 174.94 174.31 2ctf s GLU 62 N 1.92 1.38 -0.04 2.79 2.12 -0.89 -5.00 118.70 120.97 2ctf s GLU 62 Ca 0.19 -0.97 0.05 0.00 0.36 0.00 0.00 54.97 54.60 2ctf s GLU 62 Cb -0.15 -1.51 -0.02 0.00 0.26 0.00 0.00 34.13 32.70 2ctf s GLU 62 CO 0.09 0.38 -0.17 -0.06 -0.54 0.00 0.00 175.26 174.96 2ctf s PHE 63 N -0.84 2.62 -0.01 5.30 0.08 -1.26 -1.91 117.98 121.96 2ctf s PHE 63 Ca 0.07 -0.24 0.05 0.00 0.12 0.00 0.00 56.93 56.93 2ctf s PHE 63 Cb -0.09 -1.60 -0.03 0.00 -0.57 0.00 0.00 43.02 40.73 2ctf s PHE 63 CO 0.02 0.12 -0.14 0.95 -0.10 0.00 0.00 175.22 176.07 2ctf s THR 64 N -0.67 3.10 -0.11 0.64 -4.23 -1.05 -5.02 115.64 108.29 2ctf s THR 64 Ca 0.10 -0.87 -0.11 0.00 -1.18 0.00 0.00 61.69 59.63 2ctf s THR 64 Cb -0.11 -2.27 -0.26 0.00 1.34 0.00 0.00 72.50 71.20 2ctf s THR 64 CO 0.00 0.48 0.44 1.05 -0.54 0.00 0.00 174.62 176.05 2ctf h GLU 65 N 4.94 0.25 0.05 3.99 4.11 -1.98 -3.28 114.58 122.66 2ctf h GLU 65 Ca -0.47 -0.43 -0.28 0.00 0.07 0.00 0.00 59.36 58.25 2ctf h GLU 65 Cb 1.16 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 2ctf h GLU 65 CO 0.50 1.21 -1.54 0.78 0.07 0.00 0.00 179.01 180.03 2ctf h GLY 66 N 0.53 0.12 2.00 1.06 0.00 -1.98 -3.35 103.07 101.45 2ctf h GLY 66 Ca -0.38 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.64 2ctf h GLY 66 CO 0.06 0.28 0.00 0.83 0.00 0.00 0.00 176.54 177.71 2ctf h GLU 67 N -0.58 0.00 -6.58 4.80 4.39 -1.99 -3.46 114.58 111.15 2ctf h GLU 67 Ca -0.38 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 58.81 2ctf h GLU 67 Cb 1.59 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.20 2ctf h GLU 67 CO -0.09 0.00 -0.93 -0.25 -1.16 0.00 0.00 179.01 176.58 2ctf n ASP 68 N -2.84 -1.59 -3.76 1.42 8.00 -1.23 -4.95 116.55 111.59 2ctf n ASP 68 Ca -0.01 -1.09 -0.09 0.00 0.71 0.00 0.00 54.79 54.31 2ctf n ASP 68 Cb 0.16 -2.73 -0.03 0.00 -0.02 0.00 0.00 41.12 38.49 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 -6.67 1.50 -0.17 -1.24 -2.85 -1.21 -3.71 119.74 105.39 2ctf s LYS 69 Ca 0.16 -0.89 -0.03 0.00 -1.00 0.00 0.00 55.97 54.21 2ctf s LYS 69 Cb -0.07 0.55 -0.02 0.00 -2.06 0.00 0.00 37.83 36.23 2ctf s LYS 69 CO 0.91 -0.65 -0.06 0.42 0.10 0.00 0.00 175.35 176.07 2ctf s ILE 70 N -3.89 3.53 -0.13 3.79 1.01 -0.60 -2.52 121.20 122.39 2ctf s ILE 70 Ca 0.10 -0.47 -0.13 0.00 0.00 0.00 0.00 60.65 60.15 2ctf s ILE 70 Cb -0.02 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.85 2ctf s ILE 70 CO -0.00 0.48 0.28 -0.89 0.00 0.00 0.00 174.94 174.81 2ctf s THR 71 N 0.71 5.29 -0.08 2.92 2.01 -0.80 0.01 115.64 125.70 2ctf s THR 71 Ca -0.03 0.53 0.05 0.00 0.31 0.00 0.00 61.69 62.55 2ctf s THR 71 Cb -0.15 -3.60 -0.00 0.00 0.01 0.00 0.00 72.50 68.76 2ctf s THR 71 CO 0.02 0.47 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.42 2ctf s LEU 72 N -0.08 2.07 -0.11 4.42 2.01 0.14 -2.09 118.68 125.04 2ctf s LEU 72 Ca 0.17 -0.53 0.03 0.00 0.01 0.00 0.00 54.13 53.81 2ctf s LEU 72 Cb -0.13 -1.37 0.01 0.00 0.01 0.00 0.00 46.19 44.71 2ctf s LEU 72 CO 0.05 0.19 -0.18 -1.61 1.01 0.00 0.00 176.35 175.81 2ctf s GLU 73 N 0.13 2.50 0.00 1.70 2.02 -1.15 -1.54 118.70 122.36 2ctf s GLU 73 Ca -0.12 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.20 2ctf s GLU 73 Cb -0.16 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.05 2ctf s GLU 73 CO 0.06 0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.77 2ctf n GLY 74 N 3.95 -0.84 3.73 -1.39 0.00 -0.65 -2.06 105.19 107.93 2ctf n GLY 74 Ca -0.20 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.86 4.37 0.57 1.61 0.04 -1.26 -0.26 135.00 138.21 2ctf s PRO 75 Ca 0.00 2.04 0.40 0.00 0.04 0.00 0.00 61.00 63.48 2ctf s PRO 75 Cb 0.00 -3.22 1.48 0.00 0.04 0.00 0.00 34.50 32.80 2ctf s PRO 75 CO 0.00 -0.30 1.58 0.00 0.04 0.00 0.00 177.00 178.32 2ctf h THR 76 N 3.94 0.12 -0.29 1.26 1.03 -1.83 0.73 112.91 117.86 2ctf h THR 76 Ca -0.44 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 65.95 2ctf h THR 76 Cb 1.21 0.14 -0.01 0.00 -1.07 0.00 0.00 68.15 68.42 2ctf h THR 76 CO 0.80 0.00 0.12 1.05 -0.01 0.00 0.00 175.52 177.48 2ctf h GLU 77 N 0.00 0.43 0.10 0.00 4.11 -1.96 -1.83 114.58 115.44 2ctf h GLU 77 Ca 0.69 -0.07 -0.23 0.00 0.07 0.00 0.00 59.36 59.82 2ctf h GLU 77 Cb 3.05 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 32.23 2ctf h GLU 77 CO -0.01 0.44 -1.15 -0.44 0.07 0.00 0.00 179.01 177.92 2ctf h ASP 78 N 0.33 0.34 -0.79 3.06 5.19 -0.05 -3.33 116.42 121.18 2ctf h ASP 78 Ca 0.10 -0.86 0.22 0.00 -0.62 0.00 0.00 57.03 55.87 2ctf h ASP 78 Cb 0.16 -0.11 -0.04 0.00 0.18 0.00 0.00 39.33 39.53 2ctf h ASP 78 CO -0.01 1.51 0.56 0.58 -3.12 0.00 0.00 179.24 178.76 2ctf h VAL 79 N -0.43 0.63 0.00 -1.35 2.07 -0.80 0.49 116.25 116.86 2ctf h VAL 79 Ca -0.25 -0.02 -0.10 0.00 0.82 0.00 0.00 66.70 67.15 2ctf h VAL 79 Cb 1.64 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 2ctf h VAL 79 CO 0.06 0.01 -0.48 -1.28 0.02 0.00 0.00 177.57 175.90 2ctf h SER 80 N 0.06 0.00 0.00 0.57 0.87 -1.44 -2.05 113.55 111.56 2ctf h SER 80 Ca 0.38 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.92 2ctf h SER 80 Cb 1.42 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.38 2ctf h SER 80 CO -0.03 0.48 -0.24 0.58 -0.53 0.00 0.00 176.83 177.09 2ctf h VAL 81 N 0.00 0.46 -0.47 2.23 2.07 -0.20 -3.01 116.25 117.32 2ctf h VAL 81 Ca -0.00 -1.39 0.07 0.00 0.82 0.00 0.00 66.70 66.19 2ctf h VAL 81 Cb 0.99 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 2ctf h VAL 81 CO 0.06 0.15 0.13 0.00 0.02 0.00 0.00 177.57 177.94 2ctf h ALA 82 N -0.75 0.55 -0.89 1.67 0.00 -1.25 0.58 119.26 119.17 2ctf h ALA 82 Ca -0.04 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2ctf h ALA 82 Cb 0.45 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2ctf h ALA 82 CO -0.02 -0.27 0.49 -0.56 0.00 0.00 0.00 179.25 178.88 2ctf h GLN 83 N 0.28 1.24 -0.27 0.00 3.07 -1.54 -2.04 115.11 115.85 2ctf h GLN 83 Ca 0.23 -0.14 -0.10 0.00 0.09 0.00 0.00 58.65 58.73 2ctf h GLN 83 Cb 0.27 -0.24 -0.01 0.00 0.08 0.00 0.00 27.48 27.58 2ctf h GLN 83 CO -0.27 0.90 -0.25 0.93 0.09 0.00 0.00 178.83 180.23 2ctf h GLU 84 N 1.24 0.51 0.17 0.06 5.08 -1.16 -2.25 114.58 118.24 2ctf h GLU 84 Ca 0.31 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2ctf h GLU 84 Cb 0.03 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2ctf h GLU 84 CO -0.05 0.73 -0.08 1.96 -1.00 0.00 0.00 179.01 180.56 2ctf h GLN 85 N 0.45 -0.22 -0.79 2.33 1.08 -0.34 -2.41 115.11 115.20 2ctf h GLN 85 Ca 0.06 0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.31 2ctf h GLN 85 Cb 0.68 0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 28.12 2ctf h GLN 85 CO 0.05 0.05 0.50 0.82 -0.95 0.00 0.00 178.83 179.30 2ctf h ILE 86 N -0.48 1.11 -0.73 2.54 2.04 -1.36 -2.25 117.51 118.38 2ctf h ILE 86 Ca -0.02 -0.33 0.05 0.00 1.00 0.00 0.00 64.86 65.56 2ctf h ILE 86 Cb 0.37 0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.45 2ctf h ILE 86 CO 0.04 0.18 0.43 -0.33 0.00 0.00 0.00 178.15 178.46 2ctf h GLU 87 N 0.97 0.77 -0.89 2.37 4.39 -1.34 0.10 114.58 120.95 2ctf h GLU 87 Ca 0.32 -0.05 0.08 0.00 0.34 0.00 0.00 59.36 60.05 2ctf h GLU 87 Cb 0.02 -0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 28.43 2ctf h GLU 87 CO -0.12 0.51 0.55 0.78 -1.16 0.00 0.00 179.01 179.57 2ctf h GLY 88 N 0.80 1.38 2.00 -3.84 0.00 -0.88 -1.20 103.07 101.32 2ctf h GLY 88 Ca 0.32 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 47.16 2ctf h GLY 88 CO -0.17 0.22 -0.48 0.00 0.00 0.00 0.00 176.54 176.12 2ctf h MET 89 N 0.96 0.00 0.32 4.80 -0.00 -1.25 -2.96 114.93 116.80 2ctf h MET 89 Ca 0.41 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 60.09 2ctf h MET 89 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.87 2ctf h MET 89 CO -0.21 0.48 -0.15 0.28 -0.00 0.00 0.00 176.91 177.31 2ctf h VAL 90 N 0.00 0.67 -0.10 -0.10 2.07 0.31 -0.12 116.25 118.98 2ctf h VAL 90 Ca -0.00 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 2ctf h VAL 90 Cb 1.37 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 2ctf h VAL 90 CO 0.06 0.11 0.04 0.07 0.02 0.00 0.00 177.57 177.87 2ctf h LYS 91 N -0.76 0.15 -0.86 1.57 2.10 -1.41 -2.54 116.57 114.82 2ctf h LYS 91 Ca -0.04 -0.03 0.05 0.00 -2.00 0.00 0.00 60.65 58.63 2ctf h LYS 91 Cb 0.51 -0.02 -0.06 0.00 -0.90 0.00 0.00 32.23 31.76 2ctf h LYS 91 CO 0.07 0.27 0.54 0.22 -2.00 0.00 0.00 179.45 178.56 2ctf h ASP 92 N -0.01 0.88 0.34 7.07 3.58 -1.59 0.13 116.42 126.82 2ctf h ASP 92 Ca 0.03 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 2ctf h ASP 92 Cb 0.18 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 2ctf h ASP 92 CO -0.00 0.58 -0.31 -0.07 -2.88 0.00 0.00 179.24 176.56 2ctf h LEU 93 N 1.02 -0.84 -0.57 2.28 3.38 -0.82 0.12 115.31 119.88 2ctf h LEU 93 Ca 0.36 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.37 2ctf h LEU 93 Cb 0.10 0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2ctf h LEU 93 CO -0.15 -0.45 0.25 0.40 0.09 0.00 0.00 178.44 178.58 2ctf h ILE 94 N -0.67 1.21 -0.72 1.22 2.04 -1.19 -2.83 117.51 116.57 2ctf h ILE 94 Ca -0.02 -0.64 0.05 0.00 1.00 0.00 0.00 64.86 65.25 2ctf h ILE 94 Cb 0.60 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 2ctf h ILE 94 CO -0.04 0.25 0.43 0.78 0.00 0.00 0.00 178.15 179.57 2ctf h ASN 95 N 0.77 0.68 -0.66 1.72 2.35 -0.52 -2.19 115.58 117.72 2ctf h ASN 95 Ca 0.19 0.01 0.14 0.00 -0.55 0.00 0.00 56.30 56.09 2ctf h ASN 95 Cb 0.16 -0.13 -0.10 0.00 0.05 0.00 0.00 38.32 38.30 2ctf h ASN 95 CO -0.02 0.45 0.11 0.03 -1.65 0.00 0.00 177.43 176.35 2ctf h ARG 96 N 0.81 0.21 0.70 0.81 3.08 -0.51 -2.66 114.38 116.82 2ctf h ARG 96 Ca 0.31 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.31 2ctf h ARG 96 Cb 0.11 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.12 2ctf h ARG 96 CO -0.15 0.14 -0.34 1.03 -1.07 0.00 0.00 179.97 179.58 2ctf h SER 97 N 0.22 -0.79 0.00 7.04 0.87 -1.40 -3.48 113.55 116.00 2ctf h SER 97 Ca 0.36 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 2ctf h SER 97 Cb 0.59 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 2ctf h SER 97 CO -0.49 -0.42 0.00 0.61 -0.53 0.00 0.00 176.83 176.00 2ctf n GLY 98 N -0.71 1.73 0.22 5.77 0.00 -0.88 -5.02 105.19 106.29 2ctf n GLY 98 Ca -0.12 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 45.86 2ctf n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctf h PRO 99 N 0.00 0.00 -0.91 1.61 0.13 -1.82 -3.30 132.00 127.71 2ctf h PRO 99 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.22 2ctf h PRO 99 Cb 0.00 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.01 2ctf h PRO 99 CO 0.00 0.27 -0.51 0.45 -0.23 0.00 0.00 178.00 177.99 2ctf n SER 100 N -3.58 -0.90 -4.13 1.44 2.88 -1.26 -4.14 113.62 103.94 2ctf n SER 100 Ca -0.01 1.61 -0.32 0.00 -1.33 0.00 0.00 58.87 58.82 2ctf n SER 100 Cb 0.41 -0.23 -0.16 0.00 -0.75 0.00 0.00 64.21 63.47 2ctf n SER 100 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2ctf s SER 101 N -5.43 3.00 0.00 -3.46 1.04 -1.24 -5.25 113.70 102.35 2ctf s SER 101 Ca -0.11 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.73 2ctf s SER 101 Cb 0.11 -1.39 0.00 0.00 0.10 0.00 0.00 66.02 64.85 2ctf s SER 101 CO 0.58 0.04 0.00 0.61 0.98 0.00 0.00 173.24 175.44