#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 1.46 -3.31 1.61 7.64 -1.26 -5.02 113.62 114.74 2ctf n SER 2 Ca 0.00 0.28 -0.21 0.00 1.01 0.00 0.00 58.87 59.95 2ctf n SER 2 Cb 0.00 -0.69 0.08 0.00 -1.01 0.00 0.00 64.21 62.58 2ctf n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2ctf n SER 3 N -3.99 -5.17 -4.43 6.43 7.64 -1.26 -5.01 113.62 107.83 2ctf n SER 3 Ca -0.10 -0.51 -0.21 0.00 1.01 0.00 0.00 58.87 59.06 2ctf n SER 3 Cb 0.37 -4.66 -0.10 0.00 -1.01 0.00 0.00 64.21 58.80 2ctf n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ctf s GLY 4 N -3.50 1.93 0.09 0.23 0.00 -1.26 -5.16 107.32 99.65 2ctf s GLY 4 Ca 0.42 -1.97 -0.25 0.00 0.00 0.00 0.00 44.72 42.92 2ctf s GLY 4 CO 0.67 -1.81 0.60 -0.56 0.00 0.00 0.00 173.10 172.00 2ctf s SER 5 N -3.45 -0.56 0.15 1.64 0.01 -1.26 -5.19 113.70 105.04 2ctf s SER 5 Ca 0.33 0.20 -0.01 0.00 1.31 0.00 0.00 55.95 57.78 2ctf s SER 5 Cb 0.07 0.56 -0.04 0.00 0.21 0.00 0.00 66.02 66.82 2ctf s SER 5 CO 0.13 -0.84 0.09 -0.55 0.41 0.00 0.00 173.24 172.48 2ctf s SER 6 N -2.23 0.25 0.00 2.44 0.15 -1.26 -5.16 113.70 107.89 2ctf s SER 6 Ca -0.03 -1.25 0.00 0.00 0.70 0.00 0.00 55.95 55.37 2ctf s SER 6 Cb -0.01 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2ctf s SER 6 CO -0.05 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.23 2ctf n GLY 7 N -0.15 3.08 3.08 9.45 0.00 -1.26 -5.15 105.19 114.24 2ctf n GLY 7 Ca -0.03 -1.14 -0.19 0.00 0.00 0.00 0.00 46.02 44.65 2ctf n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ctf s GLU 8 N -2.17 0.85 0.00 1.61 0.41 -1.26 -5.16 118.70 112.98 2ctf s GLU 8 Ca 0.00 -0.53 0.00 0.00 -0.41 0.00 0.00 54.97 54.03 2ctf s GLU 8 Cb 0.00 -0.82 0.00 0.00 -1.78 0.00 0.00 34.13 31.53 2ctf s GLU 8 CO 0.00 0.21 0.00 -0.35 -0.49 0.00 0.00 175.26 174.63 2ctf n PRO 9 N 2.42 -0.85 -3.71 0.39 -0.04 -1.26 -5.09 135.00 126.85 2ctf n PRO 9 Ca -0.16 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.19 2ctf n PRO 9 Cb 0.56 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.90 2ctf n PRO 9 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2ctf s GLU 10 N -2.75 0.29 -0.12 0.54 2.12 -1.26 -5.15 118.70 112.37 2ctf s GLU 10 Ca 0.00 0.65 0.02 0.00 0.36 0.00 0.00 54.97 56.00 2ctf s GLU 10 Cb 0.00 -0.08 -0.00 0.00 0.26 0.00 0.00 34.13 34.31 2ctf s GLU 10 CO 0.00 -0.16 -0.19 0.15 -0.54 0.00 0.00 175.26 174.52 2ctf s LYS 11 N 1.33 3.19 0.15 4.30 1.02 -1.26 -5.12 119.74 123.35 2ctf s LYS 11 Ca -0.09 -0.79 -0.12 0.00 0.02 0.00 0.00 55.97 54.98 2ctf s LYS 11 Cb -0.09 -2.47 0.01 0.00 -0.52 0.00 0.00 37.83 34.75 2ctf s LYS 11 CO -0.11 0.15 0.34 -0.51 -0.92 0.00 0.00 175.35 174.31 2ctf s LEU 12 N 0.45 0.74 0.00 3.17 1.43 -1.26 -5.12 118.68 118.09 2ctf s LEU 12 Ca -0.13 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 2ctf s LEU 12 Cb -0.17 1.49 0.00 0.00 0.03 0.00 0.00 46.19 47.54 2ctf s LEU 12 CO 0.06 -0.90 0.00 0.61 0.23 0.00 0.00 176.35 176.35 2ctf n GLY 13 N -0.22 -1.19 3.21 -3.19 0.00 -1.26 -5.17 105.19 97.37 2ctf n GLY 13 Ca -0.11 0.62 -0.29 0.00 0.00 0.00 0.00 46.02 46.24 2ctf n GLY 13 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ctf s GLN 14 N 0.00 2.16 -0.11 1.61 -0.21 -1.26 -5.13 119.66 116.73 2ctf s GLN 14 Ca 0.00 -0.77 -0.30 0.00 0.02 0.00 0.00 55.36 54.31 2ctf s GLN 14 Cb 0.00 -1.87 0.09 0.00 1.00 0.00 0.00 33.01 32.23 2ctf s GLN 14 CO 0.00 0.33 0.80 0.00 -2.12 0.00 0.00 175.29 174.29 2ctf s ALA 15 N -0.10 -1.83 -0.02 6.09 0.00 -1.26 -5.18 121.76 119.46 2ctf s ALA 15 Ca -0.03 1.46 -0.07 0.00 0.00 0.00 0.00 51.96 53.33 2ctf s ALA 15 Cb -0.12 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.66 2ctf s ALA 15 CO 0.03 -0.34 0.15 -0.48 0.00 0.00 0.00 175.76 175.11 2ctf s LEU 16 N -1.03 1.48 0.39 0.00 2.34 -1.26 -5.17 118.68 115.43 2ctf s LEU 16 Ca -0.07 -0.03 0.07 0.00 0.06 0.00 0.00 54.13 54.16 2ctf s LEU 16 Cb -0.01 0.65 -0.08 0.00 -0.56 0.00 0.00 46.19 46.20 2ctf s LEU 16 CO 0.06 -0.27 0.01 0.42 -1.06 0.00 0.00 176.35 175.51 2ctf s THR 17 N -0.91 1.89 -0.30 5.48 -4.23 -1.26 -5.14 115.64 111.16 2ctf s THR 17 Ca -0.10 -2.01 -0.15 0.00 -1.18 0.00 0.00 61.69 58.25 2ctf s THR 17 Cb -0.06 -2.95 0.18 0.00 1.34 0.00 0.00 72.50 71.02 2ctf s THR 17 CO 0.01 -0.01 1.08 -1.83 -0.54 0.00 0.00 174.62 173.33 2ctf s GLU 18 N -3.73 0.19 0.38 3.99 4.04 -1.26 -5.18 118.70 117.14 2ctf s GLU 18 Ca 0.35 0.43 0.07 0.00 0.04 0.00 0.00 54.97 55.86 2ctf s GLU 18 Cb 0.09 0.25 -0.00 0.00 0.02 0.00 0.00 34.13 34.49 2ctf s GLU 18 CO 0.17 -0.12 0.51 0.14 -1.84 0.00 0.00 175.26 174.12 2ctf s VAL 19 N 2.56 3.40 0.25 1.83 -7.23 -1.26 -5.14 120.40 114.81 2ctf s VAL 19 Ca -0.01 -1.04 -0.10 0.00 -1.81 0.00 0.00 61.98 59.02 2ctf s VAL 19 Cb -0.07 -3.16 -0.01 0.00 0.56 0.00 0.00 36.38 33.70 2ctf s VAL 19 CO -0.15 -0.07 0.41 -0.72 -0.31 0.00 0.00 175.10 174.27 2ctf s TYR 20 N -2.29 0.56 -0.28 2.82 1.13 -1.26 -5.18 117.35 112.86 2ctf s TYR 20 Ca 0.50 -0.89 -0.25 0.00 -1.41 0.00 0.00 57.07 55.02 2ctf s TYR 20 Cb -0.09 0.03 0.10 0.00 -1.10 0.00 0.00 41.96 40.90 2ctf s TYR 20 CO 0.32 -0.94 0.89 0.00 -2.51 0.00 0.00 175.55 173.31 2ctf s ALA 21 N -3.97 -1.89 -0.04 9.51 0.00 -1.26 -5.16 121.76 118.95 2ctf s ALA 21 Ca 0.26 1.96 0.00 0.00 0.00 0.00 0.00 51.96 54.19 2ctf s ALA 21 Cb 0.01 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.82 2ctf s ALA 21 CO 0.10 -0.29 -0.02 0.15 0.00 0.00 0.00 175.76 175.71 2ctf s LYS 22 N 0.34 0.57 0.10 0.00 3.01 -1.26 -5.11 119.74 117.39 2ctf s LYS 22 Ca 0.01 0.00 -0.33 0.00 -1.01 0.00 0.00 55.97 54.64 2ctf s LYS 22 Cb -0.05 -0.70 -0.18 0.00 -1.01 0.00 0.00 37.83 35.89 2ctf s LYS 22 CO -0.04 -0.13 0.77 0.00 0.51 0.00 0.00 175.35 176.47 2ctf n ALA 23 N 4.23 -3.20 -2.74 5.17 0.00 -1.26 -4.95 120.51 117.76 2ctf n ALA 23 Ca -0.23 0.51 -0.22 0.00 0.00 0.00 0.00 53.44 53.49 2ctf n ALA 23 Cb 0.51 -1.64 -0.05 0.00 0.00 0.00 0.00 19.45 18.26 2ctf n ALA 23 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2ctf s ASN 24 N -0.49 5.23 0.07 0.00 0.02 -1.26 -5.14 114.94 113.37 2ctf s ASN 24 Ca 0.75 -0.39 0.02 0.00 -1.02 0.00 0.00 52.86 52.22 2ctf s ASN 24 Cb -1.07 -1.20 -0.03 0.00 0.02 0.00 0.00 41.25 38.96 2ctf s ASN 24 CO 0.55 -0.07 -0.07 -0.55 0.02 0.00 0.00 177.10 176.99 2ctf s SER 25 N -3.81 0.97 -0.21 -1.22 0.15 -1.26 -5.12 113.70 103.19 2ctf s SER 25 Ca 0.33 -0.82 -0.29 0.00 0.70 0.00 0.00 55.95 55.87 2ctf s SER 25 Cb -0.07 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 2ctf s SER 25 CO 0.24 -0.37 1.10 0.12 1.20 0.00 0.00 173.24 175.52 2ctf s PHE 26 N -2.76 3.21 -0.16 3.44 2.19 -1.26 -4.28 117.98 118.36 2ctf s PHE 26 Ca 0.03 1.34 0.01 0.00 0.33 0.00 0.00 56.93 58.65 2ctf s PHE 26 Cb -0.01 -3.33 0.01 0.00 -1.31 0.00 0.00 43.02 38.38 2ctf s PHE 26 CO -0.03 -0.81 -0.20 0.99 1.83 0.00 0.00 175.22 177.00 2ctf s THR 27 N 3.25 2.16 -0.27 0.12 2.01 0.15 -4.95 115.64 118.10 2ctf s THR 27 Ca 0.47 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.55 2ctf s THR 27 Cb -0.17 -1.89 0.05 0.00 0.01 0.00 0.00 72.50 70.50 2ctf s THR 27 CO 0.09 0.54 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.80 2ctf s VAL 28 N 1.06 2.61 0.17 3.82 1.01 -1.26 -1.46 120.40 126.35 2ctf s VAL 28 Ca -0.01 -1.42 0.09 0.00 0.00 0.00 0.00 61.98 60.65 2ctf s VAL 28 Cb -0.14 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 2ctf s VAL 28 CO -0.07 -0.01 -0.21 -0.44 0.00 0.00 0.00 175.10 174.37 2ctf s SER 29 N 1.20 2.92 0.16 3.32 0.01 -0.51 -4.95 113.70 115.85 2ctf s SER 29 Ca -0.06 -0.84 0.08 0.00 1.31 0.00 0.00 55.95 56.44 2ctf s SER 29 Cb -0.19 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 2ctf s SER 29 CO -0.04 0.03 -0.08 -0.94 0.41 0.00 0.00 173.24 172.63 2ctf s SER 30 N -2.57 4.37 -0.14 2.44 1.04 -1.26 0.20 113.70 117.79 2ctf s SER 30 Ca 0.16 -0.51 0.01 0.00 0.48 0.00 0.00 55.95 56.09 2ctf s SER 30 Cb -0.07 -0.80 0.02 0.00 0.10 0.00 0.00 66.02 65.28 2ctf s SER 30 CO 0.07 0.11 -0.14 -0.69 0.98 0.00 0.00 173.24 173.58 2ctf s VAL 31 N -1.62 1.54 -0.35 5.02 1.01 0.78 -4.95 120.40 121.84 2ctf s VAL 31 Ca 0.25 -0.63 -0.27 0.00 0.00 0.00 0.00 61.98 61.33 2ctf s VAL 31 Cb -0.09 -1.44 -0.06 0.00 0.00 0.00 0.00 36.38 34.78 2ctf s VAL 31 CO 0.15 0.45 2.32 0.00 0.00 0.00 0.00 175.10 178.03 2ctf n ALA 32 N 4.65 1.31 -2.94 5.51 0.00 -1.26 -1.41 120.51 126.37 2ctf n ALA 32 Ca -0.17 -0.57 -0.11 0.00 0.00 0.00 0.00 53.44 52.59 2ctf n ALA 32 Cb 0.50 -3.05 -0.13 0.00 0.00 0.00 0.00 19.45 16.78 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 10.13 -0.08 1.15 0.00 0.00 -1.24 -4.96 121.76 126.76 2ctf s ALA 33 Ca 1.00 -0.05 -0.17 0.00 0.00 0.00 0.00 51.96 52.74 2ctf s ALA 33 Cb -0.28 -0.01 0.26 0.00 0.00 0.00 0.00 23.12 23.09 2ctf s ALA 33 CO 0.31 -0.06 1.11 -1.25 0.00 0.00 0.00 175.76 175.87 2ctf s PRO 34 N -0.40 -0.80 0.00 0.00 0.04 -1.26 -3.31 135.00 129.26 2ctf s PRO 34 Ca -0.04 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.07 2ctf s PRO 34 Cb -0.03 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.88 2ctf s PRO 34 CO -0.00 -3.46 0.00 -1.13 0.04 0.00 0.00 177.00 172.45 2ctf n SER 35 N -4.61 1.75 0.13 6.66 3.41 -1.26 -4.62 113.62 115.08 2ctf n SER 35 Ca 0.11 -0.29 0.12 0.00 -0.26 0.00 0.00 58.87 58.55 2ctf n SER 35 Cb 0.59 0.93 0.48 0.00 -0.26 0.00 0.00 64.21 65.95 2ctf n SER 35 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 2ctf n TRP 36 N -1.11 0.84 -1.56 7.33 4.27 -1.26 -2.53 117.44 123.43 2ctf n TRP 36 Ca 0.00 0.32 -0.01 0.00 -3.89 0.00 0.00 57.50 53.92 2ctf n TRP 36 Cb 0.00 -1.01 0.19 0.00 -1.36 0.00 0.00 31.31 29.13 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 -2.25 3.54 -0.03 5.67 -0.00 -1.26 -4.70 117.00 117.96 2ctf n LEU 37 Ca 0.02 -3.90 -0.06 0.00 -0.00 0.00 0.00 56.01 52.07 2ctf n LEU 37 Cb 0.25 -0.58 0.13 0.00 -0.00 0.00 0.00 43.42 43.23 2ctf n LEU 37 CO 0.21 1.38 0.69 0.45 -0.00 0.00 0.00 177.39 180.12 2ctf h HIS 38 N 1.07 0.71 0.00 1.47 3.86 -1.77 0.16 115.15 120.65 2ctf h HIS 38 Ca 0.13 -0.17 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 2ctf h HIS 38 Cb 1.34 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 29.63 2ctf h HIS 38 CO 0.91 0.84 -0.11 0.00 0.86 0.00 0.00 177.93 180.43 2ctf h ARG 39 N 0.54 0.00 0.02 2.45 3.08 -1.85 -2.12 114.38 116.51 2ctf h ARG 39 Ca 0.07 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.78 2ctf h ARG 39 Cb 0.75 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.76 2ctf h ARG 39 CO 0.06 0.11 -1.91 1.19 -1.07 0.00 0.00 179.97 178.35 2ctf n PHE 40 N -3.37 0.67 -0.15 3.04 3.72 -0.98 -3.00 117.46 117.39 2ctf n PHE 40 Ca -0.01 0.23 0.10 0.00 -0.05 0.00 0.00 57.45 57.72 2ctf n PHE 40 Cb 0.29 -1.07 0.42 0.00 -0.94 0.00 0.00 39.48 38.17 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 -0.68 0.94 0.08 4.37 2.10 -0.68 -2.66 117.51 120.98 2ctf h ILE 41 Ca -0.49 -0.21 -0.13 0.00 1.08 0.00 0.00 64.86 65.12 2ctf h ILE 41 Cb 1.60 0.29 0.01 0.00 -1.09 0.00 0.00 36.82 37.63 2ctf h ILE 41 CO -0.20 0.11 -0.58 0.40 -1.08 0.00 0.00 178.15 176.80 2ctf h ILE 42 N 0.60 1.55 0.00 2.19 2.04 -1.57 -3.41 117.51 118.91 2ctf h ILE 42 Ca 0.32 -2.44 0.00 0.00 1.00 0.00 0.00 64.86 63.74 2ctf h ILE 42 Cb 0.44 3.19 0.00 0.00 -0.74 0.00 0.00 36.82 39.71 2ctf h ILE 42 CO -0.11 0.66 0.00 0.61 0.00 0.00 0.00 178.15 179.31 2ctf n GLY 43 N 1.64 0.01 3.75 5.37 0.00 -1.01 -2.47 105.19 112.48 2ctf n GLY 43 Ca -0.14 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.59 2ctf n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ctf s LYS 44 N -1.42 4.74 -1.67 1.61 1.02 -1.26 -3.66 119.74 119.10 2ctf s LYS 44 Ca 0.00 1.58 -0.15 0.00 0.02 0.00 0.00 55.97 57.42 2ctf s LYS 44 Cb 0.00 -3.28 0.13 0.00 -0.52 0.00 0.00 37.83 34.16 2ctf s LYS 44 CO 0.00 0.33 0.64 1.63 -0.92 0.00 0.00 175.35 177.02 2ctf n LYS 45 N 1.85 -2.65 -3.04 1.68 4.76 -1.26 -3.24 118.16 116.27 2ctf n LYS 45 Ca -0.00 0.32 -0.00 0.00 -2.87 0.00 0.00 58.31 55.76 2ctf n LYS 45 Cb 0.47 -4.83 0.00 0.00 -1.84 0.00 0.00 35.03 28.83 2ctf n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ctf n GLY 46 N -1.54 -1.43 0.92 0.72 0.00 -1.24 -4.99 105.19 97.62 2ctf n GLY 46 Ca -0.01 0.16 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 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 1.09 0.07 -0.25 1.61 6.02 -1.18 -4.28 117.38 120.47 2ctf n GLN 47 Ca -0.00 0.03 -0.03 0.00 -0.01 0.00 0.00 57.00 56.99 2ctf n GLN 47 Cb 0.34 -0.62 0.08 0.00 1.02 0.00 0.00 30.24 31.05 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 -0.13 0.71 0.22 1.08 2.35 -1.76 -0.40 115.58 117.65 2ctf h ASN 48 Ca -0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 2ctf h ASN 48 Cb 0.38 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2ctf h ASN 48 CO -0.01 0.49 -0.11 -0.07 -1.65 0.00 0.00 177.43 176.08 2ctf h LEU 49 N 0.84 -0.25 -0.70 1.61 3.38 -1.79 -2.88 115.31 115.53 2ctf h LEU 49 Ca 0.28 -0.28 0.15 0.00 0.09 0.00 0.00 57.88 58.12 2ctf h LEU 49 Cb 0.03 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 40.73 2ctf h LEU 49 CO -0.11 0.24 0.10 0.00 0.09 0.00 0.00 178.44 178.76 2ctf h ALA 50 N -0.31 0.82 0.43 1.53 0.00 -1.72 0.37 119.26 120.37 2ctf h ALA 50 Ca -0.03 0.19 -0.02 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 18.58 2ctf h ALA 50 CO 0.05 -0.37 -0.36 -0.22 0.00 0.00 0.00 179.25 178.35 2ctf h LYS 51 N 0.19 -0.74 -0.10 0.00 3.64 -1.12 0.15 116.57 118.59 2ctf h LYS 51 Ca 0.38 0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.85 2ctf h LYS 51 Cb 0.65 0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.58 2ctf h LYS 51 CO -0.54 -0.49 -0.44 0.82 -2.27 0.00 0.00 179.45 176.53 2ctf h ILE 52 N -0.76 0.12 -0.92 2.00 2.04 -1.21 -0.20 117.51 118.58 2ctf h ILE 52 Ca -0.06 0.00 0.19 0.00 1.00 0.00 0.00 64.86 65.99 2ctf h ILE 52 Cb 0.64 0.12 -0.08 0.00 -0.74 0.00 0.00 36.82 36.77 2ctf h ILE 52 CO -0.00 0.00 0.60 0.71 0.00 0.00 0.00 178.15 179.45 2ctf h THR 53 N -0.53 0.72 -0.20 -0.27 1.35 -0.89 0.17 112.91 113.26 2ctf h THR 53 Ca 0.06 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 2ctf h THR 53 Cb 0.65 0.13 -0.01 0.00 -1.73 0.00 0.00 68.15 67.18 2ctf h THR 53 CO -0.39 0.10 0.13 -0.61 -0.25 0.00 0.00 175.52 174.50 2ctf h GLN 54 N 0.54 0.27 0.00 4.72 5.75 0.11 -0.85 115.11 125.65 2ctf h GLN 54 Ca 0.49 -0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.85 2ctf h GLN 54 Cb 1.01 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.49 2ctf h GLN 54 CO -0.22 0.18 -0.55 0.37 -2.65 0.00 0.00 178.83 175.95 2ctf h GLN 55 N 0.27 0.00 -2.70 1.69 5.75 -0.47 -3.37 115.11 116.29 2ctf h GLN 55 Ca 0.07 0.00 -0.60 0.00 -0.15 0.00 0.00 58.65 57.97 2ctf h GLN 55 Cb -0.03 0.00 -0.40 0.00 1.07 0.00 0.00 27.48 28.12 2ctf h GLN 55 CO -0.02 0.55 -0.79 -1.64 -2.65 0.00 0.00 178.83 174.28 2ctf s MET 56 N -3.42 1.58 0.24 1.69 -1.94 0.46 -4.95 119.30 112.97 2ctf s MET 56 Ca 0.00 -2.63 0.01 0.00 -1.71 0.00 0.00 55.69 51.37 2ctf s MET 56 Cb 0.11 -2.31 0.27 0.00 2.01 0.00 0.00 34.83 34.91 2ctf s MET 56 CO 0.74 -1.33 1.61 -1.00 -0.01 0.00 0.00 175.02 175.02 2ctf h PRO 57 N 5.60 0.44 -0.12 2.03 0.13 -1.34 -2.99 132.00 135.75 2ctf h PRO 57 Ca 0.20 -0.23 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 2ctf h PRO 57 Cb 0.84 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 2ctf h PRO 57 CO 0.52 0.80 -0.01 0.87 -0.23 0.00 0.00 178.00 179.96 2ctf h LYS 58 N 0.36 0.17 -6.27 0.86 1.57 -1.92 -3.41 116.57 107.93 2ctf h LYS 58 Ca 0.03 -0.02 -0.55 0.00 -1.87 0.00 0.00 60.65 58.24 2ctf h LYS 58 Cb 0.92 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.16 2ctf h LYS 58 CO 0.08 0.20 0.28 0.08 -0.57 0.00 0.00 179.45 179.52 2ctf s VAL 59 N -5.00 4.93 -0.27 0.50 1.01 -1.13 -4.34 120.40 116.10 2ctf s VAL 59 Ca -0.06 1.84 -0.08 0.00 0.00 0.00 0.00 61.98 63.68 2ctf s VAL 59 Cb 0.16 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 2ctf s VAL 59 CO 0.70 0.18 0.10 -2.28 0.00 0.00 0.00 175.10 173.81 2ctf s HIS 60 N 1.00 3.13 -0.18 5.22 2.46 0.48 -4.91 115.29 122.49 2ctf s HIS 60 Ca 0.47 -0.45 -0.12 0.00 0.47 0.00 0.00 55.06 55.42 2ctf s HIS 60 Cb -0.20 -2.28 -0.05 0.00 -0.13 0.00 0.00 32.58 29.92 2ctf s HIS 60 CO 0.24 -0.38 0.21 0.42 -2.47 0.00 0.00 174.74 172.76 2ctf s ILE 61 N 1.62 5.36 0.03 0.89 1.01 -1.26 -2.22 121.20 126.63 2ctf s ILE 61 Ca 0.06 0.37 0.04 0.00 0.00 0.00 0.00 60.65 61.11 2ctf s ILE 61 Cb -0.16 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 2ctf s ILE 61 CO 0.05 0.42 -0.11 -0.70 0.00 0.00 0.00 174.94 174.60 2ctf s GLU 62 N 0.40 0.75 -0.14 2.79 2.12 -0.98 -5.00 118.70 118.64 2ctf s GLU 62 Ca 0.12 -0.67 0.02 0.00 0.36 0.00 0.00 54.97 54.81 2ctf s GLU 62 Cb -0.12 -0.69 0.01 0.00 0.26 0.00 0.00 34.13 33.59 2ctf s GLU 62 CO 0.01 0.17 -0.21 -0.06 -0.54 0.00 0.00 175.26 174.63 2ctf s PHE 63 N -0.87 2.68 -0.03 5.30 0.08 -1.26 -2.61 117.98 121.27 2ctf s PHE 63 Ca -0.01 -1.26 -0.01 0.00 0.12 0.00 0.00 56.93 55.77 2ctf s PHE 63 Cb -0.07 -1.81 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 2ctf s PHE 63 CO 0.01 -0.56 0.05 0.99 -0.10 0.00 0.00 175.22 175.60 2ctf s THR 64 N 0.75 4.55 -0.06 0.64 2.01 -1.17 -5.02 115.64 117.33 2ctf s THR 64 Ca -0.08 -0.37 -0.05 0.00 0.31 0.00 0.00 61.69 61.50 2ctf s THR 64 Cb -0.16 -3.02 -0.27 0.00 0.01 0.00 0.00 72.50 69.06 2ctf s THR 64 CO -0.00 0.44 0.60 1.05 -0.69 0.00 0.00 174.62 176.02 2ctf h GLU 65 N 4.48 0.27 0.00 4.92 4.11 -1.99 -3.31 114.58 123.07 2ctf h GLU 65 Ca -0.50 -0.45 0.00 0.00 0.07 0.00 0.00 59.36 58.48 2ctf h GLU 65 Cb 1.19 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2ctf h GLU 65 CO 0.59 1.13 -0.21 0.78 0.07 0.00 0.00 179.01 181.37 2ctf h GLY 66 N 1.41 0.00 -0.04 1.06 0.00 -1.98 -3.37 103.07 100.16 2ctf h GLY 66 Ca -0.34 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.22 2ctf h GLY 66 CO 0.13 0.00 0.79 0.83 0.00 0.00 0.00 176.54 178.29 2ctf h GLU 67 N -0.52 0.00 -5.99 4.80 4.39 -2.01 -3.45 114.58 111.81 2ctf h GLU 67 Ca 0.00 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.30 2ctf h GLU 67 Cb 0.21 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 28.94 2ctf h GLU 67 CO 0.00 0.00 -0.81 -0.25 -1.16 0.00 0.00 179.01 176.79 2ctf n ASP 68 N -3.69 -1.50 -3.75 1.42 8.00 -1.24 -4.99 116.55 110.79 2ctf n ASP 68 Ca 0.17 -0.77 -0.10 0.00 0.71 0.00 0.00 54.79 54.81 2ctf n ASP 68 Cb 1.07 -4.32 -0.05 0.00 -0.02 0.00 0.00 41.12 37.81 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 -5.85 1.24 -0.22 -1.24 -2.85 -1.21 -3.68 119.74 105.92 2ctf s LYS 69 Ca 0.02 -0.88 -0.07 0.00 -1.00 0.00 0.00 55.97 54.04 2ctf s LYS 69 Cb -0.01 0.47 -0.03 0.00 -2.06 0.00 0.00 37.83 36.20 2ctf s LYS 69 CO 0.79 -0.50 0.06 0.42 0.10 0.00 0.00 175.35 176.23 2ctf s ILE 70 N -3.87 4.47 -0.22 3.79 1.01 -0.50 -3.07 121.20 122.81 2ctf s ILE 70 Ca 0.09 -0.13 -0.15 0.00 0.00 0.00 0.00 60.65 60.46 2ctf s ILE 70 Cb 0.01 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 2ctf s ILE 70 CO -0.05 0.39 0.36 -0.89 0.00 0.00 0.00 174.94 174.74 2ctf s THR 71 N 1.12 5.22 -0.13 2.92 2.01 -1.07 -0.15 115.64 125.56 2ctf s THR 71 Ca 0.04 0.60 -0.02 0.00 0.31 0.00 0.00 61.69 62.62 2ctf s THR 71 Cb -0.14 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 2ctf s THR 71 CO 0.03 0.25 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.37 2ctf s LEU 72 N 1.43 3.06 -0.09 4.42 2.01 0.13 -2.31 118.68 127.34 2ctf s LEU 72 Ca 0.16 -0.17 0.03 0.00 0.01 0.00 0.00 54.13 54.16 2ctf s LEU 72 Cb -0.15 -1.71 0.01 0.00 0.01 0.00 0.00 46.19 44.35 2ctf s LEU 72 CO 0.08 0.20 -0.17 -1.61 1.01 0.00 0.00 176.35 175.86 2ctf s GLU 73 N 0.14 2.30 0.00 1.70 8.01 -0.94 -1.43 118.70 128.47 2ctf s GLU 73 Ca -0.03 -0.61 0.00 0.00 0.01 0.00 0.00 54.97 54.33 2ctf s GLU 73 Cb -0.14 -1.82 0.00 0.00 -4.31 0.00 0.00 34.13 27.86 2ctf s GLU 73 CO 0.04 0.07 0.00 0.41 0.01 0.00 0.00 175.26 175.79 2ctf n GLY 74 N 3.76 -0.46 3.69 -1.39 0.00 -0.53 -0.38 105.19 109.88 2ctf n GLY 74 Ca -0.21 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.91 4.27 0.51 1.61 0.04 -1.26 0.30 135.00 138.57 2ctf s PRO 75 Ca 0.00 2.02 0.44 0.00 0.04 0.00 0.00 61.00 63.50 2ctf s PRO 75 Cb 0.00 -3.58 1.65 0.00 0.04 0.00 0.00 34.50 32.62 2ctf s PRO 75 CO 0.00 -0.60 1.57 0.00 0.04 0.00 0.00 177.00 178.01 2ctf h THR 76 N 4.90 0.00 0.17 1.26 1.03 -1.82 0.56 112.91 119.02 2ctf h THR 76 Ca -0.39 -0.00 0.01 0.00 -0.01 0.00 0.00 66.41 66.02 2ctf h THR 76 Cb 1.18 0.00 -0.02 0.00 -1.07 0.00 0.00 68.15 68.24 2ctf h THR 76 CO 0.91 0.00 -0.20 -0.08 -0.01 0.00 0.00 175.52 176.14 2ctf h GLU 77 N 0.00 -0.40 0.14 0.00 4.57 -1.93 -1.17 114.58 115.78 2ctf h GLU 77 Ca 0.93 0.03 -0.22 0.00 -1.18 0.00 0.00 59.36 58.91 2ctf h GLU 77 Cb 3.44 0.09 0.01 0.00 -0.16 0.00 0.00 28.75 32.14 2ctf h GLU 77 CO -0.19 -0.27 -1.04 -0.44 -1.18 0.00 0.00 179.01 175.89 2ctf h ASP 78 N -0.42 0.45 -0.86 1.04 5.19 -0.44 -3.34 116.42 118.04 2ctf h ASP 78 Ca 0.01 -0.92 0.21 0.00 -0.62 0.00 0.00 57.03 55.71 2ctf h ASP 78 Cb 0.41 -0.15 -0.13 0.00 0.18 0.00 0.00 39.33 39.64 2ctf h ASP 78 CO -0.07 1.48 0.33 0.58 -3.12 0.00 0.00 179.24 178.44 2ctf h VAL 79 N -0.34 0.45 0.00 -1.35 2.07 -0.57 0.75 116.25 117.26 2ctf h VAL 79 Ca -0.20 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 2ctf h VAL 79 Cb 1.70 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2ctf h VAL 79 CO 0.12 0.06 -0.08 0.28 0.02 0.00 0.00 177.57 177.97 2ctf h SER 80 N 0.34 0.00 0.01 0.57 0.02 -1.33 0.67 113.55 113.83 2ctf h SER 80 Ca 0.53 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.48 2ctf h SER 80 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2ctf h SER 80 CO -0.55 0.08 -0.00 0.58 -1.14 0.00 0.00 176.83 175.80 2ctf h VAL 81 N 0.00 1.40 0.14 2.27 2.07 0.30 -2.95 116.25 119.48 2ctf h VAL 81 Ca -0.00 -2.02 -0.01 0.00 0.82 0.00 0.00 66.70 65.50 2ctf h VAL 81 Cb 0.16 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 2ctf h VAL 81 CO 0.01 0.47 -0.07 0.00 0.02 0.00 0.00 177.57 178.00 2ctf h ALA 82 N -0.20 -0.19 -1.00 1.67 0.00 -0.88 0.34 119.26 119.01 2ctf h ALA 82 Ca -0.00 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.96 2ctf h ALA 82 Cb 0.78 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 2ctf h ALA 82 CO 0.00 -0.60 0.64 -0.56 0.00 0.00 0.00 179.25 178.73 2ctf h GLN 83 N -0.20 1.03 -0.30 0.00 3.07 -1.03 -1.14 115.11 116.53 2ctf h GLN 83 Ca -0.02 -0.06 -0.15 0.00 0.09 0.00 0.00 58.65 58.51 2ctf h GLN 83 Cb 0.16 -0.23 -0.01 0.00 0.08 0.00 0.00 27.48 27.48 2ctf h GLN 83 CO 0.03 0.68 -0.43 1.49 0.09 0.00 0.00 178.83 180.69 2ctf h GLU 84 N 1.06 0.76 -0.43 0.06 4.22 -1.30 -1.07 114.58 117.87 2ctf h GLU 84 Ca 0.47 -0.41 -0.04 0.00 0.08 0.00 0.00 59.36 59.46 2ctf h GLU 84 Cb 0.38 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2ctf h GLU 84 CO -0.23 1.04 0.11 1.96 -2.18 0.00 0.00 179.01 179.70 2ctf h GLN 85 N 0.61 0.64 0.17 1.92 4.20 0.22 -2.33 115.11 120.54 2ctf h GLN 85 Ca 0.04 -0.11 -0.29 0.00 0.06 0.00 0.00 58.65 58.35 2ctf h GLN 85 Cb 0.99 -0.11 0.02 0.00 0.30 0.00 0.00 27.48 28.68 2ctf h GLN 85 CO 0.09 0.59 -1.32 0.82 -0.67 0.00 0.00 178.83 178.34 2ctf h ILE 86 N 0.63 1.43 0.00 2.54 2.04 -1.15 -3.23 117.51 119.76 2ctf h ILE 86 Ca 0.14 -2.94 -0.01 0.00 1.00 0.00 0.00 64.86 63.06 2ctf h ILE 86 Cb 0.23 2.97 -0.00 0.00 -0.74 0.00 0.00 36.82 39.28 2ctf h ILE 86 CO -0.00 0.86 -0.05 -0.33 0.00 0.00 0.00 178.15 178.63 2ctf h GLU 87 N 0.10 0.00 0.05 2.37 5.08 -0.91 -2.20 114.58 119.07 2ctf h GLU 87 Ca -0.17 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.06 2ctf h GLU 87 Cb 2.03 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.30 2ctf h GLU 87 CO 0.23 0.05 -0.52 0.78 -1.00 0.00 0.00 179.01 178.55 2ctf h GLY 88 N 0.59 0.30 1.21 -3.84 0.00 -1.45 -3.10 103.07 96.78 2ctf h GLY 88 Ca -0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 47.33 46.64 2ctf h GLY 88 CO 0.01 0.54 0.11 0.00 0.00 0.00 0.00 176.54 177.20 2ctf h MET 89 N -0.40 0.97 0.67 4.80 -0.00 -1.53 -2.39 114.93 117.06 2ctf h MET 89 Ca -0.08 -0.24 -0.03 0.00 -0.00 0.00 0.00 59.70 59.35 2ctf h MET 89 Cb 1.32 -0.13 0.00 0.00 -0.00 0.00 0.00 31.60 32.79 2ctf h MET 89 CO 0.10 0.89 -0.37 0.28 -0.00 0.00 0.00 176.91 177.81 2ctf h VAL 90 N 0.92 0.00 -0.88 -0.10 2.07 -1.51 0.41 116.25 117.17 2ctf h VAL 90 Ca 0.19 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.89 2ctf h VAL 90 Cb 0.38 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.05 2ctf h VAL 90 CO 0.01 0.00 0.44 0.50 0.02 0.00 0.00 177.57 178.53 2ctf h LYS 91 N -0.96 0.54 -0.48 1.57 3.64 -1.56 0.15 116.57 119.48 2ctf h LYS 91 Ca -0.09 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.17 2ctf h LYS 91 Cb 0.75 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 2ctf h LYS 91 CO 0.12 0.36 -0.05 0.22 -2.27 0.00 0.00 179.45 177.83 2ctf h ASP 92 N 0.55 0.87 -0.55 4.20 1.82 -1.24 0.16 116.42 122.23 2ctf h ASP 92 Ca 0.51 -0.33 -0.06 0.00 -0.39 0.00 0.00 57.03 56.75 2ctf h ASP 92 Cb 0.82 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 40.57 2ctf h ASP 92 CO -0.42 0.99 0.13 -0.07 -1.61 0.00 0.00 179.24 178.26 2ctf h LEU 93 N 0.73 0.88 -0.01 2.28 3.38 0.18 -2.69 115.31 120.07 2ctf h LEU 93 Ca 0.13 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 2ctf h LEU 93 Cb 0.58 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.10 2ctf h LEU 93 CO 0.03 0.87 -0.36 0.40 0.09 0.00 0.00 178.44 179.47 2ctf h ILE 94 N 0.89 1.50 -0.90 1.22 2.04 -0.64 -2.74 117.51 118.88 2ctf h ILE 94 Ca 0.19 -1.96 0.21 0.00 1.00 0.00 0.00 64.86 64.29 2ctf h ILE 94 Cb 0.35 2.67 -0.12 0.00 -0.74 0.00 0.00 36.82 38.98 2ctf h ILE 94 CO 0.00 0.55 0.43 0.78 0.00 0.00 0.00 178.15 179.92 2ctf h ASN 95 N -0.35 0.42 -0.10 1.72 2.35 -0.61 -0.92 115.58 118.09 2ctf h ASN 95 Ca -0.04 0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.78 2ctf h ASN 95 Cb 1.09 0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.56 2ctf h ASN 95 CO 0.07 0.06 -0.20 0.03 -1.65 0.00 0.00 177.43 175.74 2ctf h ARG 96 N 0.47 0.32 -4.85 0.81 3.08 -1.54 -3.28 114.38 109.39 2ctf h ARG 96 Ca 0.55 -0.20 -0.68 0.00 0.07 0.00 0.00 59.98 59.72 2ctf h ARG 96 Cb 1.00 0.03 -0.32 0.00 0.08 0.00 0.00 29.97 30.75 2ctf h ARG 96 CO -0.49 0.80 -0.73 0.45 -1.07 0.00 0.00 179.97 178.93 2ctf s SER 97 N -6.20 4.55 0.00 7.04 0.15 -0.35 -4.67 113.70 114.21 2ctf s SER 97 Ca -0.14 -1.06 0.00 0.00 0.70 0.00 0.00 55.95 55.45 2ctf s SER 97 Cb 0.04 -1.68 0.00 0.00 -1.71 0.00 0.00 66.02 62.67 2ctf s SER 97 CO 0.75 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.62 2ctf n GLY 98 N 4.64 0.70 0.07 9.45 0.00 -1.20 -4.40 105.19 114.45 2ctf n GLY 98 Ca -0.15 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.05 -6.09 1.61 0.13 -1.81 -3.46 132.00 122.33 2ctf h PRO 99 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.81 2ctf h PRO 99 Cb 0.00 0.01 -0.19 0.00 0.13 0.00 0.00 31.00 30.95 2ctf h PRO 99 CO 0.00 0.42 -0.46 0.45 -0.23 0.00 0.00 178.00 178.18 2ctf n SER 100 N -4.88 -1.47 -4.43 1.44 2.88 -1.24 -4.86 113.62 101.06 2ctf n SER 100 Ca -0.08 -0.38 -0.28 0.00 -1.33 0.00 0.00 58.87 56.79 2ctf n SER 100 Cb 0.25 -1.34 0.24 0.00 -0.75 0.00 0.00 64.21 62.61 2ctf n SER 100 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2ctf s SER 101 N -2.63 1.14 0.00 -3.46 0.01 -1.26 -5.16 113.70 102.34 2ctf s SER 101 Ca 0.42 1.30 0.00 0.00 1.31 0.00 0.00 55.95 58.98 2ctf s SER 101 Cb -0.25 -2.02 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2ctf s SER 101 CO 0.52 -4.07 0.00 0.61 0.41 0.00 0.00 173.24 170.71