#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 -0.19 0.40 1.61 1.04 -1.26 -5.16 113.70 110.13 2ctf s SER 2 Ca 0.00 0.19 -0.09 0.00 0.48 0.00 0.00 55.95 56.53 2ctf s SER 2 Cb 0.00 0.38 -0.06 0.00 0.10 0.00 0.00 66.02 66.44 2ctf s SER 2 CO 0.00 -0.34 0.74 -0.44 0.98 0.00 0.00 173.24 174.19 2ctf s SER 3 N -0.91 6.48 0.00 7.02 0.01 -1.26 -4.92 113.70 120.12 2ctf s SER 3 Ca -0.10 1.06 0.00 0.00 1.31 0.00 0.00 55.95 58.22 2ctf s SER 3 Cb -0.05 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.89 2ctf s SER 3 CO 0.03 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.89 2ctf n GLY 4 N -1.35 -0.03 3.26 3.44 0.00 -1.26 -5.14 105.19 104.11 2ctf n GLY 4 Ca 0.02 -0.99 0.03 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 -0.39 0.28 1.61 1.04 -1.26 -5.18 113.70 109.79 2ctf s SER 5 Ca 0.00 0.43 -0.13 0.00 0.48 0.00 0.00 55.95 56.73 2ctf s SER 5 Cb 0.00 1.40 0.01 0.00 0.10 0.00 0.00 66.02 67.53 2ctf s SER 5 CO 0.00 -0.07 0.54 -0.94 0.98 0.00 0.00 173.24 173.75 2ctf s SER 6 N 2.49 0.02 0.00 7.02 1.04 -1.26 -5.10 113.70 117.92 2ctf s SER 6 Ca -0.01 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.45 2ctf s SER 6 Cb -0.06 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2ctf s SER 6 CO -0.15 -1.25 0.00 0.61 0.98 0.00 0.00 173.24 173.43 2ctf n GLY 7 N -0.43 -0.63 3.20 7.32 0.00 -1.26 -5.10 105.19 108.29 2ctf n GLY 7 Ca -0.02 0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 3.26 1.26 1.61 0.41 -1.26 -5.07 118.70 118.91 2ctf s GLU 8 Ca 0.00 -2.77 -0.21 0.00 -0.41 0.00 0.00 54.97 51.58 2ctf s GLU 8 Cb 0.00 -4.10 0.31 0.00 -1.78 0.00 0.00 34.13 28.56 2ctf s GLU 8 CO 0.00 -1.24 1.11 -1.25 -0.49 0.00 0.00 175.26 173.39 2ctf s PRO 9 N -0.45 -1.66 -0.05 0.39 0.04 -1.26 -5.10 135.00 126.91 2ctf s PRO 9 Ca 0.21 -0.22 -0.18 0.00 0.04 0.00 0.00 61.00 60.85 2ctf s PRO 9 Cb -0.13 -1.56 0.04 0.00 0.04 0.00 0.00 34.50 32.89 2ctf s PRO 9 CO -0.08 -3.97 0.41 -1.21 0.04 0.00 0.00 177.00 172.19 2ctf s GLU 10 N -5.52 0.72 -0.57 4.56 8.01 -1.26 -5.05 118.70 119.59 2ctf s GLU 10 Ca 0.72 0.05 -0.02 0.00 0.01 0.00 0.00 54.97 55.73 2ctf s GLU 10 Cb -0.07 0.33 0.28 0.00 -4.31 0.00 0.00 34.13 30.36 2ctf s GLU 10 CO 0.56 -0.19 2.19 1.17 0.01 0.00 0.00 175.26 178.99 2ctf n LYS 11 N 1.49 2.40 -4.07 1.61 0.00 -1.26 -4.86 118.16 113.47 2ctf n LYS 11 Ca -0.20 -2.68 -0.29 0.00 0.00 0.00 0.00 58.31 55.15 2ctf n LYS 11 Cb 0.56 -2.07 -0.07 0.00 0.00 0.00 0.00 35.03 33.45 2ctf n LYS 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2ctf n LEU 12 N -0.12 -0.74 -2.77 3.14 4.77 -1.26 -4.83 117.00 115.20 2ctf n LEU 12 Ca 0.49 -1.11 -0.04 0.00 -0.03 0.00 0.00 56.01 55.33 2ctf n LEU 12 Cb 0.53 -1.37 0.04 0.00 -2.33 0.00 0.00 43.42 40.28 2ctf n LEU 12 CO 0.53 0.45 -0.05 0.61 -1.33 0.00 0.00 177.39 177.60 2ctf n GLY 13 N -2.32 1.73 3.39 -0.72 0.00 -1.26 -5.05 105.19 100.96 2ctf n GLY 13 Ca -0.26 -1.16 0.02 0.00 0.00 0.00 0.00 46.02 44.61 2ctf n GLY 13 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ctf s GLN 14 N -3.56 0.28 -0.30 1.61 -2.07 -1.26 -5.15 119.66 109.21 2ctf s GLN 14 Ca 0.27 0.69 -0.02 0.00 -1.82 0.00 0.00 55.36 54.49 2ctf s GLN 14 Cb 0.37 0.41 0.19 0.00 -1.09 0.00 0.00 33.01 32.89 2ctf s GLN 14 CO -0.01 -0.09 0.62 0.00 -1.32 0.00 0.00 175.29 174.48 2ctf s ALA 15 N 2.40 -2.30 -1.24 2.60 0.00 -1.26 -5.05 121.76 116.92 2ctf s ALA 15 Ca -0.02 1.85 -0.08 0.00 0.00 0.00 0.00 51.96 53.70 2ctf s ALA 15 Cb -0.06 -2.17 -0.09 0.00 0.00 0.00 0.00 23.12 20.81 2ctf s ALA 15 CO -0.17 -1.32 3.00 1.28 0.00 0.00 0.00 175.76 178.55 2ctf n LEU 16 N 5.43 7.93 -4.35 0.00 4.32 -1.26 -4.87 117.00 124.21 2ctf n LEU 16 Ca -0.02 -4.21 -0.35 0.00 -0.02 0.00 0.00 56.01 51.42 2ctf n LEU 16 Cb 0.51 -1.49 -0.14 0.00 -1.62 0.00 0.00 43.42 40.68 2ctf n LEU 16 CO 0.02 1.99 -0.37 0.42 -1.22 0.00 0.00 177.39 178.23 2ctf s THR 17 N 1.32 3.52 -0.30 -5.08 -4.23 -1.26 -5.05 115.64 104.56 2ctf s THR 17 Ca 0.67 -0.45 -0.14 0.00 -1.18 0.00 0.00 61.69 60.59 2ctf s THR 17 Cb 0.21 -2.60 0.18 0.00 1.34 0.00 0.00 72.50 71.63 2ctf s THR 17 CO -0.06 0.42 1.09 -1.83 -0.54 0.00 0.00 174.62 173.70 2ctf s GLU 18 N 1.35 0.16 -0.11 3.99 -1.05 -1.26 -5.16 118.70 116.62 2ctf s GLU 18 Ca 0.04 0.28 0.03 0.00 -0.15 0.00 0.00 54.97 55.18 2ctf s GLU 18 Cb -0.14 0.16 0.01 0.00 -0.44 0.00 0.00 34.13 33.71 2ctf s GLU 18 CO -0.01 -0.17 -0.21 0.14 0.95 0.00 0.00 175.26 175.95 2ctf s VAL 19 N 2.94 1.92 -0.20 1.83 -7.23 -1.26 -5.12 120.40 113.29 2ctf s VAL 19 Ca -0.03 -0.92 -0.20 0.00 -1.81 0.00 0.00 61.98 59.02 2ctf s VAL 19 Cb -0.10 -1.69 0.06 0.00 0.56 0.00 0.00 36.38 35.21 2ctf s VAL 19 CO -0.10 0.53 0.57 -0.72 -0.31 0.00 0.00 175.10 175.07 2ctf s TYR 20 N 0.60 -0.62 -0.10 2.82 1.13 -1.26 -5.17 117.35 114.74 2ctf s TYR 20 Ca -0.13 1.49 -0.23 0.00 -1.41 0.00 0.00 57.07 56.78 2ctf s TYR 20 Cb -0.17 0.22 0.05 0.00 -1.10 0.00 0.00 41.96 40.97 2ctf s TYR 20 CO 0.04 -0.32 0.56 0.00 -2.51 0.00 0.00 175.55 173.31 2ctf s ALA 21 N 0.18 -1.41 -0.43 9.51 0.00 -1.26 -5.06 121.76 123.29 2ctf s ALA 21 Ca -0.01 1.21 0.04 0.00 0.00 0.00 0.00 51.96 53.20 2ctf s ALA 21 Cb -0.04 -0.34 0.44 0.00 0.00 0.00 0.00 23.12 23.18 2ctf s ALA 21 CO 0.01 -0.31 1.40 1.63 0.00 0.00 0.00 175.76 178.50 2ctf n LYS 22 N 1.70 3.34 -3.73 0.00 5.02 -1.26 -4.99 118.16 118.24 2ctf n LYS 22 Ca -0.18 -4.01 -0.13 0.00 -2.02 0.00 0.00 58.31 51.97 2ctf n LYS 22 Cb 0.56 -2.28 -0.10 0.00 -0.02 0.00 0.00 35.03 33.20 2ctf n LYS 22 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ctf s ALA 23 N -3.67 -0.97 -0.30 7.82 0.00 -1.26 -5.14 121.76 118.24 2ctf s ALA 23 Ca 0.53 0.94 -0.15 0.00 0.00 0.00 0.00 51.96 53.29 2ctf s ALA 23 Cb 0.43 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 2ctf s ALA 23 CO -0.04 -0.21 0.36 1.21 0.00 0.00 0.00 175.76 177.08 2ctf s ASN 24 N -0.22 6.21 -0.10 0.00 3.04 -1.26 -5.05 114.94 117.56 2ctf s ASN 24 Ca -0.04 0.07 -0.01 0.00 0.04 0.00 0.00 52.86 52.92 2ctf s ASN 24 Cb -0.03 -2.20 0.03 0.00 -1.54 0.00 0.00 41.25 37.50 2ctf s ASN 24 CO 0.02 -0.24 -0.05 -0.55 -3.04 0.00 0.00 177.10 173.24 2ctf s SER 25 N 1.69 1.92 -0.39 -4.21 0.15 -1.26 -5.09 113.70 106.52 2ctf s SER 25 Ca 0.13 -0.22 -0.41 0.00 0.70 0.00 0.00 55.95 56.16 2ctf s SER 25 Cb -0.16 -0.69 -0.16 0.00 -1.71 0.00 0.00 66.02 63.30 2ctf s SER 25 CO 0.11 -0.14 1.94 0.33 1.20 0.00 0.00 173.24 176.68 2ctf n PHE 26 N 4.96 1.66 -3.83 3.44 7.35 -1.26 -4.74 117.46 125.04 2ctf n PHE 26 Ca -0.11 0.62 -0.36 0.00 -0.76 0.00 0.00 57.45 56.84 2ctf n PHE 26 Cb 0.50 -2.40 -0.10 0.00 0.35 0.00 0.00 39.48 37.82 2ctf n PHE 26 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2ctf s THR 27 N 5.10 4.85 -0.23 -2.13 2.01 -0.39 -4.95 115.64 119.91 2ctf s THR 27 Ca 1.08 0.00 0.01 0.00 0.31 0.00 0.00 61.69 63.09 2ctf s THR 27 Cb -1.19 -3.24 0.05 0.00 0.01 0.00 0.00 72.50 68.14 2ctf s THR 27 CO 0.64 0.38 -0.07 -0.69 -0.69 0.00 0.00 174.62 174.19 2ctf s VAL 28 N 0.98 1.61 0.09 3.82 1.01 -1.26 -0.93 120.40 125.71 2ctf s VAL 28 Ca 0.05 -1.19 0.07 0.00 0.00 0.00 0.00 61.98 60.92 2ctf s VAL 28 Cb -0.14 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 2ctf s VAL 28 CO 0.03 -0.02 -0.18 -0.94 0.00 0.00 0.00 175.10 173.99 2ctf s SER 29 N 1.37 2.22 0.14 3.32 1.04 -0.74 -4.95 113.70 116.10 2ctf s SER 29 Ca -0.05 -0.66 0.07 0.00 0.48 0.00 0.00 55.95 55.80 2ctf s SER 29 Cb -0.18 -0.11 -0.04 0.00 0.10 0.00 0.00 66.02 65.79 2ctf s SER 29 CO -0.07 0.01 -0.04 -0.94 0.98 0.00 0.00 173.24 173.18 2ctf s SER 30 N -1.83 4.65 0.03 7.02 1.04 -1.26 -0.10 113.70 123.25 2ctf s SER 30 Ca 0.03 -0.38 0.07 0.00 0.48 0.00 0.00 55.95 56.15 2ctf s SER 30 Cb -0.10 -0.96 -0.03 0.00 0.10 0.00 0.00 66.02 65.03 2ctf s SER 30 CO 0.03 0.13 -0.18 -0.69 0.98 0.00 0.00 173.24 173.51 2ctf s VAL 31 N -1.51 2.75 -0.54 5.02 1.01 0.10 -4.94 120.40 122.29 2ctf s VAL 31 Ca 0.25 -1.16 -0.28 0.00 0.00 0.00 0.00 61.98 60.80 2ctf s VAL 31 Cb -0.10 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.15 2ctf s VAL 31 CO 0.17 0.37 1.47 0.00 0.00 0.00 0.00 175.10 177.10 2ctf s ALA 32 N -0.89 2.78 -0.07 5.51 0.00 -1.26 -1.47 121.76 126.36 2ctf s ALA 32 Ca 0.14 -0.58 -0.08 0.00 0.00 0.00 0.00 51.96 51.45 2ctf s ALA 32 Cb -0.10 -4.10 0.02 0.00 0.00 0.00 0.00 23.12 18.94 2ctf s ALA 32 CO 0.04 -2.94 0.22 0.00 0.00 0.00 0.00 175.76 173.08 2ctf s ALA 33 N 6.28 -0.53 1.06 0.00 0.00 -1.25 -4.97 121.76 122.35 2ctf s ALA 33 Ca 0.56 0.56 -0.05 0.00 0.00 0.00 0.00 51.96 53.03 2ctf s ALA 33 Cb -0.12 -0.32 0.08 0.00 0.00 0.00 0.00 23.12 22.76 2ctf s ALA 33 CO 0.26 -0.11 0.27 -0.35 0.00 0.00 0.00 175.76 175.82 2ctf n PRO 34 N 2.83 -1.56 0.00 0.00 -0.04 -1.26 -3.13 135.00 131.83 2ctf n PRO 34 Ca -0.13 -0.43 0.00 0.00 -0.04 0.00 0.00 63.50 62.90 2ctf n PRO 34 Cb 0.58 -0.40 0.00 0.00 -0.04 0.00 0.00 33.50 33.64 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 -3.46 0.30 0.16 3.54 7.64 -1.26 -4.74 113.62 115.80 2ctf n SER 35 Ca 0.04 -1.00 0.12 0.00 1.01 0.00 0.00 58.87 59.04 2ctf n SER 35 Cb 0.14 0.00 0.24 0.00 -1.01 0.00 0.00 64.21 63.58 2ctf n SER 35 CO 0.00 0.00 0.00 4.11 -3.01 0.00 0.00 175.04 176.14 2ctf h TRP 36 N 0.00 0.00 -0.27 1.43 5.08 -1.99 -3.20 115.95 116.99 2ctf h TRP 36 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2ctf h TRP 36 Cb 0.36 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.52 2ctf h TRP 36 CO 0.00 0.00 0.00 1.47 -1.28 0.00 0.00 178.44 178.63 2ctf n LEU 37 N -2.73 3.64 -0.17 0.11 -0.00 -1.26 -4.69 117.00 111.91 2ctf n LEU 37 Ca 0.04 -2.79 -0.02 0.00 -0.00 0.00 0.00 56.01 53.25 2ctf n LEU 37 Cb 0.49 -0.47 0.07 0.00 -0.00 0.00 0.00 43.42 43.51 2ctf n LEU 37 CO 0.33 0.69 0.85 0.45 -0.00 0.00 0.00 177.39 179.71 2ctf h HIS 38 N 1.82 -0.00 0.00 1.47 3.86 -1.85 0.48 115.15 120.92 2ctf h HIS 38 Ca 0.00 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2ctf h HIS 38 Cb 1.28 0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.83 2ctf h HIS 38 CO 0.43 -0.11 0.23 0.07 0.86 0.00 0.00 177.93 179.41 2ctf h ARG 39 N 0.13 0.00 0.00 2.45 0.11 -1.86 -0.66 114.38 114.55 2ctf h ARG 39 Ca 0.27 0.00 -0.45 0.00 0.10 0.00 0.00 59.98 59.90 2ctf h ARG 39 Cb 0.40 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.42 2ctf h ARG 39 CO -0.43 0.00 -2.44 1.19 0.10 0.00 0.00 179.97 178.39 2ctf n PHE 40 N -2.66 0.09 0.06 4.08 3.72 0.13 -3.08 117.46 119.81 2ctf n PHE 40 Ca -0.02 0.04 0.19 0.00 -0.05 0.00 0.00 57.45 57.61 2ctf n PHE 40 Cb 0.27 -1.01 0.72 0.00 -0.94 0.00 0.00 39.48 38.53 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 -0.95 0.65 0.00 4.37 2.10 0.04 -2.83 117.51 120.89 2ctf h ILE 41 Ca -0.67 0.00 -0.17 0.00 1.08 0.00 0.00 64.86 65.10 2ctf h ILE 41 Cb 1.61 0.75 -0.03 0.00 -1.09 0.00 0.00 36.82 38.07 2ctf h ILE 41 CO -0.39 0.00 -1.09 -0.38 -1.08 0.00 0.00 178.15 175.21 2ctf n ILE 42 N -4.18 1.50 -0.18 2.19 5.41 -0.31 -4.47 119.36 119.31 2ctf n ILE 42 Ca 0.07 0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.86 2ctf n ILE 42 Cb 0.53 -2.14 0.00 0.00 -0.71 0.00 0.00 39.64 37.32 2ctf n ILE 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ctf n GLY 43 N 1.48 -3.49 3.68 7.39 0.00 -1.07 -1.37 105.19 111.80 2ctf n GLY 43 Ca -0.26 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.37 2ctf n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ctf s LYS 44 N -0.80 4.28 -1.58 1.61 2.47 -1.26 -3.21 119.74 121.24 2ctf s LYS 44 Ca 0.00 1.82 -0.15 0.00 -1.56 0.00 0.00 55.97 56.08 2ctf s LYS 44 Cb 0.00 -3.66 0.11 0.00 -1.46 0.00 0.00 37.83 32.81 2ctf s LYS 44 CO 0.00 -0.60 0.95 1.63 0.16 0.00 0.00 175.35 177.48 2ctf n LYS 45 N 5.84 -4.98 -3.51 4.03 4.01 -1.26 -1.71 118.16 120.58 2ctf n LYS 45 Ca 0.13 0.54 -0.19 0.00 -0.51 0.00 0.00 58.31 58.29 2ctf n LYS 45 Cb 0.45 -5.41 0.06 0.00 -0.51 0.00 0.00 35.03 29.63 2ctf n LYS 45 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2ctf n GLY 46 N -1.62 -0.50 0.08 0.72 0.00 -1.20 -4.94 105.19 97.73 2ctf n GLY 46 Ca 0.06 0.20 -0.15 0.00 0.00 0.00 0.00 46.02 46.13 2ctf n GLY 46 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2ctf h GLN 47 N -1.76 0.07 -0.28 1.61 5.75 -1.24 -2.47 115.11 116.79 2ctf h GLN 47 Ca -0.60 -0.09 -0.11 0.00 -0.15 0.00 0.00 58.65 57.70 2ctf h GLN 47 Cb 1.34 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.91 2ctf h GLN 47 CO 0.51 0.94 -0.27 -0.91 -2.65 0.00 0.00 178.83 176.45 2ctf h ASN 48 N -0.76 0.56 -0.21 -0.69 2.35 -1.52 -3.09 115.58 112.22 2ctf h ASN 48 Ca -0.02 -0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.48 2ctf h ASN 48 Cb 0.99 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.20 2ctf h ASN 48 CO 0.02 0.82 -0.07 -0.07 -1.65 0.00 0.00 177.43 176.48 2ctf h LEU 49 N 0.48 0.43 -1.35 1.61 3.38 -1.64 -2.99 115.31 115.24 2ctf h LEU 49 Ca 0.07 -0.38 0.19 0.00 0.09 0.00 0.00 57.88 57.84 2ctf h LEU 49 Cb 0.72 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.28 2ctf h LEU 49 CO 0.06 0.71 0.60 0.00 0.09 0.00 0.00 178.44 179.90 2ctf h ALA 50 N 0.73 2.01 0.85 1.53 0.00 -1.37 -0.64 119.26 122.37 2ctf h ALA 50 Ca 0.05 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2ctf h ALA 50 Cb 0.53 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.27 2ctf h ALA 50 CO 0.02 -0.31 -0.41 0.87 0.00 0.00 0.00 179.25 179.43 2ctf h LYS 51 N 0.55 -1.10 -0.35 0.00 1.79 -1.45 0.43 116.57 116.44 2ctf h LYS 51 Ca 0.49 0.07 0.05 0.00 -2.18 0.00 0.00 60.65 59.09 2ctf h LYS 51 Cb 1.02 0.25 -0.05 0.00 -1.58 0.00 0.00 32.23 31.88 2ctf h LYS 51 CO -0.23 -0.72 0.07 0.82 -1.08 0.00 0.00 179.45 178.31 2ctf h ILE 52 N -1.20 0.83 0.00 1.86 2.04 -1.37 -0.68 117.51 118.99 2ctf h ILE 52 Ca -0.12 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 2ctf h ILE 52 Cb 0.88 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2ctf h ILE 52 CO 0.19 0.04 -0.15 0.71 0.00 0.00 0.00 178.15 178.94 2ctf h THR 53 N 0.19 0.53 -0.01 -0.27 1.35 -1.10 0.48 112.91 114.09 2ctf h THR 53 Ca 0.16 -0.70 -0.11 0.00 -0.55 0.00 0.00 66.41 65.22 2ctf h THR 53 Cb 0.18 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 68.06 2ctf h THR 53 CO -0.21 0.14 -0.50 -0.61 -0.25 0.00 0.00 175.52 174.09 2ctf h GLN 54 N 0.00 0.02 0.03 4.72 4.15 0.14 -2.86 115.11 121.32 2ctf h GLN 54 Ca -0.00 -0.01 -0.35 0.00 0.77 0.00 0.00 58.65 59.05 2ctf h GLN 54 Cb 0.46 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.10 2ctf h GLN 54 CO 0.02 0.51 -2.14 1.04 -1.93 0.00 0.00 178.83 176.34 2ctf n GLN 55 N -3.95 0.68 -3.67 1.69 1.13 -0.90 -4.64 117.38 107.72 2ctf n GLN 55 Ca -0.02 0.18 -0.29 0.00 -1.94 0.00 0.00 57.00 54.94 2ctf n GLN 55 Cb 0.51 -1.64 -0.10 0.00 0.11 0.00 0.00 30.24 29.13 2ctf n GLN 55 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 2ctf n MET 56 N -3.14 2.24 0.27 -1.09 2.81 0.11 -4.89 117.12 113.43 2ctf n MET 56 Ca -0.32 -4.57 0.16 0.00 -1.81 0.00 0.00 57.70 51.16 2ctf n MET 56 Cb 1.06 -2.29 0.68 0.00 -0.71 0.00 0.00 33.22 31.96 2ctf n MET 56 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2ctf h PRO 57 N 4.95 0.00 0.00 0.03 0.13 -1.76 -2.51 132.00 132.84 2ctf h PRO 57 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2ctf h PRO 57 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2ctf h PRO 57 CO 0.79 0.04 -0.44 0.87 -0.23 0.00 0.00 178.00 179.03 2ctf h LYS 58 N 0.00 0.00 -5.24 0.86 1.57 -1.90 -3.44 116.57 108.42 2ctf h LYS 58 Ca -0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 2ctf h LYS 58 Cb 0.52 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.69 2ctf h LYS 58 CO 0.01 0.00 -0.23 0.08 -0.57 0.00 0.00 179.45 178.73 2ctf s VAL 59 N -3.17 5.19 -0.17 0.50 1.01 -0.95 -4.41 120.40 118.39 2ctf s VAL 59 Ca 0.07 0.60 -0.18 0.00 0.00 0.00 0.00 61.98 62.47 2ctf s VAL 59 Cb 0.12 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2ctf s VAL 59 CO 0.69 0.19 0.48 -1.00 0.00 0.00 0.00 175.10 175.47 2ctf s HIS 60 N 1.79 3.42 -0.23 5.22 3.76 0.32 -4.91 115.29 124.66 2ctf s HIS 60 Ca 0.16 0.78 -0.09 0.00 -0.15 0.00 0.00 55.06 55.76 2ctf s HIS 60 Cb -0.15 -2.60 -0.04 0.00 1.11 0.00 0.00 32.58 30.89 2ctf s HIS 60 CO 0.09 0.00 0.11 0.42 -0.85 0.00 0.00 174.74 174.51 2ctf s ILE 61 N 1.25 4.92 0.12 0.60 1.01 -1.26 -2.23 121.20 125.61 2ctf s ILE 61 Ca 0.24 0.03 0.09 0.00 0.00 0.00 0.00 60.65 61.00 2ctf s ILE 61 Cb -0.15 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 2ctf s ILE 61 CO 0.09 0.37 -0.22 -0.70 0.00 0.00 0.00 174.94 174.49 2ctf s GLU 62 N 1.04 1.21 -0.13 2.79 2.56 -0.79 -5.02 118.70 120.36 2ctf s GLU 62 Ca 0.06 -1.25 0.01 0.00 0.00 0.00 0.00 54.97 53.78 2ctf s GLU 62 Cb -0.14 -1.49 0.02 0.00 2.00 0.00 0.00 34.13 34.52 2ctf s GLU 62 CO 0.04 0.34 -0.14 -0.06 -0.56 0.00 0.00 175.26 174.88 2ctf s PHE 63 N -1.31 2.02 0.48 5.30 0.08 -1.26 -2.68 117.98 120.61 2ctf s PHE 63 Ca 0.10 -1.05 -0.04 0.00 0.12 0.00 0.00 56.93 56.06 2ctf s PHE 63 Cb -0.09 -1.49 -0.02 0.00 -0.57 0.00 0.00 43.02 40.85 2ctf s PHE 63 CO 0.05 -0.57 0.76 0.95 -0.10 0.00 0.00 175.22 176.31 2ctf s THR 64 N 1.29 4.55 -0.26 0.64 -4.23 -1.17 -5.04 115.64 111.42 2ctf s THR 64 Ca -0.00 -0.04 -0.04 0.00 -1.18 0.00 0.00 61.69 60.44 2ctf s THR 64 Cb -0.14 -3.72 -0.15 0.00 1.34 0.00 0.00 72.50 69.83 2ctf s THR 64 CO -0.06 -0.65 -0.27 -1.84 -0.54 0.00 0.00 174.62 171.25 2ctf n GLU 65 N -2.23 0.62 -0.11 3.99 -0.00 -1.26 -4.50 120.64 117.14 2ctf n GLU 65 Ca 0.01 0.19 -0.16 0.00 -0.00 0.00 0.00 57.16 57.19 2ctf n GLU 65 Cb 0.56 -1.50 -0.10 0.00 -0.00 0.00 0.00 31.44 30.40 2ctf n GLU 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ctf n GLY 66 N 1.93 -0.31 0.29 -1.84 0.00 -1.26 -4.38 105.19 99.63 2ctf n GLY 66 Ca -0.48 -0.14 0.16 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.06 0.00 -6.63 1.61 3.07 -2.00 -3.45 114.58 107.12 2ctf h GLU 67 Ca -0.50 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 57.83 2ctf h GLU 67 Cb 1.75 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 29.59 2ctf h GLU 67 CO -0.10 0.00 -0.92 -0.40 -1.40 0.00 0.00 179.01 176.20 2ctf n ASP 68 N -2.76 -0.60 -3.53 1.42 5.75 -1.26 -4.95 116.55 110.62 2ctf n ASP 68 Ca -0.02 -1.08 -0.12 0.00 -0.01 0.00 0.00 54.79 53.55 2ctf n ASP 68 Cb 0.23 -2.68 -0.04 0.00 -1.03 0.00 0.00 41.12 37.60 2ctf n ASP 68 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2ctf s LYS 69 N -6.74 1.14 -0.26 0.11 -2.85 -1.18 -3.86 119.74 106.10 2ctf s LYS 69 Ca 0.06 -0.47 -0.09 0.00 -1.00 0.00 0.00 55.97 54.47 2ctf s LYS 69 Cb -0.03 0.52 -0.04 0.00 -2.06 0.00 0.00 37.83 36.22 2ctf s LYS 69 CO 0.92 -0.46 0.13 0.42 0.10 0.00 0.00 175.35 176.46 2ctf s ILE 70 N -3.39 4.82 -0.22 3.79 1.01 -0.54 -3.04 121.20 123.64 2ctf s ILE 70 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 60.65 60.48 2ctf s ILE 70 Cb 0.00 -3.28 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 2ctf s ILE 70 CO -0.09 0.29 0.47 -0.89 0.00 0.00 0.00 174.94 174.72 2ctf s THR 71 N 1.68 5.13 0.01 2.92 2.01 -1.09 0.02 115.64 126.32 2ctf s THR 71 Ca 0.07 0.84 0.03 0.00 0.31 0.00 0.00 61.69 62.93 2ctf s THR 71 Cb -0.16 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 2ctf s THR 71 CO 0.07 0.17 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.37 2ctf s LEU 72 N 1.75 3.29 -0.03 4.42 2.01 0.86 -1.89 118.68 129.10 2ctf s LEU 72 Ca 0.21 -0.11 0.01 0.00 0.01 0.00 0.00 54.13 54.25 2ctf s LEU 72 Cb -0.15 -1.90 0.03 0.00 0.01 0.00 0.00 46.19 44.17 2ctf s LEU 72 CO 0.09 0.27 -0.01 -1.61 1.01 0.00 0.00 176.35 176.10 2ctf s GLU 73 N -1.53 0.47 0.00 1.70 2.02 -0.95 -1.79 118.70 118.62 2ctf s GLU 73 Ca 0.18 0.02 0.00 0.00 0.02 0.00 0.00 54.97 55.19 2ctf s GLU 73 Cb -0.11 -0.60 0.00 0.00 0.10 0.00 0.00 34.13 33.52 2ctf s GLU 73 CO 0.09 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.66 2ctf n GLY 74 N 4.12 -0.27 3.71 -1.39 0.00 -0.11 -0.52 105.19 110.73 2ctf n GLY 74 Ca -0.26 -1.51 -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 -2.00 4.32 0.53 1.61 0.04 -1.26 -1.27 135.00 136.98 2ctf s PRO 75 Ca 0.00 2.03 0.42 0.00 0.04 0.00 0.00 61.00 63.49 2ctf s PRO 75 Cb 0.00 -3.31 1.61 0.00 0.04 0.00 0.00 34.50 32.84 2ctf s PRO 75 CO 0.00 -0.44 1.67 0.00 0.04 0.00 0.00 177.00 178.27 2ctf h THR 76 N 4.39 0.18 0.58 1.26 1.03 -1.85 0.24 112.91 118.74 2ctf h THR 76 Ca -0.41 -0.01 -0.03 0.00 -0.01 0.00 0.00 66.41 65.95 2ctf h THR 76 Cb 1.21 0.15 0.01 0.00 -1.07 0.00 0.00 68.15 68.45 2ctf h THR 76 CO 0.87 0.00 -0.28 -0.08 -0.01 0.00 0.00 175.52 176.02 2ctf h GLU 77 N 0.03 -0.75 -0.10 0.00 4.81 -1.99 -2.27 114.58 114.29 2ctf h GLU 77 Ca 0.78 0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.97 2ctf h GLU 77 Cb 3.00 0.17 0.00 0.00 0.63 0.00 0.00 28.75 32.56 2ctf h GLU 77 CO -0.08 -0.48 -0.30 -0.44 -0.73 0.00 0.00 179.01 176.98 2ctf h ASP 78 N -0.83 0.44 -1.05 1.04 5.19 -1.06 -3.20 116.42 116.96 2ctf h ASP 78 Ca -0.08 -0.60 0.30 0.00 -0.62 0.00 0.00 57.03 56.04 2ctf h ASP 78 Cb 0.62 -0.13 -0.13 0.00 0.18 0.00 0.00 39.33 39.87 2ctf h ASP 78 CO 0.13 0.96 0.63 0.58 -3.12 0.00 0.00 179.24 178.42 2ctf h VAL 79 N -0.05 0.39 -0.48 -1.35 2.07 -0.76 0.70 116.25 116.77 2ctf h VAL 79 Ca -0.01 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 2ctf h VAL 79 Cb 0.92 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2ctf h VAL 79 CO 0.06 0.07 -0.00 0.77 0.02 0.00 0.00 177.57 178.49 2ctf h SER 80 N 0.38 0.77 0.00 0.57 4.64 -1.40 0.28 113.55 118.79 2ctf h SER 80 Ca 0.69 -0.19 -0.10 0.00 -0.47 0.00 0.00 61.79 61.73 2ctf h SER 80 Cb 1.62 -0.20 0.01 0.00 -0.31 0.00 0.00 62.40 63.52 2ctf h SER 80 CO -0.49 0.84 -0.40 0.58 -0.87 0.00 0.00 176.83 176.49 2ctf h VAL 81 N 0.74 1.50 0.39 0.95 2.07 0.20 -2.47 116.25 119.64 2ctf h VAL 81 Ca 0.14 -2.02 -0.02 0.00 0.82 0.00 0.00 66.70 65.63 2ctf h VAL 81 Cb 0.46 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 2ctf h VAL 81 CO 0.02 0.57 -0.19 0.00 0.02 0.00 0.00 177.57 177.99 2ctf h ALA 82 N 0.27 -0.53 -0.88 1.67 0.00 -0.60 -1.26 119.26 117.94 2ctf h ALA 82 Ca -0.05 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.78 2ctf h ALA 82 Cb 1.14 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 19.06 2ctf h ALA 82 CO 0.08 -0.63 0.51 -0.56 0.00 0.00 0.00 179.25 178.65 2ctf h GLN 83 N -0.86 0.81 -0.31 0.00 3.07 -0.60 -1.81 115.11 115.41 2ctf h GLN 83 Ca -0.05 -0.05 -0.03 0.00 0.09 0.00 0.00 58.65 58.61 2ctf h GLN 83 Cb 0.54 -0.18 -0.01 0.00 0.08 0.00 0.00 27.48 27.91 2ctf h GLN 83 CO 0.09 0.54 0.10 0.93 0.09 0.00 0.00 178.83 180.57 2ctf h GLU 84 N 0.84 0.49 -0.89 0.06 4.39 -1.42 -1.73 114.58 116.32 2ctf h GLU 84 Ca 0.43 -0.11 0.14 0.00 0.34 0.00 0.00 59.36 60.16 2ctf h GLU 84 Cb 0.42 -0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 28.91 2ctf h GLU 84 CO -0.26 0.53 0.49 1.96 -1.16 0.00 0.00 179.01 180.57 2ctf h GLN 85 N 0.35 0.71 -0.18 2.33 4.20 -0.39 -0.48 115.11 121.64 2ctf h GLN 85 Ca 0.10 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.61 2ctf h GLN 85 Cb 0.25 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2ctf h GLN 85 CO -0.00 0.47 -0.54 0.82 -0.67 0.00 0.00 178.83 178.90 2ctf h ILE 86 N 0.73 1.32 0.00 2.54 2.04 -1.21 -2.82 117.51 120.12 2ctf h ILE 86 Ca 0.47 -1.79 0.00 0.00 1.00 0.00 0.00 64.86 64.54 2ctf h ILE 86 Cb 0.60 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 2ctf h ILE 86 CO -0.33 0.56 0.00 -0.33 0.00 0.00 0.00 178.15 178.05 2ctf h GLU 87 N 0.42 0.00 0.00 2.37 5.08 -0.17 -1.65 114.58 120.63 2ctf h GLU 87 Ca 0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 2ctf h GLU 87 Cb 1.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2ctf h GLU 87 CO 0.10 0.00 -0.36 0.78 -1.00 0.00 0.00 179.01 178.53 2ctf h GLY 88 N 0.42 0.00 1.09 -3.84 0.00 -1.17 -3.08 103.07 96.50 2ctf h GLY 88 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2ctf h GLY 88 CO 0.00 0.00 0.51 0.00 0.00 0.00 0.00 176.54 177.05 2ctf h MET 89 N -1.00 1.20 -0.56 4.80 -0.00 -1.48 -0.79 114.93 117.10 2ctf h MET 89 Ca -0.08 -0.12 -0.04 0.00 -0.00 0.00 0.00 59.70 59.46 2ctf h MET 89 Cb 0.80 -0.25 -0.02 0.00 -0.00 0.00 0.00 31.60 32.13 2ctf h MET 89 CO -0.05 0.85 0.18 0.28 -0.00 0.00 0.00 176.91 178.18 2ctf h VAL 90 N 1.21 1.23 -0.20 -0.10 2.07 -1.47 0.32 116.25 119.32 2ctf h VAL 90 Ca 0.31 -0.78 -0.11 0.00 0.82 0.00 0.00 66.70 66.94 2ctf h VAL 90 Cb -0.02 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2ctf h VAL 90 CO -0.06 0.29 -0.34 0.50 0.02 0.00 0.00 177.57 177.98 2ctf h LYS 91 N 0.78 0.42 0.04 1.57 3.64 -1.37 -2.54 116.57 119.11 2ctf h LYS 91 Ca 0.18 -0.19 -0.26 0.00 -1.27 0.00 0.00 60.65 59.11 2ctf h LYS 91 Cb 0.27 -0.01 0.02 0.00 -0.41 0.00 0.00 32.23 32.09 2ctf h LYS 91 CO -0.01 0.72 -1.08 0.22 -2.27 0.00 0.00 179.45 177.03 2ctf h ASP 92 N 0.36 0.76 -0.39 4.20 3.58 -0.86 -1.42 116.42 122.66 2ctf h ASP 92 Ca 0.04 -0.64 0.00 0.00 0.42 0.00 0.00 57.03 56.85 2ctf h ASP 92 Cb 0.78 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.58 2ctf h ASP 92 CO 0.06 1.45 0.25 -0.07 -2.88 0.00 0.00 179.24 178.05 2ctf h LEU 93 N 0.30 0.46 -0.03 2.28 3.38 -0.28 0.01 115.31 121.42 2ctf h LEU 93 Ca -0.13 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 2ctf h LEU 93 Cb 1.74 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.37 2ctf h LEU 93 CO 0.20 0.35 -0.20 0.40 0.09 0.00 0.00 178.44 179.28 2ctf h ILE 94 N 0.52 1.48 -0.76 1.22 2.04 -1.53 -2.82 117.51 117.66 2ctf h ILE 94 Ca 0.14 -1.71 0.11 0.00 1.00 0.00 0.00 64.86 64.40 2ctf h ILE 94 Cb -0.04 2.50 -0.08 0.00 -0.74 0.00 0.00 36.82 38.46 2ctf h ILE 94 CO -0.03 0.47 0.38 0.78 0.00 0.00 0.00 178.15 179.75 2ctf h ASN 95 N -0.39 0.48 0.68 1.72 4.21 -1.19 0.97 115.58 122.06 2ctf h ASN 95 Ca -0.02 0.07 -0.03 0.00 1.21 0.00 0.00 56.30 57.53 2ctf h ASN 95 Cb 0.88 -0.00 0.01 0.00 -1.12 0.00 0.00 38.32 38.08 2ctf h ASN 95 CO 0.04 0.25 -0.33 0.03 -1.29 0.00 0.00 177.43 176.13 2ctf h ARG 96 N 0.61 -0.88 -1.51 0.81 2.47 -1.04 -3.04 114.38 111.79 2ctf h ARG 96 Ca 0.39 0.06 -0.41 0.00 -1.26 0.00 0.00 59.98 58.76 2ctf h ARG 96 Cb 0.47 0.20 -0.17 0.00 -1.65 0.00 0.00 29.97 28.82 2ctf h ARG 96 CO -0.31 -0.56 0.49 0.43 0.56 0.00 0.00 179.97 180.59 2ctf n SER 97 N -5.44 6.68 -4.85 7.04 7.64 -1.02 -4.95 113.62 118.72 2ctf n SER 97 Ca -0.13 -3.20 -0.34 0.00 1.01 0.00 0.00 58.87 56.20 2ctf n SER 97 Cb 0.38 -1.07 -0.06 0.00 -1.01 0.00 0.00 64.21 62.46 2ctf n SER 97 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ctf s GLY 98 N -0.12 2.40 0.27 0.23 0.00 0.31 -4.92 107.32 105.48 2ctf s GLY 98 Ca 0.40 -0.18 -0.29 0.00 0.00 0.00 0.00 44.72 44.64 2ctf s GLY 98 CO -0.04 0.05 1.25 2.56 0.00 0.00 0.00 173.10 176.93 2ctf s PRO 99 N -2.21 4.44 0.18 2.90 0.04 -1.26 -5.00 135.00 134.09 2ctf s PRO 99 Ca 0.40 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.19 2ctf s PRO 99 Cb -0.14 -3.15 -0.08 0.00 0.04 0.00 0.00 34.50 31.18 2ctf s PRO 99 CO 0.20 -0.11 0.97 -1.12 0.04 0.00 0.00 177.00 176.98 2ctf s SER 100 N -0.27 7.53 0.61 6.66 0.01 -1.26 -5.02 113.70 121.95 2ctf s SER 100 Ca 0.51 1.92 -0.18 0.00 1.31 0.00 0.00 55.95 59.50 2ctf s SER 100 Cb -0.36 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.23 2ctf s SER 100 CO 0.44 0.02 1.19 -0.44 0.41 0.00 0.00 173.24 174.86 2ctf s SER 101 N -0.59 5.14 0.00 2.44 0.01 -1.26 -5.34 113.70 114.10 2ctf s SER 101 Ca 0.44 2.34 0.07 0.00 1.31 0.00 0.00 55.95 60.11 2ctf s SER 101 Cb -0.26 -2.59 0.05 0.00 0.21 0.00 0.00 66.02 63.43 2ctf s SER 101 CO 0.32 -1.62 0.71 0.61 0.41 0.00 0.00 173.24 173.67