#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 3.16 0.28 1.61 0.15 -1.26 -5.16 113.70 112.48 2ctf s SER 2 Ca 0.00 -1.39 0.11 0.00 0.70 0.00 0.00 55.95 55.38 2ctf s SER 2 Cb 0.00 -0.21 -0.05 0.00 -1.71 0.00 0.00 66.02 64.05 2ctf s SER 2 CO 0.00 -0.54 -0.14 -0.44 1.20 0.00 0.00 173.24 173.31 2ctf s SER 3 N -3.61 3.88 0.00 5.45 0.01 -1.26 -5.15 113.70 113.02 2ctf s SER 3 Ca 0.35 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.69 2ctf s SER 3 Cb 0.09 -0.46 0.00 0.00 0.21 0.00 0.00 66.02 65.86 2ctf s SER 3 CO 0.16 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.45 2ctf n GLY 4 N -0.70 6.08 3.20 3.44 0.00 -1.26 -5.18 105.19 110.77 2ctf n GLY 4 Ca -0.05 -1.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 2ctf n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctf s SER 5 N 1.00 -0.08 0.25 1.61 0.15 -1.26 -5.05 113.70 110.31 2ctf s SER 5 Ca 0.00 -0.13 -0.13 0.00 0.70 0.00 0.00 55.95 56.40 2ctf s SER 5 Cb 0.00 0.29 0.33 0.00 -1.71 0.00 0.00 66.02 64.94 2ctf s SER 5 CO 0.00 -0.49 1.57 0.28 1.20 0.00 0.00 173.24 175.80 2ctf h SER 6 N 3.73 -1.03 0.00 5.45 0.02 -2.09 -3.45 113.55 116.17 2ctf h SER 6 Ca -0.31 0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2ctf h SER 6 Cb 1.19 0.62 0.00 0.00 0.14 0.00 0.00 62.40 64.34 2ctf h SER 6 CO 0.43 -0.30 0.00 0.61 -1.14 0.00 0.00 176.83 176.43 2ctf n GLY 7 N -1.54 1.33 3.82 -3.77 0.00 -1.26 -5.15 105.19 98.62 2ctf n GLY 7 Ca 0.12 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 2ctf n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ctf s GLU 8 N -2.00 4.26 0.93 1.61 -1.05 -1.26 -5.06 118.70 116.13 2ctf s GLU 8 Ca 0.00 0.96 -0.12 0.00 -0.15 0.00 0.00 54.97 55.66 2ctf s GLU 8 Cb 0.00 -2.66 0.15 0.00 -0.44 0.00 0.00 34.13 31.18 2ctf s GLU 8 CO 0.00 0.25 1.09 -1.25 0.95 0.00 0.00 175.26 176.31 2ctf s PRO 9 N -2.40 0.94 0.44 -4.83 0.04 -1.26 -5.07 135.00 122.86 2ctf s PRO 9 Ca 0.50 0.70 0.08 0.00 0.04 0.00 0.00 61.00 62.32 2ctf s PRO 9 Cb -0.14 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2ctf s PRO 9 CO 0.20 -2.43 0.49 -1.21 0.04 0.00 0.00 177.00 174.09 2ctf s GLU 10 N -4.95 2.62 -0.83 4.56 0.41 -1.26 -5.07 118.70 114.18 2ctf s GLU 10 Ca 0.64 -1.45 -0.06 0.00 -0.41 0.00 0.00 54.97 53.69 2ctf s GLU 10 Cb -0.18 -2.54 0.21 0.00 -1.78 0.00 0.00 34.13 29.84 2ctf s GLU 10 CO 0.57 -0.30 0.73 0.15 -0.49 0.00 0.00 175.26 175.91 2ctf s LYS 11 N -4.27 3.29 0.08 1.61 3.01 -1.26 -5.03 119.74 117.17 2ctf s LYS 11 Ca 0.51 -2.84 0.02 0.00 -1.01 0.00 0.00 55.97 52.65 2ctf s LYS 11 Cb -0.06 -4.10 -0.04 0.00 -1.01 0.00 0.00 37.83 32.62 2ctf s LYS 11 CO 0.31 -1.24 -0.06 -0.48 0.51 0.00 0.00 175.35 174.38 2ctf s LEU 12 N -0.57 2.46 0.00 3.17 0.05 -1.26 -5.15 118.68 117.38 2ctf s LEU 12 Ca 0.22 -0.91 0.00 0.00 0.05 0.00 0.00 54.13 53.49 2ctf s LEU 12 Cb -0.12 -0.06 0.00 0.00 -2.05 0.00 0.00 46.19 43.96 2ctf s LEU 12 CO -0.08 -0.43 0.00 0.61 -0.55 0.00 0.00 176.35 175.90 2ctf n GLY 13 N 0.27 1.73 1.96 -3.48 0.00 -1.26 -5.04 105.19 99.37 2ctf n GLY 13 Ca -0.14 0.36 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 2ctf n GLY 13 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ctf n GLN 14 N 0.00 3.39 -3.64 1.61 1.13 -1.26 -5.02 117.38 113.59 2ctf n GLN 14 Ca 0.00 -4.02 -0.02 0.00 -1.94 0.00 0.00 57.00 51.02 2ctf n GLN 14 Cb 0.00 -2.24 -0.01 0.00 0.11 0.00 0.00 30.24 28.10 2ctf n GLN 14 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ctf s ALA 15 N -3.60 -1.99 0.07 -1.58 0.00 -1.26 -5.16 121.76 108.23 2ctf s ALA 15 Ca 0.52 0.74 -0.10 0.00 0.00 0.00 0.00 51.96 53.12 2ctf s ALA 15 Cb 0.42 0.36 -0.06 0.00 0.00 0.00 0.00 23.12 23.84 2ctf s ALA 15 CO 0.03 -0.92 0.38 -0.48 0.00 0.00 0.00 175.76 174.77 2ctf s LEU 16 N -2.76 4.36 0.09 0.00 0.05 -1.26 -5.10 118.68 114.06 2ctf s LEU 16 Ca 0.12 0.77 -0.05 0.00 0.05 0.00 0.00 54.13 55.01 2ctf s LEU 16 Cb 0.01 -2.93 -0.02 0.00 -2.05 0.00 0.00 46.19 41.21 2ctf s LEU 16 CO -0.03 0.19 0.11 0.42 -0.55 0.00 0.00 176.35 176.49 2ctf s THR 17 N -1.37 0.15 -0.27 5.48 -4.23 -1.26 -5.12 115.64 109.02 2ctf s THR 17 Ca 0.32 -1.51 -0.29 0.00 -1.18 0.00 0.00 61.69 59.03 2ctf s THR 17 Cb -0.14 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.15 2ctf s THR 17 CO 0.18 -0.70 1.20 -1.61 -0.54 0.00 0.00 174.62 173.14 2ctf s GLU 18 N -3.92 4.07 0.96 3.99 2.02 -1.26 -5.00 118.70 119.57 2ctf s GLU 18 Ca 0.10 1.31 -0.13 0.00 0.02 0.00 0.00 54.97 56.26 2ctf s GLU 18 Cb 0.06 -3.79 0.03 0.00 0.10 0.00 0.00 34.13 30.53 2ctf s GLU 18 CO -0.08 -0.91 0.30 0.28 0.02 0.00 0.00 175.26 174.87 2ctf n VAL 19 N 5.82 0.00 -3.04 2.63 0.31 -1.26 -4.89 118.33 117.89 2ctf n VAL 19 Ca 0.13 -0.22 -0.43 0.00 -0.01 0.00 0.00 64.34 63.81 2ctf n VAL 19 Cb 0.46 -0.58 0.01 0.00 -0.91 0.00 0.00 33.84 32.82 2ctf n VAL 19 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ctf n TYR 20 N -3.58 2.95 -0.80 3.52 0.18 -1.26 -4.89 117.16 113.29 2ctf n TYR 20 Ca 0.06 -2.88 -0.10 0.00 1.88 0.00 0.00 57.90 56.86 2ctf n TYR 20 Cb 0.54 -1.39 -0.13 0.00 -0.38 0.00 0.00 39.34 37.98 2ctf n TYR 20 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2ctf n ALA 21 N 1.77 5.28 -3.15 -3.48 0.00 -1.26 -4.51 120.51 115.15 2ctf n ALA 21 Ca 0.26 -1.48 0.05 0.00 0.00 0.00 0.00 53.44 52.28 2ctf n ALA 21 Cb 0.35 -2.32 -0.01 0.00 0.00 0.00 0.00 19.45 17.46 2ctf n ALA 21 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2ctf s LYS 22 N 1.45 0.14 0.26 0.00 2.20 -1.26 -5.18 119.74 117.35 2ctf s LYS 22 Ca 0.53 0.23 0.04 0.00 -0.36 0.00 0.00 55.97 56.41 2ctf s LYS 22 Cb 0.25 0.12 -0.06 0.00 -1.51 0.00 0.00 37.83 36.64 2ctf s LYS 22 CO -0.00 -0.19 -0.00 0.00 -0.36 0.00 0.00 175.35 174.80 2ctf s ALA 23 N 2.96 2.05 0.93 3.13 0.00 -1.26 -5.16 121.76 124.41 2ctf s ALA 23 Ca 0.05 -1.86 -0.15 0.00 0.00 0.00 0.00 51.96 50.00 2ctf s ALA 23 Cb -0.08 0.46 0.17 0.00 0.00 0.00 0.00 23.12 23.67 2ctf s ALA 23 CO -0.13 -0.22 1.24 -0.80 0.00 0.00 0.00 175.76 175.85 2ctf s ASN 24 N -3.37 3.38 -0.42 0.00 -0.87 -1.26 -4.92 114.94 107.47 2ctf s ASN 24 Ca 0.30 0.52 -0.06 0.00 -1.57 0.00 0.00 52.86 52.06 2ctf s ASN 24 Cb 0.06 -0.77 -0.12 0.00 -0.02 0.00 0.00 41.25 40.40 2ctf s ASN 24 CO 0.11 -2.59 3.20 -1.20 -2.57 0.00 0.00 177.10 174.05 2ctf n SER 25 N -3.72 6.23 -3.28 -1.22 7.64 -1.26 -4.69 113.62 113.32 2ctf n SER 25 Ca 0.12 -2.77 0.03 0.00 1.01 0.00 0.00 58.87 57.26 2ctf n SER 25 Cb 0.60 -1.37 -0.03 0.00 -1.01 0.00 0.00 64.21 62.39 2ctf n SER 25 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2ctf s PHE 26 N 0.12 -0.57 -0.09 1.43 5.36 -1.26 -4.85 117.98 118.11 2ctf s PHE 26 Ca 0.64 0.84 0.01 0.00 -0.96 0.00 0.00 56.93 57.46 2ctf s PHE 26 Cb 0.31 0.29 0.02 0.00 -0.34 0.00 0.00 43.02 43.30 2ctf s PHE 26 CO -0.08 -0.29 -0.09 0.99 -1.46 0.00 0.00 175.22 174.28 2ctf s THR 27 N 2.56 1.01 -0.27 0.12 2.01 0.28 -4.90 115.64 116.45 2ctf s THR 27 Ca -0.01 -0.33 0.01 0.00 0.31 0.00 0.00 61.69 61.68 2ctf s THR 27 Cb -0.07 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.50 2ctf s THR 27 CO -0.15 0.35 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.37 2ctf s VAL 28 N 1.32 2.45 0.27 3.82 1.01 -1.26 -1.14 120.40 126.86 2ctf s VAL 28 Ca -0.03 -1.56 0.09 0.00 0.00 0.00 0.00 61.98 60.49 2ctf s VAL 28 Cb -0.14 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 2ctf s VAL 28 CO -0.04 -0.06 -0.13 -0.55 0.00 0.00 0.00 175.10 174.32 2ctf s SER 29 N 1.15 3.10 0.19 3.32 0.15 -0.97 -4.92 113.70 115.73 2ctf s SER 29 Ca -0.08 -1.10 0.10 0.00 0.70 0.00 0.00 55.95 55.58 2ctf s SER 29 Cb -0.20 -0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 63.84 2ctf s SER 29 CO -0.04 -0.16 -0.21 -0.44 1.20 0.00 0.00 173.24 173.59 2ctf s SER 30 N -3.45 3.14 -0.15 5.45 0.01 -1.26 0.84 113.70 118.27 2ctf s SER 30 Ca 0.28 -0.89 0.01 0.00 1.31 0.00 0.00 55.95 56.66 2ctf s SER 30 Cb -0.00 -0.22 0.02 0.00 0.21 0.00 0.00 66.02 66.03 2ctf s SER 30 CO 0.12 0.04 -0.17 -0.69 0.41 0.00 0.00 173.24 172.95 2ctf s VAL 31 N -1.97 1.77 -0.43 3.43 1.01 -0.03 -4.95 120.40 119.23 2ctf s VAL 31 Ca 0.20 -0.77 -0.27 0.00 0.00 0.00 0.00 61.98 61.14 2ctf s VAL 31 Cb -0.06 -1.62 -0.07 0.00 0.00 0.00 0.00 36.38 34.62 2ctf s VAL 31 CO 0.09 0.49 2.37 0.00 0.00 0.00 0.00 175.10 178.05 2ctf n ALA 32 N 4.57 1.05 -2.98 5.51 0.00 -1.26 -2.23 120.51 125.16 2ctf n ALA 32 Ca -0.19 -0.68 -0.12 0.00 0.00 0.00 0.00 53.44 52.45 2ctf n ALA 32 Cb 0.50 -3.06 -0.12 0.00 0.00 0.00 0.00 19.45 16.77 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 10.81 -0.18 1.23 0.00 0.00 -1.25 -4.99 121.76 127.38 2ctf s ALA 33 Ca 1.01 0.07 -0.20 0.00 0.00 0.00 0.00 51.96 52.84 2ctf s ALA 33 Cb -0.30 -0.06 0.30 0.00 0.00 0.00 0.00 23.12 23.05 2ctf s ALA 33 CO 0.31 -0.08 1.11 -1.25 0.00 0.00 0.00 175.76 175.85 2ctf s PRO 34 N -0.37 -1.46 0.00 0.00 0.04 -1.26 -3.35 135.00 128.60 2ctf s PRO 34 Ca -0.04 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 60.84 2ctf s PRO 34 Cb -0.03 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.93 2ctf s PRO 34 CO 0.00 -3.85 0.00 0.45 0.04 0.00 0.00 177.00 173.64 2ctf n SER 35 N -4.84 3.82 0.26 6.66 2.88 -1.26 -4.65 113.62 116.49 2ctf n SER 35 Ca 0.14 -0.04 0.17 0.00 -1.33 0.00 0.00 58.87 57.81 2ctf n SER 35 Cb 0.60 0.85 0.83 0.00 -0.75 0.00 0.00 64.21 65.75 2ctf n SER 35 CO 0.00 0.00 0.00 4.11 -1.23 0.00 0.00 175.04 177.92 2ctf h TRP 36 N 0.00 0.00 -0.39 0.66 5.08 -1.97 -1.91 115.95 117.42 2ctf h TRP 36 Ca 0.00 0.00 -0.22 0.00 1.08 0.00 0.00 58.89 59.75 2ctf h TRP 36 Cb 0.00 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 26.03 2ctf h TRP 36 CO 0.00 0.00 -0.11 1.47 -1.28 0.00 0.00 178.44 178.52 2ctf n LEU 37 N -2.81 4.27 0.16 0.11 -0.00 -1.26 -4.63 117.00 112.84 2ctf n LEU 37 Ca -0.01 -3.87 0.02 0.00 -0.00 0.00 0.00 56.01 52.15 2ctf n LEU 37 Cb 0.16 -0.63 0.26 0.00 -0.00 0.00 0.00 43.42 43.21 2ctf n LEU 37 CO 0.20 1.34 0.60 0.45 -0.00 0.00 0.00 177.39 179.98 2ctf h HIS 38 N 1.10 0.00 -0.19 1.47 3.86 -1.63 0.35 115.15 120.11 2ctf h HIS 38 Ca 0.24 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.33 2ctf h HIS 38 Cb 1.63 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.08 2ctf h HIS 38 CO 1.05 0.49 -0.40 0.00 0.86 0.00 0.00 177.93 179.93 2ctf h ARG 39 N 0.00 0.43 0.11 2.45 2.47 -1.83 -1.33 114.38 116.68 2ctf h ARG 39 Ca -0.00 -0.21 -0.34 0.00 -1.26 0.00 0.00 59.98 58.17 2ctf h ARG 39 Cb 0.97 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.27 2ctf h ARG 39 CO 0.06 0.76 -1.81 0.74 0.56 0.00 0.00 179.97 180.29 2ctf h PHE 40 N 0.36 0.41 -0.49 3.04 0.04 -1.88 -2.74 116.94 115.68 2ctf h PHE 40 Ca 0.03 -0.30 -0.08 0.00 2.80 0.00 0.00 57.97 60.42 2ctf h PHE 40 Cb 0.87 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.98 2ctf h PHE 40 CO 0.03 1.53 -0.01 0.97 -0.60 0.00 0.00 178.31 180.22 2ctf h ILE 41 N 0.06 1.25 0.04 -0.55 2.10 -0.94 -3.22 117.51 116.26 2ctf h ILE 41 Ca -0.35 -1.04 -0.06 0.00 1.08 0.00 0.00 64.86 64.50 2ctf h ILE 41 Cb 2.04 0.89 0.01 0.00 -1.09 0.00 0.00 36.82 38.66 2ctf h ILE 41 CO 0.12 0.37 -0.25 0.40 -1.08 0.00 0.00 178.15 177.71 2ctf h ILE 42 N 0.76 1.71 0.00 2.19 2.04 -1.39 -3.41 117.51 119.41 2ctf h ILE 42 Ca 0.14 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.60 2ctf h ILE 42 Cb 0.48 3.34 0.00 0.00 -0.74 0.00 0.00 36.82 39.90 2ctf h ILE 42 CO 0.02 0.64 0.00 0.61 0.00 0.00 0.00 178.15 179.42 2ctf n GLY 43 N 1.63 0.42 3.71 5.37 0.00 -1.03 -1.60 105.19 113.69 2ctf n GLY 43 Ca -0.11 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 2ctf n GLY 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ctf n LYS 44 N 0.63 2.80 -2.82 1.61 5.02 -1.26 -1.95 118.16 122.18 2ctf n LYS 44 Ca 0.00 1.01 -0.10 0.00 -2.02 0.00 0.00 58.31 57.21 2ctf n LYS 44 Cb 0.00 -2.87 -0.01 0.00 -0.02 0.00 0.00 35.03 32.13 2ctf n LYS 44 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2ctf n LYS 45 N 4.38 -2.63 -2.76 1.97 3.00 -1.26 -1.67 118.16 119.20 2ctf n LYS 45 Ca 0.16 0.16 -0.01 0.00 -0.00 0.00 0.00 58.31 58.63 2ctf n LYS 45 Cb 0.36 -4.71 0.00 0.00 0.00 0.00 0.00 35.03 30.68 2ctf n LYS 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ctf n GLY 46 N -0.68 -1.03 0.13 3.14 0.00 -0.83 -4.99 105.19 100.93 2ctf n GLY 46 Ca -0.01 0.34 -0.18 0.00 0.00 0.00 0.00 46.02 46.17 2ctf n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ctf n GLN 47 N -1.72 0.68 -0.11 1.61 10.64 -0.67 -3.79 117.38 124.01 2ctf n GLN 47 Ca -0.00 0.17 -0.12 0.00 -1.83 0.00 0.00 57.00 55.22 2ctf n GLN 47 Cb 0.51 -1.56 -0.03 0.00 -0.86 0.00 0.00 30.24 28.29 2ctf n GLN 47 CO 0.00 0.00 0.00 -0.91 -1.83 0.00 0.00 177.06 174.32 2ctf h ASN 48 N 0.02 0.63 0.12 2.61 2.35 -1.59 -2.85 115.58 116.87 2ctf h ASN 48 Ca -0.54 -0.38 -0.01 0.00 -0.55 0.00 0.00 56.30 54.83 2ctf h ASN 48 Cb 1.94 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 40.14 2ctf h ASN 48 CO -0.05 0.86 -0.06 -0.07 -1.65 0.00 0.00 177.43 176.47 2ctf h LEU 49 N 0.39 -0.14 -1.01 1.61 3.38 -1.77 -2.79 115.31 114.99 2ctf h LEU 49 Ca 0.08 -0.10 0.22 0.00 0.09 0.00 0.00 57.88 58.16 2ctf h LEU 49 Cb 0.60 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.27 2ctf h LEU 49 CO 0.03 0.01 0.61 0.00 0.09 0.00 0.00 178.44 179.18 2ctf h ALA 50 N 0.58 1.73 0.67 1.53 0.00 -1.65 -1.88 119.26 120.23 2ctf h ALA 50 Ca -0.02 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2ctf h ALA 50 Cb 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2ctf h ALA 50 CO 0.03 -0.15 -0.49 0.87 0.00 0.00 0.00 179.25 179.51 2ctf h LYS 51 N 0.68 -1.07 0.01 0.00 1.57 -1.25 -0.33 116.57 116.20 2ctf h LYS 51 Ca 0.61 0.07 0.02 0.00 -1.87 0.00 0.00 60.65 59.48 2ctf h LYS 51 Cb 1.05 0.24 -0.05 0.00 0.08 0.00 0.00 32.23 33.54 2ctf h LYS 51 CO -0.42 -0.71 -0.54 0.82 -0.57 0.00 0.00 179.45 178.03 2ctf h ILE 52 N -1.11 0.00 -0.85 1.86 2.04 -1.23 0.37 117.51 118.60 2ctf h ILE 52 Ca -0.09 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.01 2ctf h ILE 52 Cb 0.91 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 2ctf h ILE 52 CO 0.04 0.00 0.60 0.71 0.00 0.00 0.00 178.15 179.50 2ctf h THR 53 N -0.68 0.59 -0.23 -0.27 1.35 -1.37 0.25 112.91 112.55 2ctf h THR 53 Ca 0.01 -0.02 -0.00 0.00 -0.55 0.00 0.00 66.41 65.85 2ctf h THR 53 Cb 0.73 0.53 -0.01 0.00 -1.73 0.00 0.00 68.15 67.67 2ctf h THR 53 CO -0.35 0.01 0.14 -0.61 -0.25 0.00 0.00 175.52 174.46 2ctf h GLN 54 N 0.05 0.32 0.00 4.72 4.15 0.90 -1.29 115.11 123.96 2ctf h GLN 54 Ca 0.41 -0.03 -0.22 0.00 0.77 0.00 0.00 58.65 59.58 2ctf h GLN 54 Cb 1.55 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 29.14 2ctf h GLN 54 CO -0.03 0.26 -1.08 0.37 -1.93 0.00 0.00 178.83 176.42 2ctf h GLN 55 N 0.29 0.00 -2.84 1.69 5.75 -0.68 -3.39 115.11 115.92 2ctf h GLN 55 Ca 0.08 -0.00 -0.61 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 28.17 2ctf h GLN 55 CO -0.02 0.94 -0.72 -1.64 -2.65 0.00 0.00 178.83 174.74 2ctf s MET 56 N -2.70 1.83 0.19 1.69 -1.94 0.71 -4.94 119.30 114.13 2ctf s MET 56 Ca 0.00 -2.81 -0.06 0.00 -1.71 0.00 0.00 55.69 51.12 2ctf s MET 56 Cb 0.10 -2.65 0.10 0.00 2.01 0.00 0.00 34.83 34.38 2ctf s MET 56 CO 0.82 -1.31 1.53 -1.00 -0.01 0.00 0.00 175.02 175.06 2ctf h PRO 57 N 5.61 0.73 0.00 2.03 0.13 -1.45 -2.94 132.00 136.10 2ctf h PRO 57 Ca 0.17 -0.38 -0.01 0.00 -0.87 0.00 0.00 66.00 64.91 2ctf h PRO 57 Cb 0.82 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 2ctf h PRO 57 CO 0.58 1.00 -0.05 0.87 -0.23 0.00 0.00 178.00 180.17 2ctf h LYS 58 N 0.59 0.00 -6.03 0.86 1.79 -1.92 -3.41 116.57 108.45 2ctf h LYS 58 Ca 0.05 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.95 2ctf h LYS 58 Cb 0.96 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.55 2ctf h LYS 58 CO 0.09 0.05 0.00 0.08 -1.08 0.00 0.00 179.45 178.59 2ctf s VAL 59 N -4.47 4.97 -0.19 0.50 1.01 -1.11 -4.35 120.40 116.77 2ctf s VAL 59 Ca -0.04 1.27 -0.02 0.00 0.00 0.00 0.00 61.98 63.19 2ctf s VAL 59 Cb 0.14 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 2ctf s VAL 59 CO 0.57 0.36 -0.09 -2.28 0.00 0.00 0.00 175.10 173.66 2ctf s HIS 60 N 0.16 2.90 -0.12 5.22 2.46 -0.84 -4.85 115.29 120.22 2ctf s HIS 60 Ca 0.32 -0.91 -0.10 0.00 0.47 0.00 0.00 55.06 54.84 2ctf s HIS 60 Cb -0.18 -2.00 -0.05 0.00 -0.13 0.00 0.00 32.58 30.22 2ctf s HIS 60 CO 0.17 -0.46 0.21 0.42 -2.47 0.00 0.00 174.74 172.60 2ctf s ILE 61 N 1.10 5.37 0.09 0.89 1.01 -1.26 -2.65 121.20 125.75 2ctf s ILE 61 Ca 0.01 0.37 0.06 0.00 0.00 0.00 0.00 60.65 61.08 2ctf s ILE 61 Cb -0.15 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 2ctf s ILE 61 CO -0.02 0.54 -0.14 -0.70 0.00 0.00 0.00 174.94 174.62 2ctf s GLU 62 N -0.54 0.92 -0.11 2.79 2.12 -0.76 -4.98 118.70 118.14 2ctf s GLU 62 Ca 0.15 -1.09 0.01 0.00 0.36 0.00 0.00 54.97 54.40 2ctf s GLU 62 Cb -0.13 -0.89 0.02 0.00 0.26 0.00 0.00 34.13 33.39 2ctf s GLU 62 CO 0.04 0.19 -0.11 -0.06 -0.54 0.00 0.00 175.26 174.78 2ctf s PHE 63 N -1.65 1.71 -0.07 5.30 0.08 -1.26 -3.15 117.98 118.93 2ctf s PHE 63 Ca 0.03 -0.83 -0.04 0.00 0.12 0.00 0.00 56.93 56.22 2ctf s PHE 63 Cb -0.08 -1.31 -0.04 0.00 -0.57 0.00 0.00 43.02 41.03 2ctf s PHE 63 CO 0.03 -0.49 0.11 0.95 -0.10 0.00 0.00 175.22 175.72 2ctf s THR 64 N 1.30 5.09 -0.02 0.64 -4.23 -1.11 -5.02 115.64 112.30 2ctf s THR 64 Ca -0.01 -0.07 -0.13 0.00 -1.18 0.00 0.00 61.69 60.30 2ctf s THR 64 Cb -0.14 -3.25 -0.33 0.00 1.34 0.00 0.00 72.50 70.12 2ctf s THR 64 CO -0.05 0.52 0.80 1.05 -0.54 0.00 0.00 174.62 176.40 2ctf h GLU 65 N 4.66 0.46 0.00 3.99 4.11 -1.99 -3.30 114.58 122.51 2ctf h GLU 65 Ca -0.52 -0.79 -0.20 0.00 0.07 0.00 0.00 59.36 57.92 2ctf h GLU 65 Cb 1.21 0.29 -0.03 0.00 0.50 0.00 0.00 28.75 30.72 2ctf h GLU 65 CO 0.60 1.38 -1.51 0.41 0.07 0.00 0.00 179.01 179.96 2ctf n GLY 66 N 1.81 -0.63 0.44 1.06 0.00 -1.26 -4.34 105.19 102.26 2ctf n GLY 66 Ca -0.22 -0.16 0.25 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.00 0.00 -6.08 1.61 5.08 -2.00 -3.45 114.58 108.74 2ctf h GLU 67 Ca -0.31 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.64 2ctf h GLU 67 Cb 1.19 0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.50 2ctf h GLU 67 CO -0.19 0.00 -0.85 -0.25 -1.00 0.00 0.00 179.01 176.72 2ctf n ASP 68 N -3.80 -2.13 -3.91 1.42 8.00 -1.24 -4.99 116.55 109.91 2ctf n ASP 68 Ca 0.14 -0.85 -0.09 0.00 0.71 0.00 0.00 54.79 54.69 2ctf n ASP 68 Cb 0.88 -4.00 -0.05 0.00 -0.02 0.00 0.00 41.12 37.93 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 -5.88 1.45 -0.27 -1.24 -2.85 -1.21 -3.86 119.74 105.87 2ctf s LYS 69 Ca 0.11 -1.11 -0.01 0.00 -1.00 0.00 0.00 55.97 53.96 2ctf s LYS 69 Cb -0.03 0.48 0.04 0.00 -2.06 0.00 0.00 37.83 36.26 2ctf s LYS 69 CO 0.82 -0.60 -0.05 0.42 0.10 0.00 0.00 175.35 176.04 2ctf s ILE 70 N -3.96 2.78 0.11 3.79 1.01 -0.95 -2.74 121.20 121.24 2ctf s ILE 70 Ca 0.17 -1.27 -0.26 0.00 0.00 0.00 0.00 60.65 59.29 2ctf s ILE 70 Cb -0.01 -2.52 -0.07 0.00 0.01 0.00 0.00 42.46 39.88 2ctf s ILE 70 CO 0.04 0.04 0.79 -0.89 0.00 0.00 0.00 174.94 174.93 2ctf s THR 71 N 1.26 4.53 0.05 2.92 2.01 -1.19 -0.85 115.64 124.37 2ctf s THR 71 Ca -0.03 1.71 0.09 0.00 0.31 0.00 0.00 61.69 63.77 2ctf s THR 71 Cb -0.18 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.15 2ctf s THR 71 CO -0.03 0.44 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.31 2ctf s LEU 72 N -0.58 2.18 -0.07 4.42 2.01 0.25 -1.83 118.68 125.06 2ctf s LEU 72 Ca 0.38 -0.60 -0.01 0.00 0.01 0.00 0.00 54.13 53.91 2ctf s LEU 72 Cb -0.22 -1.24 0.03 0.00 0.01 0.00 0.00 46.19 44.76 2ctf s LEU 72 CO 0.25 0.24 -0.01 -0.70 1.01 0.00 0.00 176.35 177.14 2ctf s GLU 73 N -1.31 0.76 0.00 1.70 2.12 -1.09 -2.29 118.70 118.60 2ctf s GLU 73 Ca 0.11 0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.48 2ctf s GLU 73 Cb -0.10 -1.05 0.00 0.00 0.26 0.00 0.00 34.13 33.24 2ctf s GLU 73 CO 0.02 -0.28 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 2ctf n GLY 74 N 5.01 -1.40 3.73 -1.50 0.00 -0.29 -1.99 105.19 108.74 2ctf n GLY 74 Ca -0.10 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.99 4.37 0.60 1.61 0.04 -1.26 0.10 135.00 138.47 2ctf s PRO 75 Ca 0.00 2.04 0.29 0.00 0.04 0.00 0.00 61.00 63.37 2ctf s PRO 75 Cb 0.00 -3.22 1.20 0.00 0.04 0.00 0.00 34.50 32.52 2ctf s PRO 75 CO 0.00 -0.31 1.56 0.00 0.04 0.00 0.00 177.00 178.28 2ctf h THR 76 N 3.96 0.14 0.65 1.26 1.03 -1.90 0.24 112.91 118.29 2ctf h THR 76 Ca -0.44 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 65.93 2ctf h THR 76 Cb 1.21 0.25 0.01 0.00 -1.07 0.00 0.00 68.15 68.55 2ctf h THR 76 CO 0.81 0.00 -0.31 -0.08 -0.01 0.00 0.00 175.52 175.92 2ctf h GLU 77 N 0.00 -0.84 -0.08 0.00 4.81 -1.98 -2.75 114.58 113.73 2ctf h GLU 77 Ca 0.41 0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.66 2ctf h GLU 77 Cb 2.28 0.19 -0.00 0.00 0.63 0.00 0.00 28.75 31.85 2ctf h GLU 77 CO -0.00 -0.56 -0.09 -0.44 -0.73 0.00 0.00 179.01 177.18 2ctf h ASP 78 N -1.23 0.23 -1.11 1.04 5.19 -1.35 -3.13 116.42 116.05 2ctf h ASP 78 Ca -0.09 -0.49 0.32 0.00 -0.62 0.00 0.00 57.03 56.15 2ctf h ASP 78 Cb 0.67 -0.06 -0.12 0.00 0.18 0.00 0.00 39.33 40.00 2ctf h ASP 78 CO 0.15 0.67 0.69 0.58 -3.12 0.00 0.00 179.24 178.22 2ctf h VAL 79 N -0.22 0.36 -0.66 -1.35 2.07 -0.77 0.66 116.25 116.36 2ctf h VAL 79 Ca 0.01 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 2ctf h VAL 79 Cb 0.61 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 2ctf h VAL 79 CO 0.02 0.06 0.23 -1.28 0.02 0.00 0.00 177.57 176.61 2ctf h SER 80 N 0.30 0.91 0.19 0.57 0.87 -1.43 0.06 113.55 115.03 2ctf h SER 80 Ca 0.69 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 61.10 2ctf h SER 80 Cb 1.82 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.55 2ctf h SER 80 CO -0.41 0.84 -0.09 0.58 -0.53 0.00 0.00 176.83 177.22 2ctf h VAL 81 N 0.96 0.65 -0.10 2.23 2.07 0.22 -2.82 116.25 119.45 2ctf h VAL 81 Ca 0.22 -1.05 0.04 0.00 0.82 0.00 0.00 66.70 66.72 2ctf h VAL 81 Cb 0.24 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 2ctf h VAL 81 CO -0.01 0.17 -0.18 0.00 0.02 0.00 0.00 177.57 177.57 2ctf h ALA 82 N -0.51 -0.14 -0.94 1.67 0.00 -1.17 0.43 119.26 118.60 2ctf h ALA 82 Ca -0.03 0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.07 2ctf h ALA 82 Cb 0.48 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 2ctf h ALA 82 CO 0.04 -0.64 0.60 -0.56 0.00 0.00 0.00 179.25 178.69 2ctf h GLN 83 N -0.24 0.74 -0.23 0.00 3.07 -1.10 -1.14 115.11 116.20 2ctf h GLN 83 Ca 0.09 -0.04 -0.10 0.00 0.09 0.00 0.00 58.65 58.69 2ctf h GLN 83 Cb 0.37 -0.17 -0.00 0.00 0.08 0.00 0.00 27.48 27.76 2ctf h GLN 83 CO -0.25 0.49 -0.23 1.49 0.09 0.00 0.00 178.83 180.42 2ctf h GLU 84 N 0.76 0.56 -0.56 0.06 4.81 -1.00 -2.08 114.58 117.14 2ctf h GLU 84 Ca 0.48 -0.30 0.07 0.00 -0.13 0.00 0.00 59.36 59.48 2ctf h GLU 84 Cb 0.73 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 2ctf h GLU 84 CO -0.25 0.89 0.37 1.96 -0.73 0.00 0.00 179.01 181.25 2ctf h GLN 85 N 0.26 0.47 0.05 1.92 1.08 0.23 -1.36 115.11 117.76 2ctf h GLN 85 Ca 0.04 -0.03 -0.24 0.00 -1.45 0.00 0.00 58.65 56.96 2ctf h GLN 85 Cb 0.79 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 2ctf h GLN 85 CO 0.06 0.31 -1.06 0.82 -0.95 0.00 0.00 178.83 178.01 2ctf h ILE 86 N 0.48 1.44 -0.49 2.54 2.04 -1.22 -3.22 117.51 119.09 2ctf h ILE 86 Ca 0.24 -2.69 -0.03 0.00 1.00 0.00 0.00 64.86 63.38 2ctf h ILE 86 Cb 0.35 2.63 -0.02 0.00 -0.74 0.00 0.00 36.82 39.03 2ctf h ILE 86 CO -0.07 0.79 0.17 -0.33 0.00 0.00 0.00 178.15 178.72 2ctf h GLU 87 N 0.16 0.72 0.21 2.37 5.08 -0.55 -1.89 114.58 120.68 2ctf h GLU 87 Ca -0.10 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 2ctf h GLU 87 Cb 1.73 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.86 2ctf h GLU 87 CO 0.18 0.61 -0.10 0.78 -1.00 0.00 0.00 179.01 179.48 2ctf h GLY 88 N 0.87 -0.29 2.00 -3.84 0.00 -1.41 -1.96 103.07 98.43 2ctf h GLY 88 Ca 0.17 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 2ctf h GLY 88 CO -0.01 -0.11 -0.05 0.00 0.00 0.00 0.00 176.54 176.37 2ctf h MET 89 N -0.56 0.00 0.48 4.80 -0.00 -1.54 -0.10 114.93 118.00 2ctf h MET 89 Ca -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.65 2ctf h MET 89 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.02 2ctf h MET 89 CO 0.05 0.05 -0.23 0.28 -0.00 0.00 0.00 176.91 177.06 2ctf h VAL 90 N 0.00 0.00 -0.93 -0.10 2.07 -1.18 -0.92 116.25 115.20 2ctf h VAL 90 Ca -0.00 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.15 2ctf h VAL 90 Cb 0.10 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.81 2ctf h VAL 90 CO 0.01 0.00 0.60 0.50 0.02 0.00 0.00 177.57 178.70 2ctf h LYS 91 N -1.04 1.15 -0.53 1.57 3.64 -1.26 -1.67 116.57 118.44 2ctf h LYS 91 Ca -0.07 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 2ctf h LYS 91 Cb 0.49 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2ctf h LYS 91 CO 0.11 0.76 0.24 0.22 -2.27 0.00 0.00 179.45 178.51 2ctf h ASP 92 N 1.18 0.70 0.04 4.20 1.82 -1.09 0.98 116.42 124.25 2ctf h ASP 92 Ca 0.36 -0.14 -0.04 0.00 -0.39 0.00 0.00 57.03 56.82 2ctf h ASP 92 Cb -0.02 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 39.80 2ctf h ASP 92 CO -0.11 0.64 -0.12 -0.07 -1.61 0.00 0.00 179.24 177.97 2ctf h LEU 93 N 0.70 0.17 0.07 2.28 3.38 -0.62 -2.32 115.31 118.97 2ctf h LEU 93 Ca 0.18 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.96 2ctf h LEU 93 Cb 0.14 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 40.86 2ctf h LEU 93 CO -0.02 0.31 -0.66 0.40 0.09 0.00 0.00 178.44 178.56 2ctf h ILE 94 N 0.18 1.49 -0.82 1.22 2.04 -0.82 -2.25 117.51 118.54 2ctf h ILE 94 Ca 0.04 -2.30 0.09 0.00 1.00 0.00 0.00 64.86 63.69 2ctf h ILE 94 Cb 0.32 2.93 -0.06 0.00 -0.74 0.00 0.00 36.82 39.27 2ctf h ILE 94 CO 0.02 0.65 0.54 0.78 0.00 0.00 0.00 178.15 180.14 2ctf h ASN 95 N -0.29 0.71 1.60 1.72 2.35 -0.63 -0.04 115.58 121.00 2ctf h ASN 95 Ca -0.10 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 2ctf h ASN 95 Cb 1.44 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 39.67 2ctf h ASN 95 CO 0.13 0.43 -0.41 0.08 -1.65 0.00 0.00 177.43 176.00 2ctf h ARG 96 N 0.79 0.00 -6.77 0.81 -0.00 -1.49 -3.46 114.38 104.26 2ctf h ARG 96 Ca 0.38 0.00 -0.53 0.00 -0.00 0.00 0.00 59.98 59.83 2ctf h ARG 96 Cb 0.42 0.00 0.07 0.00 -0.00 0.00 0.00 29.97 30.46 2ctf h ARG 96 CO -0.15 0.07 0.84 0.45 -0.00 0.00 0.00 179.97 181.18 2ctf s SER 97 N -5.98 6.49 0.00 0.08 0.15 -0.03 -4.80 113.70 109.61 2ctf s SER 97 Ca 0.04 2.82 0.00 0.00 0.70 0.00 0.00 55.95 59.51 2ctf s SER 97 Cb 0.07 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2ctf s SER 97 CO 0.72 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2ctf n GLY 98 N 2.30 2.43 3.56 9.45 0.00 -1.26 -4.91 105.19 116.75 2ctf n GLY 98 Ca 0.08 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 2ctf n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctf s PRO 99 N -4.31 2.59 0.84 1.61 0.04 -1.26 -4.97 135.00 129.54 2ctf s PRO 99 Ca 0.00 0.10 -0.13 0.00 0.04 0.00 0.00 61.00 61.02 2ctf s PRO 99 Cb 0.00 -4.76 0.11 0.00 0.04 0.00 0.00 34.50 29.89 2ctf s PRO 99 CO 0.00 -3.09 1.21 -1.12 0.04 0.00 0.00 177.00 174.04 2ctf s SER 100 N 8.05 4.15 0.86 6.66 0.01 -1.26 -4.99 113.70 127.17 2ctf s SER 100 Ca 0.69 0.62 -0.17 0.00 1.31 0.00 0.00 55.95 58.40 2ctf s SER 100 Cb -0.09 -1.00 -0.13 0.00 0.21 0.00 0.00 66.02 65.01 2ctf s SER 100 CO 0.09 -2.11 -0.47 -1.20 0.41 0.00 0.00 173.24 169.96 2ctf n SER 101 N -3.41 -4.88 0.00 2.44 7.64 -1.26 -5.27 113.62 108.88 2ctf n SER 101 Ca 0.10 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.31 2ctf n SER 101 Cb 0.61 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 2ctf n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64