#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 6.82 -0.45 1.61 0.15 -1.26 -5.06 113.70 115.52 2ctf s SER 2 Ca 0.00 1.02 -0.07 0.00 0.70 0.00 0.00 55.95 57.61 2ctf s SER 2 Cb 0.00 -2.27 0.12 0.00 -1.71 0.00 0.00 66.02 62.16 2ctf s SER 2 CO 0.00 0.19 0.29 -0.55 1.20 0.00 0.00 173.24 174.36 2ctf s SER 3 N -1.51 5.52 0.00 5.45 0.15 -1.26 -4.76 113.70 117.28 2ctf s SER 3 Ca 0.33 -1.97 0.00 0.00 0.70 0.00 0.00 55.95 55.01 2ctf s SER 3 Cb -0.16 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 2ctf s SER 3 CO 0.18 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.60 2ctf n GLY 4 N 4.77 -0.15 3.44 9.45 0.00 -1.26 -5.13 105.19 116.32 2ctf n GLY 4 Ca -0.05 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 2ctf n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctf s SER 5 N -0.66 -0.70 -0.47 1.61 0.01 -1.26 -5.13 113.70 107.10 2ctf s SER 5 Ca 0.00 1.18 -0.15 0.00 1.31 0.00 0.00 55.95 58.29 2ctf s SER 5 Cb 0.00 1.07 0.07 0.00 0.21 0.00 0.00 66.02 67.37 2ctf s SER 5 CO 0.00 -0.21 0.38 -0.55 0.41 0.00 0.00 173.24 173.27 2ctf s SER 6 N 1.39 6.11 0.00 2.44 0.15 -1.26 -4.87 113.70 117.66 2ctf s SER 6 Ca -0.09 -1.32 0.00 0.00 0.70 0.00 0.00 55.95 55.24 2ctf s SER 6 Cb -0.07 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 2ctf s SER 6 CO -0.14 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.27 2ctf n GLY 7 N 5.18 -1.95 2.95 9.45 0.00 -1.26 -5.10 105.19 114.46 2ctf n GLY 7 Ca -0.12 0.91 -0.30 0.00 0.00 0.00 0.00 46.02 46.51 2ctf n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ctf s GLU 8 N 0.00 2.63 1.21 1.61 2.56 -1.26 -5.09 118.70 120.36 2ctf s GLU 8 Ca 0.00 -3.30 -0.19 0.00 0.00 0.00 0.00 54.97 51.47 2ctf s GLU 8 Cb 0.00 -3.54 0.29 0.00 2.00 0.00 0.00 34.13 32.88 2ctf s GLU 8 CO 0.00 -1.27 1.11 -1.25 -0.56 0.00 0.00 175.26 173.28 2ctf s PRO 9 N -1.39 -1.27 -0.24 4.30 0.04 -1.26 -5.08 135.00 130.10 2ctf s PRO 9 Ca 0.25 -0.08 -0.03 0.00 0.04 0.00 0.00 61.00 61.19 2ctf s PRO 9 Cb -0.06 -1.59 0.13 0.00 0.04 0.00 0.00 34.50 33.02 2ctf s PRO 9 CO -0.15 -3.74 0.36 -2.00 0.04 0.00 0.00 177.00 171.51 2ctf s GLU 10 N -5.41 0.33 -0.07 4.56 -6.30 -1.26 -5.13 118.70 105.42 2ctf s GLU 10 Ca 0.71 0.49 -0.01 0.00 -2.50 0.00 0.00 54.97 53.66 2ctf s GLU 10 Cb -0.10 -0.55 0.03 0.00 0.00 0.00 0.00 34.13 33.51 2ctf s GLU 10 CO 0.56 -0.65 -0.01 0.15 0.02 0.00 0.00 175.26 175.33 2ctf s LYS 11 N 2.52 0.69 1.06 4.30 3.01 -1.26 -5.14 119.74 124.91 2ctf s LYS 11 Ca 0.12 0.07 -0.12 0.00 -1.01 0.00 0.00 55.97 55.03 2ctf s LYS 11 Cb -0.15 -1.01 0.22 0.00 -1.01 0.00 0.00 37.83 35.87 2ctf s LYS 11 CO -0.16 -0.29 1.07 -0.48 0.51 0.00 0.00 175.35 176.00 2ctf s LEU 12 N 1.91 1.54 0.00 3.17 0.05 -1.26 -4.47 118.68 119.63 2ctf s LEU 12 Ca 0.04 1.63 0.00 0.00 0.05 0.00 0.00 54.13 55.85 2ctf s LEU 12 Cb -0.12 -3.74 0.00 0.00 -2.05 0.00 0.00 46.19 40.28 2ctf s LEU 12 CO -0.05 -3.64 0.00 0.61 -0.55 0.00 0.00 176.35 172.72 2ctf n GLY 13 N 0.20 1.96 2.94 -3.48 0.00 -1.26 -4.96 105.19 100.59 2ctf n GLY 13 Ca 0.06 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 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 0.11 -0.29 1.61 -0.21 -1.26 -5.13 119.66 114.49 2ctf s GLN 14 Ca 0.00 0.53 -0.19 0.00 0.02 0.00 0.00 55.36 55.72 2ctf s GLN 14 Cb 0.00 -0.17 -0.02 0.00 1.00 0.00 0.00 33.01 33.82 2ctf s GLN 14 CO 0.00 -0.23 0.57 0.00 -2.12 0.00 0.00 175.29 173.51 2ctf s ALA 15 N 1.77 3.56 -0.31 6.09 0.00 -1.26 -4.95 121.76 126.65 2ctf s ALA 15 Ca -0.03 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.26 2ctf s ALA 15 Cb -0.12 -3.00 0.19 0.00 0.00 0.00 0.00 23.12 20.19 2ctf s ALA 15 CO -0.07 -0.93 2.09 1.28 0.00 0.00 0.00 175.76 178.13 2ctf n LEU 16 N 5.72 6.42 -4.30 0.00 4.32 -1.26 -4.88 117.00 123.01 2ctf n LEU 16 Ca -0.03 -3.32 -0.17 0.00 -0.02 0.00 0.00 56.01 52.47 2ctf n LEU 16 Cb 0.49 -1.08 -0.10 0.00 -1.62 0.00 0.00 43.42 41.11 2ctf n LEU 16 CO 0.43 1.26 -0.43 0.42 -1.22 0.00 0.00 177.39 177.86 2ctf s THR 17 N -2.18 1.50 -0.34 -5.08 -4.23 -1.26 -5.07 115.64 98.99 2ctf s THR 17 Ca 0.32 -2.14 0.07 0.00 -1.18 0.00 0.00 61.69 58.76 2ctf s THR 17 Cb 0.24 -1.95 0.45 0.00 1.34 0.00 0.00 72.50 72.58 2ctf s THR 17 CO -0.02 -0.65 1.16 -1.84 -0.54 0.00 0.00 174.62 172.73 2ctf n GLU 18 N -0.27 3.49 -4.35 3.99 0.28 -1.26 -5.04 120.64 117.47 2ctf n GLU 18 Ca -0.09 -4.27 -0.27 0.00 -0.16 0.00 0.00 57.16 52.37 2ctf n GLU 18 Cb 0.60 -2.24 -0.11 0.00 1.43 0.00 0.00 31.44 31.12 2ctf n GLU 18 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2ctf s VAL 19 N -4.90 2.74 -1.06 3.84 -7.23 -1.26 -5.03 120.40 107.50 2ctf s VAL 19 Ca 0.49 -1.78 0.23 0.00 -1.81 0.00 0.00 61.98 59.12 2ctf s VAL 19 Cb 0.41 -2.31 -0.08 0.00 0.56 0.00 0.00 36.38 34.96 2ctf s VAL 19 CO -0.04 -0.06 1.21 0.00 -0.31 0.00 0.00 175.10 175.90 2ctf n TYR 20 N 0.33 0.00 -2.77 2.82 0.18 -1.26 -4.93 117.16 111.53 2ctf n TYR 20 Ca -0.13 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.50 2ctf n TYR 20 Cb 0.55 -0.14 -0.03 0.00 -0.38 0.00 0.00 39.34 39.34 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 -1.43 -0.78 -2.63 -3.48 0.00 -1.26 -4.85 120.51 106.09 2ctf n ALA 21 Ca 0.05 -0.07 -0.34 0.00 0.00 0.00 0.00 53.44 53.08 2ctf n ALA 21 Cb 0.34 -1.06 -0.10 0.00 0.00 0.00 0.00 19.45 18.63 2ctf n ALA 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2ctf s LYS 22 N -4.46 2.84 0.08 0.00 -2.85 -1.26 -5.11 119.74 108.97 2ctf s LYS 22 Ca 0.29 -0.50 -0.22 0.00 -1.00 0.00 0.00 55.97 54.54 2ctf s LYS 22 Cb -0.17 -2.68 0.06 0.00 -2.06 0.00 0.00 37.83 32.98 2ctf s LYS 22 CO 0.36 0.68 0.54 0.00 0.10 0.00 0.00 175.35 177.02 2ctf s ALA 23 N -0.87 -1.38 -0.31 0.59 0.00 -1.26 -5.07 121.76 113.46 2ctf s ALA 23 Ca 0.13 0.54 0.13 0.00 0.00 0.00 0.00 51.96 52.76 2ctf s ALA 23 Cb -0.11 0.53 0.47 0.00 0.00 0.00 0.00 23.12 24.00 2ctf s ALA 23 CO 0.03 -0.58 1.12 0.09 0.00 0.00 0.00 175.76 176.42 2ctf n ASN 24 N 0.16 3.47 0.01 0.00 5.03 -1.26 -4.51 115.26 118.16 2ctf n ASN 24 Ca -0.18 -3.11 -0.02 0.00 0.87 0.00 0.00 54.58 52.14 2ctf n ASN 24 Cb 0.62 -0.43 -0.01 0.00 -1.02 0.00 0.00 39.78 38.94 2ctf n ASN 24 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 2ctf h SER 25 N 2.48 -0.10 -0.73 6.41 4.64 -1.97 -3.46 113.55 120.82 2ctf h SER 25 Ca 0.15 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.67 2ctf h SER 25 Cb 1.30 0.03 -0.25 0.00 -0.31 0.00 0.00 62.40 63.17 2ctf h SER 25 CO 0.58 0.27 0.31 0.12 -0.87 0.00 0.00 176.83 177.24 2ctf s PHE 26 N -1.88 -0.50 -0.05 4.77 5.36 -1.26 -4.90 117.98 119.52 2ctf s PHE 26 Ca -0.02 0.86 0.02 0.00 -0.96 0.00 0.00 56.93 56.83 2ctf s PHE 26 Cb 0.00 0.30 0.01 0.00 -0.34 0.00 0.00 43.02 42.99 2ctf s PHE 26 CO 0.05 -0.25 -0.09 0.99 -1.46 0.00 0.00 175.22 174.46 2ctf s THR 27 N 2.36 0.86 -0.20 0.12 2.01 -0.58 -4.98 115.64 115.22 2ctf s THR 27 Ca -0.02 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.65 2ctf s THR 27 Cb -0.05 -0.81 0.05 0.00 0.01 0.00 0.00 72.50 71.71 2ctf s THR 27 CO -0.17 0.29 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.29 2ctf s VAL 28 N 0.64 1.47 0.17 3.82 1.01 -1.26 -1.43 120.40 124.82 2ctf s VAL 28 Ca -0.11 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 60.94 2ctf s VAL 28 Cb -0.14 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 2ctf s VAL 28 CO 0.02 0.07 -0.12 -0.55 0.00 0.00 0.00 175.10 174.52 2ctf s SER 29 N 1.45 2.13 0.21 3.32 0.15 -1.14 -4.96 113.70 114.86 2ctf s SER 29 Ca -0.02 -1.02 0.10 0.00 0.70 0.00 0.00 55.95 55.70 2ctf s SER 29 Cb -0.17 -0.06 -0.04 0.00 -1.71 0.00 0.00 66.02 64.03 2ctf s SER 29 CO -0.07 -0.27 -0.12 -0.55 1.20 0.00 0.00 173.24 173.42 2ctf s SER 30 N -3.23 4.05 -0.18 5.45 0.15 -1.26 0.19 113.70 118.86 2ctf s SER 30 Ca 0.19 -0.71 0.01 0.00 0.70 0.00 0.00 55.95 56.15 2ctf s SER 30 Cb 0.01 -0.59 0.02 0.00 -1.71 0.00 0.00 66.02 63.75 2ctf s SER 30 CO 0.03 0.08 -0.20 -0.69 1.20 0.00 0.00 173.24 173.67 2ctf s VAL 31 N -1.90 2.05 -0.43 4.45 1.01 0.72 -4.94 120.40 121.36 2ctf s VAL 31 Ca 0.26 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 61.03 2ctf s VAL 31 Cb -0.08 -1.85 -0.07 0.00 0.00 0.00 0.00 36.38 34.38 2ctf s VAL 31 CO 0.15 0.54 2.36 0.00 0.00 0.00 0.00 175.10 178.15 2ctf n ALA 32 N 4.60 1.07 -2.91 5.51 0.00 -1.26 -1.96 120.51 125.56 2ctf n ALA 32 Ca -0.21 -0.66 -0.11 0.00 0.00 0.00 0.00 53.44 52.46 2ctf n ALA 32 Cb 0.50 -3.05 -0.13 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 10.68 0.03 1.17 0.00 0.00 -1.24 -4.98 121.76 127.42 2ctf s ALA 33 Ca 1.02 -0.17 -0.18 0.00 0.00 0.00 0.00 51.96 52.63 2ctf s ALA 33 Cb -0.31 0.04 0.27 0.00 0.00 0.00 0.00 23.12 23.12 2ctf s ALA 33 CO 0.31 -0.05 1.10 -1.25 0.00 0.00 0.00 175.76 175.88 2ctf s PRO 34 N -0.44 -0.97 0.00 0.00 0.04 -1.26 -3.14 135.00 129.23 2ctf s PRO 34 Ca -0.05 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.03 2ctf s PRO 34 Cb -0.03 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.89 2ctf s PRO 34 CO -0.00 -3.56 0.00 0.45 0.04 0.00 0.00 177.00 173.92 2ctf n SER 35 N -4.67 4.97 0.32 6.66 2.88 -1.26 -4.59 113.62 117.93 2ctf n SER 35 Ca 0.12 0.00 0.22 0.00 -1.33 0.00 0.00 58.87 57.87 2ctf n SER 35 Cb 0.59 0.87 1.12 0.00 -0.75 0.00 0.00 64.21 66.05 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 -0.24 0.66 5.08 -1.97 -0.25 115.95 119.23 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 0.24 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.40 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 -3.05 3.60 0.31 0.11 -0.00 -1.26 -4.59 117.00 112.12 2ctf n LEU 37 Ca -0.02 -2.89 0.20 0.00 -0.00 0.00 0.00 56.01 53.30 2ctf n LEU 37 Cb 0.11 -0.49 1.00 0.00 -0.00 0.00 0.00 43.42 44.04 2ctf n LEU 37 CO 0.21 0.68 1.10 0.45 -0.00 0.00 0.00 177.39 179.83 2ctf h HIS 38 N 1.64 0.00 0.06 1.47 3.86 -1.28 0.33 115.15 121.22 2ctf h HIS 38 Ca 0.00 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.95 2ctf h HIS 38 Cb 1.30 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.78 2ctf h HIS 38 CO 0.41 0.00 -1.09 -0.09 0.86 0.00 0.00 177.93 178.02 2ctf h ARG 39 N 0.00 0.43 0.09 2.45 9.65 -1.81 -2.92 114.38 122.27 2ctf h ARG 39 Ca 0.00 -0.54 -0.29 0.00 -1.10 0.00 0.00 59.98 58.05 2ctf h ARG 39 Cb 0.18 0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.92 2ctf h ARG 39 CO 0.00 1.20 -1.51 0.74 2.80 0.00 0.00 179.97 183.20 2ctf h PHE 40 N 0.20 0.34 -0.64 2.20 0.04 -1.72 -2.61 116.94 114.76 2ctf h PHE 40 Ca -0.12 -0.25 -0.05 0.00 2.80 0.00 0.00 57.97 60.36 2ctf h PHE 40 Cb 1.75 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 39.86 2ctf h PHE 40 CO 0.07 1.30 0.20 0.97 -0.60 0.00 0.00 178.31 180.25 2ctf h ILE 41 N 0.05 1.24 0.07 -0.55 2.10 -1.06 -3.17 117.51 116.19 2ctf h ILE 41 Ca -0.23 -0.82 -0.10 0.00 1.08 0.00 0.00 64.86 64.80 2ctf h ILE 41 Cb 1.99 0.53 0.01 0.00 -1.09 0.00 0.00 36.82 38.26 2ctf h ILE 41 CO 0.14 0.32 -0.44 0.40 -1.08 0.00 0.00 178.15 177.49 2ctf h ILE 42 N 0.94 1.63 0.00 2.19 2.04 -1.63 -3.41 117.51 119.27 2ctf h ILE 42 Ca 0.21 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 63.64 2ctf h ILE 42 Cb 0.27 3.26 0.00 0.00 -0.74 0.00 0.00 36.82 39.61 2ctf h ILE 42 CO -0.01 0.65 0.00 0.61 0.00 0.00 0.00 178.15 179.40 2ctf n GLY 43 N 1.64 -0.19 3.70 5.37 0.00 -0.98 -2.65 105.19 112.08 2ctf n GLY 43 Ca -0.13 -1.90 -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 0.54 0.00 0.00 0.00 173.32 173.86 2ctf s LYS 44 N -1.07 4.34 -1.64 1.61 3.01 -1.26 -3.30 119.74 121.44 2ctf s LYS 44 Ca 0.00 1.84 -0.15 0.00 -1.01 0.00 0.00 55.97 56.65 2ctf s LYS 44 Cb 0.00 -3.48 0.12 0.00 -1.01 0.00 0.00 37.83 33.46 2ctf s LYS 44 CO 0.00 -0.44 0.76 1.63 0.51 0.00 0.00 175.35 177.81 2ctf n LYS 45 N 4.82 -3.52 -3.00 1.68 4.76 -1.26 -3.26 118.16 118.39 2ctf n LYS 45 Ca 0.11 0.41 -0.07 0.00 -2.87 0.00 0.00 58.31 55.89 2ctf n LYS 45 Cb 0.45 -5.06 0.01 0.00 -1.84 0.00 0.00 35.03 28.58 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 -1.53 -1.82 0.72 0.72 0.00 -1.21 -5.00 105.19 97.06 2ctf n GLY 46 Ca 0.01 0.58 -0.06 0.00 0.00 0.00 0.00 46.02 46.55 2ctf n GLY 46 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ctf n GLN 47 N 0.56 0.19 -0.26 1.61 -0.06 -1.08 -4.24 117.38 114.10 2ctf n GLN 47 Ca 0.01 0.08 -0.01 0.00 -2.00 0.00 0.00 57.00 55.08 2ctf n GLN 47 Cb 0.34 -0.83 0.11 0.00 -4.06 0.00 0.00 30.24 25.80 2ctf n GLN 47 CO 0.00 0.00 0.00 -0.91 -0.20 0.00 0.00 177.06 175.95 2ctf h ASN 48 N -0.34 0.65 0.02 1.69 2.35 -1.80 -2.41 115.58 115.75 2ctf h ASN 48 Ca -0.10 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2ctf h ASN 48 Cb 0.72 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.98 2ctf h ASN 48 CO -0.06 0.42 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.06 2ctf h LEU 49 N 0.79 -0.02 -0.82 1.61 3.38 -1.79 -3.01 115.31 115.45 2ctf h LEU 49 Ca 0.32 -0.32 0.20 0.00 0.09 0.00 0.00 57.88 58.17 2ctf h LEU 49 Cb 0.17 0.01 -0.14 0.00 0.09 0.00 0.00 40.66 40.79 2ctf h LEU 49 CO -0.17 0.30 0.08 0.00 0.09 0.00 0.00 178.44 178.74 2ctf h ALA 50 N 0.61 0.97 0.60 1.53 0.00 -1.66 0.80 119.26 122.11 2ctf h ALA 50 Ca -0.00 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2ctf h ALA 50 Cb 0.34 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2ctf h ALA 50 CO 0.00 -0.44 -0.38 -0.22 0.00 0.00 0.00 179.25 178.21 2ctf h LYS 51 N 0.13 -0.89 -0.08 0.00 1.63 -1.39 0.28 116.57 116.26 2ctf h LYS 51 Ca 0.47 0.06 0.03 0.00 -0.85 0.00 0.00 60.65 60.37 2ctf h LYS 51 Cb 0.88 0.20 -0.06 0.00 -0.60 0.00 0.00 32.23 32.65 2ctf h LYS 51 CO -0.68 -0.59 -0.48 0.82 -3.45 0.00 0.00 179.45 175.07 2ctf h ILE 52 N -0.93 0.08 -0.98 2.00 2.04 -1.21 0.21 117.51 118.72 2ctf h ILE 52 Ca -0.08 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.92 2ctf h ILE 52 Cb 0.75 0.08 -0.09 0.00 -0.74 0.00 0.00 36.82 36.82 2ctf h ILE 52 CO 0.07 0.00 0.62 0.71 0.00 0.00 0.00 178.15 179.55 2ctf h THR 53 N -0.57 0.86 -0.73 -0.27 1.35 -0.86 0.34 112.91 113.02 2ctf h THR 53 Ca 0.05 -0.30 -0.03 0.00 -0.55 0.00 0.00 66.41 65.58 2ctf h THR 53 Cb 0.67 -0.09 -0.03 0.00 -1.73 0.00 0.00 68.15 66.96 2ctf h THR 53 CO -0.38 0.16 0.34 -0.61 -0.25 0.00 0.00 175.52 174.77 2ctf h GLN 54 N 0.88 1.06 0.00 4.72 5.75 0.94 -1.71 115.11 126.74 2ctf h GLN 54 Ca 0.50 -0.16 -0.17 0.00 -0.15 0.00 0.00 58.65 58.66 2ctf h GLN 54 Cb 0.63 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 2ctf h GLN 54 CO -0.27 0.84 -0.83 0.37 -2.65 0.00 0.00 178.83 176.29 2ctf h GLN 55 N 1.03 0.00 -2.74 1.69 5.75 0.49 -3.38 115.11 117.95 2ctf h GLN 55 Ca 0.25 0.00 -0.61 0.00 -0.15 0.00 0.00 58.65 58.14 2ctf h GLN 55 Cb 0.14 0.00 -0.40 0.00 1.07 0.00 0.00 27.48 28.29 2ctf h GLN 55 CO -0.03 0.83 -0.78 -1.64 -2.65 0.00 0.00 178.83 174.56 2ctf s MET 56 N -3.07 1.64 0.31 1.69 -1.94 0.11 -4.94 119.30 113.10 2ctf s MET 56 Ca 0.00 -2.67 0.10 0.00 -1.71 0.00 0.00 55.69 51.42 2ctf s MET 56 Cb 0.11 -2.40 0.51 0.00 2.01 0.00 0.00 34.83 35.06 2ctf s MET 56 CO 0.79 -1.33 1.71 -1.00 -0.01 0.00 0.00 175.02 175.19 2ctf h PRO 57 N 5.60 0.06 -0.85 2.03 0.13 -1.52 -3.10 132.00 134.35 2ctf h PRO 57 Ca 0.19 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 65.30 2ctf h PRO 57 Cb 0.84 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.93 2ctf h PRO 57 CO 0.54 0.53 0.55 0.87 -0.23 0.00 0.00 178.00 180.26 2ctf h LYS 58 N 0.05 1.12 -6.90 0.86 1.57 -1.92 -3.42 116.57 107.93 2ctf h LYS 58 Ca -0.00 -0.07 -0.48 0.00 -1.87 0.00 0.00 60.65 58.22 2ctf h LYS 58 Cb 0.87 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2ctf h LYS 58 CO 0.07 0.75 0.39 0.08 -0.57 0.00 0.00 179.45 180.17 2ctf s VAL 59 N -6.10 3.90 -0.29 0.50 1.01 -1.17 -4.42 120.40 113.84 2ctf s VAL 59 Ca -0.13 1.59 0.01 0.00 0.00 0.00 0.00 61.98 63.45 2ctf s VAL 59 Cb 0.16 -3.88 0.06 0.00 0.00 0.00 0.00 36.38 32.72 2ctf s VAL 59 CO 0.80 0.14 -0.05 -2.28 0.00 0.00 0.00 175.10 173.70 2ctf s HIS 60 N -1.55 3.31 -0.14 5.22 2.46 0.06 -4.90 115.29 119.76 2ctf s HIS 60 Ca 0.52 -2.20 -0.19 0.00 0.47 0.00 0.00 55.06 53.66 2ctf s HIS 60 Cb -0.22 -2.10 -0.04 0.00 -0.13 0.00 0.00 32.58 30.09 2ctf s HIS 60 CO 0.28 -0.86 0.54 0.42 -2.47 0.00 0.00 174.74 172.66 2ctf s ILE 61 N 1.15 5.13 0.13 0.89 1.01 -1.26 -2.61 121.20 125.63 2ctf s ILE 61 Ca -0.06 1.07 0.08 0.00 0.00 0.00 0.00 60.65 61.74 2ctf s ILE 61 Cb -0.20 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 2ctf s ILE 61 CO -0.04 0.25 -0.20 -0.70 0.00 0.00 0.00 174.94 174.26 2ctf s GLU 62 N 1.04 1.19 -0.22 2.79 2.56 -0.79 -5.00 118.70 120.27 2ctf s GLU 62 Ca 0.28 -1.27 0.00 0.00 0.00 0.00 0.00 54.97 53.98 2ctf s GLU 62 Cb -0.16 -1.37 0.06 0.00 2.00 0.00 0.00 34.13 34.66 2ctf s GLU 62 CO 0.11 0.30 -0.05 -0.06 -0.56 0.00 0.00 175.26 175.01 2ctf s PHE 63 N -1.53 2.24 0.58 5.30 0.08 -1.26 -3.15 117.98 120.24 2ctf s PHE 63 Ca 0.10 -1.62 -0.10 0.00 0.12 0.00 0.00 56.93 55.44 2ctf s PHE 63 Cb -0.08 -1.52 0.13 0.00 -0.57 0.00 0.00 43.02 40.98 2ctf s PHE 63 CO 0.05 -0.75 0.79 -2.37 -0.10 0.00 0.00 175.22 172.85 2ctf n THR 64 N 4.72 0.00 -0.02 0.64 5.66 -1.22 -5.07 114.28 118.99 2ctf n THR 64 Ca -0.12 -0.58 -0.04 0.00 -3.05 0.00 0.00 64.05 60.26 2ctf n THR 64 Cb 0.45 -1.71 -0.01 0.00 -1.55 0.00 0.00 70.33 67.51 2ctf n THR 64 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2ctf n GLU 65 N -2.68 0.22 -0.04 1.09 -0.58 -1.26 -4.76 120.64 112.63 2ctf n GLU 65 Ca 0.10 0.09 -0.22 0.00 -0.42 0.00 0.00 57.16 56.71 2ctf n GLU 65 Cb 0.34 -0.83 -0.13 0.00 -0.57 0.00 0.00 31.44 30.25 2ctf n GLU 65 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ctf n GLY 66 N 2.43 -0.59 0.35 0.62 0.00 -1.26 -4.09 105.19 102.66 2ctf n GLY 66 Ca -0.06 -0.18 0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.22 0.00 -6.71 1.61 4.39 -2.00 -3.44 114.58 108.21 2ctf h GLU 67 Ca -0.44 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 58.71 2ctf h GLU 67 Cb 1.84 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.44 2ctf h GLU 67 CO -0.02 0.00 -0.96 -0.25 -1.16 0.00 0.00 179.01 176.62 2ctf n ASP 68 N -2.78 -2.17 -3.83 1.42 9.92 -1.26 -4.94 116.55 112.90 2ctf n ASP 68 Ca 0.01 -1.16 -0.09 0.00 -0.53 0.00 0.00 54.79 53.02 2ctf n ASP 68 Cb 0.72 -2.38 -0.03 0.00 -0.64 0.00 0.00 41.12 38.79 2ctf n ASP 68 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2ctf s LYS 69 N -6.89 1.58 -0.21 -1.24 -2.85 -1.19 -3.73 119.74 105.22 2ctf s LYS 69 Ca 0.25 -0.99 -0.02 0.00 -1.00 0.00 0.00 55.97 54.21 2ctf s LYS 69 Cb -0.12 0.55 0.01 0.00 -2.06 0.00 0.00 37.83 36.21 2ctf s LYS 69 CO 0.93 -0.69 -0.11 0.42 0.10 0.00 0.00 175.35 176.01 2ctf s ILE 70 N -3.92 2.81 -0.18 3.79 1.01 -0.83 -3.37 121.20 120.51 2ctf s ILE 70 Ca 0.13 -0.72 -0.19 0.00 0.00 0.00 0.00 60.65 59.86 2ctf s ILE 70 Cb -0.03 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 2ctf s ILE 70 CO 0.03 0.45 0.55 -0.89 0.00 0.00 0.00 174.94 175.08 2ctf s THR 71 N 1.39 5.09 0.18 2.92 2.01 -1.19 -0.20 115.64 125.84 2ctf s THR 71 Ca 0.05 1.03 0.06 0.00 0.31 0.00 0.00 61.69 63.15 2ctf s THR 71 Cb -0.14 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2ctf s THR 71 CO -0.07 0.19 0.06 -0.76 -0.69 0.00 0.00 174.62 173.34 2ctf s LEU 72 N 1.51 3.51 -0.14 4.42 2.01 0.13 -1.88 118.68 128.25 2ctf s LEU 72 Ca 0.26 -0.30 -0.05 0.00 0.01 0.00 0.00 54.13 54.05 2ctf s LEU 72 Cb -0.16 -2.14 0.07 0.00 0.01 0.00 0.00 46.19 43.97 2ctf s LEU 72 CO 0.10 0.07 0.29 -0.70 1.01 0.00 0.00 176.35 177.12 2ctf s GLU 73 N -3.06 0.19 0.00 1.70 2.12 -1.07 -2.88 118.70 115.69 2ctf s GLU 73 Ca 0.29 0.76 0.00 0.00 0.36 0.00 0.00 54.97 56.38 2ctf s GLU 73 Cb -0.09 0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.30 2ctf s GLU 73 CO 0.21 -0.26 0.00 0.41 -0.54 0.00 0.00 175.26 175.08 2ctf n GLY 74 N 5.18 -1.30 3.72 -1.50 0.00 -0.52 -0.76 105.19 110.02 2ctf n GLY 74 Ca -0.09 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.98 4.36 0.38 1.61 0.04 -1.26 -1.53 135.00 136.62 2ctf s PRO 75 Ca 0.00 2.04 0.22 0.00 0.04 0.00 0.00 61.00 63.30 2ctf s PRO 75 Cb 0.00 -3.24 1.33 0.00 0.04 0.00 0.00 34.50 32.63 2ctf s PRO 75 CO 0.00 -0.35 1.60 0.00 0.04 0.00 0.00 177.00 178.29 2ctf h THR 76 N 4.11 0.08 0.12 1.26 1.03 -1.86 0.35 112.91 117.99 2ctf h THR 76 Ca -0.43 -0.03 0.02 0.00 -0.01 0.00 0.00 66.41 65.96 2ctf h THR 76 Cb 1.21 -0.01 -0.04 0.00 -1.07 0.00 0.00 68.15 68.25 2ctf h THR 76 CO 0.83 0.01 -0.32 -0.08 -0.01 0.00 0.00 175.52 175.96 2ctf h GLU 77 N 0.08 -0.52 -0.01 0.00 4.57 -1.90 0.38 114.58 117.18 2ctf h GLU 77 Ca 0.83 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 59.03 2ctf h GLU 77 Cb 2.25 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 30.96 2ctf h GLU 77 CO -0.66 -0.35 -0.04 0.22 -1.18 0.00 0.00 179.01 177.01 2ctf h ASP 78 N -0.54 0.05 -0.93 1.04 1.82 -0.89 -3.25 116.42 113.73 2ctf h ASP 78 Ca 0.03 -0.65 0.25 0.00 -0.39 0.00 0.00 57.03 56.27 2ctf h ASP 78 Cb 0.57 -0.02 -0.13 0.00 0.68 0.00 0.00 39.33 40.43 2ctf h ASP 78 CO -0.19 0.70 0.43 0.58 -1.61 0.00 0.00 179.24 179.15 2ctf h VAL 79 N -0.58 0.41 -0.70 2.25 2.07 -0.46 0.58 116.25 119.82 2ctf h VAL 79 Ca -0.00 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.40 2ctf h VAL 79 Cb 0.69 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 2ctf h VAL 79 CO 0.01 0.07 0.46 -1.28 0.02 0.00 0.00 177.57 176.85 2ctf h SER 80 N 0.37 0.79 0.05 0.57 0.87 -0.95 0.29 113.55 115.54 2ctf h SER 80 Ca 0.61 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 61.15 2ctf h SER 80 Cb 1.23 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 2ctf h SER 80 CO -0.57 0.57 -0.02 0.58 -0.53 0.00 0.00 176.83 176.86 2ctf h VAL 81 N 0.93 0.85 -0.28 2.23 2.07 -0.03 -2.61 116.25 119.41 2ctf h VAL 81 Ca 0.26 -1.50 0.04 0.00 0.82 0.00 0.00 66.70 66.32 2ctf h VAL 81 Cb -0.08 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 2ctf h VAL 81 CO -0.06 0.27 0.02 0.00 0.02 0.00 0.00 177.57 177.82 2ctf h ALA 82 N -0.48 0.26 -0.86 1.67 0.00 -0.67 0.16 119.26 119.34 2ctf h ALA 82 Ca -0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2ctf h ALA 82 Cb 0.50 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2ctf h ALA 82 CO 0.01 -0.40 0.50 -0.56 0.00 0.00 0.00 179.25 178.80 2ctf h GLN 83 N 0.11 1.17 -0.45 0.00 3.07 -0.56 -2.37 115.11 116.09 2ctf h GLN 83 Ca 0.13 -0.12 -0.11 0.00 0.09 0.00 0.00 58.65 58.64 2ctf h GLN 83 Cb 0.16 -0.24 -0.01 0.00 0.08 0.00 0.00 27.48 27.47 2ctf h GLN 83 CO -0.20 0.84 -0.15 1.49 0.09 0.00 0.00 178.83 180.89 2ctf h GLU 84 N 1.19 0.90 -0.81 0.06 4.57 -0.96 -2.11 114.58 117.41 2ctf h GLU 84 Ca 0.31 -0.37 0.03 0.00 -1.18 0.00 0.00 59.36 58.15 2ctf h GLU 84 Cb -0.02 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.49 2ctf h GLU 84 CO -0.05 1.02 0.53 1.96 -1.18 0.00 0.00 179.01 181.29 2ctf h GLN 85 N 0.73 0.98 0.00 1.92 4.20 -0.30 -1.43 115.11 121.21 2ctf h GLN 85 Ca 0.11 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.61 2ctf h GLN 85 Cb 0.71 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 2ctf h GLN 85 CO 0.05 0.65 -0.70 0.82 -0.67 0.00 0.00 178.83 178.99 2ctf h ILE 86 N 1.01 1.42 0.00 2.54 2.04 -1.28 -2.90 117.51 120.35 2ctf h ILE 86 Ca 0.32 -2.45 -0.02 0.00 1.00 0.00 0.00 64.86 63.71 2ctf h ILE 86 Cb 0.02 2.35 -0.00 0.00 -0.74 0.00 0.00 36.82 38.44 2ctf h ILE 86 CO -0.09 0.68 -0.12 -0.33 0.00 0.00 0.00 178.15 178.29 2ctf h GLU 87 N 0.00 0.00 0.04 2.37 5.08 -0.57 -1.99 114.58 119.51 2ctf h GLU 87 Ca -0.01 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.17 2ctf h GLU 87 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2ctf h GLU 87 CO 0.09 0.12 -0.97 0.78 -1.00 0.00 0.00 179.01 178.03 2ctf h GLY 88 N 1.95 0.09 1.48 -3.84 0.00 -1.30 -3.07 103.07 98.38 2ctf h GLY 88 Ca -0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 2ctf h GLY 88 CO 0.02 0.21 -0.02 0.00 0.00 0.00 0.00 176.54 176.75 2ctf h MET 89 N -0.77 0.64 -0.22 4.80 -0.00 -1.53 -0.75 114.93 117.10 2ctf h MET 89 Ca -0.24 -0.16 -0.07 0.00 -0.00 0.00 0.00 59.70 59.23 2ctf h MET 89 Cb 1.38 -0.08 -0.00 0.00 -0.00 0.00 0.00 31.60 32.89 2ctf h MET 89 CO -0.06 0.67 -0.15 0.28 -0.00 0.00 0.00 176.91 177.65 2ctf h VAL 90 N 0.60 1.31 -0.50 -0.10 2.07 -1.52 -1.63 116.25 116.49 2ctf h VAL 90 Ca 0.12 -1.26 -0.07 0.00 0.82 0.00 0.00 66.70 66.31 2ctf h VAL 90 Cb 0.41 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 2ctf h VAL 90 CO 0.02 0.39 0.05 0.50 0.02 0.00 0.00 177.57 178.55 2ctf h LYS 91 N 0.19 0.84 -0.09 1.57 1.63 -1.42 -0.49 116.57 118.81 2ctf h LYS 91 Ca 0.04 -0.24 -0.06 0.00 -0.85 0.00 0.00 60.65 59.54 2ctf h LYS 91 Cb 0.67 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 2ctf h LYS 91 CO 0.04 0.86 -0.24 0.22 -3.45 0.00 0.00 179.45 176.88 2ctf h ASP 92 N 0.71 0.14 -0.00 4.20 3.58 -1.14 -1.38 116.42 122.53 2ctf h ASP 92 Ca 0.15 -0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.50 2ctf h ASP 92 Cb 0.44 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.46 2ctf h ASP 92 CO 0.02 0.39 -0.24 -0.07 -2.88 0.00 0.00 179.24 176.45 2ctf h LEU 93 N 0.14 0.22 -1.38 2.28 3.38 -0.99 -2.53 115.31 116.44 2ctf h LEU 93 Ca 0.02 -0.77 -0.02 0.00 0.09 0.00 0.00 57.88 57.20 2ctf h LEU 93 Cb 0.50 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2ctf h LEU 93 CO 0.03 0.96 0.17 0.40 0.09 0.00 0.00 178.44 180.10 2ctf h ILE 94 N -0.50 1.16 0.00 1.22 2.04 -1.00 -1.73 117.51 118.71 2ctf h ILE 94 Ca -0.03 -0.49 -0.09 0.00 1.00 0.00 0.00 64.86 65.25 2ctf h ILE 94 Cb 0.99 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 2ctf h ILE 94 CO 0.05 0.19 -0.44 0.78 0.00 0.00 0.00 178.15 178.73 2ctf h ASN 95 N 0.60 0.00 -3.03 1.72 4.21 -1.31 -3.35 115.58 114.43 2ctf h ASN 95 Ca 0.15 0.00 -0.76 0.00 1.21 0.00 0.00 56.30 56.89 2ctf h ASN 95 Cb 0.11 0.00 -0.31 0.00 -1.12 0.00 0.00 38.32 37.00 2ctf h ASN 95 CO -0.02 0.44 0.40 0.54 -1.29 0.00 0.00 177.43 177.50 2ctf n ARG 96 N -3.44 3.73 -4.22 0.81 5.12 -0.65 -5.02 116.66 113.00 2ctf n ARG 96 Ca 0.00 -4.54 -0.24 0.00 -1.93 0.00 0.00 57.85 51.14 2ctf n ARG 96 Cb 0.59 -2.47 -0.08 0.00 -1.16 0.00 0.00 32.46 29.35 2ctf n ARG 96 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2ctf s SER 97 N -0.94 4.38 0.04 0.55 0.15 -1.25 -4.87 113.70 111.76 2ctf s SER 97 Ca 0.32 -0.98 0.03 0.00 0.70 0.00 0.00 55.95 56.02 2ctf s SER 97 Cb 0.01 -0.56 -0.02 0.00 -1.71 0.00 0.00 66.02 63.74 2ctf s SER 97 CO 0.01 -0.36 -0.09 -0.83 1.20 0.00 0.00 173.24 173.18 2ctf s GLY 98 N -3.81 0.54 -0.06 9.45 0.00 -1.26 -5.12 107.32 107.06 2ctf s GLY 98 Ca 0.38 -0.74 -0.30 0.00 0.00 0.00 0.00 44.72 44.06 2ctf s GLY 98 CO 0.21 -0.78 1.50 2.56 0.00 0.00 0.00 173.10 176.59 2ctf s PRO 99 N -1.42 4.22 0.97 2.90 0.04 -1.26 -4.97 135.00 135.49 2ctf s PRO 99 Ca -0.07 2.01 -0.16 0.00 0.04 0.00 0.00 61.00 62.82 2ctf s PRO 99 Cb -0.09 -3.80 -0.12 0.00 0.04 0.00 0.00 34.50 30.53 2ctf s PRO 99 CO 0.01 -0.74 -0.56 -1.13 0.04 0.00 0.00 177.00 174.62 2ctf n SER 100 N 6.46 -5.23 -3.65 6.66 3.41 -1.26 -5.01 113.62 114.99 2ctf n SER 100 Ca 0.15 0.22 -0.15 0.00 -0.26 0.00 0.00 58.87 58.84 2ctf n SER 100 Cb 0.43 -0.85 -0.08 0.00 -0.26 0.00 0.00 64.21 63.46 2ctf n SER 100 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2ctf s SER 101 N -1.19 -0.47 0.00 4.04 1.04 -1.26 -5.35 113.70 110.51 2ctf s SER 101 Ca 0.44 0.63 0.00 0.00 0.48 0.00 0.00 55.95 57.50 2ctf s SER 101 Cb -0.20 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2ctf s SER 101 CO 0.79 -0.42 0.06 0.61 0.98 0.00 0.00 173.24 175.27