#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 1.07 -4.38 1.61 3.41 -1.26 -5.08 113.62 109.00 2ctf n SER 2 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 2ctf n SER 2 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 2ctf n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2ctf s SER 3 N -4.67 3.27 0.19 4.04 1.04 -1.26 -5.14 113.70 111.18 2ctf s SER 3 Ca 0.00 -0.71 -0.04 0.00 0.48 0.00 0.00 55.95 55.68 2ctf s SER 3 Cb 0.00 -0.24 -0.05 0.00 0.10 0.00 0.00 66.02 65.83 2ctf s SER 3 CO 0.00 0.20 0.43 -0.83 0.98 0.00 0.00 173.24 174.01 2ctf s GLY 4 N -1.86 2.03 0.34 7.32 0.00 -1.26 -5.07 107.32 108.82 2ctf s GLY 4 Ca 0.13 -0.63 -0.27 0.00 0.00 0.00 0.00 44.72 43.96 2ctf s GLY 4 CO 0.05 -0.55 1.10 -0.45 0.00 0.00 0.00 173.10 173.25 2ctf s SER 5 N -2.80 6.96 0.16 1.64 0.15 -1.26 -5.05 113.70 113.49 2ctf s SER 5 Ca 0.41 2.23 0.10 0.00 0.70 0.00 0.00 55.95 59.39 2ctf s SER 5 Cb -0.11 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.54 2ctf s SER 5 CO 0.27 -0.36 -0.22 -0.55 1.20 0.00 0.00 173.24 173.58 2ctf s SER 6 N -1.12 2.98 0.04 5.45 0.15 -1.26 -5.15 113.70 114.79 2ctf s SER 6 Ca 0.51 -0.82 -0.17 0.00 0.70 0.00 0.00 55.95 56.17 2ctf s SER 6 Cb -0.29 -0.19 0.03 0.00 -1.71 0.00 0.00 66.02 63.86 2ctf s SER 6 CO 0.37 0.06 0.39 -0.83 1.20 0.00 0.00 173.24 174.43 2ctf s GLY 7 N -2.46 -0.24 0.18 9.45 0.00 -1.26 -5.16 107.32 107.83 2ctf s GLY 7 Ca 0.15 0.27 -0.17 0.00 0.00 0.00 0.00 44.72 44.97 2ctf s GLY 7 CO 0.07 0.02 0.64 -0.54 0.00 0.00 0.00 173.10 173.29 2ctf s GLU 8 N -2.40 4.14 1.23 2.90 2.02 -1.26 -5.08 118.70 120.25 2ctf s GLU 8 Ca -0.06 0.70 -0.20 0.00 0.02 0.00 0.00 54.97 55.43 2ctf s GLU 8 Cb -0.01 -2.93 0.30 0.00 0.10 0.00 0.00 34.13 31.59 2ctf s GLU 8 CO -0.02 0.45 1.11 -1.25 0.02 0.00 0.00 175.26 175.57 2ctf s PRO 9 N -1.90 -1.46 -0.15 0.39 0.04 -1.26 -5.10 135.00 125.57 2ctf s PRO 9 Ca 0.40 -0.15 -0.29 0.00 0.04 0.00 0.00 61.00 61.00 2ctf s PRO 9 Cb -0.16 -1.58 0.10 0.00 0.04 0.00 0.00 34.50 32.90 2ctf s PRO 9 CO 0.20 -3.85 0.84 -2.00 0.04 0.00 0.00 177.00 172.23 2ctf s GLU 10 N -5.47 0.79 -0.61 4.56 2.56 -1.26 -5.12 118.70 114.15 2ctf s GLU 10 Ca 0.72 0.36 -0.10 0.00 0.00 0.00 0.00 54.97 55.95 2ctf s GLU 10 Cb -0.08 0.38 0.16 0.00 2.00 0.00 0.00 34.13 36.58 2ctf s GLU 10 CO 0.56 -0.21 0.51 0.15 -0.56 0.00 0.00 175.26 175.70 2ctf s LYS 11 N -0.76 2.89 0.52 4.30 -0.14 -1.26 -4.91 119.74 120.38 2ctf s LYS 11 Ca -0.04 -2.11 0.23 0.00 -1.36 0.00 0.00 55.97 52.68 2ctf s LYS 11 Cb -0.01 -4.08 1.43 0.00 -1.68 0.00 0.00 37.83 33.48 2ctf s LYS 11 CO 0.04 -1.24 2.12 1.37 -0.76 0.00 0.00 175.35 176.88 2ctf h LEU 12 N 8.03 0.00 0.00 3.17 -0.00 -2.06 -3.45 115.31 121.00 2ctf h LEU 12 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 2ctf h LEU 12 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 2ctf h LEU 12 CO 0.83 0.08 0.00 0.61 -0.00 0.00 0.00 178.44 179.96 2ctf n GLY 13 N -1.10 0.38 3.77 0.17 0.00 -1.26 -5.16 105.19 102.00 2ctf n GLY 13 Ca -0.03 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 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 2.52 0.03 1.61 -0.21 -1.26 -5.14 119.66 117.21 2ctf s GLN 14 Ca 0.00 -1.42 0.07 0.00 0.02 0.00 0.00 55.36 54.03 2ctf s GLN 14 Cb 0.00 -2.30 -0.02 0.00 1.00 0.00 0.00 33.01 31.68 2ctf s GLN 14 CO 0.00 0.14 -0.22 0.00 -2.12 0.00 0.00 175.29 173.09 2ctf s ALA 15 N -2.36 1.85 0.47 6.09 0.00 -1.26 -5.11 121.76 121.43 2ctf s ALA 15 Ca 0.38 -1.06 -0.22 0.00 0.00 0.00 0.00 51.96 51.05 2ctf s ALA 15 Cb -0.04 -0.39 -0.10 0.00 0.00 0.00 0.00 23.12 22.59 2ctf s ALA 15 CO 0.24 0.43 0.88 1.47 0.00 0.00 0.00 175.76 178.77 2ctf n LEU 16 N 2.00 2.18 -4.74 0.00 -0.00 -1.26 -5.00 117.00 110.18 2ctf n LEU 16 Ca -0.17 0.95 -0.22 0.00 -0.00 0.00 0.00 56.01 56.56 2ctf n LEU 16 Cb 0.53 -1.30 -0.06 0.00 -0.00 0.00 0.00 43.42 42.59 2ctf n LEU 16 CO 0.23 -1.93 -0.24 0.42 -0.00 0.00 0.00 177.39 175.87 2ctf s THR 17 N -1.39 3.83 -0.25 1.47 -4.23 -1.26 -5.04 115.64 108.77 2ctf s THR 17 Ca 0.66 -1.65 0.12 0.00 -1.18 0.00 0.00 61.69 59.63 2ctf s THR 17 Cb -0.53 -3.11 0.50 0.00 1.34 0.00 0.00 72.50 70.71 2ctf s THR 17 CO 0.55 -0.34 1.44 -1.84 -0.54 0.00 0.00 174.62 173.90 2ctf n GLU 18 N -1.06 2.13 -0.75 3.99 0.00 -1.26 -5.05 120.64 118.64 2ctf n GLU 18 Ca -0.06 -3.05 -0.31 0.00 0.00 0.00 0.00 57.16 53.74 2ctf n GLU 18 Cb 0.59 -1.81 0.12 0.00 0.00 0.00 0.00 31.44 30.33 2ctf n GLU 18 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 2ctf n VAL 19 N -0.96 0.00 -3.92 3.84 0.24 -1.26 -4.95 118.33 111.32 2ctf n VAL 19 Ca 0.29 -0.15 -0.32 0.00 -2.04 0.00 0.00 64.34 62.12 2ctf n VAL 19 Cb 0.98 -0.38 -0.13 0.00 -1.47 0.00 0.00 33.84 32.84 2ctf n VAL 19 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 2ctf s TYR 20 N -2.12 3.50 -0.42 6.34 1.13 -1.26 -4.95 117.35 119.57 2ctf s TYR 20 Ca 0.44 -2.93 0.05 0.00 -1.41 0.00 0.00 57.07 53.22 2ctf s TYR 20 Cb -0.03 -2.98 0.44 0.00 -1.10 0.00 0.00 41.96 38.29 2ctf s TYR 20 CO 0.58 -0.87 1.28 0.00 -2.51 0.00 0.00 175.55 174.03 2ctf n ALA 21 N 3.83 5.25 -0.23 9.51 0.00 -1.26 -4.81 120.51 132.80 2ctf n ALA 21 Ca 0.04 -4.00 -0.02 0.00 0.00 0.00 0.00 53.44 49.46 2ctf n ALA 21 Cb 0.38 -0.64 0.09 0.00 0.00 0.00 0.00 19.45 19.29 2ctf n ALA 21 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2ctf h LYS 22 N 2.38 0.69 -6.30 0.00 1.79 -2.03 -3.43 116.57 109.67 2ctf h LYS 22 Ca 0.37 -0.04 -0.67 0.00 -2.18 0.00 0.00 60.65 58.14 2ctf h LYS 22 Cb 1.13 -0.15 0.06 0.00 -1.58 0.00 0.00 32.23 31.69 2ctf h LYS 22 CO 0.91 0.45 0.44 0.00 -1.08 0.00 0.00 179.45 180.17 2ctf n ALA 23 N -2.34 -0.76 -3.36 3.86 0.00 -1.26 -4.91 120.51 111.74 2ctf n ALA 23 Ca 0.08 0.50 -0.46 0.00 0.00 0.00 0.00 53.44 53.56 2ctf n ALA 23 Cb 0.16 -2.09 -0.03 0.00 0.00 0.00 0.00 19.45 17.49 2ctf n ALA 23 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2ctf s ASN 24 N 0.42 6.51 -0.37 0.00 3.84 -1.26 -5.02 114.94 119.05 2ctf s ASN 24 Ca 0.82 -2.50 -0.28 0.00 0.21 0.00 0.00 52.86 51.11 2ctf s ASN 24 Cb -0.91 -2.18 -0.02 0.00 -0.55 0.00 0.00 41.25 37.58 2ctf s ASN 24 CO 0.47 -0.62 1.87 -0.94 -2.79 0.00 0.00 177.10 175.10 2ctf s SER 25 N 2.36 5.68 -0.22 -4.21 1.04 -1.26 -4.90 113.70 112.19 2ctf s SER 25 Ca 0.15 1.18 -0.37 0.00 0.48 0.00 0.00 55.95 57.39 2ctf s SER 25 Cb -0.15 -2.52 -0.14 0.00 0.10 0.00 0.00 66.02 63.31 2ctf s SER 25 CO -0.06 -1.90 1.86 0.33 0.98 0.00 0.00 173.24 174.45 2ctf n PHE 26 N 11.10 2.11 -4.28 5.02 7.35 -1.26 -4.58 117.46 132.91 2ctf n PHE 26 Ca 0.24 0.29 -0.34 0.00 -0.76 0.00 0.00 57.45 56.87 2ctf n PHE 26 Cb 0.48 -2.55 -0.13 0.00 0.35 0.00 0.00 39.48 37.63 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 4.28 3.75 -0.23 -2.13 2.01 -0.38 -4.98 115.64 117.96 2ctf s THR 27 Ca 0.98 -0.40 0.01 0.00 0.31 0.00 0.00 61.69 62.59 2ctf s THR 27 Cb -0.89 -2.66 0.06 0.00 0.01 0.00 0.00 72.50 69.01 2ctf s THR 27 CO 0.58 0.47 -0.07 -0.69 -0.69 0.00 0.00 174.62 174.22 2ctf s VAL 28 N 0.70 1.58 0.15 3.82 1.01 -1.26 -1.52 120.40 124.89 2ctf s VAL 28 Ca -0.02 -1.18 0.08 0.00 0.00 0.00 0.00 61.98 60.86 2ctf s VAL 28 Cb -0.14 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2ctf s VAL 28 CO 0.02 -0.03 -0.17 -0.44 0.00 0.00 0.00 175.10 174.48 2ctf s SER 29 N 1.38 2.50 0.19 3.32 0.01 -0.86 -4.96 113.70 115.28 2ctf s SER 29 Ca -0.05 -0.85 0.10 0.00 1.31 0.00 0.00 55.95 56.46 2ctf s SER 29 Cb -0.18 -0.13 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 2ctf s SER 29 CO -0.07 -0.07 -0.18 -0.94 0.41 0.00 0.00 173.24 172.40 2ctf s SER 30 N -2.62 3.77 -0.11 2.44 1.04 -1.26 -0.02 113.70 116.94 2ctf s SER 30 Ca 0.14 -0.76 0.03 0.00 0.48 0.00 0.00 55.95 55.84 2ctf s SER 30 Cb -0.05 -0.44 0.00 0.00 0.10 0.00 0.00 66.02 65.63 2ctf s SER 30 CO 0.06 0.11 -0.22 -0.69 0.98 0.00 0.00 173.24 173.47 2ctf s VAL 31 N -1.74 1.96 -0.46 5.02 1.01 0.10 -4.96 120.40 121.34 2ctf s VAL 31 Ca 0.23 -0.95 -0.27 0.00 0.00 0.00 0.00 61.98 60.99 2ctf s VAL 31 Cb -0.08 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 2ctf s VAL 31 CO 0.12 0.54 1.87 0.00 0.00 0.00 0.00 175.10 177.63 2ctf s ALA 32 N 0.53 2.47 -0.01 5.51 0.00 -1.26 -1.55 121.76 127.44 2ctf s ALA 32 Ca -0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 51.96 51.64 2ctf s ALA 32 Cb -0.17 -4.17 -0.00 0.00 0.00 0.00 0.00 23.12 18.78 2ctf s ALA 32 CO 0.05 -3.32 0.05 0.00 0.00 0.00 0.00 175.76 172.53 2ctf s ALA 33 N 8.27 -0.10 1.08 0.00 0.00 -1.25 -4.98 121.76 124.77 2ctf s ALA 33 Ca 0.76 -0.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.52 2ctf s ALA 33 Cb -0.18 -0.01 0.23 0.00 0.00 0.00 0.00 23.12 23.16 2ctf s ALA 33 CO 0.27 -0.08 1.10 -1.25 0.00 0.00 0.00 175.76 175.80 2ctf s PRO 34 N -0.50 -0.21 -0.01 0.00 0.04 -1.26 -3.48 135.00 129.57 2ctf s PRO 34 Ca -0.06 0.29 0.04 0.00 0.04 0.00 0.00 61.00 61.32 2ctf s PRO 34 Cb -0.04 -1.68 -0.07 0.00 0.04 0.00 0.00 34.50 32.76 2ctf s PRO 34 CO 0.00 -3.11 0.09 0.45 0.04 0.00 0.00 177.00 174.47 2ctf n SER 35 N -4.40 4.01 0.32 6.66 2.88 -1.26 -4.57 113.62 117.25 2ctf n SER 35 Ca 0.08 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.81 2ctf n SER 35 Cb 0.58 1.13 1.04 0.00 -0.75 0.00 0.00 64.21 66.21 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 -0.44 0.66 5.08 -1.97 -1.34 115.95 117.94 2ctf h TRP 36 Ca -0.01 0.00 -0.24 0.00 1.08 0.00 0.00 58.89 59.71 2ctf h TRP 36 Cb 0.33 0.00 -0.15 0.00 -3.00 0.00 0.00 29.16 26.34 2ctf h TRP 36 CO 0.00 0.01 -0.04 1.47 -1.28 0.00 0.00 178.44 178.60 2ctf n LEU 37 N -3.30 4.49 0.19 0.11 -0.00 -1.26 -4.61 117.00 112.61 2ctf n LEU 37 Ca -0.02 -3.85 0.06 0.00 -0.00 0.00 0.00 56.01 52.19 2ctf n LEU 37 Cb 0.12 -0.65 0.30 0.00 -0.00 0.00 0.00 43.42 43.19 2ctf n LEU 37 CO 0.24 1.31 0.66 0.45 -0.00 0.00 0.00 177.39 180.05 2ctf h HIS 38 N 1.09 0.00 -0.01 1.47 3.86 -1.50 -1.33 115.15 118.73 2ctf h HIS 38 Ca 0.28 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.38 2ctf h HIS 38 Cb 1.72 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.17 2ctf h HIS 38 CO 1.10 0.37 -0.49 0.00 0.86 0.00 0.00 177.93 179.76 2ctf h ARG 39 N 0.00 0.02 0.09 2.45 2.47 -1.81 -1.91 114.38 115.69 2ctf h ARG 39 Ca -0.00 -0.01 -0.35 0.00 -1.26 0.00 0.00 59.98 58.35 2ctf h ARG 39 Cb 0.96 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.26 2ctf h ARG 39 CO 0.05 0.51 -1.98 1.19 0.56 0.00 0.00 179.97 180.30 2ctf n PHE 40 N -3.95 1.10 -0.03 3.04 3.72 -1.14 -2.67 117.46 117.53 2ctf n PHE 40 Ca -0.02 0.26 -0.01 0.00 -0.05 0.00 0.00 57.45 57.64 2ctf n PHE 40 Cb 0.51 -1.15 0.27 0.00 -0.94 0.00 0.00 39.48 38.16 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 0.05 1.21 0.00 4.37 2.10 -1.25 -3.21 117.51 120.78 2ctf h ILE 41 Ca -0.41 -0.83 -0.06 0.00 1.08 0.00 0.00 64.86 64.64 2ctf h ILE 41 Cb 2.03 0.92 -0.01 0.00 -1.09 0.00 0.00 36.82 38.67 2ctf h ILE 41 CO 0.07 0.29 -0.36 0.40 -1.08 0.00 0.00 178.15 177.47 2ctf h ILE 42 N 0.56 1.43 0.00 2.19 2.04 -1.50 -3.43 117.51 118.80 2ctf h ILE 42 Ca 0.12 -2.21 0.00 0.00 1.00 0.00 0.00 64.86 63.77 2ctf h ILE 42 Cb 0.35 2.84 0.00 0.00 -0.74 0.00 0.00 36.82 39.28 2ctf h ILE 42 CO 0.01 0.49 0.00 0.61 0.00 0.00 0.00 178.15 179.26 2ctf n GLY 43 N 1.57 -0.09 3.78 5.37 0.00 -1.09 -3.32 105.19 111.41 2ctf n GLY 43 Ca -0.16 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.82 4.04 -0.86 1.61 2.20 -1.26 -2.37 119.74 121.29 2ctf s LYS 44 Ca 0.00 2.52 -0.11 0.00 -0.36 0.00 0.00 55.97 58.02 2ctf s LYS 44 Cb 0.00 -2.91 0.11 0.00 -1.51 0.00 0.00 37.83 33.52 2ctf s LYS 44 CO 0.00 -0.57 0.27 1.17 -0.36 0.00 0.00 175.35 175.87 2ctf n LYS 45 N 0.35 -1.49 -3.47 4.03 4.81 -1.26 -0.78 118.16 120.36 2ctf n LYS 45 Ca 0.02 0.06 -0.16 0.00 -0.87 0.00 0.00 58.31 57.36 2ctf n LYS 45 Cb 0.40 -3.55 0.01 0.00 0.02 0.00 0.00 35.03 31.91 2ctf n LYS 45 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ctf n GLY 46 N -0.71 -1.21 0.08 3.14 0.00 -1.00 -4.96 105.19 100.53 2ctf n GLY 46 Ca 0.05 0.52 -0.10 0.00 0.00 0.00 0.00 46.02 46.50 2ctf n GLY 46 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ctf n GLN 47 N -2.65 0.49 -0.34 1.61 1.13 0.04 -3.24 117.38 114.43 2ctf n GLN 47 Ca -0.14 0.47 0.15 0.00 -1.94 0.00 0.00 57.00 55.54 2ctf n GLN 47 Cb 0.59 -1.65 0.36 0.00 0.11 0.00 0.00 30.24 29.66 2ctf n GLN 47 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 2ctf h ASN 48 N -1.00 0.71 -0.20 1.08 2.35 -1.83 -0.24 115.58 116.45 2ctf h ASN 48 Ca -0.10 0.10 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 2ctf h ASN 48 Cb 0.79 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.13 2ctf h ASN 48 CO -0.06 0.22 -0.41 -0.07 -1.65 0.00 0.00 177.43 175.46 2ctf h LEU 49 N 0.68 0.71 -0.80 1.61 3.38 -1.76 -3.20 115.31 115.92 2ctf h LEU 49 Ca 0.58 -0.55 0.17 0.00 0.09 0.00 0.00 57.88 58.17 2ctf h LEU 49 Cb 1.03 -0.20 -0.11 0.00 0.09 0.00 0.00 40.66 41.47 2ctf h LEU 49 CO -0.37 1.13 0.31 0.00 0.09 0.00 0.00 178.44 179.59 2ctf h ALA 50 N 0.60 1.16 0.65 1.53 0.00 -1.03 -0.16 119.26 122.00 2ctf h ALA 50 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2ctf h ALA 50 Cb 1.02 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2ctf h ALA 50 CO 0.09 -0.27 -0.43 0.87 0.00 0.00 0.00 179.25 179.51 2ctf h LYS 51 N 0.41 -0.99 -0.42 0.00 6.56 -1.43 0.94 116.57 121.63 2ctf h LYS 51 Ca 0.46 0.07 0.09 0.00 -1.06 0.00 0.00 60.65 60.20 2ctf h LYS 51 Cb 0.77 0.22 -0.08 0.00 -0.57 0.00 0.00 32.23 32.57 2ctf h LYS 51 CO -0.46 -0.66 -0.13 0.82 -2.06 0.00 0.00 179.45 176.96 2ctf h ILE 52 N -1.03 0.52 0.00 1.86 2.04 -1.45 0.38 117.51 119.84 2ctf h ILE 52 Ca -0.09 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 2ctf h ILE 52 Cb 0.83 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2ctf h ILE 52 CO 0.07 0.00 -0.00 0.71 0.00 0.00 0.00 178.15 178.93 2ctf h THR 53 N -0.04 0.01 0.07 -0.27 1.35 -0.92 0.25 112.91 113.37 2ctf h THR 53 Ca 0.21 -0.15 -0.15 0.00 -0.55 0.00 0.00 66.41 65.77 2ctf h THR 53 Cb 0.35 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 2ctf h THR 53 CO -0.46 0.00 -0.71 -0.61 -0.25 0.00 0.00 175.52 173.49 2ctf h GLN 54 N 0.00 0.15 0.00 4.72 4.15 0.23 -3.05 115.11 121.31 2ctf h GLN 54 Ca -0.00 -0.26 -0.13 0.00 0.77 0.00 0.00 58.65 59.03 2ctf h GLN 54 Cb 0.14 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 2ctf h GLN 54 CO 0.00 1.12 -0.60 -0.56 -1.93 0.00 0.00 178.83 176.87 2ctf h GLN 55 N -0.65 0.00 -2.61 1.69 3.07 -0.59 -3.37 115.11 112.66 2ctf h GLN 55 Ca -0.15 0.00 -0.60 0.00 0.09 0.00 0.00 58.65 57.99 2ctf h GLN 55 Cb 1.41 0.00 -0.39 0.00 0.08 0.00 0.00 27.48 28.58 2ctf h GLN 55 CO 0.04 0.60 -0.84 -1.33 0.09 0.00 0.00 178.83 177.39 2ctf n MET 56 N -3.52 0.79 0.10 0.06 2.81 0.86 -4.95 117.12 113.26 2ctf n MET 56 Ca -0.00 -3.65 -0.02 0.00 -1.81 0.00 0.00 57.70 52.22 2ctf n MET 56 Cb 0.67 -1.88 0.20 0.00 -0.71 0.00 0.00 33.22 31.50 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 5.51 0.22 -0.84 0.03 0.13 -1.71 -3.07 132.00 132.26 2ctf h PRO 57 Ca 0.22 -0.11 0.04 0.00 -0.87 0.00 0.00 66.00 65.28 2ctf h PRO 57 Cb 0.85 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.94 2ctf h PRO 57 CO 0.50 0.64 0.55 0.87 -0.23 0.00 0.00 178.00 180.33 2ctf h LYS 58 N 0.18 0.99 -6.64 0.86 1.79 -1.92 -3.41 116.57 108.42 2ctf h LYS 58 Ca 0.01 -0.06 -0.51 0.00 -2.18 0.00 0.00 60.65 57.91 2ctf h LYS 58 Cb 0.89 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 31.31 2ctf h LYS 58 CO 0.07 0.66 0.42 0.08 -1.08 0.00 0.00 179.45 179.60 2ctf s VAL 59 N -5.88 4.10 -0.28 0.50 1.01 -1.16 -4.33 120.40 114.37 2ctf s VAL 59 Ca -0.11 1.82 -0.03 0.00 0.00 0.00 0.00 61.98 63.66 2ctf s VAL 59 Cb 0.19 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.44 2ctf s VAL 59 CO 0.79 0.31 -0.00 -2.28 0.00 0.00 0.00 175.10 173.92 2ctf s HIS 60 N -0.25 3.15 -0.10 5.22 2.46 0.37 -4.91 115.29 121.22 2ctf s HIS 60 Ca 0.48 -1.50 -0.15 0.00 0.47 0.00 0.00 55.06 54.35 2ctf s HIS 60 Cb -0.27 -2.13 -0.05 0.00 -0.13 0.00 0.00 32.58 30.00 2ctf s HIS 60 CO 0.33 -0.71 0.39 0.42 -2.47 0.00 0.00 174.74 172.69 2ctf s ILE 61 N 1.35 5.19 0.04 0.89 1.01 -1.26 -2.41 121.20 126.01 2ctf s ILE 61 Ca -0.01 0.77 0.04 0.00 0.00 0.00 0.00 60.65 61.45 2ctf s ILE 61 Cb -0.18 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 2ctf s ILE 61 CO -0.02 0.42 -0.11 -0.70 0.00 0.00 0.00 174.94 174.54 2ctf s GLU 62 N 0.06 0.75 -0.15 2.79 2.12 -0.71 -5.00 118.70 118.57 2ctf s GLU 62 Ca 0.22 -0.70 0.01 0.00 0.36 0.00 0.00 54.97 54.87 2ctf s GLU 62 Cb -0.15 -0.70 0.02 0.00 0.26 0.00 0.00 34.13 33.56 2ctf s GLU 62 CO 0.09 0.17 -0.19 -0.06 -0.54 0.00 0.00 175.26 174.73 2ctf s PHE 63 N -0.91 2.51 0.52 5.30 0.08 -1.26 -2.58 117.98 121.64 2ctf s PHE 63 Ca -0.01 -1.39 0.01 0.00 0.12 0.00 0.00 56.93 55.66 2ctf s PHE 63 Cb -0.08 -1.76 0.02 0.00 -0.57 0.00 0.00 43.02 40.64 2ctf s PHE 63 CO 0.01 -0.69 0.75 0.95 -0.10 0.00 0.00 175.22 176.14 2ctf s THR 64 N 1.18 3.07 -0.02 0.64 -4.23 -1.18 -5.06 115.64 110.04 2ctf s THR 64 Ca 0.00 -0.60 -0.02 0.00 -1.18 0.00 0.00 61.69 59.90 2ctf s THR 64 Cb -0.14 -3.15 -0.01 0.00 1.34 0.00 0.00 72.50 70.54 2ctf s THR 64 CO -0.08 -0.11 -0.04 1.21 -0.54 0.00 0.00 174.62 175.06 2ctf n GLU 65 N -2.28 0.07 0.05 3.99 2.13 -1.26 -4.41 120.64 118.93 2ctf n GLU 65 Ca 0.06 0.14 -0.20 0.00 0.66 0.00 0.00 57.16 57.82 2ctf n GLU 65 Cb 0.59 -0.74 -0.15 0.00 0.27 0.00 0.00 31.44 31.42 2ctf n GLU 65 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2ctf h GLY 66 N -0.14 0.34 0.45 8.31 0.00 -2.00 -3.28 103.07 106.75 2ctf h GLY 66 Ca 0.00 -0.86 0.18 0.00 0.00 0.00 0.00 47.33 46.65 2ctf h GLY 66 CO 0.00 0.76 0.60 0.83 0.00 0.00 0.00 176.54 178.72 2ctf h GLU 67 N -0.38 0.00 -6.51 4.80 3.07 -2.01 -3.45 114.58 110.11 2ctf h GLU 67 Ca -0.15 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 58.21 2ctf h GLU 67 Cb 1.64 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.53 2ctf h GLU 67 CO 0.15 0.00 -0.92 -0.40 -1.40 0.00 0.00 179.01 176.44 2ctf n ASP 68 N -3.80 -1.75 -3.87 1.42 5.75 -1.24 -4.96 116.55 108.09 2ctf n ASP 68 Ca 0.13 -1.05 -0.09 0.00 -0.01 0.00 0.00 54.79 53.76 2ctf n ASP 68 Cb 0.83 -2.92 -0.07 0.00 -1.03 0.00 0.00 41.12 37.94 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 -6.55 1.06 -0.25 0.11 -2.85 -1.23 -3.85 119.74 106.18 2ctf s LYS 69 Ca 0.16 -1.02 -0.04 0.00 -1.00 0.00 0.00 55.97 54.07 2ctf s LYS 69 Cb -0.06 0.39 0.01 0.00 -2.06 0.00 0.00 37.83 36.10 2ctf s LYS 69 CO 0.90 -0.38 -0.02 0.42 0.10 0.00 0.00 175.35 176.36 2ctf s ILE 70 N -3.91 3.34 -0.02 3.79 1.01 -0.60 -3.07 121.20 121.75 2ctf s ILE 70 Ca 0.11 -0.70 -0.18 0.00 0.00 0.00 0.00 60.65 59.88 2ctf s ILE 70 Cb 0.03 -2.62 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 2ctf s ILE 70 CO -0.05 0.28 0.49 -0.89 0.00 0.00 0.00 174.94 174.76 2ctf s THR 71 N 1.43 4.99 0.02 2.92 2.01 -1.07 0.02 115.64 125.97 2ctf s THR 71 Ca 0.03 1.01 0.07 0.00 0.31 0.00 0.00 61.69 63.12 2ctf s THR 71 Cb -0.16 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 2ctf s THR 71 CO -0.02 0.48 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.41 2ctf s LEU 72 N -0.47 2.11 -0.02 4.42 2.01 0.97 -1.73 118.68 125.97 2ctf s LEU 72 Ca 0.26 -0.47 0.01 0.00 0.01 0.00 0.00 54.13 53.94 2ctf s LEU 72 Cb -0.17 -1.06 0.02 0.00 0.01 0.00 0.00 46.19 44.99 2ctf s LEU 72 CO 0.14 0.21 -0.01 -1.61 1.01 0.00 0.00 176.35 176.09 2ctf s GLU 73 N -0.89 0.29 0.00 1.70 2.02 -1.01 -2.03 118.70 118.78 2ctf s GLU 73 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 54.97 55.07 2ctf s GLU 73 Cb -0.09 -0.39 0.00 0.00 0.10 0.00 0.00 34.13 33.75 2ctf s GLU 73 CO 0.01 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.64 2ctf n GLY 74 N 3.70 0.15 3.69 -1.39 0.00 -0.58 -0.48 105.19 110.29 2ctf n GLY 74 Ca -0.22 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 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 4.28 0.58 1.61 0.04 -1.26 -1.25 135.00 137.00 2ctf s PRO 75 Ca 0.00 2.02 0.40 0.00 0.04 0.00 0.00 61.00 63.46 2ctf s PRO 75 Cb 0.00 -3.50 1.43 0.00 0.04 0.00 0.00 34.50 32.46 2ctf s PRO 75 CO 0.00 -0.56 1.53 0.00 0.04 0.00 0.00 177.00 178.02 2ctf h THR 76 N 4.76 0.08 0.18 1.26 1.03 -1.84 0.55 112.91 118.93 2ctf h THR 76 Ca -0.39 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.00 2ctf h THR 76 Cb 1.19 0.10 0.00 0.00 -1.07 0.00 0.00 68.15 68.37 2ctf h THR 76 CO 0.90 0.00 -0.09 -0.08 -0.01 0.00 0.00 175.52 176.24 2ctf h GLU 77 N 0.00 -0.23 0.06 0.00 4.81 -1.97 -2.45 114.58 114.79 2ctf h GLU 77 Ca 0.70 0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.80 2ctf h GLU 77 Cb 3.14 0.05 0.01 0.00 0.63 0.00 0.00 28.75 32.59 2ctf h GLU 77 CO -0.01 0.01 -0.60 -0.44 -0.73 0.00 0.00 179.01 177.24 2ctf h ASP 78 N -0.45 0.42 -1.06 1.04 5.19 -0.43 -3.29 116.42 117.83 2ctf h ASP 78 Ca -0.02 -0.87 0.29 0.00 -0.62 0.00 0.00 57.03 55.80 2ctf h ASP 78 Cb 0.35 -0.13 -0.11 0.00 0.18 0.00 0.00 39.33 39.62 2ctf h ASP 78 CO 0.04 1.24 0.66 0.58 -3.12 0.00 0.00 179.24 178.64 2ctf h VAL 79 N -0.35 0.46 -0.15 -1.35 2.07 -0.78 0.79 116.25 116.94 2ctf h VAL 79 Ca -0.09 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 2ctf h VAL 79 Cb 1.39 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2ctf h VAL 79 CO 0.11 0.07 -0.25 0.28 0.02 0.00 0.00 177.57 177.81 2ctf h SER 80 N 0.40 0.27 0.40 0.57 0.02 -1.50 0.19 113.55 113.90 2ctf h SER 80 Ca 0.65 -0.08 -0.31 0.00 -0.84 0.00 0.00 61.79 61.20 2ctf h SER 80 Cb 1.57 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 64.04 2ctf h SER 80 CO -0.39 0.53 -1.50 0.58 -1.14 0.00 0.00 176.83 174.90 2ctf h VAL 81 N 0.24 1.21 -0.17 2.27 2.07 0.31 -2.78 116.25 119.40 2ctf h VAL 81 Ca 0.04 -2.78 -0.16 0.00 0.82 0.00 0.00 66.70 64.62 2ctf h VAL 81 Cb 0.58 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 2ctf h VAL 81 CO 0.04 0.84 -0.53 0.00 0.02 0.00 0.00 177.57 177.94 2ctf h ALA 82 N 0.37 0.30 -0.31 1.67 0.00 -0.38 -1.73 119.26 119.18 2ctf h ALA 82 Ca -0.24 -0.51 -0.13 0.00 0.00 0.00 0.00 54.91 54.03 2ctf h ALA 82 Cb 2.06 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 2ctf h ALA 82 CO 0.20 0.50 -0.33 -0.56 0.00 0.00 0.00 179.25 179.05 2ctf h GLN 83 N 0.34 0.67 -0.11 0.00 3.07 -0.76 -2.91 115.11 115.41 2ctf h GLN 83 Ca -0.02 -0.31 -0.04 0.00 0.09 0.00 0.00 58.65 58.37 2ctf h GLN 83 Cb 1.15 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 28.70 2ctf h GLN 83 CO 0.11 0.91 -0.09 1.49 0.09 0.00 0.00 178.83 181.34 2ctf h GLU 84 N 0.56 0.26 -0.99 0.06 4.81 -1.51 -2.41 114.58 115.37 2ctf h GLU 84 Ca 0.06 -0.13 0.16 0.00 -0.13 0.00 0.00 59.36 59.32 2ctf h GLU 84 Cb 0.84 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.13 2ctf h GLU 84 CO 0.07 0.65 0.62 1.96 -0.73 0.00 0.00 179.01 181.58 2ctf h GLN 85 N -0.13 0.81 0.04 1.92 4.20 -1.30 -1.96 115.11 118.69 2ctf h GLN 85 Ca 0.02 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 2ctf h GLN 85 Cb 0.59 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2ctf h GLN 85 CO 0.02 0.53 -0.02 0.82 -0.67 0.00 0.00 178.83 179.52 2ctf h ILE 86 N 0.83 1.26 -1.03 2.54 2.04 -1.46 -3.11 117.51 118.59 2ctf h ILE 86 Ca 0.53 -1.01 0.26 0.00 1.00 0.00 0.00 64.86 65.65 2ctf h ILE 86 Cb 0.73 1.93 -0.11 0.00 -0.74 0.00 0.00 36.82 38.62 2ctf h ILE 86 CO -0.30 0.25 0.63 -0.33 0.00 0.00 0.00 178.15 178.40 2ctf h GLU 87 N -0.50 0.46 0.04 2.37 5.08 -0.85 0.84 114.58 122.02 2ctf h GLU 87 Ca -0.01 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2ctf h GLU 87 Cb 0.45 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2ctf h GLU 87 CO 0.01 0.31 -0.02 0.78 -1.00 0.00 0.00 179.01 179.08 2ctf h GLY 88 N 0.48 -0.06 2.00 -3.84 0.00 -1.34 -0.99 103.07 99.32 2ctf h GLY 88 Ca 0.64 0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.93 2ctf h GLY 88 CO -0.41 -0.02 -0.27 0.00 0.00 0.00 0.00 176.54 175.84 2ctf h MET 89 N -0.10 0.00 0.31 4.80 -0.00 -1.08 -1.48 114.93 117.38 2ctf h MET 89 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 2ctf h MET 89 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.69 2ctf h MET 89 CO 0.01 0.27 -0.15 0.28 -0.00 0.00 0.00 176.91 177.32 2ctf h VAL 90 N 0.00 0.57 -0.49 -0.10 2.07 -0.50 -0.64 116.25 117.16 2ctf h VAL 90 Ca -0.00 -0.75 -0.08 0.00 0.82 0.00 0.00 66.70 66.69 2ctf h VAL 90 Cb 0.67 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 2ctf h VAL 90 CO 0.03 0.12 -0.01 0.50 0.02 0.00 0.00 177.57 178.24 2ctf h LYS 91 N -0.90 0.83 -0.33 1.57 3.64 -1.20 -2.57 116.57 117.61 2ctf h LYS 91 Ca -0.04 -0.23 -0.04 0.00 -1.27 0.00 0.00 60.65 59.06 2ctf h LYS 91 Cb 0.52 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2ctf h LYS 91 CO 0.07 0.84 0.03 0.22 -2.27 0.00 0.00 179.45 178.34 2ctf h ASP 92 N 0.77 0.54 -0.34 4.20 1.82 -1.33 0.12 116.42 122.21 2ctf h ASP 92 Ca 0.15 -0.28 0.03 0.00 -0.39 0.00 0.00 57.03 56.54 2ctf h ASP 92 Cb 0.48 -0.14 -0.03 0.00 0.68 0.00 0.00 39.33 40.31 2ctf h ASP 92 CO 0.02 0.69 0.14 -0.07 -1.61 0.00 0.00 179.24 178.41 2ctf h LEU 93 N 0.38 0.17 -0.37 2.28 3.38 -0.96 0.27 115.31 120.46 2ctf h LEU 93 Ca 0.10 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 2ctf h LEU 93 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2ctf h LEU 93 CO 0.01 0.14 -0.08 0.40 0.09 0.00 0.00 178.44 178.99 2ctf h ILE 94 N 0.29 1.28 -0.78 1.22 2.04 -1.39 -3.07 117.51 117.10 2ctf h ILE 94 Ca 0.15 -1.15 -0.04 0.00 1.00 0.00 0.00 64.86 64.82 2ctf h ILE 94 Cb 0.10 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 2ctf h ILE 94 CO -0.14 0.38 0.35 0.78 0.00 0.00 0.00 178.15 179.52 2ctf h ASN 95 N 0.51 1.04 -0.13 1.72 2.35 -0.63 -2.62 115.58 117.82 2ctf h ASN 95 Ca 0.09 -0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.62 2ctf h ASN 95 Cb 0.59 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.66 2ctf h ASN 95 CO 0.04 0.89 0.11 0.54 -1.65 0.00 0.00 177.43 177.36 2ctf n ARG 96 N -4.30 1.22 -2.87 0.81 1.74 0.90 -4.89 116.66 109.27 2ctf n ARG 96 Ca 0.07 -0.43 -0.25 0.00 -0.77 0.00 0.00 57.85 56.47 2ctf n ARG 96 Cb 0.16 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 2ctf n ARG 96 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2ctf s SER 97 N 1.45 6.07 0.00 0.55 0.15 -0.99 -4.98 113.70 115.96 2ctf s SER 97 Ca 0.08 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.36 2ctf s SER 97 Cb 0.07 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 2ctf s SER 97 CO -0.00 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.44 2ctf n GLY 98 N -2.14 -1.60 0.18 9.45 0.00 -1.26 -5.04 105.19 104.77 2ctf n GLY 98 Ca -0.00 0.86 -0.02 0.00 0.00 0.00 0.00 46.02 46.86 2ctf n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctf h PRO 99 N 0.00 0.17 0.11 1.61 0.13 -2.02 -3.26 132.00 128.75 2ctf h PRO 99 Ca 0.00 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 2ctf h PRO 99 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2ctf h PRO 99 CO 0.00 0.61 -0.05 0.66 -0.23 0.00 0.00 178.00 178.99 2ctf h SER 100 N 0.14 -0.13 -3.72 1.44 4.64 -2.05 -3.41 113.55 110.46 2ctf h SER 100 Ca 0.01 -0.38 -0.67 0.00 -0.47 0.00 0.00 61.79 60.27 2ctf h SER 100 Cb 0.89 0.03 -0.35 0.00 -0.31 0.00 0.00 62.40 62.66 2ctf h SER 100 CO 0.07 0.35 -0.76 -0.55 -0.87 0.00 0.00 176.83 175.07 2ctf s SER 101 N -5.50 4.48 0.00 4.97 0.15 -1.23 -5.33 113.70 111.24 2ctf s SER 101 Ca -0.15 -1.22 0.00 0.00 0.70 0.00 0.00 55.95 55.29 2ctf s SER 101 Cb 0.01 -1.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.71 2ctf s SER 101 CO 0.60 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.46