#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 2.78 0.14 1.61 1.04 -1.26 -4.93 113.70 113.07 2ctf s SER 2 Ca 0.00 1.70 -0.23 0.00 0.48 0.00 0.00 55.95 57.90 2ctf s SER 2 Cb 0.00 -2.33 -0.01 0.00 0.10 0.00 0.00 66.02 63.78 2ctf s SER 2 CO 0.00 -3.11 1.65 0.28 0.98 0.00 0.00 173.24 173.04 2ctf h SER 3 N -1.87 -0.64 0.00 7.02 0.02 -2.12 -3.47 113.55 112.48 2ctf h SER 3 Ca -0.50 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2ctf h SER 3 Cb 1.29 0.30 0.00 0.00 0.14 0.00 0.00 62.40 64.12 2ctf h SER 3 CO 0.50 -0.25 0.00 0.61 -1.14 0.00 0.00 176.83 176.54 2ctf n GLY 4 N -1.34 0.97 3.23 -3.77 0.00 -1.26 -4.94 105.19 98.07 2ctf n GLY 4 Ca -0.02 -0.87 -0.18 0.00 0.00 0.00 0.00 46.02 44.94 2ctf n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ctf n SER 5 N 0.00 -4.12 -4.76 1.61 7.64 -1.26 -4.95 113.62 107.78 2ctf n SER 5 Ca 0.00 -0.50 -0.39 0.00 1.01 0.00 0.00 58.87 58.99 2ctf n SER 5 Cb 0.00 -4.49 0.01 0.00 -1.01 0.00 0.00 64.21 58.72 2ctf n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ctf s SER 6 N -3.69 5.88 0.00 6.43 0.15 -1.26 -4.94 113.70 116.27 2ctf s SER 6 Ca 0.28 2.66 0.00 0.00 0.70 0.00 0.00 55.95 59.59 2ctf s SER 6 Cb -0.12 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 2ctf s SER 6 CO 0.64 -1.14 0.00 0.61 1.20 0.00 0.00 173.24 174.54 2ctf n GLY 7 N 0.63 3.40 3.59 9.45 0.00 -1.26 -5.16 105.19 115.83 2ctf n GLY 7 Ca 0.07 -1.47 -0.15 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.31 0.91 1.15 1.61 -1.05 -1.26 -5.18 118.70 112.58 2ctf s GLU 8 Ca 0.00 0.68 -0.18 0.00 -0.15 0.00 0.00 54.97 55.32 2ctf s GLU 8 Cb 0.00 0.44 0.26 0.00 -0.44 0.00 0.00 34.13 34.39 2ctf s GLU 8 CO 0.00 -0.19 1.11 -1.25 0.95 0.00 0.00 175.26 175.88 2ctf s PRO 9 N -0.27 -0.83 0.09 -4.83 0.04 -1.26 -5.08 135.00 122.86 2ctf s PRO 9 Ca -0.04 0.07 0.08 0.00 0.04 0.00 0.00 61.00 61.14 2ctf s PRO 9 Cb -0.03 -1.63 -0.03 0.00 0.04 0.00 0.00 34.50 32.85 2ctf s PRO 9 CO 0.04 -3.48 -0.20 -1.21 0.04 0.00 0.00 177.00 172.19 2ctf s GLU 10 N -5.30 1.16 -0.08 4.56 8.01 -1.26 -5.14 118.70 120.65 2ctf s GLU 10 Ca 0.70 -1.10 0.00 0.00 0.01 0.00 0.00 54.97 54.58 2ctf s GLU 10 Cb -0.12 -1.38 0.02 0.00 -4.31 0.00 0.00 34.13 28.34 2ctf s GLU 10 CO 0.56 0.33 -0.06 0.15 0.01 0.00 0.00 175.26 176.25 2ctf s LYS 11 N -1.73 1.22 0.42 1.61 1.02 -1.26 -5.14 119.74 115.88 2ctf s LYS 11 Ca 0.06 -0.17 0.04 0.00 0.02 0.00 0.00 55.97 55.93 2ctf s LYS 11 Cb -0.10 -1.29 -0.05 0.00 -0.52 0.00 0.00 37.83 35.88 2ctf s LYS 11 CO 0.04 -0.20 0.03 -0.48 -0.92 0.00 0.00 175.35 173.82 2ctf s LEU 12 N 1.47 2.48 0.00 3.17 0.05 -1.26 -5.08 118.68 119.50 2ctf s LEU 12 Ca -0.01 -1.49 0.00 0.00 0.05 0.00 0.00 54.13 52.68 2ctf s LEU 12 Cb -0.13 -0.66 0.00 0.00 -2.05 0.00 0.00 46.19 43.35 2ctf s LEU 12 CO -0.04 -0.65 0.00 0.61 -0.55 0.00 0.00 176.35 175.72 2ctf n GLY 13 N -0.99 1.19 3.29 -3.48 0.00 -1.26 -5.15 105.19 98.78 2ctf n GLY 13 Ca -0.09 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.90 2ctf n GLY 13 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ctf s GLN 14 N -1.30 0.39 -0.13 1.61 0.74 -1.26 -5.14 119.66 114.57 2ctf s GLN 14 Ca 0.00 0.88 -0.04 0.00 0.05 0.00 0.00 55.36 56.25 2ctf s GLN 14 Cb 0.00 0.09 0.06 0.00 1.10 0.00 0.00 33.01 34.26 2ctf s GLN 14 CO 0.00 -0.19 0.23 0.00 -0.55 0.00 0.00 175.29 174.78 2ctf s ALA 15 N 1.77 -0.39 -0.60 1.58 0.00 -1.26 -5.09 121.76 117.76 2ctf s ALA 15 Ca -0.07 0.72 -0.26 0.00 0.00 0.00 0.00 51.96 52.34 2ctf s ALA 15 Cb -0.09 -1.00 -0.06 0.00 0.00 0.00 0.00 23.12 21.96 2ctf s ALA 15 CO -0.13 -0.70 2.19 -0.51 0.00 0.00 0.00 175.76 176.60 2ctf s LEU 16 N 2.37 3.28 0.29 0.00 1.43 -1.26 -4.93 118.68 119.86 2ctf s LEU 16 Ca 0.03 0.56 0.11 0.00 -1.03 0.00 0.00 54.13 53.80 2ctf s LEU 16 Cb -0.13 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.52 2ctf s LEU 16 CO -0.08 -2.82 -0.17 0.42 0.23 0.00 0.00 176.35 173.92 2ctf s THR 17 N 11.30 2.36 -0.29 5.49 -4.23 -1.26 -5.15 115.64 123.86 2ctf s THR 17 Ca 0.84 -2.35 -0.22 0.00 -1.18 0.00 0.00 61.69 58.79 2ctf s THR 17 Cb -0.14 -2.35 0.15 0.00 1.34 0.00 0.00 72.50 71.50 2ctf s THR 17 CO 0.20 -0.37 1.14 -1.83 -0.54 0.00 0.00 174.62 173.22 2ctf s GLU 18 N -3.54 0.31 1.05 3.99 -1.05 -1.26 -5.17 118.70 113.03 2ctf s GLU 18 Ca 0.30 0.43 -0.12 0.00 -0.15 0.00 0.00 54.97 55.43 2ctf s GLU 18 Cb -0.03 0.12 0.22 0.00 -0.44 0.00 0.00 34.13 34.00 2ctf s GLU 18 CO 0.15 -0.05 1.07 0.54 0.95 0.00 0.00 175.26 177.92 2ctf s VAL 19 N 0.56 2.15 -0.58 1.83 0.11 -1.26 -5.01 120.40 118.21 2ctf s VAL 19 Ca -0.00 0.05 0.04 0.00 -2.93 0.00 0.00 61.98 59.14 2ctf s VAL 19 Cb -0.04 -2.21 0.16 0.00 -1.53 0.00 0.00 36.38 32.75 2ctf s VAL 19 CO -0.11 -0.07 0.38 -0.72 -3.33 0.00 0.00 175.10 171.25 2ctf s TYR 20 N -2.63 2.83 0.52 1.54 1.13 -1.26 -5.09 117.35 114.40 2ctf s TYR 20 Ca 0.67 -2.99 0.02 0.00 -1.41 0.00 0.00 57.07 53.36 2ctf s TYR 20 Cb -0.23 -2.31 -0.00 0.00 -1.10 0.00 0.00 41.96 38.33 2ctf s TYR 20 CO 0.61 -0.67 0.07 0.00 -2.51 0.00 0.00 175.55 173.05 2ctf s ALA 21 N -0.67 4.21 -0.18 9.51 0.00 -1.26 -5.15 121.76 128.22 2ctf s ALA 21 Ca 0.23 -0.44 -0.04 0.00 0.00 0.00 0.00 51.96 51.71 2ctf s ALA 21 Cb -0.11 -0.11 0.09 0.00 0.00 0.00 0.00 23.12 22.99 2ctf s ALA 21 CO -0.11 -0.09 0.29 0.15 0.00 0.00 0.00 175.76 176.00 2ctf s LYS 22 N -3.96 0.21 -0.30 0.00 -0.14 -1.26 -5.12 119.74 109.18 2ctf s LYS 22 Ca 0.09 0.58 0.01 0.00 -1.36 0.00 0.00 55.97 55.30 2ctf s LYS 22 Cb 0.01 -0.42 0.07 0.00 -1.68 0.00 0.00 37.83 35.80 2ctf s LYS 22 CO 0.05 -0.46 -0.03 0.00 -0.76 0.00 0.00 175.35 174.16 2ctf s ALA 23 N 2.44 2.74 -0.78 5.17 0.00 -1.26 -5.06 121.76 125.01 2ctf s ALA 23 Ca 0.05 -1.96 -0.17 0.00 0.00 0.00 0.00 51.96 49.88 2ctf s ALA 23 Cb -0.14 -1.82 0.16 0.00 0.00 0.00 0.00 23.12 21.32 2ctf s ALA 23 CO -0.11 -1.35 0.83 -0.80 0.00 0.00 0.00 175.76 174.32 2ctf s ASN 24 N 1.16 6.55 -0.05 0.00 0.02 -1.26 -5.00 114.94 116.36 2ctf s ASN 24 Ca -0.03 -2.16 -0.04 0.00 -1.02 0.00 0.00 52.86 49.62 2ctf s ASN 24 Cb -0.20 -2.28 0.02 0.00 0.02 0.00 0.00 41.25 38.81 2ctf s ASN 24 CO -0.04 -0.85 0.13 -0.94 0.02 0.00 0.00 177.10 175.42 2ctf s SER 25 N 3.01 -0.12 0.11 -1.22 1.04 -1.26 -5.12 113.70 110.13 2ctf s SER 25 Ca 0.19 0.27 -0.26 0.00 0.48 0.00 0.00 55.95 56.63 2ctf s SER 25 Cb -0.13 0.23 -0.15 0.00 0.10 0.00 0.00 66.02 66.06 2ctf s SER 25 CO -0.05 -0.08 0.58 0.33 0.98 0.00 0.00 173.24 175.00 2ctf n PHE 26 N 3.48 -0.08 -4.96 5.02 -0.00 -1.26 -4.63 117.46 115.02 2ctf n PHE 26 Ca -0.18 0.81 -0.29 0.00 -0.00 0.00 0.00 57.45 57.80 2ctf n PHE 26 Cb 0.56 -1.63 -0.17 0.00 -0.00 0.00 0.00 39.48 38.24 2ctf n PHE 26 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 2ctf s THR 27 N -0.53 1.67 -0.20 -2.13 2.01 0.18 -4.94 115.64 111.69 2ctf s THR 27 Ca 0.60 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.80 2ctf s THR 27 Cb -0.85 -1.46 0.05 0.00 0.01 0.00 0.00 72.50 70.25 2ctf s THR 27 CO 0.46 0.47 -0.09 -0.69 -0.69 0.00 0.00 174.62 174.08 2ctf s VAL 28 N 0.36 1.62 0.15 3.82 1.01 -1.26 -0.76 120.40 125.33 2ctf s VAL 28 Ca -0.14 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.82 2ctf s VAL 28 Cb -0.16 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2ctf s VAL 28 CO 0.06 0.13 -0.03 -0.55 0.00 0.00 0.00 175.10 174.71 2ctf s SER 29 N 1.40 1.25 0.20 3.32 0.15 -0.75 -4.97 113.70 114.29 2ctf s SER 29 Ca -0.02 -1.11 0.11 0.00 0.70 0.00 0.00 55.95 55.63 2ctf s SER 29 Cb -0.17 0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.20 2ctf s SER 29 CO -0.08 -0.52 -0.22 -0.44 1.20 0.00 0.00 173.24 173.19 2ctf s SER 30 N -3.14 3.57 -0.22 5.45 0.01 -1.26 0.28 113.70 118.39 2ctf s SER 30 Ca 0.20 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.63 2ctf s SER 30 Cb 0.05 -0.33 0.03 0.00 0.21 0.00 0.00 66.02 65.99 2ctf s SER 30 CO 0.01 0.11 -0.13 -0.69 0.41 0.00 0.00 173.24 172.96 2ctf s VAL 31 N -1.73 2.41 -0.62 3.43 1.01 0.66 -4.94 120.40 120.63 2ctf s VAL 31 Ca 0.22 -1.10 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 2ctf s VAL 31 Cb -0.08 -2.18 -0.13 0.00 0.00 0.00 0.00 36.38 33.99 2ctf s VAL 31 CO 0.11 0.30 2.45 0.00 0.00 0.00 0.00 175.10 177.96 2ctf n ALA 32 N 4.60 0.69 -2.87 5.51 0.00 -1.26 -2.29 120.51 124.90 2ctf n ALA 32 Ca -0.18 -0.48 -0.12 0.00 0.00 0.00 0.00 53.44 52.66 2ctf n ALA 32 Cb 0.47 -2.71 -0.14 0.00 0.00 0.00 0.00 19.45 17.08 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 9.81 0.10 1.07 0.00 0.00 -1.25 -4.97 121.76 126.52 2ctf s ALA 33 Ca 1.14 -0.14 -0.14 0.00 0.00 0.00 0.00 51.96 52.82 2ctf s ALA 33 Cb -0.73 0.01 0.22 0.00 0.00 0.00 0.00 23.12 22.62 2ctf s ALA 33 CO 0.40 -0.01 1.10 -1.25 0.00 0.00 0.00 175.76 176.00 2ctf s PRO 34 N -0.27 -0.16 -0.01 0.00 0.04 -1.26 -3.27 135.00 130.07 2ctf s PRO 34 Ca -0.02 0.33 0.03 0.00 0.04 0.00 0.00 61.00 61.38 2ctf s PRO 34 Cb -0.02 -1.69 -0.05 0.00 0.04 0.00 0.00 34.50 32.78 2ctf s PRO 34 CO -0.00 -3.08 0.06 -1.13 0.04 0.00 0.00 177.00 172.89 2ctf n SER 35 N -4.39 4.17 0.23 6.66 3.41 -1.26 -4.57 113.62 117.88 2ctf n SER 35 Ca 0.07 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.84 2ctf n SER 35 Cb 0.58 1.01 0.82 0.00 -0.26 0.00 0.00 64.21 66.37 2ctf n SER 35 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2ctf h TRP 36 N 0.00 0.00 -0.20 7.33 5.08 -1.96 -0.68 115.95 125.52 2ctf h TRP 36 Ca -0.02 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.85 2ctf h TRP 36 Cb 0.44 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.54 2ctf h TRP 36 CO 0.00 0.00 -0.23 1.47 -1.28 0.00 0.00 178.44 178.40 2ctf n LEU 37 N -2.61 3.52 -0.11 0.11 -0.00 -1.26 -4.69 117.00 111.95 2ctf n LEU 37 Ca -0.02 -3.76 -0.13 0.00 -0.00 0.00 0.00 56.01 52.10 2ctf n LEU 37 Cb 0.08 -0.58 -0.03 0.00 -0.00 0.00 0.00 43.42 42.88 2ctf n LEU 37 CO 0.15 1.27 0.60 0.45 -0.00 0.00 0.00 177.39 179.86 2ctf h HIS 38 N 0.98 0.95 0.00 1.47 3.86 -1.38 0.25 115.15 121.29 2ctf h HIS 38 Ca 0.12 -0.27 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 2ctf h HIS 38 Cb 1.38 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.64 2ctf h HIS 38 CO 0.86 1.04 0.00 2.89 0.86 0.00 0.00 177.93 183.58 2ctf n ARG 39 N -4.21 0.10 -0.10 2.45 1.85 -1.26 -1.87 116.66 113.62 2ctf n ARG 39 Ca -0.03 0.43 -0.15 0.00 -1.00 0.00 0.00 57.85 57.11 2ctf n ARG 39 Cb 0.47 -1.74 -0.10 0.00 -1.05 0.00 0.00 32.46 30.05 2ctf n ARG 39 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2ctf n PHE 40 N -1.94 0.00 -0.28 2.89 3.72 -1.01 -3.81 117.46 117.03 2ctf n PHE 40 Ca 0.01 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.36 2ctf n PHE 40 Cb 0.14 -0.80 0.06 0.00 -0.94 0.00 0.00 39.48 37.95 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 -0.02 1.25 0.14 4.37 2.10 -0.33 -3.20 117.51 121.82 2ctf h ILE 41 Ca -0.46 -0.71 -0.01 0.00 1.08 0.00 0.00 64.86 64.76 2ctf h ILE 41 Cb 1.71 0.28 0.00 0.00 -1.09 0.00 0.00 36.82 37.72 2ctf h ILE 41 CO -0.08 0.30 -0.07 0.40 -1.08 0.00 0.00 178.15 177.62 2ctf h ILE 42 N 1.10 0.88 0.00 2.19 2.04 -1.61 -3.41 117.51 118.70 2ctf h ILE 42 Ca 0.27 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.93 2ctf h ILE 42 Cb 0.13 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 2ctf h ILE 42 CO -0.03 0.23 0.00 0.61 0.00 0.00 0.00 178.15 178.96 2ctf n GLY 43 N 0.70 0.73 3.71 5.37 0.00 -1.21 -2.24 105.19 112.26 2ctf n GLY 43 Ca -0.08 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 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 -1.38 4.23 -0.65 1.61 2.20 -1.26 -2.68 119.74 121.81 2ctf s LYS 44 Ca 0.00 2.31 -0.08 0.00 -0.36 0.00 0.00 55.97 57.84 2ctf s LYS 44 Cb 0.00 -3.25 0.08 0.00 -1.51 0.00 0.00 37.83 33.15 2ctf s LYS 44 CO 0.00 -0.60 0.20 1.63 -0.36 0.00 0.00 175.35 176.22 2ctf n LYS 45 N 4.26 -2.26 -2.50 4.03 4.76 -1.26 -3.13 118.16 122.06 2ctf n LYS 45 Ca 0.14 0.06 -0.04 0.00 -2.87 0.00 0.00 58.31 55.60 2ctf n LYS 45 Cb 0.39 -4.59 -0.03 0.00 -1.84 0.00 0.00 35.03 28.96 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 -0.70 -4.77 0.00 0.72 0.00 -1.09 -5.02 105.19 94.33 2ctf n GLY 46 Ca 0.04 1.20 0.00 0.00 0.00 0.00 0.00 46.02 47.26 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 1.22 1.68 0.08 1.61 10.64 -1.16 -4.50 117.38 126.95 2ctf n GLN 47 Ca -0.26 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 54.69 2ctf n GLN 47 Cb 0.40 -0.77 -0.14 0.00 -0.86 0.00 0.00 30.24 28.87 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 0.00 0.71 0.01 2.61 2.35 -1.72 -3.28 115.58 116.26 2ctf h ASN 48 Ca 0.00 -0.88 -0.15 0.00 -0.55 0.00 0.00 56.30 54.72 2ctf h ASN 48 Cb 0.55 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.70 2ctf h ASN 48 CO 0.00 1.53 -0.60 -0.07 -1.65 0.00 0.00 177.43 176.64 2ctf h LEU 49 N 0.00 0.52 -1.95 1.61 3.38 -1.78 -3.21 115.31 113.87 2ctf h LEU 49 Ca -0.18 -0.77 0.30 0.00 0.09 0.00 0.00 57.88 57.32 2ctf h LEU 49 Cb 1.84 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 42.39 2ctf h LEU 49 CO 0.21 1.22 0.78 0.00 0.09 0.00 0.00 178.44 180.74 2ctf h ALA 50 N 0.30 2.95 0.60 1.53 0.00 -1.79 -1.36 119.26 121.49 2ctf h ALA 50 Ca -0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2ctf h ALA 50 Cb 1.32 0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.19 2ctf h ALA 50 CO 0.12 -1.31 -0.29 -0.22 0.00 0.00 0.00 179.25 177.55 2ctf h LYS 51 N 0.00 -0.78 -0.12 0.00 1.63 -1.61 -1.85 116.57 113.84 2ctf h LYS 51 Ca 0.49 0.05 0.04 0.00 -0.85 0.00 0.00 60.65 60.38 2ctf h LYS 51 Cb 2.05 0.18 -0.07 0.00 -0.60 0.00 0.00 32.23 33.79 2ctf h LYS 51 CO -0.01 -0.52 -0.44 0.82 -3.45 0.00 0.00 179.45 175.85 2ctf h ILE 52 N -1.21 0.12 -0.83 2.00 2.04 -1.36 -0.24 117.51 118.03 2ctf h ILE 52 Ca -0.08 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.94 2ctf h ILE 52 Cb 0.62 0.12 -0.06 0.00 -0.74 0.00 0.00 36.82 36.76 2ctf h ILE 52 CO 0.14 0.00 0.55 0.71 0.00 0.00 0.00 178.15 179.55 2ctf h THR 53 N -0.51 0.78 -0.65 -0.27 1.35 -1.51 0.57 112.91 112.66 2ctf h THR 53 Ca 0.07 -0.17 0.12 0.00 -0.55 0.00 0.00 66.41 65.87 2ctf h THR 53 Cb 0.64 0.23 -0.09 0.00 -1.73 0.00 0.00 68.15 67.20 2ctf h THR 53 CO -0.40 0.09 0.19 -0.61 -0.25 0.00 0.00 175.52 174.55 2ctf h GLN 54 N 0.51 0.33 0.11 4.72 4.15 -0.15 -2.12 115.11 122.65 2ctf h GLN 54 Ca 0.42 -0.02 -0.29 0.00 0.77 0.00 0.00 58.65 59.53 2ctf h GLN 54 Cb 0.87 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.48 2ctf h GLN 54 CO -0.16 0.22 -1.45 0.37 -1.93 0.00 0.00 178.83 175.88 2ctf h GLN 55 N 0.34 0.22 -3.42 1.69 4.15 -1.04 -3.40 115.11 113.66 2ctf h GLN 55 Ca 0.34 -0.38 -0.74 0.00 0.77 0.00 0.00 58.65 58.65 2ctf h GLN 55 Cb 0.50 0.14 -0.33 0.00 0.21 0.00 0.00 27.48 28.00 2ctf h GLN 55 CO -0.39 1.09 0.06 -1.64 -1.93 0.00 0.00 178.83 176.03 2ctf s MET 56 N -2.63 3.53 0.30 1.69 -1.94 0.07 -4.87 119.30 115.45 2ctf s MET 56 Ca -0.07 -3.20 0.09 0.00 -1.71 0.00 0.00 55.69 50.79 2ctf s MET 56 Cb 0.07 -4.14 0.47 0.00 2.01 0.00 0.00 34.83 33.24 2ctf s MET 56 CO 0.85 -1.25 1.69 -1.00 -0.01 0.00 0.00 175.02 175.30 2ctf h PRO 57 N 6.31 0.13 0.00 2.03 0.13 -1.70 -2.80 132.00 136.09 2ctf h PRO 57 Ca 0.16 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2ctf h PRO 57 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2ctf h PRO 57 CO 0.89 0.58 0.00 0.87 -0.23 0.00 0.00 178.00 180.11 2ctf h LYS 58 N 0.11 0.00 -5.87 0.86 1.57 -1.89 -3.43 116.57 107.91 2ctf h LYS 58 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 2ctf h LYS 58 Cb 0.88 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.12 2ctf h LYS 58 CO 0.07 0.00 0.03 0.08 -0.57 0.00 0.00 179.45 179.06 2ctf s VAL 59 N -3.37 5.08 -0.35 0.50 1.01 -1.06 -4.31 120.40 117.91 2ctf s VAL 59 Ca 0.05 1.26 -0.06 0.00 0.00 0.00 0.00 61.98 63.23 2ctf s VAL 59 Cb 0.07 -3.96 0.05 0.00 0.00 0.00 0.00 36.38 32.54 2ctf s VAL 59 CO 0.62 0.24 0.11 -1.00 0.00 0.00 0.00 175.10 175.07 2ctf s HIS 60 N 0.99 3.29 -0.00 5.22 3.76 -0.42 -4.88 115.29 123.24 2ctf s HIS 60 Ca 0.32 -1.56 -0.24 0.00 -0.15 0.00 0.00 55.06 53.43 2ctf s HIS 60 Cb -0.17 -2.38 -0.05 0.00 1.11 0.00 0.00 32.58 31.09 2ctf s HIS 60 CO 0.14 -0.77 0.72 0.42 -0.85 0.00 0.00 174.74 174.41 2ctf s ILE 61 N 1.37 4.87 0.00 0.60 1.01 -1.26 -2.67 121.20 125.11 2ctf s ILE 61 Ca -0.01 1.52 0.03 0.00 0.00 0.00 0.00 60.65 62.19 2ctf s ILE 61 Cb -0.20 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.19 2ctf s ILE 61 CO 0.02 0.33 -0.10 -0.70 0.00 0.00 0.00 174.94 174.49 2ctf s GLU 62 N 0.23 0.74 -0.06 2.79 2.12 -0.57 -5.01 118.70 118.94 2ctf s GLU 62 Ca 0.37 -0.39 0.06 0.00 0.36 0.00 0.00 54.97 55.37 2ctf s GLU 62 Cb -0.19 -0.71 -0.01 0.00 0.26 0.00 0.00 34.13 33.48 2ctf s GLU 62 CO 0.21 0.19 -0.25 -0.06 -0.54 0.00 0.00 175.26 174.81 2ctf s PHE 63 N -0.34 2.43 -0.04 5.30 0.08 -1.26 -1.93 117.98 122.22 2ctf s PHE 63 Ca 0.03 -0.76 0.03 0.00 0.12 0.00 0.00 56.93 56.35 2ctf s PHE 63 Cb -0.04 -1.60 0.00 0.00 -0.57 0.00 0.00 43.02 40.81 2ctf s PHE 63 CO -0.00 -0.24 -0.12 0.99 -0.10 0.00 0.00 175.22 175.75 2ctf s THR 64 N -0.10 1.05 -0.01 0.64 2.01 -1.22 -5.04 115.64 112.96 2ctf s THR 64 Ca -0.05 -0.49 -0.23 0.00 0.31 0.00 0.00 61.69 61.23 2ctf s THR 64 Cb -0.14 -0.93 -0.20 0.00 0.01 0.00 0.00 72.50 71.23 2ctf s THR 64 CO 0.04 0.32 1.15 1.05 -0.69 0.00 0.00 174.62 176.50 2ctf h GLU 65 N 6.50 0.25 0.23 4.92 4.11 -1.98 -2.76 114.58 125.85 2ctf h GLU 65 Ca -0.33 -0.21 -0.01 0.00 0.07 0.00 0.00 59.36 58.89 2ctf h GLU 65 Cb 1.17 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2ctf h GLU 65 CO 0.48 0.86 -0.11 0.78 0.07 0.00 0.00 179.01 181.09 2ctf h GLY 66 N -0.30 -0.32 -0.43 1.06 0.00 -1.98 -3.18 103.07 97.92 2ctf h GLY 66 Ca -0.02 0.12 0.34 0.00 0.00 0.00 0.00 47.33 47.77 2ctf h GLY 66 CO 0.05 -0.11 0.84 0.83 0.00 0.00 0.00 176.54 178.15 2ctf h GLU 67 N -0.43 0.08 -5.78 4.80 5.08 -2.00 -3.45 114.58 112.89 2ctf h GLU 67 Ca -0.03 -0.01 -0.37 0.00 -1.00 0.00 0.00 59.36 57.96 2ctf h GLU 67 Cb 0.23 -0.02 0.14 0.00 0.50 0.00 0.00 28.75 29.61 2ctf h GLU 67 CO 0.05 0.06 -0.74 -0.25 -1.00 0.00 0.00 179.01 177.13 2ctf n ASP 68 N -4.29 -3.67 -3.74 1.42 8.00 -1.04 -5.00 116.55 108.24 2ctf n ASP 68 Ca 0.27 -0.61 -0.09 0.00 0.71 0.00 0.00 54.79 55.06 2ctf n ASP 68 Cb 1.21 -4.98 -0.03 0.00 -0.02 0.00 0.00 41.12 37.30 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 -5.80 1.42 -0.29 -1.24 -2.85 -1.20 -3.86 119.74 105.92 2ctf s LYS 69 Ca 0.24 -0.87 -0.08 0.00 -1.00 0.00 0.00 55.97 54.27 2ctf s LYS 69 Cb -0.11 0.53 -0.00 0.00 -2.06 0.00 0.00 37.83 36.19 2ctf s LYS 69 CO 0.74 -0.61 0.09 0.42 0.10 0.00 0.00 175.35 176.09 2ctf s ILE 70 N -3.88 4.18 -0.05 3.79 1.01 -0.97 -3.45 121.20 121.84 2ctf s ILE 70 Ca 0.09 -0.53 -0.21 0.00 0.00 0.00 0.00 60.65 60.01 2ctf s ILE 70 Cb -0.01 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.30 2ctf s ILE 70 CO -0.02 0.13 0.61 -0.89 0.00 0.00 0.00 174.94 174.77 2ctf s THR 71 N 1.55 5.00 -0.03 2.92 2.01 -0.81 -0.24 115.64 126.04 2ctf s THR 71 Ca 0.04 1.26 0.07 0.00 0.31 0.00 0.00 61.69 63.37 2ctf s THR 71 Cb -0.17 -3.95 -0.02 0.00 0.01 0.00 0.00 72.50 68.38 2ctf s THR 71 CO 0.03 0.35 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.30 2ctf s LEU 72 N 0.28 2.05 -0.11 4.42 2.01 0.14 -1.52 118.68 125.96 2ctf s LEU 72 Ca 0.32 -0.47 -0.00 0.00 0.01 0.00 0.00 54.13 53.99 2ctf s LEU 72 Cb -0.17 -1.31 0.02 0.00 0.01 0.00 0.00 46.19 44.74 2ctf s LEU 72 CO 0.16 0.29 -0.08 -1.61 1.01 0.00 0.00 176.35 176.13 2ctf s GLU 73 N -0.48 1.51 0.00 1.70 2.02 -1.09 -1.80 118.70 120.56 2ctf s GLU 73 Ca 0.06 -0.26 0.00 0.00 0.02 0.00 0.00 54.97 54.80 2ctf s GLU 73 Cb -0.11 -1.55 0.00 0.00 0.10 0.00 0.00 34.13 32.57 2ctf s GLU 73 CO 0.00 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.45 2ctf n GLY 74 N 4.85 -2.11 3.72 -1.39 0.00 0.06 -1.30 105.19 109.04 2ctf n GLY 74 Ca -0.13 -1.26 -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 -1.96 4.36 0.58 1.61 0.04 -1.26 0.48 135.00 138.85 2ctf s PRO 75 Ca 0.00 2.04 0.38 0.00 0.04 0.00 0.00 61.00 63.46 2ctf s PRO 75 Cb 0.00 -3.23 1.30 0.00 0.04 0.00 0.00 34.50 32.61 2ctf s PRO 75 CO 0.00 -0.34 1.42 -2.37 0.04 0.00 0.00 177.00 175.76 2ctf n THR 76 N 3.36 0.00 0.17 1.26 5.66 -1.26 0.40 114.28 123.86 2ctf n THR 76 Ca 0.09 1.37 -0.13 0.00 -3.05 0.00 0.00 64.05 62.33 2ctf n THR 76 Cb 0.43 -2.37 -0.07 0.00 -1.55 0.00 0.00 70.33 66.76 2ctf n THR 76 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2ctf h GLU 77 N 0.00 -0.44 -0.12 1.09 4.81 -1.98 -2.34 114.58 115.60 2ctf h GLU 77 Ca 0.71 0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.83 2ctf h GLU 77 Cb 3.35 0.10 0.00 0.00 0.63 0.00 0.00 28.75 32.84 2ctf h GLU 77 CO -0.01 -0.12 -0.45 -0.44 -0.73 0.00 0.00 179.01 177.27 2ctf h ASP 78 N -0.87 0.60 -0.73 1.04 3.32 -0.42 -3.19 116.42 116.15 2ctf h ASP 78 Ca -0.05 -0.62 0.14 0.00 0.02 0.00 0.00 57.03 56.52 2ctf h ASP 78 Cb 0.53 -0.18 -0.09 0.00 0.22 0.00 0.00 39.33 39.81 2ctf h ASP 78 CO 0.08 1.12 0.29 0.58 -1.72 0.00 0.00 179.24 179.58 2ctf h VAL 79 N 0.12 0.67 -0.62 -1.35 2.07 -0.65 0.11 116.25 116.60 2ctf h VAL 79 Ca -0.02 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2ctf h VAL 79 Cb 1.08 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2ctf h VAL 79 CO 0.09 0.08 0.38 -1.28 0.02 0.00 0.00 177.57 176.87 2ctf h SER 80 N 0.44 0.72 0.18 0.57 0.87 -1.45 0.19 113.55 115.08 2ctf h SER 80 Ca 0.40 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.92 2ctf h SER 80 Cb 0.59 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2ctf h SER 80 CO -0.39 0.54 -0.09 0.58 -0.53 0.00 0.00 176.83 176.94 2ctf h VAL 81 N 0.84 0.79 0.08 2.23 2.07 -0.89 -2.39 116.25 118.98 2ctf h VAL 81 Ca 0.22 -1.06 0.01 0.00 0.82 0.00 0.00 66.70 66.69 2ctf h VAL 81 Cb -0.06 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2ctf h VAL 81 CO -0.04 0.20 -0.10 0.00 0.02 0.00 0.00 177.57 177.64 2ctf h ALA 82 N -0.34 -0.18 -0.70 1.67 0.00 -0.79 -0.48 119.26 118.43 2ctf h ALA 82 Ca -0.03 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.96 2ctf h ALA 82 Cb 0.52 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 2ctf h ALA 82 CO 0.04 -0.62 0.33 -0.56 0.00 0.00 0.00 179.25 178.44 2ctf h GLN 83 N -0.22 0.55 -0.43 0.00 3.07 -0.73 -1.31 115.11 116.04 2ctf h GLN 83 Ca 0.01 -0.03 -0.02 0.00 0.09 0.00 0.00 58.65 58.69 2ctf h GLN 83 Cb 0.22 -0.12 -0.02 0.00 0.08 0.00 0.00 27.48 27.64 2ctf h GLN 83 CO -0.04 0.36 0.18 1.49 0.09 0.00 0.00 178.83 180.91 2ctf h GLU 84 N 0.57 0.64 -0.92 0.06 4.81 -1.07 -0.82 114.58 117.86 2ctf h GLU 84 Ca 0.35 -0.11 0.05 0.00 -0.13 0.00 0.00 59.36 59.52 2ctf h GLU 84 Cb 0.38 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.60 2ctf h GLU 84 CO -0.28 0.59 0.60 1.96 -0.73 0.00 0.00 179.01 181.15 2ctf h GLN 85 N 0.55 1.06 -0.21 1.92 4.20 -0.24 -2.12 115.11 120.27 2ctf h GLN 85 Ca 0.14 -0.06 -0.18 0.00 0.06 0.00 0.00 58.65 58.61 2ctf h GLN 85 Cb 0.18 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.72 2ctf h GLN 85 CO -0.01 0.70 -0.56 0.82 -0.67 0.00 0.00 178.83 179.11 2ctf h ILE 86 N 1.09 1.30 -0.49 2.54 2.04 -0.95 -3.10 117.51 119.93 2ctf h ILE 86 Ca 0.38 -1.77 0.08 0.00 1.00 0.00 0.00 64.86 64.55 2ctf h ILE 86 Cb 0.12 1.84 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 2ctf h ILE 86 CO -0.13 0.56 0.33 -0.33 0.00 0.00 0.00 178.15 178.58 2ctf h GLU 87 N 0.48 0.33 -0.30 2.37 5.08 -0.56 0.21 114.58 122.19 2ctf h GLU 87 Ca -0.01 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 2ctf h GLU 87 Cb 1.18 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2ctf h GLU 87 CO 0.12 0.22 -0.08 0.78 -1.00 0.00 0.00 179.01 179.05 2ctf h GLY 88 N 0.34 0.64 2.00 -3.84 0.00 -1.33 -2.07 103.07 98.81 2ctf h GLY 88 Ca 0.22 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 2ctf h GLY 88 CO -0.05 0.49 -0.34 0.00 0.00 0.00 0.00 176.54 176.63 2ctf h MET 89 N 0.35 0.00 -0.02 4.80 -0.00 -1.37 -2.65 114.93 116.04 2ctf h MET 89 Ca 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.76 2ctf h MET 89 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.17 2ctf h MET 89 CO 0.03 0.34 -0.03 0.28 -0.00 0.00 0.00 176.91 177.53 2ctf h VAL 90 N 0.00 1.44 -0.34 -0.10 2.07 -0.85 -2.51 116.25 115.96 2ctf h VAL 90 Ca -0.00 -1.34 -0.04 0.00 0.82 0.00 0.00 66.70 66.14 2ctf h VAL 90 Cb 1.00 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 2ctf h VAL 90 CO 0.04 0.35 0.06 0.50 0.02 0.00 0.00 177.57 178.55 2ctf h LYS 91 N -0.49 0.55 -0.98 1.57 1.63 -1.42 -2.51 116.57 114.92 2ctf h LYS 91 Ca 0.00 -0.14 0.08 0.00 -0.85 0.00 0.00 60.65 59.74 2ctf h LYS 91 Cb 0.59 -0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 32.09 2ctf h LYS 91 CO 0.01 0.63 0.63 0.22 -3.45 0.00 0.00 179.45 177.48 2ctf h ASP 92 N 0.39 0.97 0.24 4.20 1.82 -1.55 0.16 116.42 122.65 2ctf h ASP 92 Ca 0.10 0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.75 2ctf h ASP 92 Cb 0.34 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.16 2ctf h ASP 92 CO 0.01 0.60 -0.12 -0.07 -1.61 0.00 0.00 179.24 178.05 2ctf h LEU 93 N 1.09 -0.27 -0.21 2.28 3.38 -1.23 0.39 115.31 120.74 2ctf h LEU 93 Ca 0.44 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 2ctf h LEU 93 Cb 0.26 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2ctf h LEU 93 CO -0.19 -0.04 0.12 0.40 0.09 0.00 0.00 178.44 178.83 2ctf h ILE 94 N -0.51 1.09 -0.45 1.22 2.04 -1.06 -2.69 117.51 117.16 2ctf h ILE 94 Ca -0.03 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.62 2ctf h ILE 94 Cb 0.38 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 2ctf h ILE 94 CO 0.05 0.09 0.26 0.78 0.00 0.00 0.00 178.15 179.33 2ctf h ASN 95 N 0.24 0.42 -0.31 1.72 2.35 -0.68 -2.82 115.58 116.50 2ctf h ASN 95 Ca 0.07 0.01 0.07 0.00 -0.55 0.00 0.00 56.30 55.90 2ctf h ASN 95 Cb 0.03 -0.08 -0.08 0.00 0.05 0.00 0.00 38.32 38.25 2ctf h ASN 95 CO -0.01 0.30 -0.24 0.03 -1.65 0.00 0.00 177.43 175.86 2ctf h ARG 96 N 0.52 -0.20 -5.51 0.81 2.47 -0.70 -3.26 114.38 108.51 2ctf h ARG 96 Ca 0.18 0.01 -0.67 0.00 -1.26 0.00 0.00 59.98 58.25 2ctf h ARG 96 Cb 0.03 0.05 -0.13 0.00 -1.65 0.00 0.00 29.97 28.26 2ctf h ARG 96 CO -0.09 -0.13 1.44 0.45 0.56 0.00 0.00 179.97 182.20 2ctf s SER 97 N -5.07 6.71 -0.45 7.04 0.15 -1.03 -4.82 113.70 116.23 2ctf s SER 97 Ca -0.15 -2.11 0.06 0.00 0.70 0.00 0.00 55.95 54.46 2ctf s SER 97 Cb 0.13 -2.49 0.18 0.00 -1.71 0.00 0.00 66.02 62.12 2ctf s SER 97 CO 0.69 -1.18 0.59 -0.83 1.20 0.00 0.00 173.24 173.71 2ctf s GLY 98 N 4.06 -0.70 0.38 9.45 0.00 -1.23 -4.90 107.32 114.38 2ctf s GLY 98 Ca 0.43 -0.66 0.17 0.00 0.00 0.00 0.00 44.72 44.67 2ctf s GLY 98 CO -0.04 3.28 1.80 -0.56 0.00 0.00 0.00 173.10 177.58 2ctf h PRO 99 N 5.93 0.00 -7.05 2.90 0.13 -1.92 -3.45 132.00 128.54 2ctf h PRO 99 Ca 0.09 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.69 2ctf h PRO 99 Cb 1.09 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.31 2ctf h PRO 99 CO 0.12 0.36 0.51 0.45 -0.23 0.00 0.00 178.00 179.21 2ctf s SER 100 N -6.59 5.65 0.54 1.44 0.15 -1.26 -5.01 113.70 108.62 2ctf s SER 100 Ca -0.01 2.43 -0.12 0.00 0.70 0.00 0.00 55.95 58.95 2ctf s SER 100 Cb 0.12 -2.61 -0.05 0.00 -1.71 0.00 0.00 66.02 61.77 2ctf s SER 100 CO 0.69 -1.28 0.95 -0.44 1.20 0.00 0.00 173.24 174.36 2ctf s SER 101 N -1.36 6.40 0.00 5.45 0.01 -1.26 -5.22 113.70 117.72 2ctf s SER 101 Ca 0.70 1.36 0.00 0.00 1.31 0.00 0.00 55.95 59.32 2ctf s SER 101 Cb -0.32 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2ctf s SER 101 CO 0.37 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 173.95