#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fnt s GLN 2 N 0.00 3.41 -0.20 0.54 0.74 -1.26 -5.11 119.66 117.78 2fnt s GLN 2 Ca 0.00 -0.64 -0.01 0.00 0.05 0.00 0.00 55.36 54.76 2fnt s GLN 2 Cb 0.00 -2.83 0.01 0.00 1.10 0.00 0.00 33.01 31.28 2fnt s GLN 2 CO 0.00 0.02 -0.13 0.42 -0.55 0.00 0.00 175.29 175.06 2fnt s ILE 3 N 0.88 2.67 0.77 -2.34 1.01 -1.26 -5.11 121.20 117.81 2fnt s ILE 3 Ca -0.02 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 59.83 2fnt s ILE 3 Cb -0.15 -2.17 0.11 0.00 0.01 0.00 0.00 42.46 40.26 2fnt s ILE 3 CO 0.01 0.49 1.07 0.42 0.00 0.00 0.00 174.94 176.93 2fnt s THR 4 N 1.37 2.18 -0.07 2.92 -4.23 -1.26 -5.04 115.64 111.51 2fnt s THR 4 Ca 0.05 -0.31 0.10 0.00 -1.18 0.00 0.00 61.69 60.35 2fnt s THR 4 Cb -0.14 -2.87 0.15 0.00 1.34 0.00 0.00 72.50 70.98 2fnt s THR 4 CO -0.08 0.00 1.07 0.18 -0.54 0.00 0.00 174.62 175.25 2fnt n LEU 5 N -3.08 2.15 0.19 4.79 4.77 -1.26 -4.53 117.00 120.02 2fnt n LEU 5 Ca 0.12 -2.54 0.04 0.00 -0.03 0.00 0.00 56.01 53.60 2fnt n LEU 5 Cb 0.60 -0.22 0.46 0.00 -2.33 0.00 0.00 43.42 41.93 2fnt n LEU 5 CO 0.48 0.60 0.88 -0.50 -1.33 0.00 0.00 177.39 177.52 2fnt h TRP 6 N 0.00 0.07 -2.16 -1.77 4.06 -2.06 -3.43 115.95 110.66 2fnt h TRP 6 Ca 0.00 -0.01 -0.61 0.00 2.06 0.00 0.00 58.89 60.34 2fnt h TRP 6 Cb 0.77 -0.02 -0.13 0.00 -1.00 0.00 0.00 29.16 28.78 2fnt h TRP 6 CO 0.00 0.25 -0.73 0.15 -3.56 0.00 0.00 178.44 174.55 2fnt s LYS 7 N -4.63 1.76 0.24 0.49 1.02 -1.26 -5.10 119.74 112.26 2fnt s LYS 7 Ca -0.04 -1.76 -0.31 0.00 0.02 0.00 0.00 55.97 53.87 2fnt s LYS 7 Cb 0.16 -1.80 -0.14 0.00 -0.52 0.00 0.00 37.83 35.53 2fnt s LYS 7 CO 0.71 0.30 1.37 0.54 -0.92 0.00 0.00 175.35 177.35 2fnt n ARG 8 N -0.68 1.94 -2.12 1.68 1.74 -1.26 -4.84 116.66 113.12 2fnt n ARG 8 Ca -0.05 0.69 -0.42 0.00 -0.77 0.00 0.00 57.85 57.30 2fnt n ARG 8 Cb 0.60 -2.32 0.00 0.00 -1.02 0.00 0.00 32.46 29.72 2fnt n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2fnt n PRO 9 N 1.87 3.02 -3.50 5.56 -0.04 -1.26 -4.93 135.00 135.72 2fnt n PRO 9 Ca 0.11 -2.93 -0.37 0.00 -0.04 0.00 0.00 63.50 60.28 2fnt n PRO 9 Cb 0.31 -3.37 -0.06 0.00 -0.04 0.00 0.00 33.50 30.33 2fnt n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2fnt s LEU 10 N 3.03 4.32 0.20 1.53 1.43 -1.26 -1.12 118.68 126.81 2fnt s LEU 10 Ca 0.50 0.68 0.02 0.00 -1.03 0.00 0.00 54.13 54.29 2fnt s LEU 10 Cb 0.09 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 2fnt s LEU 10 CO -0.01 0.15 0.03 0.68 0.23 0.00 0.00 176.35 177.43 2fnt s VAL 11 N 0.02 0.65 -0.05 -1.59 -7.23 0.07 -4.94 120.40 107.33 2fnt s VAL 11 Ca 0.20 -1.99 -0.20 0.00 -1.81 0.00 0.00 61.98 58.18 2fnt s VAL 11 Cb -0.14 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 2fnt s VAL 11 CO 0.07 -0.32 0.57 -0.89 -0.31 0.00 0.00 175.10 174.23 2fnt s THR 12 N -3.68 5.02 0.28 5.32 2.01 -1.26 -0.66 115.64 122.66 2fnt s THR 12 Ca 0.29 1.18 0.11 0.00 0.31 0.00 0.00 61.69 63.57 2fnt s THR 12 Cb 0.07 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 2fnt s THR 12 CO 0.07 0.37 -0.09 0.27 -0.69 0.00 0.00 174.62 174.55 2fnt s ILE 13 N 0.17 2.94 -0.11 1.82 -4.36 0.49 -2.66 121.20 119.49 2fnt s ILE 13 Ca 0.30 -2.14 0.03 0.00 -0.26 0.00 0.00 60.65 58.58 2fnt s ILE 13 Cb -0.17 -2.60 0.01 0.00 1.25 0.00 0.00 42.46 40.94 2fnt s ILE 13 CO 0.15 -0.37 -0.19 -0.60 0.24 0.00 0.00 174.94 174.17 2fnt s ARG 14 N -3.61 2.63 -0.09 0.37 3.52 0.09 -1.37 118.95 120.49 2fnt s ARG 14 Ca 0.31 -0.72 -0.04 0.00 -0.13 0.00 0.00 55.73 55.15 2fnt s ARG 14 Cb -0.05 -2.10 0.05 0.00 -1.56 0.00 0.00 34.95 31.28 2fnt s ARG 14 CO 0.18 0.04 0.20 -1.50 -0.81 0.00 0.00 175.30 173.41 2fnt s ILE 15 N 0.68 -0.12 -1.33 4.11 2.07 -0.52 -1.16 121.20 124.93 2fnt s ILE 15 Ca -0.12 0.20 -0.02 0.00 -1.41 0.00 0.00 60.65 59.31 2fnt s ILE 15 Cb -0.16 -0.33 0.01 0.00 0.13 0.00 0.00 42.46 42.10 2fnt s ILE 15 CO 0.03 0.08 0.12 0.61 -1.91 0.00 0.00 174.94 173.87 2fnt n GLY 16 N 4.52 -0.50 2.41 1.50 0.00 -1.26 -0.82 105.19 111.05 2fnt n GLY 16 Ca -0.20 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2fnt n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fnt n GLY 17 N -0.98 0.65 3.50 -0.02 0.00 -1.26 -5.03 105.19 102.05 2fnt n GLY 17 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 2fnt n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2fnt s GLN 18 N -0.08 3.32 0.01 1.61 -1.52 0.00 -5.10 119.66 117.91 2fnt s GLN 18 Ca 0.00 -0.56 -0.21 0.00 -1.95 0.00 0.00 55.36 52.64 2fnt s GLN 18 Cb 0.00 -2.76 -0.05 0.00 -0.22 0.00 0.00 33.01 29.98 2fnt s GLN 18 CO 0.00 0.37 0.62 -0.51 -0.25 0.00 0.00 175.29 175.52 2fnt s LEU 19 N -0.02 4.43 0.05 2.90 1.43 -1.26 -1.44 118.68 124.77 2fnt s LEU 19 Ca -0.00 1.21 -0.02 0.00 -1.03 0.00 0.00 54.13 54.29 2fnt s LEU 19 Cb -0.13 -2.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.08 2fnt s LEU 19 CO 0.03 0.10 -0.00 -0.54 0.23 0.00 0.00 176.35 176.16 2fnt s LYS 20 N -0.22 0.57 -0.16 1.70 1.02 -0.47 -4.99 119.74 117.19 2fnt s LYS 20 Ca 0.32 -1.06 -0.15 0.00 0.02 0.00 0.00 55.97 55.11 2fnt s LYS 20 Cb -0.19 0.20 -0.04 0.00 -0.52 0.00 0.00 37.83 37.28 2fnt s LYS 20 CO 0.18 -0.11 0.34 -2.00 -0.92 0.00 0.00 175.35 172.84 2fnt s GLU 21 N -3.38 4.26 0.05 1.68 2.12 -1.26 -0.38 118.70 121.79 2fnt s GLU 21 Ca 0.02 0.17 0.01 0.00 0.36 0.00 0.00 54.97 55.53 2fnt s GLU 21 Cb 0.04 -3.45 -0.03 0.00 0.26 0.00 0.00 34.13 30.95 2fnt s GLU 21 CO -0.08 0.17 -0.06 0.00 -0.54 0.00 0.00 175.26 174.75 2fnt s ALA 22 N 0.65 0.53 -0.21 6.30 0.00 0.16 -4.45 121.76 124.75 2fnt s ALA 22 Ca 0.18 -0.89 -0.14 0.00 0.00 0.00 0.00 51.96 51.11 2fnt s ALA 22 Cb -0.14 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 2fnt s ALA 22 CO 0.06 -0.14 0.33 -1.17 0.00 0.00 0.00 175.76 174.83 2fnt s LEU 23 N -2.01 4.15 -0.38 0.00 2.96 0.22 -0.75 118.68 122.86 2fnt s LEU 23 Ca -0.05 0.40 -0.29 0.00 -0.22 0.00 0.00 54.13 53.97 2fnt s LEU 23 Cb -0.05 -2.39 0.01 0.00 0.50 0.00 0.00 46.19 44.27 2fnt s LEU 23 CO -0.02 -0.03 1.26 -0.76 -1.32 0.00 0.00 176.35 175.48 2fnt s LEU 24 N 1.20 3.74 -0.38 -0.68 1.43 -0.27 -0.85 118.68 122.86 2fnt s LEU 24 Ca 0.16 0.89 0.03 0.00 -1.03 0.00 0.00 54.13 54.17 2fnt s LEU 24 Cb -0.14 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.65 2fnt s LEU 24 CO 0.07 -1.20 0.13 0.21 0.23 0.00 0.00 176.35 175.78 2fnt s ASN 25 N 2.89 4.35 0.10 2.29 3.84 -0.09 -4.80 114.94 123.53 2fnt s ASN 25 Ca 0.54 -2.28 0.19 0.00 0.21 0.00 0.00 52.86 51.52 2fnt s ASN 25 Cb -0.13 -1.37 0.79 0.00 -0.55 0.00 0.00 41.25 39.99 2fnt s ASN 25 CO 0.27 -0.34 1.59 0.35 -2.79 0.00 0.00 177.10 176.18 2fnt n THR 26 N 4.05 0.87 0.93 -5.21 -2.24 -1.26 -2.29 114.28 109.14 2fnt n THR 26 Ca 0.03 0.21 0.10 0.00 -2.27 0.00 0.00 64.05 62.12 2fnt n THR 26 Cb 0.39 -1.02 0.30 0.00 -2.10 0.00 0.00 70.33 67.90 2fnt n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fnt n GLY 27 N 0.12 0.69 3.33 3.38 0.00 -1.26 -4.82 105.19 106.63 2fnt n GLY 27 Ca 0.03 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 2fnt n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fnt s ALA 28 N -1.65 2.62 0.20 4.61 0.00 -0.97 -5.00 121.76 121.58 2fnt s ALA 28 Ca 0.32 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 51.23 2fnt s ALA 28 Cb 0.17 -1.31 0.13 0.00 0.00 0.00 0.00 23.12 22.12 2fnt s ALA 28 CO 0.25 0.04 1.63 -0.44 0.00 0.00 0.00 175.76 177.24 2fnt h ASP 29 N 7.14 0.91 -2.38 0.00 3.32 -1.87 0.51 116.42 124.04 2fnt h ASP 29 Ca -0.31 -0.30 -0.56 0.00 0.02 0.00 0.00 57.03 55.87 2fnt h ASP 29 Cb 1.19 -0.25 -0.14 0.00 0.22 0.00 0.00 39.33 40.36 2fnt h ASP 29 CO 0.57 1.05 -0.67 -1.81 -1.72 0.00 0.00 179.24 176.66 2fnt s ASP 30 N -6.69 3.29 -0.21 6.45 1.01 -1.26 -2.42 116.67 116.84 2fnt s ASP 30 Ca -0.10 -1.20 -0.11 0.00 0.71 0.00 0.00 52.55 51.84 2fnt s ASP 30 Cb 0.13 -0.27 -0.05 0.00 1.01 0.00 0.00 42.92 43.75 2fnt s ASP 30 CO 0.85 -0.28 0.18 -0.89 0.21 0.00 0.00 175.17 175.24 2fnt s THR 31 N -2.80 5.36 -0.11 -1.27 2.01 -1.26 -3.40 115.64 114.17 2fnt s THR 31 Ca 0.31 0.27 -0.01 0.00 0.31 0.00 0.00 61.69 62.57 2fnt s THR 31 Cb 0.03 -3.52 0.02 0.00 0.01 0.00 0.00 72.50 69.05 2fnt s THR 31 CO 0.15 0.38 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.70 2fnt s VAL 32 N 0.74 0.97 0.17 3.82 1.01 -0.47 -0.98 120.40 125.66 2fnt s VAL 32 Ca 0.10 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 61.88 2fnt s VAL 32 Cb -0.13 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 2fnt s VAL 32 CO 0.02 0.36 0.08 -0.76 0.00 0.00 0.00 175.10 174.80 2fnt s LEU 33 N 1.73 3.60 0.71 3.92 1.43 0.48 -0.67 118.68 129.87 2fnt s LEU 33 Ca 0.05 -0.25 -0.16 0.00 -1.03 0.00 0.00 54.13 52.74 2fnt s LEU 33 Cb -0.13 -2.22 0.02 0.00 0.03 0.00 0.00 46.19 43.90 2fnt s LEU 33 CO -0.08 0.07 1.19 -0.62 0.23 0.00 0.00 176.35 177.14 2fnt n GLU 34 N -0.29 0.71 -1.62 1.70 1.02 -1.26 -1.54 120.64 119.36 2fnt n GLU 34 Ca -0.09 0.31 -0.60 0.00 -0.02 0.00 0.00 57.16 56.75 2fnt n GLU 34 Cb 0.55 -2.43 -0.08 0.00 -0.02 0.00 0.00 31.44 29.46 2fnt n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2fnt n GLU 35 N -2.26 0.35 -3.92 3.49 4.71 -1.24 -4.63 120.64 117.14 2fnt n GLU 35 Ca 0.15 0.13 -0.09 0.00 -0.01 0.00 0.00 57.16 57.33 2fnt n GLU 35 Cb 0.49 -1.67 -0.02 0.00 -1.01 0.00 0.00 31.44 29.22 2fnt n GLU 35 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2fnt s MET 36 N 1.44 1.81 -0.15 3.49 0.23 -1.26 -5.04 119.30 119.82 2fnt s MET 36 Ca 0.95 -1.23 -0.06 0.00 -1.03 0.00 0.00 55.69 54.32 2fnt s MET 36 Cb -1.26 0.55 -0.04 0.00 -1.53 0.00 0.00 34.83 32.56 2fnt s MET 36 CO 0.64 -0.80 0.05 -0.80 -2.03 0.00 0.00 175.02 172.07 2fnt s ASN 37 N -3.01 5.56 0.13 -1.18 0.01 -1.26 -5.05 114.94 110.14 2fnt s ASN 37 Ca 0.17 0.12 0.05 0.00 -0.71 0.00 0.00 52.86 52.50 2fnt s ASN 37 Cb -0.04 -1.86 -0.04 0.00 0.41 0.00 0.00 41.25 39.73 2fnt s ASN 37 CO 0.10 0.25 -0.12 -0.76 -1.51 0.00 0.00 177.10 175.05 2fnt s LEU 38 N -0.07 2.45 0.00 0.60 1.43 -1.26 -5.08 118.68 116.75 2fnt s LEU 38 Ca 0.06 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.28 2fnt s LEU 38 Cb -0.12 -0.45 0.00 0.00 0.03 0.00 0.00 46.19 45.65 2fnt s LEU 38 CO 0.01 -0.22 0.00 -2.65 0.23 0.00 0.00 176.35 173.72 2fnt n PRO 39 N 0.27 0.00 -0.26 1.29 -0.02 -1.26 -4.95 135.00 130.07 2fnt n PRO 39 Ca -0.14 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.25 2fnt n PRO 39 Cb 0.58 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 34.07 2fnt n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fnt n GLY 40 N 0.00 -1.10 3.43 -1.23 0.00 -1.26 -4.77 105.19 100.27 2fnt n GLY 40 Ca 0.00 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 2fnt n GLY 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2fnt n LYS 41 N 0.64 0.24 -4.14 1.61 4.76 -1.26 -5.00 118.16 115.01 2fnt n LYS 41 Ca -0.01 0.12 -0.13 0.00 -2.87 0.00 0.00 58.31 55.42 2fnt n LYS 41 Cb 0.16 -1.76 -0.11 0.00 -1.84 0.00 0.00 35.03 31.48 2fnt n LYS 41 CO 0.00 0.00 0.00 1.67 -1.37 0.00 0.00 177.40 177.70 2fnt s TRP 42 N -1.95 0.91 -0.13 2.13 1.48 -1.26 -4.59 118.94 115.53 2fnt s TRP 42 Ca 0.64 -0.65 -0.03 0.00 -1.06 0.00 0.00 56.10 55.00 2fnt s TRP 42 Cb -0.34 -0.52 -0.03 0.00 -1.16 0.00 0.00 33.47 31.42 2fnt s TRP 42 CO 0.60 -0.06 -0.03 -1.59 -4.06 0.00 0.00 176.95 171.81 2fnt s LYS 43 N -2.54 3.45 0.30 3.25 0.00 -0.53 -4.90 119.74 118.77 2fnt s LYS 43 Ca 0.01 -0.50 -0.30 0.00 0.00 0.00 0.00 55.97 55.18 2fnt s LYS 43 Cb -0.04 -2.86 -0.11 0.00 0.00 0.00 0.00 37.83 34.82 2fnt s LYS 43 CO -0.01 0.37 1.58 -2.14 0.00 0.00 0.00 175.35 175.16 2fnt s PRO 44 N 0.01 4.13 0.06 1.78 0.02 -1.26 -0.76 135.00 138.97 2fnt s PRO 44 Ca 0.01 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.60 2fnt s PRO 44 Cb -0.13 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.33 2fnt s PRO 44 CO 0.03 -0.62 -0.04 0.15 -0.33 0.00 0.00 177.00 176.18 2fnt s LYS 45 N -0.59 0.63 -0.09 5.54 1.02 -0.46 -4.87 119.74 120.91 2fnt s LYS 45 Ca 0.63 -1.14 0.03 0.00 0.02 0.00 0.00 55.97 55.51 2fnt s LYS 45 Cb -0.48 0.03 -0.01 0.00 -0.52 0.00 0.00 37.83 36.86 2fnt s LYS 45 CO 0.49 -0.06 -0.21 -1.64 -0.92 0.00 0.00 175.35 173.01 2fnt s MET 46 N -3.39 2.97 0.02 1.68 -1.94 -1.26 -0.96 119.30 116.42 2fnt s MET 46 Ca 0.04 -0.82 0.08 0.00 -1.71 0.00 0.00 55.69 53.28 2fnt s MET 46 Cb 0.03 -2.36 -0.03 0.00 2.01 0.00 0.00 34.83 34.49 2fnt s MET 46 CO -0.06 0.27 -0.24 0.96 -0.01 0.00 0.00 175.02 175.93 2fnt s ILE 47 N 0.13 2.26 -0.12 2.53 -4.36 -0.29 -4.92 121.20 116.43 2fnt s ILE 47 Ca -0.11 -1.25 -0.29 0.00 -0.26 0.00 0.00 60.65 58.74 2fnt s ILE 47 Cb -0.16 -1.86 -0.05 0.00 1.25 0.00 0.00 42.46 41.64 2fnt s ILE 47 CO 0.06 0.43 1.68 -0.83 0.24 0.00 0.00 174.94 176.53 2fnt s GLY 48 N -1.07 1.37 0.54 6.27 0.00 -1.26 -0.27 107.32 112.89 2fnt s GLY 48 Ca 0.12 0.78 0.04 0.00 0.00 0.00 0.00 44.72 45.66 2fnt s GLY 48 CO 0.02 3.08 0.28 -0.32 0.00 0.00 0.00 173.10 176.16 2fnt s GLY 49 N 3.95 2.59 0.06 0.20 0.00 0.76 -4.90 107.32 109.98 2fnt s GLY 49 Ca 0.75 -0.93 -0.31 0.00 0.00 0.00 0.00 44.72 44.23 2fnt s GLY 49 CO 0.30 -2.03 1.58 -0.42 0.00 0.00 0.00 173.10 172.54 2fnt s ILE 50 N -2.81 3.16 0.00 0.90 -1.09 -1.26 -2.55 121.20 117.55 2fnt s ILE 50 Ca 0.24 0.63 0.00 0.00 -2.23 0.00 0.00 60.65 59.29 2fnt s ILE 50 Cb -0.01 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 2fnt s ILE 50 CO 0.15 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.47 2fnt n GLY 51 N 3.88 1.47 0.00 6.18 0.00 -1.26 -4.89 105.19 110.57 2fnt n GLY 51 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2fnt n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fnt n GLY 52 N -2.00 0.62 3.79 -0.02 0.00 -1.06 -5.11 105.19 101.42 2fnt n GLY 52 Ca 0.00 -1.79 -0.37 0.00 0.00 0.00 0.00 46.02 43.86 2fnt n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fnt s PHE 53 N -2.27 3.71 0.04 1.61 0.40 -1.26 -0.17 117.98 120.03 2fnt s PHE 53 Ca 0.00 1.59 0.07 0.00 -0.60 0.00 0.00 56.93 57.99 2fnt s PHE 53 Cb 0.00 -2.77 -0.03 0.00 0.51 0.00 0.00 43.02 40.73 2fnt s PHE 53 CO 0.00 0.32 -0.18 0.96 0.70 0.00 0.00 175.22 177.02 2fnt s ILE 54 N -1.50 2.81 -0.04 0.64 -4.36 0.62 -4.83 121.20 114.55 2fnt s ILE 54 Ca 0.45 -1.15 -0.26 0.00 -0.26 0.00 0.00 60.65 59.42 2fnt s ILE 54 Cb -0.19 -2.18 -0.03 0.00 1.25 0.00 0.00 42.46 41.31 2fnt s ILE 54 CO 0.23 0.35 0.81 -0.54 0.24 0.00 0.00 174.94 176.03 2fnt s LYS 55 N -1.39 4.49 0.20 0.37 1.02 -1.26 -1.14 119.74 122.02 2fnt s LYS 55 Ca 0.14 1.09 0.02 0.00 0.02 0.00 0.00 55.97 57.24 2fnt s LYS 55 Cb -0.10 -3.45 -0.05 0.00 -0.52 0.00 0.00 37.83 33.71 2fnt s LYS 55 CO 0.05 0.03 0.01 0.14 -0.92 0.00 0.00 175.35 174.66 2fnt s VAL 56 N 0.85 0.78 -0.17 3.17 -7.23 -0.14 -4.50 120.40 113.17 2fnt s VAL 56 Ca 0.43 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.53 2fnt s VAL 56 Cb -0.19 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 2fnt s VAL 56 CO 0.22 -0.37 0.05 -0.13 -0.31 0.00 0.00 175.10 174.56 2fnt s ARG 57 N -3.91 3.83 -0.26 4.82 0.52 -0.04 -1.36 118.95 122.55 2fnt s ARG 57 Ca 0.27 -0.35 -0.09 0.00 -0.52 0.00 0.00 55.73 55.04 2fnt s ARG 57 Cb 0.06 -3.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.34 2fnt s ARG 57 CO 0.07 0.35 0.13 -1.14 0.02 0.00 0.00 175.30 174.73 2fnt s GLN 58 N 0.15 3.85 -0.18 3.54 0.74 0.06 -0.75 119.66 127.06 2fnt s GLN 58 Ca 0.04 -0.38 -0.02 0.00 0.05 0.00 0.00 55.36 55.06 2fnt s GLN 58 Cb -0.12 -3.49 -0.00 0.00 1.10 0.00 0.00 33.01 30.50 2fnt s GLN 58 CO 0.01 -0.13 -0.10 0.71 -0.55 0.00 0.00 175.29 175.22 2fnt s TYR 59 N 1.55 2.87 0.19 1.67 1.51 -0.04 -1.45 117.35 123.65 2fnt s TYR 59 Ca 0.06 -0.98 -0.00 0.00 -1.01 0.00 0.00 57.07 55.14 2fnt s TYR 59 Cb -0.15 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.68 2fnt s TYR 59 CO 0.07 -0.49 0.38 -0.51 -1.11 0.00 0.00 175.55 173.89 2fnt s ASP 60 N 1.05 6.38 -1.42 2.29 1.01 -1.26 -0.74 116.67 123.99 2fnt s ASP 60 Ca -0.00 0.38 -0.07 0.00 0.71 0.00 0.00 52.55 53.56 2fnt s ASP 60 Cb -0.15 -2.00 0.04 0.00 1.01 0.00 0.00 42.92 41.83 2fnt s ASP 60 CO -0.02 -0.03 0.85 0.00 0.21 0.00 0.00 175.17 176.19 2fnt n GLN 61 N -0.62 -5.33 -3.33 8.23 3.00 -1.13 -4.86 117.38 113.35 2fnt n GLN 61 Ca -0.05 0.62 -0.38 0.00 -0.01 0.00 0.00 57.00 57.18 2fnt n GLN 61 Cb 0.54 -5.35 -0.07 0.00 0.00 0.00 0.00 30.24 25.36 2fnt n GLN 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2fnt s ILE 62 N -3.49 5.17 0.20 5.09 -1.09 -0.03 -4.66 121.20 122.40 2fnt s ILE 62 Ca 0.34 0.86 -0.30 0.00 -2.23 0.00 0.00 60.65 59.32 2fnt s ILE 62 Cb -0.17 -3.79 -0.09 0.00 -1.58 0.00 0.00 42.46 36.84 2fnt s ILE 62 CO 0.82 0.26 1.28 -2.84 -1.23 0.00 0.00 174.94 173.24 2fnt s PRO 63 N 1.12 4.41 -0.03 2.79 0.02 -1.26 -1.68 135.00 140.37 2fnt s PRO 63 Ca 0.23 2.02 -0.01 0.00 0.02 0.00 0.00 61.00 63.26 2fnt s PRO 63 Cb -0.15 -3.20 0.03 0.00 0.02 0.00 0.00 34.50 31.20 2fnt s PRO 63 CO 0.09 -0.21 0.05 0.08 -0.33 0.00 0.00 177.00 176.68 2fnt s VAL 64 N 0.02 -0.09 -0.25 3.83 1.01 0.34 -4.46 120.40 120.80 2fnt s VAL 64 Ca 0.55 0.31 -0.10 0.00 0.00 0.00 0.00 61.98 62.75 2fnt s VAL 64 Cb -0.36 -0.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 2fnt s VAL 64 CO 0.38 0.13 0.15 -1.83 0.00 0.00 0.00 175.10 173.94 2fnt s GLU 65 N 1.58 3.98 -0.27 2.72 1.03 -0.31 -0.97 118.70 126.46 2fnt s GLU 65 Ca -0.03 -0.31 0.01 0.00 0.03 0.00 0.00 54.97 54.67 2fnt s GLU 65 Cb -0.13 -3.53 0.05 0.00 -0.80 0.00 0.00 34.13 29.73 2fnt s GLU 65 CO -0.03 -0.03 -0.08 0.42 -1.33 0.00 0.00 175.26 174.21 2fnt s ILE 66 N 1.29 2.41 -1.47 1.83 1.01 0.31 -0.73 121.20 125.85 2fnt s ILE 66 Ca 0.07 -1.51 -0.13 0.00 0.00 0.00 0.00 60.65 59.08 2fnt s ILE 66 Cb -0.14 -2.38 0.10 0.00 0.01 0.00 0.00 42.46 40.04 2fnt s ILE 66 CO 0.06 -0.01 0.71 0.00 0.00 0.00 0.00 174.94 175.70 2fnt n GLY 68 N -1.38 0.74 3.75 0.00 0.00 -1.26 -5.01 105.19 102.02 2fnt n GLY 68 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 2fnt n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2fnt s HIS 69 N -3.01 3.42 -0.01 1.61 4.02 0.09 -5.08 115.29 116.32 2fnt s HIS 69 Ca 0.00 0.32 -0.21 0.00 1.02 0.00 0.00 55.06 56.19 2fnt s HIS 69 Cb 0.00 -2.05 -0.05 0.00 -1.02 0.00 0.00 32.58 29.45 2fnt s HIS 69 CO 0.00 0.40 0.61 -1.59 1.02 0.00 0.00 174.74 175.19 2fnt s LYS 70 N -0.12 4.34 0.09 1.40 0.00 -1.26 -0.53 119.74 123.66 2fnt s LYS 70 Ca 0.09 0.76 0.04 0.00 0.00 0.00 0.00 55.97 56.86 2fnt s LYS 70 Cb -0.12 -3.36 -0.03 0.00 0.00 0.00 0.00 37.83 34.32 2fnt s LYS 70 CO 0.00 0.33 -0.10 0.00 0.00 0.00 0.00 175.35 175.58 2fnt s ALA 71 N -0.07 1.07 -0.14 0.59 0.00 -0.15 -4.62 121.76 118.45 2fnt s ALA 71 Ca 0.32 -1.14 -0.04 0.00 0.00 0.00 0.00 51.96 51.10 2fnt s ALA 71 Cb -0.18 0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.01 2fnt s ALA 71 CO 0.17 -0.02 0.07 0.42 0.00 0.00 0.00 175.76 176.40 2fnt s ILE 72 N -2.29 0.06 0.00 0.00 1.01 -1.26 -0.50 121.20 118.21 2fnt s ILE 72 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.60 2fnt s ILE 72 Cb -0.04 -0.57 0.00 0.00 0.01 0.00 0.00 42.46 41.87 2fnt s ILE 72 CO 0.00 -0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.42 2fnt n GLY 73 N 5.23 1.44 3.71 6.18 0.00 -0.67 -4.78 105.19 116.30 2fnt n GLY 73 Ca -0.07 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 2fnt n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fnt s THR 74 N -2.41 4.79 -0.11 2.61 2.01 -1.26 -0.85 115.64 120.43 2fnt s THR 74 Ca 0.00 2.05 0.02 0.00 0.31 0.00 0.00 61.69 64.07 2fnt s THR 74 Cb 0.00 -4.31 0.01 0.00 0.01 0.00 0.00 72.50 68.21 2fnt s THR 74 CO 0.00 0.20 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.26 2fnt s VAL 75 N 0.78 1.66 0.07 3.82 1.01 0.08 -4.47 120.40 123.36 2fnt s VAL 75 Ca 0.51 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 2fnt s VAL 75 Cb -0.21 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 2fnt s VAL 75 CO 0.28 0.47 0.36 -0.76 0.00 0.00 0.00 175.10 175.45 2fnt s LEU 76 N 0.81 4.34 -0.08 3.92 1.43 -0.15 -0.86 118.68 128.09 2fnt s LEU 76 Ca -0.10 0.69 0.02 0.00 -1.03 0.00 0.00 54.13 53.71 2fnt s LEU 76 Cb -0.16 -2.96 0.01 0.00 0.03 0.00 0.00 46.19 43.12 2fnt s LEU 76 CO 0.01 0.17 -0.13 -0.69 0.23 0.00 0.00 176.35 175.93 2fnt s VAL 77 N -1.42 1.28 -0.64 -1.59 1.01 0.08 -0.39 120.40 118.73 2fnt s VAL 77 Ca 0.33 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.77 2fnt s VAL 77 Cb -0.13 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.08 2fnt s VAL 77 CO 0.19 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2fnt n GLY 78 N 3.95 -1.26 3.53 4.51 0.00 -0.59 -0.86 105.19 114.47 2fnt n GLY 78 Ca -0.21 -0.86 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 2fnt n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2fnt n PRO 79 N -0.00 2.60 -4.08 1.61 -0.04 -1.26 -3.72 135.00 130.11 2fnt n PRO 79 Ca 0.00 -2.94 -0.31 0.00 -0.04 0.00 0.00 63.50 60.21 2fnt n PRO 79 Cb 0.00 -3.56 -0.07 0.00 -0.04 0.00 0.00 33.50 29.84 2fnt n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2fnt s THR 80 N 6.53 4.54 0.44 0.52 -1.32 -1.26 -5.00 115.64 120.10 2fnt s THR 80 Ca 0.59 -0.69 0.37 0.00 -1.21 0.00 0.00 61.69 60.74 2fnt s THR 80 Cb 0.03 -3.16 0.39 0.00 -1.51 0.00 0.00 72.50 68.26 2fnt s THR 80 CO 0.09 0.18 2.18 -0.65 -2.21 0.00 0.00 174.62 174.22 2fnt h PRO 81 N 3.52 0.00 -2.49 7.08 0.11 -1.97 -3.45 132.00 134.80 2fnt h PRO 81 Ca -0.47 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 2fnt h PRO 81 Cb 1.17 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.09 2fnt h PRO 81 CO 0.65 0.03 0.02 0.00 -0.21 0.00 0.00 178.00 178.49 2fnt s ALA 82 N -4.04 -1.38 0.14 -0.75 0.00 -1.26 -5.11 121.76 109.35 2fnt s ALA 82 Ca -0.03 0.86 -0.31 0.00 0.00 0.00 0.00 51.96 52.48 2fnt s ALA 82 Cb 0.12 0.12 -0.10 0.00 0.00 0.00 0.00 23.12 23.26 2fnt s ALA 82 CO 0.50 -0.37 1.68 -0.80 0.00 0.00 0.00 175.76 176.76 2fnt s ASN 83 N -1.43 6.52 -0.11 0.00 0.01 -1.26 -4.68 114.94 113.99 2fnt s ASN 83 Ca -0.10 2.66 0.01 0.00 -0.71 0.00 0.00 52.86 54.72 2fnt s ASN 83 Cb -0.02 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.08 2fnt s ASN 83 CO 0.05 -0.91 -0.14 -0.63 -1.51 0.00 0.00 177.10 173.97 2fnt s ILE 84 N 1.89 1.43 -0.32 0.60 1.01 0.16 -0.61 121.20 125.36 2fnt s ILE 84 Ca 0.74 -0.59 -0.17 0.00 0.00 0.00 0.00 60.65 60.64 2fnt s ILE 84 Cb -0.44 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 2fnt s ILE 84 CO 0.33 0.43 0.45 -0.63 0.00 0.00 0.00 174.94 175.52 2fnt s ILE 85 N 1.13 5.09 0.42 2.92 -1.09 -0.03 -1.37 121.20 128.27 2fnt s ILE 85 Ca -0.04 0.40 0.07 0.00 -2.23 0.00 0.00 60.65 58.85 2fnt s ILE 85 Cb -0.14 -3.86 0.07 0.00 -1.58 0.00 0.00 42.46 36.95 2fnt s ILE 85 CO -0.04 -0.07 0.57 0.61 -1.23 0.00 0.00 174.94 174.79 2fnt n GLY 86 N 4.75 1.98 0.26 6.18 0.00 -1.22 -0.91 105.19 116.23 2fnt n GLY 86 Ca -0.06 -2.20 0.09 0.00 0.00 0.00 0.00 46.02 43.84 2fnt n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2fnt h ARG 87 N 0.00 0.00 -0.75 1.61 3.08 -0.86 -1.57 114.38 115.88 2fnt h ARG 87 Ca -0.20 0.00 0.11 0.00 0.07 0.00 0.00 59.98 59.96 2fnt h ARG 87 Cb 0.90 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.90 2fnt h ARG 87 CO 0.28 0.06 0.49 -2.95 -1.07 0.00 0.00 179.97 176.78 2fnt h ASN 88 N 0.00 0.55 0.00 7.04 -1.07 -1.74 -1.45 115.58 118.91 2fnt h ASN 88 Ca -0.00 0.02 -0.27 0.00 0.07 0.00 0.00 56.30 56.12 2fnt h ASN 88 Cb 0.11 -0.10 -0.05 0.00 -2.07 0.00 0.00 38.32 36.21 2fnt h ASN 88 CO 0.01 0.32 -2.26 0.18 0.07 0.00 0.00 177.43 175.75 2fnt n LEU 89 N -4.50 0.00 -0.38 6.14 4.77 -0.82 -4.16 117.00 118.05 2fnt n LEU 89 Ca 0.13 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.09 2fnt n LEU 89 Cb 0.38 0.36 0.12 0.00 -2.33 0.00 0.00 43.42 41.94 2fnt n LEU 89 CO 0.32 0.36 1.30 -0.07 -1.33 0.00 0.00 177.39 177.97 2fnt h LEU 90 N 0.00 1.15 -1.10 2.23 3.38 -1.11 -1.78 115.31 118.07 2fnt h LEU 90 Ca -0.40 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.50 2fnt h LEU 90 Cb 1.89 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.33 2fnt h LEU 90 CO 0.02 0.82 0.13 0.71 0.09 0.00 0.00 178.44 180.22 2fnt h THR 91 N 1.35 1.21 -0.39 0.22 1.35 -1.47 -1.12 112.91 114.07 2fnt h THR 91 Ca 0.37 -0.76 -0.06 0.00 -0.55 0.00 0.00 66.41 65.42 2fnt h THR 91 Cb -0.13 0.68 -0.02 0.00 -1.73 0.00 0.00 68.15 66.95 2fnt h THR 91 CO -0.09 0.28 0.00 1.56 -0.25 0.00 0.00 175.52 177.03 2fnt h GLN 92 N 0.75 0.62 -0.17 4.72 4.20 -1.49 -2.07 115.11 121.67 2fnt h GLN 92 Ca 0.17 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2fnt h GLN 92 Cb 0.26 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2fnt h GLN 92 CO -0.00 0.64 0.00 0.44 -0.67 0.00 0.00 178.83 179.23 2fnt n ILE 93 N -4.26 0.22 -1.64 2.54 -5.35 -1.03 -4.93 119.36 104.91 2fnt n ILE 93 Ca 0.02 -0.34 -0.02 0.00 -0.27 0.00 0.00 62.75 62.14 2fnt n ILE 93 Cb 0.26 0.33 -0.00 0.00 -1.74 0.00 0.00 39.64 38.48 2fnt n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2fnt n GLY 94 N 1.11 0.38 3.71 3.28 0.00 -0.78 -5.01 105.19 107.88 2fnt n GLY 94 Ca 0.16 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 2fnt n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fnt s THR 96 N 0.84 1.56 -0.11 0.00 -4.23 -1.26 -4.64 115.64 107.80 2fnt s THR 96 Ca 0.51 -2.15 -0.10 0.00 -1.18 0.00 0.00 61.69 58.77 2fnt s THR 96 Cb -0.22 -2.16 -0.05 0.00 1.34 0.00 0.00 72.50 71.41 2fnt s THR 96 CO 0.28 -0.51 0.23 -0.76 -0.54 0.00 0.00 174.62 173.33 2fnt s LEU 97 N -3.33 4.37 -0.00 4.79 1.43 -1.26 -5.10 118.68 119.57 2fnt s LEU 97 Ca 0.24 0.57 0.01 0.00 -1.03 0.00 0.00 54.13 53.92 2fnt s LEU 97 Cb 0.02 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.99 2fnt s LEU 97 CO 0.08 0.31 -0.02 0.20 0.23 0.00 0.00 176.35 177.15 2fnt s ASN 98 N -0.64 0.27 0.00 2.29 0.01 -1.26 -5.30 114.94 110.31 2fnt s ASN 98 Ca 0.17 -0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.28 2fnt s ASN 98 Cb -0.13 -0.04 0.00 0.00 0.41 0.00 0.00 41.25 41.49 2fnt s ASN 98 CO 0.06 0.02 0.00 2.22 -1.51 0.00 0.00 177.10 177.88