#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f3k s GLN 2 N 0.00 3.85 -0.15 0.54 0.74 -1.26 -5.10 119.66 118.28 2f3k s GLN 2 Ca 0.00 -0.41 0.02 0.00 0.05 0.00 0.00 55.36 55.02 2f3k s GLN 2 Cb 0.00 -3.13 0.02 0.00 1.10 0.00 0.00 33.01 31.00 2f3k s GLN 2 CO 0.00 0.22 -0.19 0.42 -0.55 0.00 0.00 175.29 175.19 2f3k s ILE 3 N 0.47 1.91 0.77 -2.34 1.01 -1.26 -5.13 121.20 116.63 2f3k s ILE 3 Ca 0.01 -0.87 -0.06 0.00 0.00 0.00 0.00 60.65 59.73 2f3k s ILE 3 Cb -0.13 -1.72 0.12 0.00 0.01 0.00 0.00 42.46 40.75 2f3k s ILE 3 CO 0.01 0.52 1.07 0.42 0.00 0.00 0.00 174.94 176.96 2f3k s THR 4 N 1.08 2.17 -0.08 2.92 -4.23 -1.26 -5.04 115.64 111.19 2f3k s THR 4 Ca -0.01 -0.37 0.12 0.00 -1.18 0.00 0.00 61.69 60.25 2f3k s THR 4 Cb -0.14 -2.80 0.19 0.00 1.34 0.00 0.00 72.50 71.08 2f3k s THR 4 CO -0.07 0.00 1.08 0.18 -0.54 0.00 0.00 174.62 175.27 2f3k n LEU 5 N -3.06 1.76 0.01 4.79 4.77 -1.26 -4.56 117.00 119.45 2f3k n LEU 5 Ca 0.13 -2.43 0.00 0.00 -0.03 0.00 0.00 56.01 53.68 2f3k n LEU 5 Cb 0.60 -0.28 0.31 0.00 -2.33 0.00 0.00 43.42 41.72 2f3k n LEU 5 CO 0.46 0.57 0.93 -0.50 -1.33 0.00 0.00 177.39 177.52 2f3k h TRP 6 N 0.00 0.51 -2.03 -1.77 4.06 -2.07 -3.43 115.95 111.21 2f3k h TRP 6 Ca 0.00 -0.05 -0.58 0.00 2.06 0.00 0.00 58.89 60.32 2f3k h TRP 6 Cb 1.02 -0.15 -0.11 0.00 -1.00 0.00 0.00 29.16 28.92 2f3k h TRP 6 CO 0.02 0.51 -0.64 0.15 -3.56 0.00 0.00 178.44 174.92 2f3k s LYS 7 N -4.95 2.10 0.26 0.49 1.02 -1.26 -5.09 119.74 112.30 2f3k s LYS 7 Ca -0.07 -1.65 -0.31 0.00 0.02 0.00 0.00 55.97 53.96 2f3k s LYS 7 Cb 0.15 -1.98 -0.13 0.00 -0.52 0.00 0.00 37.83 35.35 2f3k s LYS 7 CO 0.76 0.22 1.50 0.54 -0.92 0.00 0.00 175.35 177.45 2f3k n ARG 8 N -0.90 2.32 -1.84 1.68 1.74 -1.26 -4.85 116.66 113.53 2f3k n ARG 8 Ca -0.05 0.83 -0.41 0.00 -0.77 0.00 0.00 57.85 57.44 2f3k n ARG 8 Cb 0.61 -2.54 -0.02 0.00 -1.02 0.00 0.00 32.46 29.49 2f3k n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2f3k n PRO 9 N 2.20 2.58 -3.35 5.56 -0.04 -1.26 -4.93 135.00 135.76 2f3k n PRO 9 Ca 0.11 -2.61 -0.38 0.00 -0.04 0.00 0.00 63.50 60.58 2f3k n PRO 9 Cb 0.33 -3.30 -0.06 0.00 -0.04 0.00 0.00 33.50 30.43 2f3k n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2f3k s LEU 10 N 3.16 4.42 0.12 1.53 1.43 -1.26 -1.39 118.68 126.70 2f3k s LEU 10 Ca 0.52 1.01 0.01 0.00 -1.03 0.00 0.00 54.13 54.65 2f3k s LEU 10 Cb 0.11 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 2f3k s LEU 10 CO 0.01 0.18 -0.02 0.68 0.23 0.00 0.00 176.35 177.43 2f3k s VAL 11 N -0.43 0.55 0.03 -1.59 -7.23 0.16 -4.93 120.40 106.96 2f3k s VAL 11 Ca 0.27 -1.93 -0.24 0.00 -1.81 0.00 0.00 61.98 58.26 2f3k s VAL 11 Cb -0.17 -1.87 -0.05 0.00 0.56 0.00 0.00 36.38 34.84 2f3k s VAL 11 CO 0.14 -0.69 0.72 -0.89 -0.31 0.00 0.00 175.10 174.08 2f3k s THR 12 N -3.73 4.77 0.28 5.32 2.01 -1.26 -0.43 115.64 122.60 2f3k s THR 12 Ca 0.17 1.54 0.12 0.00 0.31 0.00 0.00 61.69 63.83 2f3k s THR 12 Cb 0.06 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 2f3k s THR 12 CO -0.01 0.38 -0.19 0.27 -0.69 0.00 0.00 174.62 174.37 2f3k s ILE 13 N -0.09 2.43 -0.12 1.82 -4.36 0.78 -1.69 121.20 119.96 2f3k s ILE 13 Ca 0.37 -2.39 0.01 0.00 -0.26 0.00 0.00 60.65 58.37 2f3k s ILE 13 Cb -0.20 -2.29 0.02 0.00 1.25 0.00 0.00 42.46 41.24 2f3k s ILE 13 CO 0.22 -0.41 -0.13 -0.60 0.24 0.00 0.00 174.94 174.26 2f3k s ARG 14 N -3.52 2.04 -0.13 0.37 3.52 -0.12 -1.16 118.95 119.96 2f3k s ARG 14 Ca 0.30 -0.48 -0.10 0.00 -0.13 0.00 0.00 55.73 55.31 2f3k s ARG 14 Cb -0.05 -1.83 0.04 0.00 -1.56 0.00 0.00 34.95 31.55 2f3k s ARG 14 CO 0.15 -0.14 0.33 -1.50 -0.81 0.00 0.00 175.30 173.32 2f3k s ILE 15 N 1.24 -0.01 -0.73 4.11 2.07 -0.13 -1.27 121.20 126.47 2f3k s ILE 15 Ca -0.02 0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.25 2f3k s ILE 15 Cb -0.14 -0.46 0.00 0.00 0.13 0.00 0.00 42.46 41.99 2f3k s ILE 15 CO -0.05 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.60 2f3k n GLY 16 N 3.21 -0.23 1.46 1.50 0.00 -1.26 -0.41 105.19 109.46 2f3k n GLY 16 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2f3k n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f3k n GLY 17 N -0.58 0.79 3.52 -0.02 0.00 -1.26 -5.06 105.19 102.58 2f3k n GLY 17 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 2f3k n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2f3k s GLN 18 N -0.51 2.21 0.03 1.61 -2.07 0.45 -5.10 119.66 116.28 2f3k s GLN 18 Ca 0.00 -0.92 -0.19 0.00 -1.82 0.00 0.00 55.36 52.43 2f3k s GLN 18 Cb 0.00 -2.30 -0.06 0.00 -1.09 0.00 0.00 33.01 29.56 2f3k s GLN 18 CO 0.00 0.55 0.54 -0.51 -1.32 0.00 0.00 175.29 174.55 2f3k s LEU 19 N -1.62 4.48 0.04 2.60 1.43 -1.26 -0.96 118.68 123.40 2f3k s LEU 19 Ca 0.17 1.16 -0.06 0.00 -1.03 0.00 0.00 54.13 54.36 2f3k s LEU 19 Cb -0.11 -2.83 -0.01 0.00 0.03 0.00 0.00 46.19 43.27 2f3k s LEU 19 CO 0.08 0.23 0.12 -0.54 0.23 0.00 0.00 176.35 176.46 2f3k s LYS 20 N -0.79 0.64 0.01 1.70 1.02 -0.31 -4.98 119.74 117.02 2f3k s LYS 20 Ca 0.28 -0.79 -0.16 0.00 0.02 0.00 0.00 55.97 55.32 2f3k s LYS 20 Cb -0.18 0.25 -0.06 0.00 -0.52 0.00 0.00 37.83 37.32 2f3k s LYS 20 CO 0.17 -0.17 0.46 -1.21 -0.92 0.00 0.00 175.35 173.68 2f3k s GLU 21 N -2.84 4.05 0.05 1.68 0.41 -1.26 -0.16 118.70 120.63 2f3k s GLU 21 Ca -0.03 0.51 -0.07 0.00 -0.41 0.00 0.00 54.97 54.97 2f3k s GLU 21 Cb 0.00 -3.25 -0.01 0.00 -1.78 0.00 0.00 34.13 29.09 2f3k s GLU 21 CO -0.06 0.62 0.13 0.00 -0.49 0.00 0.00 175.26 175.47 2f3k s ALA 22 N -0.89 -0.14 -0.25 5.21 0.00 0.43 -4.32 121.76 121.80 2f3k s ALA 22 Ca 0.25 -0.54 -0.11 0.00 0.00 0.00 0.00 51.96 51.57 2f3k s ALA 22 Cb -0.17 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 23.21 2f3k s ALA 22 CO 0.15 -0.38 0.18 -1.17 0.00 0.00 0.00 175.76 174.54 2f3k s LEU 23 N -2.33 4.09 -0.44 0.00 2.96 0.14 -0.67 118.68 122.44 2f3k s LEU 23 Ca -0.02 0.10 -0.29 0.00 -0.22 0.00 0.00 54.13 53.70 2f3k s LEU 23 Cb 0.01 -2.13 0.02 0.00 0.50 0.00 0.00 46.19 44.59 2f3k s LEU 23 CO -0.06 0.03 1.19 -0.76 -1.32 0.00 0.00 176.35 175.42 2f3k s LEU 24 N 1.27 3.67 -0.48 -0.68 1.43 -0.48 -0.43 118.68 122.98 2f3k s LEU 24 Ca 0.08 0.65 0.03 0.00 -1.03 0.00 0.00 54.13 53.85 2f3k s LEU 24 Cb -0.14 -3.55 0.14 0.00 0.03 0.00 0.00 46.19 42.67 2f3k s LEU 24 CO 0.06 -1.23 0.27 -0.62 0.23 0.00 0.00 176.35 175.06 2f3k s ASP 25 N 2.66 3.82 0.58 2.29 -1.08 -0.40 -4.79 116.67 119.75 2f3k s ASP 25 Ca 0.51 -2.83 0.33 0.00 -0.52 0.00 0.00 52.55 50.04 2f3k s ASP 25 Cb -0.09 -1.21 1.81 0.00 -1.46 0.00 0.00 42.92 41.97 2f3k s ASP 25 CO 0.29 -0.24 2.20 0.71 0.52 0.00 0.00 175.17 178.65 2f3k h THR 26 N 5.23 0.36 -0.06 1.71 1.35 -1.93 -0.88 112.91 118.69 2f3k h THR 26 Ca -0.01 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 2f3k h THR 26 Cb 0.91 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 2f3k h THR 26 CO 0.55 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 176.47 2f3k n GLY 27 N -0.91 -0.41 3.48 5.82 0.00 -1.26 -4.76 105.19 107.15 2f3k n GLY 27 Ca -0.02 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 2f3k n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f3k s ALA 28 N -1.93 3.19 0.15 4.61 0.00 -0.33 -4.97 121.76 122.47 2f3k s ALA 28 Ca 0.34 -1.06 -0.13 0.00 0.00 0.00 0.00 51.96 51.12 2f3k s ALA 28 Cb 0.17 -2.03 0.03 0.00 0.00 0.00 0.00 23.12 21.29 2f3k s ALA 28 CO 0.27 -0.35 1.63 -0.44 0.00 0.00 0.00 175.76 176.88 2f3k h ASP 29 N 7.92 0.81 -2.16 0.00 3.32 -1.85 0.21 116.42 124.67 2f3k h ASP 29 Ca -0.37 -0.27 -0.60 0.00 0.02 0.00 0.00 57.03 55.81 2f3k h ASP 29 Cb 1.18 -0.22 -0.13 0.00 0.22 0.00 0.00 39.33 40.38 2f3k h ASP 29 CO 0.60 0.87 -0.71 -1.81 -1.72 0.00 0.00 179.24 176.47 2f3k s ASP 30 N -6.25 3.88 -0.08 6.45 1.01 -1.26 -2.47 116.67 117.95 2f3k s ASP 30 Ca -0.13 -0.94 -0.17 0.00 0.71 0.00 0.00 52.55 52.02 2f3k s ASP 30 Cb 0.12 -0.46 -0.05 0.00 1.01 0.00 0.00 42.92 43.54 2f3k s ASP 30 CO 0.81 -0.01 0.44 -0.89 0.21 0.00 0.00 175.17 175.73 2f3k s THR 31 N -2.47 5.13 -0.11 -1.27 2.01 -1.26 -3.60 115.64 114.07 2f3k s THR 31 Ca 0.31 0.89 -0.01 0.00 0.31 0.00 0.00 61.69 63.18 2f3k s THR 31 Cb -0.04 -3.77 0.03 0.00 0.01 0.00 0.00 72.50 68.73 2f3k s THR 31 CO 0.17 0.42 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.82 2f3k s VAL 32 N 0.02 0.54 0.10 3.82 1.01 -0.16 -1.36 120.40 124.37 2f3k s VAL 32 Ca 0.24 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.15 2f3k s VAL 32 Cb -0.16 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 2f3k s VAL 32 CO 0.11 0.18 0.04 -0.76 0.00 0.00 0.00 175.10 174.66 2f3k s LEU 33 N 1.89 3.60 0.76 3.92 1.43 0.94 -0.74 118.68 130.49 2f3k s LEU 33 Ca 0.04 -0.13 -0.15 0.00 -1.03 0.00 0.00 54.13 52.86 2f3k s LEU 33 Cb -0.13 -2.30 0.04 0.00 0.03 0.00 0.00 46.19 43.83 2f3k s LEU 33 CO -0.06 0.16 1.13 -0.62 0.23 0.00 0.00 176.35 177.19 2f3k n GLU 34 N 0.41 0.42 -1.62 1.70 1.02 -1.26 -1.63 120.64 119.68 2f3k n GLU 34 Ca -0.10 0.21 -0.48 0.00 -0.02 0.00 0.00 57.16 56.77 2f3k n GLU 34 Cb 0.52 -2.38 -0.04 0.00 -0.02 0.00 0.00 31.44 29.52 2f3k n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2f3k n GLU 35 N -2.61 1.56 -3.60 3.49 4.71 -1.21 -4.62 120.64 118.38 2f3k n GLU 35 Ca 0.14 0.56 -0.08 0.00 -0.01 0.00 0.00 57.16 57.77 2f3k n GLU 35 Cb 0.50 -2.21 -0.02 0.00 -1.01 0.00 0.00 31.44 28.70 2f3k n GLU 35 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2f3k s MET 36 N 0.24 1.18 -0.03 3.49 0.23 -1.26 -5.03 119.30 118.12 2f3k s MET 36 Ca 0.78 -0.54 -0.21 0.00 -1.03 0.00 0.00 55.69 54.69 2f3k s MET 36 Cb -0.81 0.48 -0.05 0.00 -1.53 0.00 0.00 34.83 32.92 2f3k s MET 36 CO 0.46 -0.53 0.60 -0.80 -2.03 0.00 0.00 175.02 172.73 2f3k s ASN 37 N -2.73 6.95 0.02 -1.18 0.02 -1.26 -5.05 114.94 111.71 2f3k s ASN 37 Ca 0.07 1.13 0.04 0.00 -1.02 0.00 0.00 52.86 53.07 2f3k s ASN 37 Cb -0.02 -2.37 -0.02 0.00 0.02 0.00 0.00 41.25 38.87 2f3k s ASN 37 CO -0.05 0.05 -0.11 -0.76 0.02 0.00 0.00 177.10 176.25 2f3k s LEU 38 N 0.08 2.12 0.54 0.60 1.43 -1.26 -5.01 118.68 117.18 2f3k s LEU 38 Ca 0.32 -0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 52.87 2f3k s LEU 38 Cb -0.18 -0.49 -0.06 0.00 0.03 0.00 0.00 46.19 45.50 2f3k s LEU 38 CO 0.17 0.03 1.14 -2.84 0.23 0.00 0.00 176.35 175.08 2f3k s PRO 39 N -0.82 3.33 0.00 1.29 0.02 -1.26 -4.94 135.00 132.63 2f3k s PRO 39 Ca 0.01 1.66 0.00 0.00 0.02 0.00 0.00 61.00 62.68 2f3k s PRO 39 Cb -0.06 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.43 2f3k s PRO 39 CO 0.00 -0.88 0.00 0.41 -0.33 0.00 0.00 177.00 176.21 2f3k n GLY 40 N 0.23 -3.27 3.80 0.52 0.00 -1.26 -4.98 105.19 100.23 2f3k n GLY 40 Ca 0.12 -2.09 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 2f3k n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f3k s LYS 41 N -0.58 4.10 0.16 1.61 0.00 -1.26 -5.07 119.74 118.70 2f3k s LYS 41 Ca 0.00 1.29 0.02 0.00 0.00 0.00 0.00 55.97 57.27 2f3k s LYS 41 Cb 0.00 -2.26 -0.05 0.00 0.00 0.00 0.00 37.83 35.52 2f3k s LYS 41 CO 0.00 -0.16 -0.00 1.67 0.00 0.00 0.00 175.35 176.86 2f3k s TRP 42 N -1.97 1.17 -0.02 1.78 1.48 -1.26 -4.58 118.94 115.53 2f3k s TRP 42 Ca 0.62 -1.02 0.06 0.00 -1.06 0.00 0.00 56.10 54.70 2f3k s TRP 42 Cb -0.15 -0.66 -0.01 0.00 -1.16 0.00 0.00 33.47 31.49 2f3k s TRP 42 CO 0.19 -0.22 -0.21 0.15 -4.06 0.00 0.00 176.95 172.79 2f3k s LYS 43 N -3.92 1.79 0.35 3.25 -0.14 -0.58 -4.90 119.74 115.59 2f3k s LYS 43 Ca 0.23 -0.75 -0.28 0.00 -1.36 0.00 0.00 55.97 53.80 2f3k s LYS 43 Cb 0.06 -1.68 -0.11 0.00 -1.68 0.00 0.00 37.83 34.42 2f3k s LYS 43 CO 0.03 0.43 1.40 -2.14 -0.76 0.00 0.00 175.35 174.31 2f3k s PRO 44 N -0.41 4.23 0.09 -1.68 0.02 -1.26 -0.23 135.00 135.75 2f3k s PRO 44 Ca 0.06 2.40 -0.09 0.00 0.02 0.00 0.00 61.00 63.38 2f3k s PRO 44 Cb -0.09 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.41 2f3k s PRO 44 CO -0.00 -0.37 0.20 0.21 -0.33 0.00 0.00 177.00 176.72 2f3k s LYS 45 N -1.88 0.85 0.01 5.54 2.20 -0.69 -4.87 119.74 120.90 2f3k s LYS 45 Ca 0.51 -0.91 0.08 0.00 -0.36 0.00 0.00 55.97 55.29 2f3k s LYS 45 Cb -0.43 0.35 -0.02 0.00 -1.51 0.00 0.00 37.83 36.21 2f3k s LYS 45 CO 0.58 -0.27 -0.26 -1.64 -0.36 0.00 0.00 175.35 173.40 2f3k s MET 46 N -3.74 1.93 0.06 4.03 -1.94 -1.26 -0.84 119.30 117.54 2f3k s MET 46 Ca 0.04 -0.99 0.03 0.00 -1.71 0.00 0.00 55.69 53.06 2f3k s MET 46 Cb 0.04 -1.97 -0.03 0.00 2.01 0.00 0.00 34.83 34.89 2f3k s MET 46 CO -0.10 0.53 -0.10 0.96 -0.01 0.00 0.00 175.02 176.30 2f3k s ILE 47 N -0.68 0.76 -0.14 2.53 -4.36 -0.76 -4.98 121.20 113.57 2f3k s ILE 47 Ca 0.10 -1.30 0.01 0.00 -0.26 0.00 0.00 60.65 59.21 2f3k s ILE 47 Cb -0.10 -0.93 -0.01 0.00 1.25 0.00 0.00 42.46 42.67 2f3k s ILE 47 CO 0.00 -0.41 -0.16 -0.83 0.24 0.00 0.00 174.94 173.78 2f3k s GLY 48 N -1.88 1.47 0.00 6.27 0.00 -1.26 -0.94 107.32 110.98 2f3k s GLY 48 Ca -0.04 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.71 2f3k s GLY 48 CO 0.00 -0.12 0.00 0.61 0.00 0.00 0.00 173.10 173.59 2f3k n GLY 49 N 3.76 5.25 0.22 0.20 0.00 0.25 -4.97 105.19 109.91 2f3k n GLY 49 Ca -0.19 -2.00 0.03 0.00 0.00 0.00 0.00 46.02 43.86 2f3k n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2f3k h ILE 50 N 0.00 1.18 -0.01 -0.61 6.09 -2.03 -2.90 117.51 119.24 2f3k h ILE 50 Ca 0.00 -0.85 0.00 0.00 -1.37 0.00 0.00 64.86 62.64 2f3k h ILE 50 Cb 0.00 1.36 0.00 0.00 0.47 0.00 0.00 36.82 38.65 2f3k h ILE 50 CO 0.00 0.25 -0.18 0.61 -3.07 0.00 0.00 178.15 175.76 2f3k n GLY 51 N -0.82 -0.20 0.00 8.18 0.00 -1.26 -5.05 105.19 106.03 2f3k n GLY 51 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2f3k n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f3k n GLY 52 N 1.30 0.42 3.73 -0.02 0.00 -1.09 -5.10 105.19 104.43 2f3k n GLY 52 Ca 0.14 -2.18 -0.31 0.00 0.00 0.00 0.00 46.02 43.67 2f3k n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2f3k s PHE 53 N -0.03 3.14 0.16 1.61 0.40 -1.26 -0.58 117.98 121.41 2f3k s PHE 53 Ca 0.00 0.08 0.05 0.00 -0.60 0.00 0.00 56.93 56.46 2f3k s PHE 53 Cb 0.00 -1.64 -0.04 0.00 0.51 0.00 0.00 43.02 41.85 2f3k s PHE 53 CO 0.00 0.50 -0.11 0.96 0.70 0.00 0.00 175.22 177.27 2f3k s ILE 54 N -1.26 1.31 0.01 0.64 -4.36 -0.11 -4.99 121.20 112.44 2f3k s ILE 54 Ca 0.25 -2.08 -0.21 0.00 -0.26 0.00 0.00 60.65 58.35 2f3k s ILE 54 Cb -0.12 -1.88 -0.05 0.00 1.25 0.00 0.00 42.46 41.66 2f3k s ILE 54 CO 0.17 -0.70 0.62 -0.54 0.24 0.00 0.00 174.94 174.72 2f3k s LYS 55 N -3.68 4.33 0.22 0.37 1.02 -1.26 -1.82 119.74 118.92 2f3k s LYS 55 Ca 0.18 0.78 0.02 0.00 0.02 0.00 0.00 55.97 56.97 2f3k s LYS 55 Cb 0.01 -3.34 -0.05 0.00 -0.52 0.00 0.00 37.83 33.94 2f3k s LYS 55 CO 0.02 0.37 0.02 0.14 -0.92 0.00 0.00 175.35 174.98 2f3k s VAL 56 N -0.23 0.81 -0.21 3.17 -7.23 -0.02 -4.54 120.40 112.15 2f3k s VAL 56 Ca 0.32 -2.01 -0.09 0.00 -1.81 0.00 0.00 61.98 58.39 2f3k s VAL 56 Cb -0.19 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 2f3k s VAL 56 CO 0.18 -0.31 0.12 -0.13 -0.31 0.00 0.00 175.10 174.65 2f3k s ARG 57 N -3.92 4.09 -0.34 4.82 0.52 0.28 -1.70 118.95 122.70 2f3k s ARG 57 Ca 0.29 -0.27 -0.13 0.00 -0.52 0.00 0.00 55.73 55.10 2f3k s ARG 57 Cb 0.06 -3.41 -0.02 0.00 0.52 0.00 0.00 34.95 32.11 2f3k s ARG 57 CO 0.08 0.21 0.24 -1.14 0.02 0.00 0.00 175.30 174.71 2f3k s GLN 58 N 0.60 3.46 -0.18 3.54 0.74 0.68 -0.82 119.66 127.68 2f3k s GLN 58 Ca 0.07 -0.67 -0.06 0.00 0.05 0.00 0.00 55.36 54.75 2f3k s GLN 58 Cb -0.12 -3.81 -0.03 0.00 1.10 0.00 0.00 33.01 30.15 2f3k s GLN 58 CO 0.01 -0.46 0.03 0.71 -0.55 0.00 0.00 175.29 175.03 2f3k s TYR 59 N 1.72 3.15 0.14 1.67 1.51 -0.06 -1.53 117.35 123.96 2f3k s TYR 59 Ca 0.06 -0.11 0.02 0.00 -1.01 0.00 0.00 57.07 56.03 2f3k s TYR 59 Cb -0.17 -2.06 -0.04 0.00 -0.11 0.00 0.00 41.96 39.58 2f3k s TYR 59 CO 0.10 0.03 0.29 -0.51 -1.11 0.00 0.00 175.55 174.35 2f3k s ASP 60 N 0.52 6.35 -1.27 2.29 1.01 -1.26 -0.57 116.67 123.74 2f3k s ASP 60 Ca 0.01 0.21 -0.10 0.00 0.71 0.00 0.00 52.55 53.38 2f3k s ASP 60 Cb -0.13 -1.93 -0.00 0.00 1.01 0.00 0.00 42.92 41.87 2f3k s ASP 60 CO 0.02 0.06 0.62 0.00 0.21 0.00 0.00 175.17 176.07 2f3k n GLN 61 N -0.46 -2.47 -3.75 8.23 3.00 -1.10 -4.89 117.38 115.93 2f3k n GLN 61 Ca -0.06 0.44 -0.37 0.00 -0.01 0.00 0.00 57.00 57.00 2f3k n GLN 61 Cb 0.54 -4.37 -0.11 0.00 0.00 0.00 0.00 30.24 26.30 2f3k n GLN 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2f3k s ILE 62 N -3.70 4.73 0.36 5.09 -1.09 0.35 -4.70 121.20 122.24 2f3k s ILE 62 Ca 0.22 -0.03 -0.28 0.00 -2.23 0.00 0.00 60.65 58.33 2f3k s ILE 62 Cb -0.08 -3.21 -0.10 0.00 -1.58 0.00 0.00 42.46 37.49 2f3k s ILE 62 CO 0.87 0.34 1.30 -2.84 -1.23 0.00 0.00 174.94 173.38 2f3k s PRO 63 N 1.40 4.21 -0.22 2.79 0.02 -1.26 -1.59 135.00 140.34 2f3k s PRO 63 Ca 0.06 2.18 -0.09 0.00 0.02 0.00 0.00 61.00 63.16 2f3k s PRO 63 Cb -0.15 -2.94 0.09 0.00 0.02 0.00 0.00 34.50 31.52 2f3k s PRO 63 CO 0.05 -0.30 0.49 -1.50 -0.33 0.00 0.00 177.00 175.41 2f3k s ILE 64 N -1.20 -0.51 -0.31 2.83 2.07 -0.17 -4.41 121.20 119.50 2f3k s ILE 64 Ca 0.52 0.10 -0.14 0.00 -1.41 0.00 0.00 60.65 59.72 2f3k s ILE 64 Cb -0.39 -0.75 -0.03 0.00 0.13 0.00 0.00 42.46 41.42 2f3k s ILE 64 CO 0.51 0.04 0.32 -0.70 -1.91 0.00 0.00 174.94 173.20 2f3k s GLU 65 N 2.29 3.76 -0.32 3.50 2.12 -0.40 -1.17 118.70 128.47 2f3k s GLU 65 Ca -0.05 -0.29 -0.04 0.00 0.36 0.00 0.00 54.97 54.94 2f3k s GLU 65 Cb -0.10 -3.74 0.04 0.00 0.26 0.00 0.00 34.13 30.60 2f3k s GLU 65 CO -0.15 -0.38 0.06 0.42 -0.54 0.00 0.00 175.26 174.67 2f3k s ILE 66 N 1.96 3.46 -1.62 -3.70 1.01 0.61 -0.94 121.20 121.98 2f3k s ILE 66 Ca 0.11 -1.25 -0.16 0.00 0.00 0.00 0.00 60.65 59.36 2f3k s ILE 66 Cb -0.16 -2.98 0.12 0.00 0.01 0.00 0.00 42.46 39.45 2f3k s ILE 66 CO 0.11 -0.16 0.83 0.00 0.00 0.00 0.00 174.94 175.73 2f3k n GLY 68 N -1.54 0.81 3.45 0.00 0.00 -1.26 -5.02 105.19 101.64 2f3k n GLY 68 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 2f3k n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2f3k s HIS 69 N -3.25 2.84 0.11 1.61 4.02 -0.05 -5.10 115.29 115.48 2f3k s HIS 69 Ca 0.00 -0.36 -0.26 0.00 1.02 0.00 0.00 55.06 55.46 2f3k s HIS 69 Cb 0.00 -1.79 -0.07 0.00 -1.02 0.00 0.00 32.58 29.70 2f3k s HIS 69 CO 0.00 0.00 0.82 -1.59 1.02 0.00 0.00 174.74 174.99 2f3k s LYS 70 N -0.10 4.59 0.10 1.40 0.00 -1.26 -0.28 119.74 124.19 2f3k s LYS 70 Ca -0.01 1.20 0.03 0.00 0.00 0.00 0.00 55.97 57.20 2f3k s LYS 70 Cb -0.14 -3.32 -0.04 0.00 0.00 0.00 0.00 37.83 34.33 2f3k s LYS 70 CO 0.03 0.39 -0.10 0.00 0.00 0.00 0.00 175.35 175.68 2f3k s ALA 71 N -0.52 1.13 -0.15 0.59 0.00 -0.32 -4.65 121.76 117.85 2f3k s ALA 71 Ca 0.39 -1.25 -0.04 0.00 0.00 0.00 0.00 51.96 51.06 2f3k s ALA 71 Cb -0.22 0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.00 2f3k s ALA 71 CO 0.26 -0.07 0.10 0.42 0.00 0.00 0.00 175.76 176.46 2f3k s ILE 72 N -2.72 -0.12 0.00 0.00 1.01 -1.26 -1.00 121.20 117.11 2f3k s ILE 72 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.70 2f3k s ILE 72 Cb -0.01 -0.49 0.00 0.00 0.01 0.00 0.00 42.46 41.97 2f3k s ILE 72 CO -0.01 -0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.37 2f3k n GLY 73 N 5.29 1.73 3.72 6.18 0.00 -0.62 -4.74 105.19 116.75 2f3k n GLY 73 Ca -0.06 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 2f3k n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f3k s THR 74 N -2.57 4.63 -0.09 2.61 2.01 -1.26 -0.50 115.64 120.47 2f3k s THR 74 Ca 0.00 1.96 0.02 0.00 0.31 0.00 0.00 61.69 63.98 2f3k s THR 74 Cb 0.00 -4.26 0.02 0.00 0.01 0.00 0.00 72.50 68.27 2f3k s THR 74 CO 0.00 0.20 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.31 2f3k s VAL 75 N 0.72 1.24 -0.05 3.82 1.01 0.27 -4.49 120.40 122.92 2f3k s VAL 75 Ca 0.52 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.93 2f3k s VAL 75 Cb -0.23 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 2f3k s VAL 75 CO 0.29 0.39 0.20 -0.76 0.00 0.00 0.00 175.10 175.22 2f3k s LEU 76 N 0.92 4.38 -0.10 3.92 1.43 -0.47 -0.88 118.68 127.89 2f3k s LEU 76 Ca -0.09 0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 2f3k s LEU 76 Cb -0.15 -2.40 0.02 0.00 0.03 0.00 0.00 46.19 43.68 2f3k s LEU 76 CO 0.00 0.32 -0.14 -0.69 0.23 0.00 0.00 176.35 176.08 2f3k s VAL 77 N -1.18 1.38 -0.00 -1.59 1.01 -0.00 -0.04 120.40 119.98 2f3k s VAL 77 Ca 0.22 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 2f3k s VAL 77 Cb -0.13 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 34.99 2f3k s VAL 77 CO 0.12 0.42 0.15 0.61 0.00 0.00 0.00 175.10 176.39 2f3k n GLY 78 N 4.22 0.54 3.58 4.51 0.00 -0.65 -0.56 105.19 116.83 2f3k n GLY 78 Ca -0.19 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 2f3k n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2f3k s PRO 79 N -2.00 3.17 -0.00 1.61 0.04 -1.26 -3.29 135.00 133.27 2f3k s PRO 79 Ca 0.03 0.70 -0.06 0.00 0.04 0.00 0.00 61.00 61.71 2f3k s PRO 79 Cb -0.00 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.35 2f3k s PRO 79 CO -0.00 -2.08 0.13 -0.08 0.04 0.00 0.00 177.00 175.01 2f3k s THR 80 N 6.85 0.07 -0.52 1.26 -1.32 -1.26 -5.04 115.64 115.68 2f3k s THR 80 Ca 0.61 -0.61 0.26 0.00 -1.21 0.00 0.00 61.69 60.74 2f3k s THR 80 Cb -0.14 -0.39 0.29 0.00 -1.51 0.00 0.00 72.50 70.76 2f3k s THR 80 CO 0.26 -0.34 1.76 1.55 -2.21 0.00 0.00 174.62 175.64 2f3k h PRO 81 N 4.54 0.00 -3.40 7.08 0.13 -1.99 -3.44 132.00 134.92 2f3k h PRO 81 Ca -0.30 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.68 2f3k h PRO 81 Cb 1.20 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.10 2f3k h PRO 81 CO 0.41 0.00 -0.47 0.54 -0.23 0.00 0.00 178.00 178.25 2f3k s VAL 82 N -3.25 0.06 -0.02 1.56 0.11 -1.26 -5.08 120.40 112.52 2f3k s VAL 82 Ca 0.07 -0.47 -0.30 0.00 -2.93 0.00 0.00 61.98 58.35 2f3k s VAL 82 Cb 0.10 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.51 2f3k s VAL 82 CO 0.54 -0.26 1.16 0.20 -3.33 0.00 0.00 175.10 173.40 2f3k s ASN 83 N -0.95 7.12 -0.22 3.54 0.01 -1.26 -4.60 114.94 118.57 2f3k s ASN 83 Ca -0.10 1.83 -0.00 0.00 -0.71 0.00 0.00 52.86 53.88 2f3k s ASN 83 Cb -0.06 -2.57 0.02 0.00 0.41 0.00 0.00 41.25 39.06 2f3k s ASN 83 CO 0.01 -0.50 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.35 2f3k s ILE 84 N 1.70 2.50 -0.38 0.60 1.01 0.08 0.27 121.20 126.97 2f3k s ILE 84 Ca 0.56 -0.99 -0.22 0.00 0.00 0.00 0.00 60.65 60.00 2f3k s ILE 84 Cb -0.25 -2.18 0.01 0.00 0.01 0.00 0.00 42.46 40.05 2f3k s ILE 84 CO 0.25 0.35 0.73 -0.63 0.00 0.00 0.00 174.94 175.64 2f3k s ILE 85 N 1.30 4.77 0.29 2.92 -1.09 0.42 -0.99 121.20 128.83 2f3k s ILE 85 Ca 0.02 0.67 0.04 0.00 -2.23 0.00 0.00 60.65 59.15 2f3k s ILE 85 Cb -0.15 -4.19 0.05 0.00 -1.58 0.00 0.00 42.46 36.59 2f3k s ILE 85 CO -0.08 -0.46 0.41 0.61 -1.23 0.00 0.00 174.94 174.19 2f3k n GLY 86 N 4.68 1.81 0.23 6.18 0.00 -1.24 -1.28 105.19 115.58 2f3k n GLY 86 Ca 0.01 -2.16 0.07 0.00 0.00 0.00 0.00 46.02 43.94 2f3k n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2f3k h ARG 87 N 0.00 0.00 -0.60 1.61 3.08 -0.47 -0.82 114.38 117.18 2f3k h ARG 87 Ca -0.14 0.00 0.08 0.00 0.07 0.00 0.00 59.98 59.99 2f3k h ARG 87 Cb 0.62 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.63 2f3k h ARG 87 CO 0.19 0.17 0.40 -2.95 -1.07 0.00 0.00 179.97 176.71 2f3k h ASN 88 N 0.00 0.45 0.02 7.04 -1.07 -1.74 -1.44 115.58 118.84 2f3k h ASN 88 Ca -0.00 0.00 -0.37 0.00 0.07 0.00 0.00 56.30 56.01 2f3k h ASN 88 Cb 0.33 -0.09 -0.07 0.00 -2.07 0.00 0.00 38.32 36.42 2f3k h ASN 88 CO 0.02 0.28 -2.37 0.18 0.07 0.00 0.00 177.43 175.62 2f3k n LEU 89 N -4.48 0.13 -0.23 6.14 4.77 -0.71 -4.11 117.00 118.51 2f3k n LEU 89 Ca 0.09 0.01 0.02 0.00 -0.03 0.00 0.00 56.01 56.10 2f3k n LEU 89 Cb 0.29 0.44 0.25 0.00 -2.33 0.00 0.00 43.42 42.08 2f3k n LEU 89 CO 0.34 0.51 1.24 -0.07 -1.33 0.00 0.00 177.39 178.08 2f3k h LEU 90 N 0.00 0.85 -0.90 2.23 3.38 -1.00 -1.63 115.31 118.23 2f3k h LEU 90 Ca -0.54 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.36 2f3k h LEU 90 Cb 2.23 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.75 2f3k h LEU 90 CO 0.03 0.60 0.18 0.71 0.09 0.00 0.00 178.44 180.05 2f3k h THR 91 N 1.00 1.24 -0.02 0.22 1.35 -1.46 -1.38 112.91 113.86 2f3k h THR 91 Ca 0.30 -0.86 -0.04 0.00 -0.55 0.00 0.00 66.41 65.26 2f3k h THR 91 Cb -0.02 0.55 -0.01 0.00 -1.73 0.00 0.00 68.15 66.95 2f3k h THR 91 CO -0.08 0.33 -0.16 1.56 -0.25 0.00 0.00 175.52 176.92 2f3k h GLN 92 N 0.95 0.04 -0.27 4.72 4.20 -1.46 -2.01 115.11 121.29 2f3k h GLN 92 Ca 0.21 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2f3k h GLN 92 Cb 0.30 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2f3k h GLN 92 CO -0.01 0.20 0.00 0.44 -0.67 0.00 0.00 178.83 178.79 2f3k n ILE 93 N -4.33 0.34 -1.53 2.54 -5.35 -1.04 -4.92 119.36 105.06 2f3k n ILE 93 Ca -0.02 -0.58 0.00 0.00 -0.27 0.00 0.00 62.75 61.87 2f3k n ILE 93 Cb 0.23 0.85 0.00 0.00 -1.74 0.00 0.00 39.64 38.98 2f3k n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2f3k n GLY 94 N 1.37 0.41 3.72 3.28 0.00 -0.75 -5.00 105.19 108.21 2f3k n GLY 94 Ca 0.18 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 2f3k n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f3k s THR 96 N 0.46 1.36 0.00 0.00 -4.23 -1.26 -4.68 115.64 107.29 2f3k s THR 96 Ca 0.51 -2.11 -0.13 0.00 -1.18 0.00 0.00 61.69 58.79 2f3k s THR 96 Cb -0.25 -2.10 -0.05 0.00 1.34 0.00 0.00 72.50 71.44 2f3k s THR 96 CO 0.30 -0.55 0.37 -0.76 -0.54 0.00 0.00 174.62 173.44 2f3k s LEU 97 N -3.28 4.44 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.68 2f3k s LEU 97 Ca 0.23 0.86 -0.01 0.00 -1.03 0.00 0.00 54.13 54.18 2f3k s LEU 97 Cb 0.03 -2.60 0.02 0.00 0.03 0.00 0.00 46.19 43.66 2f3k s LEU 97 CO 0.06 0.31 0.04 0.20 0.23 0.00 0.00 176.35 177.18 2f3k s ASN 98 N -1.22 -0.00 0.00 2.29 0.01 -1.26 -5.29 114.94 109.46 2f3k s ASN 98 Ca 0.24 0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.47 2f3k s ASN 98 Cb -0.15 0.03 0.00 0.00 0.41 0.00 0.00 41.25 41.53 2f3k s ASN 98 CO 0.13 -0.07 0.00 2.22 -1.51 0.00 0.00 177.10 177.87