#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ekv s GLN 2 N 0.00 3.99 -0.15 0.54 0.74 -1.26 -5.10 119.66 118.43 3ekv s GLN 2 Ca 0.00 -0.32 0.02 0.00 0.05 0.00 0.00 55.36 55.10 3ekv s GLN 2 Cb 0.00 -3.33 0.01 0.00 1.10 0.00 0.00 33.01 30.79 3ekv s GLN 2 CO 0.00 0.17 -0.21 0.42 -0.55 0.00 0.00 175.29 175.13 3ekv s ILE 3 N 0.67 2.16 0.70 -2.34 1.01 -1.26 -5.12 121.20 117.02 3ekv s ILE 3 Ca 0.05 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 59.73 3ekv s ILE 3 Cb -0.13 -1.88 0.10 0.00 0.01 0.00 0.00 42.46 40.56 3ekv s ILE 3 CO 0.01 0.54 0.97 0.42 0.00 0.00 0.00 174.94 176.89 3ekv s THR 4 N 0.88 2.28 -0.10 2.92 -4.23 -1.26 -5.04 115.64 111.08 3ekv s THR 4 Ca -0.05 -0.50 0.14 0.00 -1.18 0.00 0.00 61.69 60.10 3ekv s THR 4 Cb -0.15 -2.78 0.25 0.00 1.34 0.00 0.00 72.50 71.16 3ekv s THR 4 CO -0.03 0.00 1.13 0.18 -0.54 0.00 0.00 174.62 175.35 3ekv n LEU 5 N -2.82 1.78 0.21 4.79 4.77 -1.26 -4.56 117.00 119.92 3ekv n LEU 5 Ca 0.12 -2.66 0.07 0.00 -0.03 0.00 0.00 56.01 53.52 3ekv n LEU 5 Cb 0.60 -0.32 0.47 0.00 -2.33 0.00 0.00 43.42 41.84 3ekv n LEU 5 CO 0.45 0.68 0.79 -0.50 -1.33 0.00 0.00 177.39 177.49 3ekv h TRP 6 N 0.18 0.00 -2.40 -1.77 4.06 -2.07 -3.43 115.95 110.53 3ekv h TRP 6 Ca -0.01 0.00 -0.62 0.00 2.06 0.00 0.00 58.89 60.32 3ekv h TRP 6 Cb 1.14 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.15 3ekv h TRP 6 CO 0.13 0.28 -0.77 0.15 -3.56 0.00 0.00 178.44 174.67 3ekv s LYS 7 N -3.98 1.66 0.22 0.49 1.02 -1.26 -5.10 119.74 112.78 3ekv s LYS 7 Ca -0.02 -1.72 -0.32 0.00 0.02 0.00 0.00 55.97 53.93 3ekv s LYS 7 Cb 0.13 -1.79 -0.14 0.00 -0.52 0.00 0.00 37.83 35.51 3ekv s LYS 7 CO 0.66 0.34 1.45 0.54 -0.92 0.00 0.00 175.35 177.42 3ekv n ARG 8 N -0.45 2.05 -1.91 1.68 1.74 -1.26 -4.84 116.66 113.66 3ekv n ARG 8 Ca -0.06 0.73 -0.39 0.00 -0.77 0.00 0.00 57.85 57.36 3ekv n ARG 8 Cb 0.59 -2.42 -0.03 0.00 -1.02 0.00 0.00 32.46 29.59 3ekv n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3ekv n PRO 9 N 2.35 2.30 -3.48 5.56 -0.04 -1.26 -4.93 135.00 135.50 3ekv n PRO 9 Ca 0.13 -2.57 -0.37 0.00 -0.04 0.00 0.00 63.50 60.65 3ekv n PRO 9 Cb 0.31 -3.37 -0.07 0.00 -0.04 0.00 0.00 33.50 30.33 3ekv n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ekv s LEU 10 N 4.78 4.27 0.12 1.53 1.43 -1.26 -1.03 118.68 128.52 3ekv s LEU 10 Ca 0.57 0.62 0.04 0.00 -1.03 0.00 0.00 54.13 54.33 3ekv s LEU 10 Cb 0.08 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 3ekv s LEU 10 CO 0.07 0.10 -0.09 0.68 0.23 0.00 0.00 176.35 177.33 3ekv s VAL 11 N 0.37 1.00 0.06 -1.59 -7.23 -0.06 -4.94 120.40 108.01 3ekv s VAL 11 Ca 0.20 -1.91 -0.25 0.00 -1.81 0.00 0.00 61.98 58.20 3ekv s VAL 11 Cb -0.14 -1.67 -0.06 0.00 0.56 0.00 0.00 36.38 35.08 3ekv s VAL 11 CO 0.06 -0.72 0.78 -0.89 -0.31 0.00 0.00 175.10 174.03 3ekv s THR 12 N -3.12 4.67 0.22 5.32 2.01 -1.26 -1.01 115.64 122.47 3ekv s THR 12 Ca 0.12 1.67 0.11 0.00 0.31 0.00 0.00 61.69 63.90 3ekv s THR 12 Cb 0.01 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.35 3ekv s THR 12 CO -0.01 0.38 -0.21 0.27 -0.69 0.00 0.00 174.62 174.36 3ekv s ILE 13 N -0.19 2.32 -0.15 1.82 -4.36 -0.12 -1.80 121.20 118.73 3ekv s ILE 13 Ca 0.39 -2.18 0.02 0.00 -0.26 0.00 0.00 60.65 58.62 3ekv s ILE 13 Cb -0.21 -2.16 0.01 0.00 1.25 0.00 0.00 42.46 41.35 3ekv s ILE 13 CO 0.24 -0.27 -0.20 -0.60 0.24 0.00 0.00 174.94 174.34 3ekv s ARG 14 N -3.06 2.89 -0.10 0.37 3.52 0.47 -1.62 118.95 121.42 3ekv s ARG 14 Ca 0.24 -0.80 -0.04 0.00 -0.13 0.00 0.00 55.73 54.99 3ekv s ARG 14 Cb -0.06 -2.39 0.05 0.00 -1.56 0.00 0.00 34.95 30.99 3ekv s ARG 14 CO 0.11 -0.07 0.21 -1.50 -0.81 0.00 0.00 175.30 173.25 3ekv s ILE 15 N 0.96 -0.24 -1.49 4.11 2.07 -0.58 -0.86 121.20 125.18 3ekv s ILE 15 Ca -0.04 0.26 -0.04 0.00 -1.41 0.00 0.00 60.65 59.42 3ekv s ILE 15 Cb -0.15 -0.36 0.01 0.00 0.13 0.00 0.00 42.46 42.10 3ekv s ILE 15 CO -0.05 0.11 0.34 0.61 -1.91 0.00 0.00 174.94 174.04 3ekv n GLY 16 N 4.93 -0.51 1.92 1.50 0.00 -1.26 -1.57 105.19 110.20 3ekv n GLY 16 Ca -0.13 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3ekv n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ekv n GLY 17 N -1.22 0.82 3.47 -0.02 0.00 -1.26 -5.04 105.19 101.94 3ekv n GLY 17 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 3ekv n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ekv s GLN 18 N -0.35 2.47 -0.08 1.61 -1.52 -0.61 -5.10 119.66 116.08 3ekv s GLN 18 Ca 0.00 -0.71 -0.20 0.00 -1.95 0.00 0.00 55.36 52.49 3ekv s GLN 18 Cb 0.00 -2.36 -0.04 0.00 -0.22 0.00 0.00 33.01 30.39 3ekv s GLN 18 CO 0.00 0.62 0.58 -0.51 -0.25 0.00 0.00 175.29 175.72 3ekv s LEU 19 N -0.77 4.31 0.13 2.90 1.43 -1.26 -1.52 118.68 123.90 3ekv s LEU 19 Ca 0.12 1.00 0.02 0.00 -1.03 0.00 0.00 54.13 54.24 3ekv s LEU 19 Cb -0.11 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.20 3ekv s LEU 19 CO 0.01 -0.02 -0.03 -0.54 0.23 0.00 0.00 176.35 176.00 3ekv s LYS 20 N 0.54 0.97 -0.14 1.70 1.02 -0.64 -4.99 119.74 118.20 3ekv s LYS 20 Ca 0.31 -1.43 -0.06 0.00 0.02 0.00 0.00 55.97 54.81 3ekv s LYS 20 Cb -0.17 -0.22 -0.04 0.00 -0.52 0.00 0.00 37.83 36.89 3ekv s LYS 20 CO 0.14 -0.08 0.06 -2.00 -0.92 0.00 0.00 175.35 172.55 3ekv s GLU 21 N -3.88 3.57 0.11 1.68 2.12 -1.26 -0.94 118.70 120.10 3ekv s GLU 21 Ca 0.18 -0.31 -0.05 0.00 0.36 0.00 0.00 54.97 55.14 3ekv s GLU 21 Cb 0.06 -3.09 -0.02 0.00 0.26 0.00 0.00 34.13 31.34 3ekv s GLU 21 CO -0.00 0.51 0.14 0.00 -0.54 0.00 0.00 175.26 175.37 3ekv s ALA 22 N -0.31 0.25 -0.23 6.30 0.00 -0.18 -4.56 121.76 123.04 3ekv s ALA 22 Ca 0.09 -1.02 -0.07 0.00 0.00 0.00 0.00 51.96 50.96 3ekv s ALA 22 Cb -0.12 0.64 -0.03 0.00 0.00 0.00 0.00 23.12 23.60 3ekv s ALA 22 CO 0.02 -0.51 0.06 -1.17 0.00 0.00 0.00 175.76 174.16 3ekv s LEU 23 N -2.95 3.50 -0.25 0.00 2.96 0.13 -0.88 118.68 121.20 3ekv s LEU 23 Ca 0.13 -0.15 -0.29 0.00 -0.22 0.00 0.00 54.13 53.61 3ekv s LEU 23 Cb 0.06 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 3ekv s LEU 23 CO -0.05 0.02 1.58 -0.76 -1.32 0.00 0.00 176.35 175.82 3ekv s LEU 24 N 1.30 3.85 -0.45 -0.68 1.43 -0.20 -0.51 118.68 123.41 3ekv s LEU 24 Ca 0.05 1.51 0.02 0.00 -1.03 0.00 0.00 54.13 54.68 3ekv s LEU 24 Cb -0.15 -3.53 0.14 0.00 0.03 0.00 0.00 46.19 42.68 3ekv s LEU 24 CO 0.03 -1.28 0.25 -0.62 0.23 0.00 0.00 176.35 174.96 3ekv s ASP 25 N 4.17 3.74 0.54 2.29 -1.08 -0.50 -4.77 116.67 121.07 3ekv s ASP 25 Ca 0.70 -2.70 0.29 0.00 -0.52 0.00 0.00 52.55 50.32 3ekv s ASP 25 Cb -0.23 -1.12 1.54 0.00 -1.46 0.00 0.00 42.92 41.64 3ekv s ASP 25 CO 0.29 -0.26 2.10 0.71 0.52 0.00 0.00 175.17 178.53 3ekv h THR 26 N 5.27 0.48 0.00 1.71 1.35 -1.93 -1.65 112.91 118.14 3ekv h THR 26 Ca -0.01 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3ekv h THR 26 Cb 0.92 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 3ekv h THR 26 CO 0.51 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 3ekv n GLY 27 N -0.70 -1.14 3.58 5.82 0.00 -1.26 -4.75 105.19 106.75 3ekv n GLY 27 Ca -0.02 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 3ekv n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ekv s ALA 28 N -2.49 3.46 0.19 4.61 0.00 -0.62 -4.99 121.76 121.93 3ekv s ALA 28 Ca 0.28 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 51.20 3ekv s ALA 28 Cb 0.18 -2.29 0.11 0.00 0.00 0.00 0.00 23.12 21.13 3ekv s ALA 28 CO 0.40 -0.36 1.52 -0.44 0.00 0.00 0.00 175.76 176.88 3ekv h ASP 29 N 7.92 0.66 -2.01 0.00 3.32 -1.85 0.11 116.42 124.57 3ekv h ASP 29 Ca -0.37 -0.34 -0.57 0.00 0.02 0.00 0.00 57.03 55.78 3ekv h ASP 29 Cb 1.18 -0.19 -0.10 0.00 0.22 0.00 0.00 39.33 40.44 3ekv h ASP 29 CO 0.60 1.05 -0.61 -1.81 -1.72 0.00 0.00 179.24 176.75 3ekv s ASP 30 N -6.90 4.39 -0.22 6.45 1.01 -1.26 -2.28 116.67 117.86 3ekv s ASP 30 Ca -0.08 -0.83 -0.12 0.00 0.71 0.00 0.00 52.55 52.23 3ekv s ASP 30 Cb 0.11 -0.67 -0.05 0.00 1.01 0.00 0.00 42.92 43.33 3ekv s ASP 30 CO 0.84 -0.17 0.23 -0.89 0.21 0.00 0.00 175.17 175.39 3ekv s THR 31 N -2.44 5.32 -0.10 -1.27 2.01 -1.26 -3.40 115.64 114.51 3ekv s THR 31 Ca 0.34 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.69 3ekv s THR 31 Cb -0.03 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 68.94 3ekv s THR 31 CO 0.20 0.34 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.70 3ekv s VAL 32 N 0.96 1.01 0.06 3.82 1.01 -0.31 -1.27 120.40 125.70 3ekv s VAL 32 Ca 0.11 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 61.84 3ekv s VAL 32 Cb -0.13 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 3ekv s VAL 32 CO 0.04 0.36 -0.07 -0.76 0.00 0.00 0.00 175.10 174.67 3ekv s LEU 33 N 1.50 3.16 1.07 3.92 1.43 0.19 -0.60 118.68 129.35 3ekv s LEU 33 Ca 0.01 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 52.73 3ekv s LEU 33 Cb -0.13 -1.90 0.21 0.00 0.03 0.00 0.00 46.19 44.40 3ekv s LEU 33 CO -0.06 0.22 0.94 -0.62 0.23 0.00 0.00 176.35 177.06 3ekv n GLU 34 N 1.00 -1.60 -1.64 1.70 1.02 -1.26 -1.62 120.64 118.24 3ekv n GLU 34 Ca -0.14 -0.43 -0.53 0.00 -0.02 0.00 0.00 57.16 56.05 3ekv n GLU 34 Cb 0.52 -2.18 -0.06 0.00 -0.02 0.00 0.00 31.44 29.70 3ekv n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3ekv n GLU 35 N -4.31 1.28 -3.46 3.49 4.07 -1.25 -4.55 120.64 115.92 3ekv n GLU 35 Ca 0.06 0.46 -0.11 0.00 -0.06 0.00 0.00 57.16 57.51 3ekv n GLU 35 Cb 0.54 -2.14 -0.02 0.00 -0.06 0.00 0.00 31.44 29.76 3ekv n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3ekv s MET 36 N 1.58 1.28 -0.06 5.31 0.23 -1.26 -5.05 119.30 121.33 3ekv s MET 36 Ca 0.88 -0.49 -0.19 0.00 -1.03 0.00 0.00 55.69 54.86 3ekv s MET 36 Cb -0.95 0.57 -0.05 0.00 -1.53 0.00 0.00 34.83 32.87 3ekv s MET 36 CO 0.52 -0.56 0.54 -0.80 -2.03 0.00 0.00 175.02 172.69 3ekv s ASN 37 N -2.74 6.84 0.03 -1.18 0.02 -1.26 -5.05 114.94 111.60 3ekv s ASN 37 Ca 0.02 1.00 0.03 0.00 -1.02 0.00 0.00 52.86 52.89 3ekv s ASN 37 Cb -0.01 -2.33 -0.02 0.00 0.02 0.00 0.00 41.25 38.91 3ekv s ASN 37 CO -0.11 0.05 -0.09 -0.76 0.02 0.00 0.00 177.10 176.21 3ekv s LEU 38 N 0.20 2.19 0.67 0.60 1.43 -1.26 -5.05 118.68 117.46 3ekv s LEU 38 Ca 0.29 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 52.83 3ekv s LEU 38 Cb -0.17 -0.31 -0.01 0.00 0.03 0.00 0.00 46.19 45.74 3ekv s LEU 38 CO 0.14 -0.09 1.06 -2.16 0.23 0.00 0.00 176.35 175.53 3ekv s PRO 39 N -1.21 3.15 0.27 1.29 0.04 -1.26 -4.97 135.00 132.33 3ekv s PRO 39 Ca -0.04 0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.68 3ekv s PRO 39 Cb -0.08 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.43 3ekv s PRO 39 CO 0.01 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 176.58 3ekv n GLY 40 N -2.67 -2.45 3.77 0.56 0.00 -1.26 -4.96 105.19 98.18 3ekv n GLY 40 Ca 0.07 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 43.88 3ekv n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ekv s LYS 41 N -0.36 4.09 0.06 1.61 0.00 -1.26 -5.06 119.74 118.81 3ekv s LYS 41 Ca 0.00 1.98 -0.02 0.00 0.00 0.00 0.00 55.97 57.93 3ekv s LYS 41 Cb 0.00 -2.78 -0.03 0.00 0.00 0.00 0.00 37.83 35.02 3ekv s LYS 41 CO 0.00 -0.33 0.01 1.67 0.00 0.00 0.00 175.35 176.70 3ekv s TRP 42 N -1.32 0.45 0.02 1.78 1.48 -1.26 -4.56 118.94 115.54 3ekv s TRP 42 Ca 0.55 -0.97 0.07 0.00 -1.06 0.00 0.00 56.10 54.69 3ekv s TRP 42 Cb -0.34 -0.33 -0.02 0.00 -1.16 0.00 0.00 33.47 31.62 3ekv s TRP 42 CO 0.44 -0.40 -0.21 -1.59 -4.06 0.00 0.00 176.95 171.12 3ekv s LYS 43 N -3.84 1.51 0.27 3.25 -2.85 -0.51 -4.91 119.74 112.66 3ekv s LYS 43 Ca 0.06 -0.87 -0.30 0.00 -1.00 0.00 0.00 55.97 53.86 3ekv s LYS 43 Cb 0.07 -1.57 -0.10 0.00 -2.06 0.00 0.00 37.83 34.17 3ekv s LYS 43 CO -0.10 0.41 1.39 -2.14 0.10 0.00 0.00 175.35 175.02 3ekv s PRO 44 N -0.92 4.30 0.20 1.78 0.02 -1.26 -0.29 135.00 138.82 3ekv s PRO 44 Ca 0.08 2.26 -0.07 0.00 0.02 0.00 0.00 61.00 63.29 3ekv s PRO 44 Cb -0.09 -3.10 -0.02 0.00 0.02 0.00 0.00 34.50 31.31 3ekv s PRO 44 CO 0.01 -0.35 0.29 0.15 -0.33 0.00 0.00 177.00 176.77 3ekv s LYS 45 N -0.79 1.29 0.02 5.54 -0.14 -0.57 -4.89 119.74 120.20 3ekv s LYS 45 Ca 0.56 -1.37 0.05 0.00 -1.36 0.00 0.00 55.97 53.85 3ekv s LYS 45 Cb -0.41 0.37 -0.02 0.00 -1.68 0.00 0.00 37.83 36.09 3ekv s LYS 45 CO 0.46 -0.48 -0.16 -1.64 -0.76 0.00 0.00 175.35 172.77 3ekv s MET 46 N -4.06 1.13 0.05 1.68 -1.94 -1.26 -1.07 119.30 113.84 3ekv s MET 46 Ca 0.27 -0.71 0.03 0.00 -1.71 0.00 0.00 55.69 53.57 3ekv s MET 46 Cb 0.03 -1.14 -0.03 0.00 2.01 0.00 0.00 34.83 35.70 3ekv s MET 46 CO 0.07 0.30 -0.09 0.96 -0.01 0.00 0.00 175.02 176.25 3ekv s ILE 47 N -0.65 0.63 0.03 2.53 -4.36 -0.58 -4.97 121.20 113.84 3ekv s ILE 47 Ca 0.04 -1.18 0.03 0.00 -0.26 0.00 0.00 60.65 59.29 3ekv s ILE 47 Cb -0.07 -0.76 -0.04 0.00 1.25 0.00 0.00 42.46 42.84 3ekv s ILE 47 CO 0.01 -0.40 -0.04 -0.83 0.24 0.00 0.00 174.94 173.92 3ekv s GLY 48 N -1.72 1.82 0.00 6.27 0.00 -1.26 -0.70 107.32 111.73 3ekv s GLY 48 Ca -0.07 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.60 3ekv s GLY 48 CO 0.00 -0.95 0.00 0.61 0.00 0.00 0.00 173.10 172.77 3ekv n GLY 49 N 1.22 5.37 0.19 0.20 0.00 -0.51 -5.01 105.19 106.65 3ekv n GLY 49 Ca -0.14 -1.17 0.01 0.00 0.00 0.00 0.00 46.02 44.73 3ekv n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ekv h ILE 50 N 0.00 1.28 -0.01 -0.61 2.10 -2.02 -3.21 117.51 115.03 3ekv h ILE 50 Ca 0.00 -1.32 0.00 0.00 1.08 0.00 0.00 64.86 64.62 3ekv h ILE 50 Cb 0.00 1.66 0.00 0.00 -1.09 0.00 0.00 36.82 37.39 3ekv h ILE 50 CO 0.00 0.38 -0.39 0.61 -1.08 0.00 0.00 178.15 177.67 3ekv n GLY 51 N -0.42 0.03 0.00 8.18 0.00 -1.26 -5.08 105.19 106.65 3ekv n GLY 51 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3ekv n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ekv n GLY 52 N 1.28 0.96 3.64 -0.02 0.00 -1.22 -5.11 105.19 104.73 3ekv n GLY 52 Ca 0.08 -1.91 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 3ekv n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ekv s PHE 53 N -2.70 2.91 0.22 1.61 0.40 -1.26 -1.42 117.98 117.73 3ekv s PHE 53 Ca 0.00 -0.06 0.05 0.00 -0.60 0.00 0.00 56.93 56.32 3ekv s PHE 53 Cb 0.00 -1.52 -0.05 0.00 0.51 0.00 0.00 43.02 41.96 3ekv s PHE 53 CO 0.00 0.45 -0.07 0.96 0.70 0.00 0.00 175.22 177.26 3ekv s ILE 54 N -1.24 1.37 -0.03 0.64 -4.36 0.12 -4.97 121.20 112.73 3ekv s ILE 54 Ca 0.23 -2.10 -0.17 0.00 -0.26 0.00 0.00 60.65 58.35 3ekv s ILE 54 Cb -0.11 -2.18 -0.05 0.00 1.25 0.00 0.00 42.46 41.36 3ekv s ILE 54 CO 0.15 -0.48 0.46 -0.54 0.24 0.00 0.00 174.94 174.77 3ekv s LYS 55 N -3.75 4.13 0.18 0.37 1.02 -1.26 -1.53 119.74 118.88 3ekv s LYS 55 Ca 0.24 0.48 0.02 0.00 0.02 0.00 0.00 55.97 56.74 3ekv s LYS 55 Cb 0.03 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 33.99 3ekv s LYS 55 CO 0.07 0.49 -0.01 0.14 -0.92 0.00 0.00 175.35 175.11 3ekv s VAL 56 N -0.46 0.80 -0.22 3.17 -7.23 -0.23 -4.45 120.40 111.78 3ekv s VAL 56 Ca 0.25 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.34 3ekv s VAL 56 Cb -0.17 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 3ekv s VAL 56 CO 0.13 -0.50 0.09 -0.13 -0.31 0.00 0.00 175.10 174.39 3ekv s ARG 57 N -3.88 3.92 -0.30 4.82 0.52 0.01 -1.51 118.95 122.53 3ekv s ARG 57 Ca 0.23 -0.36 -0.15 0.00 -0.52 0.00 0.00 55.73 54.94 3ekv s ARG 57 Cb 0.06 -3.33 -0.03 0.00 0.52 0.00 0.00 34.95 32.16 3ekv s ARG 57 CO 0.04 0.09 0.35 -1.14 0.02 0.00 0.00 175.30 174.67 3ekv s GLN 58 N 0.88 3.86 -0.21 3.54 0.74 0.60 -1.27 119.66 127.81 3ekv s GLN 58 Ca 0.05 -0.15 -0.06 0.00 0.05 0.00 0.00 55.36 55.25 3ekv s GLN 58 Cb -0.13 -3.71 -0.03 0.00 1.10 0.00 0.00 33.01 30.24 3ekv s GLN 58 CO 0.03 -0.35 0.02 0.71 -0.55 0.00 0.00 175.29 175.14 3ekv s TYR 59 N 2.03 3.07 0.23 1.67 1.51 0.13 -1.42 117.35 124.56 3ekv s TYR 59 Ca 0.13 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.78 3ekv s TYR 59 Cb -0.16 -2.11 -0.05 0.00 -0.11 0.00 0.00 41.96 39.53 3ekv s TYR 59 CO 0.11 -0.21 0.45 -0.51 -1.11 0.00 0.00 175.55 174.28 3ekv s ASP 60 N 1.02 6.42 -1.42 2.29 1.01 -1.26 -0.49 116.67 124.25 3ekv s ASP 60 Ca 0.02 0.55 -0.09 0.00 0.71 0.00 0.00 52.55 53.74 3ekv s ASP 60 Cb -0.14 -2.07 0.04 0.00 1.01 0.00 0.00 42.92 41.76 3ekv s ASP 60 CO 0.02 -0.09 1.00 0.00 0.21 0.00 0.00 175.17 176.31 3ekv n GLN 61 N -0.67 -6.27 -3.45 8.23 6.02 -1.13 -4.88 117.38 115.24 3ekv n GLN 61 Ca -0.03 0.69 -0.37 0.00 -0.01 0.00 0.00 57.00 57.28 3ekv n GLN 61 Cb 0.54 -5.59 -0.07 0.00 1.02 0.00 0.00 30.24 26.14 3ekv n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3ekv s ILE 62 N -3.37 5.26 0.11 5.09 -1.09 0.16 -4.63 121.20 122.72 3ekv s ILE 62 Ca 0.48 0.71 -0.31 0.00 -2.23 0.00 0.00 60.65 59.31 3ekv s ILE 62 Cb -0.23 -3.71 -0.07 0.00 -1.58 0.00 0.00 42.46 36.87 3ekv s ILE 62 CO 0.79 0.36 1.28 -2.84 -1.23 0.00 0.00 174.94 173.30 3ekv s PRO 63 N 0.54 4.40 -0.05 2.79 0.02 -1.26 -0.81 135.00 140.62 3ekv s PRO 63 Ca 0.20 1.92 0.02 0.00 0.02 0.00 0.00 61.00 63.16 3ekv s PRO 63 Cb -0.14 -3.28 0.02 0.00 0.02 0.00 0.00 34.50 31.11 3ekv s PRO 63 CO 0.06 -0.30 -0.08 0.42 -0.33 0.00 0.00 177.00 176.78 3ekv s ILE 64 N 0.85 0.75 -0.31 2.83 1.01 0.01 -4.47 121.20 121.87 3ekv s ILE 64 Ca 0.60 -0.27 -0.17 0.00 0.00 0.00 0.00 60.65 60.81 3ekv s ILE 64 Cb -0.33 -0.72 -0.02 0.00 0.01 0.00 0.00 42.46 41.40 3ekv s ILE 64 CO 0.31 0.26 0.45 -0.70 0.00 0.00 0.00 174.94 175.27 3ekv s GLU 65 N 0.69 3.83 -0.39 2.79 2.12 -0.04 -0.87 118.70 126.83 3ekv s GLU 65 Ca -0.11 -0.03 -0.05 0.00 0.36 0.00 0.00 54.97 55.14 3ekv s GLU 65 Cb -0.14 -3.73 0.09 0.00 0.26 0.00 0.00 34.13 30.61 3ekv s GLU 65 CO 0.01 -0.45 0.18 0.42 -0.54 0.00 0.00 175.26 174.88 3ekv s ILE 66 N 2.23 3.53 -1.49 -3.70 1.01 0.18 -0.40 121.20 122.55 3ekv s ILE 66 Ca 0.17 -1.70 -0.12 0.00 0.00 0.00 0.00 60.65 59.00 3ekv s ILE 66 Cb -0.16 -3.25 0.07 0.00 0.01 0.00 0.00 42.46 39.13 3ekv s ILE 66 CO 0.11 -0.51 0.98 0.00 0.00 0.00 0.00 174.94 175.53 3ekv n GLY 68 N -1.72 0.78 3.47 0.00 0.00 -1.26 -4.99 105.19 101.47 3ekv n GLY 68 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3ekv n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ekv s HIS 69 N -2.36 2.94 -0.01 1.61 4.02 -0.29 -5.09 115.29 116.11 3ekv s HIS 69 Ca 0.00 -0.35 -0.28 0.00 1.02 0.00 0.00 55.06 55.46 3ekv s HIS 69 Cb 0.00 -1.88 -0.04 0.00 -1.02 0.00 0.00 32.58 29.65 3ekv s HIS 69 CO 0.00 -0.02 0.88 -1.59 1.02 0.00 0.00 174.74 175.03 3ekv s LYS 70 N 0.14 4.53 0.14 1.40 0.00 -1.26 0.47 119.74 125.16 3ekv s LYS 70 Ca -0.03 1.24 0.07 0.00 0.00 0.00 0.00 55.97 57.25 3ekv s LYS 70 Cb -0.14 -3.44 -0.04 0.00 0.00 0.00 0.00 37.83 34.20 3ekv s LYS 70 CO 0.04 0.02 -0.15 0.00 0.00 0.00 0.00 175.35 175.26 3ekv s ALA 71 N 0.81 1.68 -0.14 0.59 0.00 -0.05 -4.67 121.76 119.98 3ekv s ALA 71 Ca 0.47 -1.40 -0.04 0.00 0.00 0.00 0.00 51.96 50.99 3ekv s ALA 71 Cb -0.20 -0.09 0.06 0.00 0.00 0.00 0.00 23.12 22.88 3ekv s ALA 71 CO 0.25 0.11 0.10 0.42 0.00 0.00 0.00 175.76 176.64 3ekv s ILE 72 N -2.32 -0.13 0.00 0.00 1.01 -1.26 -0.81 121.20 117.69 3ekv s ILE 72 Ca 0.13 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.80 3ekv s ILE 72 Cb -0.04 -0.46 0.00 0.00 0.01 0.00 0.00 42.46 41.97 3ekv s ILE 72 CO 0.04 -0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.46 3ekv n GLY 73 N 5.29 1.38 3.70 6.18 0.00 0.01 -4.75 105.19 117.00 3ekv n GLY 73 Ca -0.06 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 3ekv n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ekv s THR 74 N -2.44 4.41 -0.09 2.61 2.01 -1.26 -0.67 115.64 120.20 3ekv s THR 74 Ca 0.00 1.72 0.03 0.00 0.31 0.00 0.00 61.69 63.75 3ekv s THR 74 Cb 0.00 -4.10 0.01 0.00 0.01 0.00 0.00 72.50 68.41 3ekv s THR 74 CO 0.00 0.07 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.13 3ekv s VAL 75 N 1.58 1.60 -0.11 3.82 1.01 0.36 -4.47 120.40 124.18 3ekv s VAL 75 Ca 0.55 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 3ekv s VAL 75 Cb -0.24 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 3ekv s VAL 75 CO 0.25 0.46 0.08 -0.76 0.00 0.00 0.00 175.10 175.13 3ekv s LEU 76 N 0.63 4.05 -0.12 3.92 1.43 -0.40 -0.69 118.68 127.51 3ekv s LEU 76 Ca -0.14 0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.30 3ekv s LEU 76 Cb -0.16 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.10 3ekv s LEU 76 CO 0.04 0.38 -0.19 -0.69 0.23 0.00 0.00 176.35 176.12 3ekv s VAL 77 N -0.87 1.75 -0.96 -1.59 1.01 -0.40 0.53 120.40 119.87 3ekv s VAL 77 Ca 0.14 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3ekv s VAL 77 Cb -0.12 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.70 3ekv s VAL 77 CO 0.03 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.23 3ekv n GLY 78 N 4.05 -1.21 2.56 4.51 0.00 -0.64 -0.81 105.19 113.66 3ekv n GLY 78 Ca -0.20 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 3ekv n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ekv n PRO 79 N 0.00 3.33 -2.95 1.61 -0.04 -1.26 -3.75 135.00 131.93 3ekv n PRO 79 Ca 0.00 -2.56 -0.35 0.00 -0.04 0.00 0.00 63.50 60.55 3ekv n PRO 79 Cb 0.00 -3.04 -0.06 0.00 -0.04 0.00 0.00 33.50 30.36 3ekv n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3ekv s THR 80 N 2.37 4.43 0.48 0.52 -1.32 -1.26 -5.00 115.64 115.86 3ekv s THR 80 Ca 0.56 1.46 0.13 0.00 -1.21 0.00 0.00 61.69 62.63 3ekv s THR 80 Cb 0.15 -3.84 0.27 0.00 -1.51 0.00 0.00 72.50 67.57 3ekv s THR 80 CO -0.07 0.06 2.12 1.55 -2.21 0.00 0.00 174.62 176.06 3ekv h PRO 81 N 2.97 0.19 -3.73 7.08 0.13 -1.97 -3.45 132.00 133.22 3ekv h PRO 81 Ca -0.48 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 3ekv h PRO 81 Cb 1.19 -0.04 -0.12 0.00 0.13 0.00 0.00 31.00 32.15 3ekv h PRO 81 CO 0.65 0.12 -0.24 0.54 -0.23 0.00 0.00 178.00 178.84 3ekv s VAL 82 N -5.22 0.07 0.06 1.56 0.11 -1.26 -5.09 120.40 110.63 3ekv s VAL 82 Ca -0.06 -1.19 -0.31 0.00 -2.93 0.00 0.00 61.98 57.50 3ekv s VAL 82 Cb 0.17 -1.68 -0.08 0.00 -1.53 0.00 0.00 36.38 33.27 3ekv s VAL 82 CO 0.69 -0.31 1.58 0.20 -3.33 0.00 0.00 175.10 173.93 3ekv s ASN 83 N -2.92 6.66 -0.07 3.54 0.01 -1.26 -4.66 114.94 116.24 3ekv s ASN 83 Ca 0.13 2.41 0.04 0.00 -0.71 0.00 0.00 52.86 54.72 3ekv s ASN 83 Cb 0.03 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.12 3ekv s ASN 83 CO -0.03 -0.84 -0.18 0.27 -1.51 0.00 0.00 177.10 174.82 3ekv s ILE 84 N 2.43 1.53 -0.34 0.60 -4.36 0.23 -0.69 121.20 120.60 3ekv s ILE 84 Ca 0.71 -0.73 -0.16 0.00 -0.26 0.00 0.00 60.65 60.21 3ekv s ILE 84 Cb -0.38 -1.34 -0.01 0.00 1.25 0.00 0.00 42.46 41.98 3ekv s ILE 84 CO 0.31 0.44 0.42 -0.63 0.24 0.00 0.00 174.94 175.72 3ekv s ILE 85 N 0.35 5.11 0.58 8.37 -1.09 0.34 -1.16 121.20 133.70 3ekv s ILE 85 Ca -0.12 0.17 0.10 0.00 -2.23 0.00 0.00 60.65 58.56 3ekv s ILE 85 Cb -0.15 -3.87 0.10 0.00 -1.58 0.00 0.00 42.46 36.95 3ekv s ILE 85 CO 0.05 -0.13 0.80 0.61 -1.23 0.00 0.00 174.94 175.04 3ekv n GLY 86 N 4.89 1.96 0.27 6.18 0.00 -1.22 -1.41 105.19 115.86 3ekv n GLY 86 Ca -0.07 -2.23 0.06 0.00 0.00 0.00 0.00 46.02 43.78 3ekv n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ekv h ARG 87 N 0.00 0.18 -0.59 1.61 3.08 -0.66 -0.72 114.38 117.29 3ekv h ARG 87 Ca -0.27 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 59.88 3ekv h ARG 87 Cb 1.24 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.22 3ekv h ARG 87 CO 0.39 0.15 0.40 -2.95 -1.07 0.00 0.00 179.97 176.89 3ekv h ASN 88 N 0.19 0.26 0.00 7.04 -1.07 -1.73 -1.16 115.58 119.11 3ekv h ASN 88 Ca 0.05 0.01 -0.33 0.00 0.07 0.00 0.00 56.30 56.10 3ekv h ASN 88 Cb 0.03 -0.04 -0.06 0.00 -2.07 0.00 0.00 38.32 36.18 3ekv h ASN 88 CO -0.01 0.15 -2.23 0.18 0.07 0.00 0.00 177.43 175.60 3ekv n LEU 89 N -4.45 0.10 -0.20 6.14 4.77 -0.73 -4.08 117.00 118.54 3ekv n LEU 89 Ca 0.10 -0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.11 3ekv n LEU 89 Cb 0.45 0.40 0.29 0.00 -2.33 0.00 0.00 43.42 42.23 3ekv n LEU 89 CO 0.34 0.45 1.23 -0.07 -1.33 0.00 0.00 177.39 178.02 3ekv h LEU 90 N 0.00 0.78 -0.92 2.23 3.38 -0.95 -1.54 115.31 118.29 3ekv h LEU 90 Ca -0.49 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.41 3ekv h LEU 90 Cb 2.09 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.64 3ekv h LEU 90 CO 0.02 0.54 0.07 0.71 0.09 0.00 0.00 178.44 179.87 3ekv h THR 91 N 0.91 1.24 -0.50 0.22 1.35 -1.41 -1.43 112.91 113.30 3ekv h THR 91 Ca 0.30 -0.94 -0.03 0.00 -0.55 0.00 0.00 66.41 65.18 3ekv h THR 91 Cb 0.05 0.76 -0.02 0.00 -1.73 0.00 0.00 68.15 67.20 3ekv h THR 91 CO -0.08 0.34 0.20 1.56 -0.25 0.00 0.00 175.52 177.28 3ekv h GLN 92 N 0.82 0.72 -0.36 4.72 4.20 -1.44 -2.64 115.11 121.13 3ekv h GLN 92 Ca 0.17 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3ekv h GLN 92 Cb 0.39 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3ekv h GLN 92 CO 0.01 0.60 0.00 0.44 -0.67 0.00 0.00 178.83 179.21 3ekv n ILE 93 N -4.35 0.47 -1.47 2.54 -5.35 -0.99 -4.93 119.36 105.29 3ekv n ILE 93 Ca 0.04 -0.56 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 3ekv n ILE 93 Cb 0.16 0.46 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 3ekv n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ekv n GLY 94 N 1.26 0.38 3.70 3.28 0.00 -0.99 -5.01 105.19 107.81 3ekv n GLY 94 Ca 0.17 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 3ekv n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ekv s THR 96 N 1.35 1.20 -0.09 0.00 -4.23 -1.26 -4.66 115.64 107.96 3ekv s THR 96 Ca 0.55 -2.03 -0.09 0.00 -1.18 0.00 0.00 61.69 58.95 3ekv s THR 96 Cb -0.25 -1.81 -0.04 0.00 1.34 0.00 0.00 72.50 71.73 3ekv s THR 96 CO 0.27 -0.71 0.21 -0.76 -0.54 0.00 0.00 174.62 173.09 3ekv s LEU 97 N -3.09 4.40 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.84 3ekv s LEU 97 Ca 0.16 0.59 0.01 0.00 -1.03 0.00 0.00 54.13 53.86 3ekv s LEU 97 Cb 0.02 -2.21 0.01 0.00 0.03 0.00 0.00 46.19 44.04 3ekv s LEU 97 CO 0.01 0.38 -0.02 0.20 0.23 0.00 0.00 176.35 177.14 3ekv s ASN 98 N -0.97 0.48 0.00 2.29 0.01 -1.26 -5.29 114.94 110.19 3ekv s ASN 98 Ca 0.17 -0.06 0.00 0.00 -0.71 0.00 0.00 52.86 52.26 3ekv s ASN 98 Cb -0.13 -0.16 0.00 0.00 0.41 0.00 0.00 41.25 41.37 3ekv s ASN 98 CO 0.06 -0.02 0.00 2.22 -1.51 0.00 0.00 177.10 177.85