#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 3.33 -0.23 0.54 0.74 -1.26 -5.10 119.66 117.68 3ekv s GLN 2 Ca 0.00 -0.68 -0.01 0.00 0.05 0.00 0.00 55.36 54.72 3ekv s GLN 2 Cb 0.00 -2.62 0.03 0.00 1.10 0.00 0.00 33.01 31.52 3ekv s GLN 2 CO 0.00 0.25 -0.10 0.42 -0.55 0.00 0.00 175.29 175.30 3ekv s ILE 3 N 0.27 2.62 0.90 -2.34 1.01 -1.26 -5.11 121.20 117.29 3ekv s ILE 3 Ca -0.09 -1.03 -0.14 0.00 0.00 0.00 0.00 60.65 59.39 3ekv s ILE 3 Cb -0.16 -2.29 0.14 0.00 0.01 0.00 0.00 42.46 40.17 3ekv s ILE 3 CO 0.05 0.28 1.23 0.42 0.00 0.00 0.00 174.94 176.92 3ekv s THR 4 N 1.30 1.98 -0.14 2.92 -4.23 -1.26 -4.99 115.64 111.22 3ekv s THR 4 Ca 0.01 0.00 0.18 0.00 -1.18 0.00 0.00 61.69 60.70 3ekv s THR 4 Cb -0.16 -2.95 0.33 0.00 1.34 0.00 0.00 72.50 71.06 3ekv s THR 4 CO -0.07 0.00 1.20 0.18 -0.54 0.00 0.00 174.62 175.39 3ekv n LEU 5 N -3.62 2.62 0.07 4.79 4.77 -1.26 -4.53 117.00 119.84 3ekv n LEU 5 Ca 0.11 -3.07 0.06 0.00 -0.03 0.00 0.00 56.01 53.08 3ekv n LEU 5 Cb 0.60 -0.45 0.49 0.00 -2.33 0.00 0.00 43.42 41.73 3ekv n LEU 5 CO 0.52 0.70 1.14 -0.50 -1.33 0.00 0.00 177.39 177.92 3ekv h TRP 6 N 0.33 0.37 -2.90 -1.77 -0.00 -2.06 -3.43 115.95 106.48 3ekv h TRP 6 Ca 0.00 0.01 -0.47 0.00 -0.00 0.00 0.00 58.89 58.43 3ekv h TRP 6 Cb 1.08 -0.12 -0.14 0.00 -0.00 0.00 0.00 29.16 29.97 3ekv h TRP 6 CO 0.09 0.23 -0.59 0.15 -0.00 0.00 0.00 178.44 178.31 3ekv s LYS 7 N -5.37 1.67 0.23 0.49 1.02 -1.26 -5.11 119.74 111.41 3ekv s LYS 7 Ca -0.07 -1.94 -0.32 0.00 0.02 0.00 0.00 55.97 53.66 3ekv s LYS 7 Cb 0.17 -0.76 -0.12 0.00 -0.52 0.00 0.00 37.83 36.61 3ekv s LYS 7 CO 0.72 -0.25 1.64 0.54 -0.92 0.00 0.00 175.35 177.07 3ekv n ARG 8 N -0.70 2.62 -1.42 1.68 1.74 -1.26 -4.85 116.66 114.46 3ekv n ARG 8 Ca -0.03 0.94 -0.40 0.00 -0.77 0.00 0.00 57.85 57.59 3ekv n ARG 8 Cb 0.66 -2.74 -0.02 0.00 -1.02 0.00 0.00 32.46 29.34 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 3.13 2.52 -3.06 5.56 -0.04 -1.26 -4.93 135.00 136.92 3ekv n PRO 9 Ca 0.13 -2.23 -0.40 0.00 -0.04 0.00 0.00 63.50 60.97 3ekv n PRO 9 Cb 0.34 -3.04 -0.05 0.00 -0.04 0.00 0.00 33.50 30.71 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 1.44 4.34 0.16 1.53 1.43 -1.26 -1.04 118.68 125.28 3ekv s LEU 10 Ca 0.52 1.20 0.04 0.00 -1.03 0.00 0.00 54.13 54.86 3ekv s LEU 10 Cb 0.14 -3.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.25 3ekv s LEU 10 CO -0.02 -0.08 -0.08 0.68 0.23 0.00 0.00 176.35 177.08 3ekv s VAL 11 N 0.63 1.12 0.03 -1.59 -7.23 0.87 -4.90 120.40 109.33 3ekv s VAL 11 Ca 0.37 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 58.18 3ekv s VAL 11 Cb -0.18 -1.93 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 3ekv s VAL 11 CO 0.18 -0.68 1.05 -0.89 -0.31 0.00 0.00 175.10 174.45 3ekv s THR 12 N -3.36 4.59 0.23 5.32 2.01 -1.26 -0.24 115.64 122.94 3ekv s THR 12 Ca 0.19 1.88 0.09 0.00 0.31 0.00 0.00 61.69 64.15 3ekv s THR 12 Cb 0.03 -4.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.29 3ekv s THR 12 CO 0.02 0.15 -0.15 0.27 -0.69 0.00 0.00 174.62 174.23 3ekv s ILE 13 N 0.97 1.91 -0.06 1.82 -4.36 0.28 -1.42 121.20 120.33 3ekv s ILE 13 Ca 0.54 -2.25 0.01 0.00 -0.26 0.00 0.00 60.65 58.69 3ekv s ILE 13 Cb -0.24 -2.17 0.02 0.00 1.25 0.00 0.00 42.46 41.33 3ekv s ILE 13 CO 0.29 -0.51 -0.07 -0.60 0.24 0.00 0.00 174.94 174.29 3ekv s ARG 14 N -3.62 1.19 -0.11 0.37 3.52 -0.08 -1.51 118.95 118.71 3ekv s ARG 14 Ca 0.25 -0.22 -0.03 0.00 -0.13 0.00 0.00 55.73 55.60 3ekv s ARG 14 Cb -0.01 -1.10 0.05 0.00 -1.56 0.00 0.00 34.95 32.33 3ekv s ARG 14 CO 0.10 -0.06 0.07 -1.50 -0.81 0.00 0.00 175.30 173.10 3ekv s ILE 15 N 0.91 -0.09 -1.36 4.11 2.07 -0.79 -1.29 121.20 124.77 3ekv s ILE 15 Ca -0.11 0.12 -0.07 0.00 -1.41 0.00 0.00 60.65 59.18 3ekv s ILE 15 Cb -0.15 -0.37 0.02 0.00 0.13 0.00 0.00 42.46 42.09 3ekv s ILE 15 CO 0.01 -0.05 1.03 0.61 -1.91 0.00 0.00 174.94 174.62 3ekv n GLY 16 N 5.28 -0.46 4.03 1.50 0.00 -1.26 -1.90 105.19 112.38 3ekv n GLY 16 Ca -0.05 0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.68 -0.41 3.71 -0.02 0.00 -1.26 -4.92 105.19 100.61 3ekv n GLY 17 Ca -0.10 0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 -6.61 4.17 -0.22 1.61 -0.21 -0.80 -5.10 119.66 112.50 3ekv s GLN 18 Ca 0.64 -0.14 -0.11 0.00 0.02 0.00 0.00 55.36 55.76 3ekv s GLN 18 Cb -0.37 -3.46 -0.05 0.00 1.00 0.00 0.00 33.01 30.13 3ekv s GLN 18 CO 0.78 0.21 0.19 -0.51 -2.12 0.00 0.00 175.29 173.85 3ekv s LEU 19 N 0.61 4.15 0.21 2.90 1.43 -1.26 -1.88 118.68 124.84 3ekv s LEU 19 Ca 0.10 0.21 0.08 0.00 -1.03 0.00 0.00 54.13 53.50 3ekv s LEU 19 Cb -0.12 -2.17 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 3ekv s LEU 19 CO 0.01 0.07 -0.15 -0.54 0.23 0.00 0.00 176.35 175.98 3ekv s LYS 20 N 0.91 1.36 -0.10 1.70 1.02 -0.57 -4.98 119.74 119.08 3ekv s LYS 20 Ca 0.10 -1.60 -0.13 0.00 0.02 0.00 0.00 55.97 54.35 3ekv s LYS 20 Cb -0.13 -1.18 -0.05 0.00 -0.52 0.00 0.00 37.83 35.95 3ekv s LYS 20 CO 0.04 0.20 0.32 -1.21 -0.92 0.00 0.00 175.35 173.77 3ekv s GLU 21 N -3.62 4.02 0.02 1.68 0.41 -1.26 -0.56 118.70 119.38 3ekv s GLU 21 Ca 0.23 0.19 0.01 0.00 -0.41 0.00 0.00 54.97 54.99 3ekv s GLU 21 Cb -0.01 -3.32 -0.02 0.00 -1.78 0.00 0.00 34.13 29.00 3ekv s GLU 21 CO 0.07 0.47 -0.04 0.00 -0.49 0.00 0.00 175.26 175.28 3ekv s ALA 22 N -0.28 0.22 -0.00 5.21 0.00 0.67 -4.43 121.76 123.15 3ekv s ALA 22 Ca 0.19 -0.58 -0.30 0.00 0.00 0.00 0.00 51.96 51.28 3ekv s ALA 22 Cb -0.14 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 3ekv s ALA 22 CO 0.07 -0.11 1.22 -0.51 0.00 0.00 0.00 175.76 176.43 3ekv s LEU 23 N -1.34 4.32 -0.59 0.00 1.02 0.19 -0.09 118.68 122.20 3ekv s LEU 23 Ca -0.13 1.93 -0.28 0.00 0.02 0.00 0.00 54.13 55.67 3ekv s LEU 23 Cb -0.09 -3.57 0.03 0.00 0.02 0.00 0.00 46.19 42.58 3ekv s LEU 23 CO -0.01 -0.55 1.23 -0.76 0.02 0.00 0.00 176.35 176.29 3ekv s LEU 24 N 1.74 3.43 -0.42 1.79 1.43 -0.20 -0.12 118.68 126.33 3ekv s LEU 24 Ca 0.58 0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.82 3ekv s LEU 24 Cb -0.27 -3.12 0.11 0.00 0.03 0.00 0.00 46.19 42.94 3ekv s LEU 24 CO 0.26 -1.54 0.14 -0.62 0.23 0.00 0.00 176.35 174.82 3ekv s ASP 25 N 3.21 4.54 0.56 2.29 3.68 0.18 -4.84 116.67 126.29 3ekv s ASP 25 Ca 0.44 -2.52 0.37 0.00 2.13 0.00 0.00 52.55 52.97 3ekv s ASP 25 Cb -0.08 -1.61 1.97 0.00 -1.45 0.00 0.00 42.92 41.75 3ekv s ASP 25 CO 0.25 -0.32 2.14 0.71 0.13 0.00 0.00 175.17 178.08 3ekv h THR 26 N 6.11 0.00 -0.00 1.71 1.35 -1.94 -2.15 112.91 117.99 3ekv h THR 26 Ca -0.06 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 3ekv h THR 26 Cb 0.96 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 3ekv h THR 26 CO 0.59 0.00 -0.02 0.61 -0.25 0.00 0.00 175.52 176.45 3ekv n GLY 27 N -0.97 -1.40 3.43 5.82 0.00 -1.26 -4.80 105.19 106.01 3ekv n GLY 27 Ca -0.02 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.83 3.12 0.24 4.61 0.00 -0.81 -4.99 121.76 121.11 3ekv s ALA 28 Ca 0.20 -1.14 -0.06 0.00 0.00 0.00 0.00 51.96 50.96 3ekv s ALA 28 Cb 0.19 -2.04 0.29 0.00 0.00 0.00 0.00 23.12 21.57 3ekv s ALA 28 CO 0.51 -0.49 1.89 -0.44 0.00 0.00 0.00 175.76 177.23 3ekv h ASP 29 N 8.22 1.01 -4.44 0.00 3.32 -1.87 0.19 116.42 122.87 3ekv h ASP 29 Ca -0.39 -0.01 -0.36 0.00 0.02 0.00 0.00 57.03 56.29 3ekv h ASP 29 Cb 1.17 -0.23 -0.24 0.00 0.22 0.00 0.00 39.33 40.26 3ekv h ASP 29 CO 0.58 0.70 -0.76 -1.81 -1.72 0.00 0.00 179.24 176.22 3ekv s ASP 30 N -5.95 1.23 0.17 6.45 1.01 -1.26 -2.48 116.67 115.84 3ekv s ASP 30 Ca -0.13 -0.46 -0.31 0.00 0.71 0.00 0.00 52.55 52.36 3ekv s ASP 30 Cb 0.18 -0.04 -0.10 0.00 1.01 0.00 0.00 42.92 43.97 3ekv s ASP 30 CO 0.81 -0.06 1.51 -0.89 0.21 0.00 0.00 175.17 176.74 3ekv s THR 31 N -0.99 2.76 -0.08 -1.27 2.01 -1.26 -4.27 115.64 112.54 3ekv s THR 31 Ca -0.03 0.56 0.00 0.00 0.31 0.00 0.00 61.69 62.54 3ekv s THR 31 Cb -0.08 -3.36 0.02 0.00 0.01 0.00 0.00 72.50 69.09 3ekv s THR 31 CO 0.01 0.05 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.23 3ekv s VAL 32 N 0.90 0.88 0.10 3.82 1.01 -0.20 -0.63 120.40 126.27 3ekv s VAL 32 Ca 0.67 -0.25 0.08 0.00 0.00 0.00 0.00 61.98 62.47 3ekv s VAL 32 Cb -0.42 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 3ekv s VAL 32 CO 0.33 0.32 -0.13 -0.76 0.00 0.00 0.00 175.10 174.86 3ekv s LEU 33 N 1.30 2.89 0.73 3.92 1.43 0.13 -0.62 118.68 128.46 3ekv s LEU 33 Ca -0.04 -0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 52.46 3ekv s LEU 33 Cb -0.14 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 3ekv s LEU 33 CO -0.03 0.18 0.59 -1.84 0.23 0.00 0.00 176.35 175.49 3ekv n GLU 34 N 0.80 0.30 -1.63 1.70 0.28 -1.26 -2.01 120.64 118.83 3ekv n GLU 34 Ca -0.14 0.15 -0.54 0.00 -0.16 0.00 0.00 57.16 56.46 3ekv n GLU 34 Cb 0.52 -1.89 -0.06 0.00 1.43 0.00 0.00 31.44 31.44 3ekv n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3ekv n GLU 35 N -0.94 1.15 -3.65 3.44 4.07 -1.02 -4.55 120.64 119.13 3ekv n GLU 35 Ca 0.10 0.42 -0.15 0.00 -0.06 0.00 0.00 57.16 57.47 3ekv n GLU 35 Cb 0.50 -2.07 -0.08 0.00 -0.06 0.00 0.00 31.44 29.73 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 1.45 0.76 -1.23 5.31 0.23 -1.26 -5.02 119.30 119.54 3ekv s MET 36 Ca 0.89 0.55 -0.13 0.00 -1.03 0.00 0.00 55.69 55.97 3ekv s MET 36 Cb -0.99 0.37 0.16 0.00 -1.53 0.00 0.00 34.83 32.84 3ekv s MET 36 CO 0.53 -0.15 1.56 -1.71 -2.03 0.00 0.00 175.02 173.21 3ekv n ASN 37 N 2.15 5.17 -4.78 -1.18 5.15 -1.26 -4.99 115.26 115.51 3ekv n ASN 37 Ca -0.16 -3.00 -0.37 0.00 -0.60 0.00 0.00 54.58 50.45 3ekv n ASN 37 Cb 0.56 -1.56 -0.05 0.00 -0.53 0.00 0.00 39.78 38.20 3ekv n ASN 37 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3ekv s LEU 38 N 1.37 4.27 0.71 1.20 1.43 -1.26 -5.05 118.68 121.35 3ekv s LEU 38 Ca 0.43 2.05 -0.11 0.00 -1.03 0.00 0.00 54.13 55.47 3ekv s LEU 38 Cb 0.00 -4.03 0.02 0.00 0.03 0.00 0.00 46.19 42.21 3ekv s LEU 38 CO 0.01 -0.34 1.07 -2.16 0.23 0.00 0.00 176.35 175.16 3ekv s PRO 39 N -2.19 2.81 0.00 1.29 0.04 -1.26 -5.00 135.00 130.70 3ekv s PRO 39 Ca 0.53 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.52 3ekv s PRO 39 Cb -0.23 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3ekv s PRO 39 CO 0.30 -1.19 0.00 0.41 0.04 0.00 0.00 177.00 176.56 3ekv n GLY 40 N -1.94 0.93 3.79 0.56 0.00 -1.26 -5.03 105.19 102.24 3ekv n GLY 40 Ca 0.08 -2.22 -0.35 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.16 3.90 0.14 1.61 0.00 -1.26 -5.06 119.74 117.90 3ekv s LYS 41 Ca 0.00 1.44 -0.10 0.00 0.00 0.00 0.00 55.97 57.32 3ekv s LYS 41 Cb 0.00 -2.26 -0.00 0.00 0.00 0.00 0.00 37.83 35.57 3ekv s LYS 41 CO 0.00 -0.36 0.27 1.67 0.00 0.00 0.00 175.35 176.93 3ekv s TRP 42 N -1.84 0.26 0.02 1.78 1.48 -1.26 -4.52 118.94 114.87 3ekv s TRP 42 Ca 0.64 -0.65 0.06 0.00 -1.06 0.00 0.00 56.10 55.10 3ekv s TRP 42 Cb -0.19 -0.02 -0.02 0.00 -1.16 0.00 0.00 33.47 32.08 3ekv s TRP 42 CO 0.23 -0.67 -0.19 0.15 -4.06 0.00 0.00 176.95 172.41 3ekv s LYS 43 N -3.92 1.35 0.52 3.25 -0.14 -0.62 -4.93 119.74 115.25 3ekv s LYS 43 Ca 0.12 -0.82 -0.20 0.00 -1.36 0.00 0.00 55.97 53.71 3ekv s LYS 43 Cb 0.04 -1.39 -0.06 0.00 -1.68 0.00 0.00 37.83 34.73 3ekv s LYS 43 CO -0.04 0.36 1.14 -2.14 -0.76 0.00 0.00 175.35 173.91 3ekv s PRO 44 N -0.93 3.45 0.02 -1.68 0.02 -1.26 -0.21 135.00 134.41 3ekv s PRO 44 Ca 0.06 1.65 -0.20 0.00 0.02 0.00 0.00 61.00 62.53 3ekv s PRO 44 Cb -0.08 -2.10 0.04 0.00 0.02 0.00 0.00 34.50 32.38 3ekv s PRO 44 CO 0.01 -0.77 0.46 0.21 -0.33 0.00 0.00 177.00 176.57 3ekv s LYS 45 N -3.14 0.93 -0.06 5.54 2.20 -0.51 -4.85 119.74 119.85 3ekv s LYS 45 Ca 0.71 -0.23 0.03 0.00 -0.36 0.00 0.00 55.97 56.11 3ekv s LYS 45 Cb -0.25 0.42 -0.02 0.00 -1.51 0.00 0.00 37.83 36.47 3ekv s LYS 45 CO 0.29 -0.31 -0.14 -1.64 -0.36 0.00 0.00 175.35 173.19 3ekv s MET 46 N -2.14 2.67 0.03 4.03 -1.94 -1.26 -0.30 119.30 120.37 3ekv s MET 46 Ca -0.07 -0.69 0.03 0.00 -1.71 0.00 0.00 55.69 53.25 3ekv s MET 46 Cb -0.01 -2.43 -0.02 0.00 2.01 0.00 0.00 34.83 34.38 3ekv s MET 46 CO 0.00 0.55 -0.11 0.96 -0.01 0.00 0.00 175.02 176.42 3ekv s ILE 47 N -0.53 0.81 0.06 2.53 -4.36 -0.62 -4.98 121.20 114.11 3ekv s ILE 47 Ca 0.07 -0.82 0.06 0.00 -0.26 0.00 0.00 60.65 59.70 3ekv s ILE 47 Cb -0.12 -0.76 -0.03 0.00 1.25 0.00 0.00 42.46 42.81 3ekv s ILE 47 CO 0.01 -0.05 -0.16 -0.83 0.24 0.00 0.00 174.94 174.15 3ekv s GLY 48 N -0.97 0.93 0.00 6.27 0.00 -1.26 -0.99 107.32 111.29 3ekv s GLY 48 Ca -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.73 3ekv s GLY 48 CO 0.01 -0.97 0.00 0.61 0.00 0.00 0.00 173.10 172.75 3ekv n GLY 49 N 1.58 3.78 3.69 0.20 0.00 -0.21 -4.98 105.19 109.25 3ekv n GLY 49 Ca -0.19 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 3ekv n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ekv s ILE 50 N -0.27 2.61 0.00 -0.61 1.01 -1.26 -1.55 121.20 121.12 3ekv s ILE 50 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.81 3ekv s ILE 50 Cb 0.00 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.37 3ekv s ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.55 3ekv n GLY 51 N 4.15 1.44 0.00 6.18 0.00 -1.26 -4.94 105.19 110.76 3ekv n GLY 51 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.00 0.33 3.71 -0.02 0.00 -0.60 -5.08 105.19 101.53 3ekv n GLY 52 Ca 0.00 -2.06 -0.27 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.25 2.95 0.18 1.61 0.40 -1.26 -1.04 117.98 120.56 3ekv s PHE 53 Ca 0.00 -0.09 0.10 0.00 -0.60 0.00 0.00 56.93 56.34 3ekv s PHE 53 Cb 0.00 -1.43 -0.04 0.00 0.51 0.00 0.00 43.02 42.06 3ekv s PHE 53 CO 0.00 0.52 -0.21 0.96 0.70 0.00 0.00 175.22 177.18 3ekv s ILE 54 N -1.71 2.07 -0.05 0.64 -4.36 -0.17 -4.97 121.20 112.66 3ekv s ILE 54 Ca 0.28 -1.96 -0.21 0.00 -0.26 0.00 0.00 60.65 58.51 3ekv s ILE 54 Cb -0.10 -1.97 -0.05 0.00 1.25 0.00 0.00 42.46 41.60 3ekv s ILE 54 CO 0.20 -0.21 0.59 -0.75 0.24 0.00 0.00 174.94 175.01 3ekv s LYS 55 N -2.69 4.35 0.21 0.37 2.20 -1.26 -1.59 119.74 121.33 3ekv s LYS 55 Ca 0.18 0.69 0.04 0.00 -0.36 0.00 0.00 55.97 56.52 3ekv s LYS 55 Cb -0.07 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 3ekv s LYS 55 CO 0.08 0.23 -0.03 0.14 -0.36 0.00 0.00 175.35 175.41 3ekv s VAL 56 N 0.30 1.07 -0.22 4.02 -7.23 0.58 -4.38 120.40 114.55 3ekv s VAL 56 Ca 0.31 -2.04 -0.07 0.00 -1.81 0.00 0.00 61.98 58.37 3ekv s VAL 56 Cb -0.17 -2.22 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 3ekv s VAL 56 CO 0.16 -0.43 0.05 -0.13 -0.31 0.00 0.00 175.10 174.44 3ekv s ARG 57 N -3.83 3.71 -0.28 4.82 0.52 0.12 -1.42 118.95 122.59 3ekv s ARG 57 Ca 0.25 -0.46 -0.19 0.00 -0.52 0.00 0.00 55.73 54.81 3ekv s ARG 57 Cb 0.05 -3.24 -0.02 0.00 0.52 0.00 0.00 34.95 32.26 3ekv s ARG 57 CO 0.07 -0.04 0.58 -1.14 0.02 0.00 0.00 175.30 174.78 3ekv s GLN 58 N 1.21 4.01 -0.10 3.54 0.74 0.70 -0.99 119.66 128.76 3ekv s GLN 58 Ca 0.04 0.35 -0.01 0.00 0.05 0.00 0.00 55.36 55.79 3ekv s GLN 58 Cb -0.14 -3.68 -0.03 0.00 1.10 0.00 0.00 33.01 30.26 3ekv s GLN 58 CO 0.03 -0.45 -0.06 0.71 -0.55 0.00 0.00 175.29 174.98 3ekv s TYR 59 N 2.45 2.98 0.18 1.67 1.51 -0.36 -1.59 117.35 124.19 3ekv s TYR 59 Ca 0.23 -0.10 0.06 0.00 -1.01 0.00 0.00 57.07 56.25 3ekv s TYR 59 Cb -0.15 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.85 3ekv s TYR 59 CO 0.10 0.20 0.14 -0.51 -1.11 0.00 0.00 175.55 174.37 3ekv s ASP 60 N -0.38 5.47 -1.37 2.29 1.01 -1.26 -0.62 116.67 121.80 3ekv s ASP 60 Ca 0.06 -0.17 -0.04 0.00 0.71 0.00 0.00 52.55 53.11 3ekv s ASP 60 Cb -0.12 -1.41 0.02 0.00 1.01 0.00 0.00 42.92 42.43 3ekv s ASP 60 CO 0.02 0.05 0.78 0.00 0.21 0.00 0.00 175.17 176.23 3ekv n GLN 61 N -0.48 -5.09 -3.57 8.23 1.13 -1.08 -4.88 117.38 111.63 3ekv n GLN 61 Ca -0.08 0.61 -0.37 0.00 -1.94 0.00 0.00 57.00 55.22 3ekv n GLN 61 Cb 0.55 -5.26 -0.09 0.00 0.11 0.00 0.00 30.24 25.55 3ekv n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3ekv s ILE 62 N -3.57 5.31 0.31 5.09 -1.09 -0.29 -4.73 121.20 122.22 3ekv s ILE 62 Ca 0.20 0.33 -0.28 0.00 -2.23 0.00 0.00 60.65 58.66 3ekv s ILE 62 Cb -0.10 -3.57 -0.09 0.00 -1.58 0.00 0.00 42.46 37.12 3ekv s ILE 62 CO 0.82 0.30 1.12 -2.16 -1.23 0.00 0.00 174.94 173.79 3ekv s PRO 63 N 1.23 4.51 -0.12 2.79 0.05 -1.26 -1.84 135.00 140.36 3ekv s PRO 63 Ca 0.11 1.82 -0.08 0.00 0.05 0.00 0.00 61.00 62.89 3ekv s PRO 63 Cb -0.14 -3.06 0.04 0.00 0.05 0.00 0.00 34.50 31.39 3ekv s PRO 63 CO 0.06 0.09 0.30 -1.50 0.05 0.00 0.00 177.00 176.00 3ekv s ILE 64 N -1.24 -0.02 -0.17 0.56 2.07 -0.47 -4.61 121.20 117.32 3ekv s ILE 64 Ca 0.47 0.08 -0.06 0.00 -1.41 0.00 0.00 60.65 59.73 3ekv s ILE 64 Cb -0.32 -0.45 -0.04 0.00 0.13 0.00 0.00 42.46 41.79 3ekv s ILE 64 CO 0.41 0.03 0.04 -0.70 -1.91 0.00 0.00 174.94 172.81 3ekv s GLU 65 N 0.90 3.87 -0.26 3.50 2.12 -0.41 0.11 118.70 128.53 3ekv s GLU 65 Ca -0.06 -0.37 0.02 0.00 0.36 0.00 0.00 54.97 54.92 3ekv s GLU 65 Cb -0.07 -3.14 0.07 0.00 0.26 0.00 0.00 34.13 31.25 3ekv s GLU 65 CO -0.06 0.30 -0.07 0.42 -0.54 0.00 0.00 175.26 175.31 3ekv s ILE 66 N 0.28 1.94 -1.47 -3.70 1.01 0.11 -0.90 121.20 118.47 3ekv s ILE 66 Ca 0.02 -1.59 -0.10 0.00 0.00 0.00 0.00 60.65 58.99 3ekv s ILE 66 Cb -0.13 -2.16 0.06 0.00 0.01 0.00 0.00 42.46 40.25 3ekv s ILE 66 CO 0.01 -0.14 0.87 0.00 0.00 0.00 0.00 174.94 175.68 3ekv n GLY 68 N -1.67 1.84 3.75 0.00 0.00 -1.26 -5.03 105.19 102.82 3ekv n GLY 68 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.67 3.41 0.20 1.61 4.02 -0.08 -5.08 115.29 116.70 3ekv s HIS 69 Ca 0.00 0.31 -0.30 0.00 1.02 0.00 0.00 55.06 56.09 3ekv s HIS 69 Cb 0.00 -2.05 -0.08 0.00 -1.02 0.00 0.00 32.58 29.43 3ekv s HIS 69 CO 0.00 0.40 0.96 -1.59 1.02 0.00 0.00 174.74 175.53 3ekv s LYS 70 N -0.13 4.79 0.22 1.40 0.00 -1.26 0.06 119.74 124.81 3ekv s LYS 70 Ca 0.09 1.50 0.00 0.00 0.00 0.00 0.00 55.97 57.56 3ekv s LYS 70 Cb -0.12 -3.31 -0.05 0.00 0.00 0.00 0.00 37.83 34.36 3ekv s LYS 70 CO 0.01 0.39 0.10 0.00 0.00 0.00 0.00 175.35 175.84 3ekv s ALA 71 N -0.74 1.41 -0.26 0.59 0.00 0.12 -4.72 121.76 118.15 3ekv s ALA 71 Ca 0.43 -1.75 -0.11 0.00 0.00 0.00 0.00 51.96 50.54 3ekv s ALA 71 Cb -0.25 1.12 0.10 0.00 0.00 0.00 0.00 23.12 24.09 3ekv s ALA 71 CO 0.32 -0.50 0.60 -1.50 0.00 0.00 0.00 175.76 174.67 3ekv s ILE 72 N -3.93 -0.60 -0.67 0.00 2.07 -1.26 -1.36 121.20 115.45 3ekv s ILE 72 Ca 0.36 0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.64 3ekv s ILE 72 Cb 0.07 -0.90 0.00 0.00 0.13 0.00 0.00 42.46 41.76 3ekv s ILE 72 CO 0.11 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.77 3ekv n GLY 73 N 5.05 -0.61 3.73 1.50 0.00 -0.76 -4.82 105.19 109.28 3ekv n GLY 73 Ca -0.14 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.28 3.71 -0.09 2.61 2.01 -1.26 -1.13 115.64 118.20 3ekv s THR 74 Ca 0.00 1.42 0.01 0.00 0.31 0.00 0.00 61.69 63.43 3ekv s THR 74 Cb 0.00 -3.91 0.02 0.00 0.01 0.00 0.00 72.50 68.62 3ekv s THR 74 CO 0.00 0.22 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.36 3ekv s VAL 75 N 0.02 1.11 0.05 3.82 1.01 0.21 -4.44 120.40 122.17 3ekv s VAL 75 Ca 0.52 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.98 3ekv s VAL 75 Cb -0.31 -1.06 -0.06 0.00 0.00 0.00 0.00 36.38 34.95 3ekv s VAL 75 CO 0.35 0.36 0.40 -0.76 0.00 0.00 0.00 175.10 175.46 3ekv s LEU 76 N 1.12 4.39 -0.08 3.92 1.43 0.19 -1.22 118.68 128.43 3ekv s LEU 76 Ca -0.06 0.86 -0.00 0.00 -1.03 0.00 0.00 54.13 53.90 3ekv s LEU 76 Cb -0.14 -2.83 0.02 0.00 0.03 0.00 0.00 46.19 43.27 3ekv s LEU 76 CO -0.02 0.23 -0.04 -0.69 0.23 0.00 0.00 176.35 176.06 3ekv s VAL 77 N -1.28 0.71 0.00 -1.59 1.01 -0.16 0.17 120.40 119.25 3ekv s VAL 77 Ca 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.16 3ekv s VAL 77 Cb -0.15 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.45 3ekv s VAL 77 CO 0.16 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.18 3ekv n GLY 78 N 4.84 0.49 2.23 4.51 0.00 -0.85 0.10 105.19 116.51 3ekv n GLY 78 Ca -0.13 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.87 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 2.52 -2.75 1.61 -0.04 -1.26 -2.43 135.00 132.65 3ekv n PRO 79 Ca 0.00 -1.45 -0.38 0.00 -0.04 0.00 0.00 63.50 61.63 3ekv n PRO 79 Cb 0.00 -2.33 -0.06 0.00 -0.04 0.00 0.00 33.50 31.07 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 1.90 4.14 -1.36 0.52 -1.32 -1.26 -4.96 115.64 113.29 3ekv s THR 80 Ca 0.60 1.85 0.28 0.00 -1.21 0.00 0.00 61.69 63.20 3ekv s THR 80 Cb 0.22 -4.06 0.44 0.00 -1.51 0.00 0.00 72.50 67.59 3ekv s THR 80 CO -0.03 0.21 1.94 -0.81 -2.21 0.00 0.00 174.62 173.73 3ekv n PRO 81 N 0.74 0.33 -3.77 7.08 -0.04 -1.26 -4.64 135.00 133.44 3ekv n PRO 81 Ca 0.01 0.03 -0.13 0.00 -0.04 0.00 0.00 63.50 63.37 3ekv n PRO 81 Cb 0.49 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.34 3ekv n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3ekv s VAL 82 N -2.64 0.00 0.10 0.52 0.11 -1.26 -5.09 120.40 112.15 3ekv s VAL 82 Ca 0.24 -0.02 -0.31 0.00 -2.93 0.00 0.00 61.98 58.96 3ekv s VAL 82 Cb 0.18 -0.44 -0.07 0.00 -1.53 0.00 0.00 36.38 34.53 3ekv s VAL 82 CO 0.43 -0.01 1.30 0.20 -3.33 0.00 0.00 175.10 173.69 3ekv s ASN 83 N 0.09 6.94 -0.15 3.54 0.01 -1.26 -4.65 114.94 119.46 3ekv s ASN 83 Ca -0.01 2.21 0.00 0.00 -0.71 0.00 0.00 52.86 54.35 3ekv s ASN 83 Cb -0.02 -2.59 0.03 0.00 0.41 0.00 0.00 41.25 39.08 3ekv s ASN 83 CO 0.01 -0.56 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.31 3ekv s ILE 84 N 0.94 1.34 -0.36 0.60 1.01 0.21 -0.63 121.20 124.30 3ekv s ILE 84 Ca 0.61 -0.56 -0.19 0.00 0.00 0.00 0.00 60.65 60.51 3ekv s ILE 84 Cb -0.34 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 40.80 3ekv s ILE 84 CO 0.31 0.35 0.54 -0.63 0.00 0.00 0.00 174.94 175.51 3ekv s ILE 85 N 1.57 4.99 0.47 2.92 -1.09 0.83 -1.04 121.20 129.85 3ekv s ILE 85 Ca 0.04 0.30 0.04 0.00 -2.23 0.00 0.00 60.65 58.80 3ekv s ILE 85 Cb -0.13 -4.01 0.09 0.00 -1.58 0.00 0.00 42.46 36.83 3ekv s ILE 85 CO -0.09 -0.28 0.64 0.61 -1.23 0.00 0.00 174.94 174.59 3ekv n GLY 86 N 4.82 1.34 0.21 6.18 0.00 -1.26 -0.64 105.19 115.85 3ekv n GLY 86 Ca -0.04 -2.11 0.04 0.00 0.00 0.00 0.00 46.02 43.91 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 0.02 -0.72 1.61 3.08 -0.57 -1.38 114.38 116.41 3ekv h ARG 87 Ca -0.21 -0.00 0.15 0.00 0.07 0.00 0.00 59.98 59.98 3ekv h ARG 87 Cb 0.88 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.88 3ekv h ARG 87 CO 0.27 0.25 0.49 -2.95 -1.07 0.00 0.00 179.97 176.95 3ekv h ASN 88 N 0.02 0.35 0.00 7.04 -1.07 -1.74 -2.14 115.58 118.04 3ekv h ASN 88 Ca 0.00 0.02 -0.36 0.00 0.07 0.00 0.00 56.30 56.03 3ekv h ASN 88 Cb 0.42 -0.05 -0.07 0.00 -2.07 0.00 0.00 38.32 36.55 3ekv h ASN 88 CO 0.03 0.18 -2.36 0.18 0.07 0.00 0.00 177.43 175.53 3ekv n LEU 89 N -4.47 0.21 -0.33 6.14 4.77 -0.83 -4.37 117.00 118.13 3ekv n LEU 89 Ca 0.14 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3ekv n LEU 89 Cb 0.53 0.39 0.17 0.00 -2.33 0.00 0.00 43.42 42.18 3ekv n LEU 89 CO 0.33 0.52 1.27 -0.07 -1.33 0.00 0.00 177.39 178.12 3ekv h LEU 90 N 0.00 1.04 -1.52 2.23 3.38 -1.06 -0.92 115.31 118.46 3ekv h LEU 90 Ca -0.54 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 3ekv h LEU 90 Cb 2.19 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.67 3ekv h LEU 90 CO 0.02 0.73 0.23 0.71 0.09 0.00 0.00 178.44 180.22 3ekv h THR 91 N 1.21 1.12 -0.01 0.22 1.35 -1.61 -1.59 112.91 113.60 3ekv h THR 91 Ca 0.36 -0.30 -0.12 0.00 -0.55 0.00 0.00 66.41 65.80 3ekv h THR 91 Cb -0.05 0.57 -0.02 0.00 -1.73 0.00 0.00 68.15 66.92 3ekv h THR 91 CO -0.10 0.13 -0.55 1.56 -0.25 0.00 0.00 175.52 176.32 3ekv h GLN 92 N 0.56 0.04 -0.30 4.72 4.20 -1.37 -2.79 115.11 120.16 3ekv h GLN 92 Ca 0.15 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3ekv h GLN 92 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3ekv h GLN 92 CO -0.03 0.58 0.00 0.44 -0.67 0.00 0.00 178.83 179.15 3ekv n ILE 93 N -3.89 0.39 -1.88 2.54 -5.35 -1.03 -4.96 119.36 105.18 3ekv n ILE 93 Ca -0.01 -0.53 -0.04 0.00 -0.27 0.00 0.00 62.75 61.90 3ekv n ILE 93 Cb 0.56 0.55 -0.00 0.00 -1.74 0.00 0.00 39.64 39.01 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 1.27 0.31 3.71 3.28 0.00 -1.01 -5.01 105.19 107.74 3ekv n GLY 94 Ca 0.17 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 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 1.00 2.00 -0.06 0.00 -4.23 -1.26 -4.66 115.64 108.43 3ekv s THR 96 Ca 0.54 -2.21 -0.11 0.00 -1.18 0.00 0.00 61.69 58.72 3ekv s THR 96 Cb -0.24 -2.09 -0.05 0.00 1.34 0.00 0.00 72.50 71.46 3ekv s THR 96 CO 0.28 -0.47 0.29 -0.76 -0.54 0.00 0.00 174.62 173.42 3ekv s LEU 97 N -3.24 4.42 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.70 3ekv s LEU 97 Ca 0.24 0.72 0.00 0.00 -1.03 0.00 0.00 54.13 54.06 3ekv s LEU 97 Cb -0.03 -2.35 0.03 0.00 0.03 0.00 0.00 46.19 43.86 3ekv s LEU 97 CO 0.09 0.34 0.02 0.20 0.23 0.00 0.00 176.35 177.23 3ekv s ASN 98 N -0.92 0.25 0.00 2.29 -0.87 -1.26 -5.30 114.94 109.13 3ekv s ASN 98 Ca 0.19 0.01 0.00 0.00 -1.57 0.00 0.00 52.86 51.49 3ekv s ASN 98 Cb -0.14 -0.14 0.00 0.00 -0.02 0.00 0.00 41.25 40.94 3ekv s ASN 98 CO 0.09 -0.12 0.00 2.22 -2.57 0.00 0.00 177.10 176.72