#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3eky s GLN 2 N 0.00 2.95 -0.20 0.54 0.74 -1.26 -5.10 119.66 117.33 3eky s GLN 2 Ca 0.00 -0.73 0.01 0.00 0.05 0.00 0.00 55.36 54.69 3eky s GLN 2 Cb 0.00 -2.46 0.03 0.00 1.10 0.00 0.00 33.01 31.68 3eky s GLN 2 CO 0.00 0.38 -0.17 0.42 -0.55 0.00 0.00 175.29 175.37 3eky s ILE 3 N -0.09 2.02 0.86 -2.34 1.01 -1.26 -5.12 121.20 116.28 3eky s ILE 3 Ca -0.03 -1.07 -0.12 0.00 0.00 0.00 0.00 60.65 59.43 3eky s ILE 3 Cb -0.14 -1.91 0.11 0.00 0.01 0.00 0.00 42.46 40.53 3eky s ILE 3 CO 0.04 0.39 1.15 0.42 0.00 0.00 0.00 174.94 176.94 3eky s THR 4 N 1.27 2.11 -0.17 2.92 -4.23 -1.26 -5.02 115.64 111.26 3eky s THR 4 Ca 0.02 0.04 0.15 0.00 -1.18 0.00 0.00 61.69 60.72 3eky s THR 4 Cb -0.15 -2.89 0.37 0.00 1.34 0.00 0.00 72.50 71.17 3eky s THR 4 CO -0.11 -0.05 1.22 0.18 -0.54 0.00 0.00 174.62 175.32 3eky n LEU 5 N -3.54 2.74 -0.09 4.79 4.77 -1.26 -4.62 117.00 119.78 3eky n LEU 5 Ca 0.07 -3.41 -0.05 0.00 -0.03 0.00 0.00 56.01 52.59 3eky n LEU 5 Cb 0.60 -0.49 0.16 0.00 -2.33 0.00 0.00 43.42 41.35 3eky n LEU 5 CO 0.57 0.99 0.83 -0.50 -1.33 0.00 0.00 177.39 177.95 3eky h TRP 6 N 0.56 0.80 -1.91 -1.77 4.06 -2.06 -3.44 115.95 112.19 3eky h TRP 6 Ca 0.02 -0.13 -0.60 0.00 2.06 0.00 0.00 58.89 60.24 3eky h TRP 6 Cb 1.09 -0.21 -0.13 0.00 -1.00 0.00 0.00 29.16 28.90 3eky h TRP 6 CO 0.38 0.79 -0.61 -1.59 -3.56 0.00 0.00 178.44 173.85 3eky s LYS 7 N -4.86 1.89 0.18 0.49 -2.85 -1.26 -5.10 119.74 108.23 3eky s LYS 7 Ca -0.09 -2.06 -0.33 0.00 -1.00 0.00 0.00 55.97 52.49 3eky s LYS 7 Cb 0.14 -1.49 -0.13 0.00 -2.06 0.00 0.00 37.83 34.29 3eky s LYS 7 CO 0.81 -0.07 1.60 0.54 0.10 0.00 0.00 175.35 178.33 3eky n ARG 8 N -0.90 2.31 -1.69 1.78 1.74 -1.26 -4.83 116.66 113.81 3eky n ARG 8 Ca -0.04 0.83 -0.42 0.00 -0.77 0.00 0.00 57.85 57.45 3eky n ARG 8 Cb 0.67 -2.61 -0.02 0.00 -1.02 0.00 0.00 32.46 29.48 3eky n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3eky n PRO 9 N 3.41 2.42 -3.19 5.56 -0.04 -1.26 -4.92 135.00 136.98 3eky n PRO 9 Ca 0.16 -2.45 -0.39 0.00 -0.04 0.00 0.00 63.50 60.78 3eky n PRO 9 Cb 0.31 -3.23 -0.06 0.00 -0.04 0.00 0.00 33.50 30.48 3eky n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3eky s LEU 10 N 2.70 4.45 0.14 1.53 1.43 -1.26 -1.40 118.68 126.27 3eky s LEU 10 Ca 0.52 1.23 -0.00 0.00 -1.03 0.00 0.00 54.13 54.85 3eky s LEU 10 Cb 0.12 -2.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.34 3eky s LEU 10 CO 0.01 0.13 0.05 0.68 0.23 0.00 0.00 176.35 177.45 3eky s VAL 11 N -0.41 0.23 -0.02 -1.59 -7.23 0.16 -4.91 120.40 106.63 3eky s VAL 11 Ca 0.31 -1.93 -0.26 0.00 -1.81 0.00 0.00 61.98 58.30 3eky s VAL 11 Cb -0.19 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 3eky s VAL 11 CO 0.18 -0.44 0.80 -0.89 -0.31 0.00 0.00 175.10 174.44 3eky s THR 12 N -3.97 4.92 0.26 5.32 2.01 -1.26 -0.63 115.64 122.29 3eky s THR 12 Ca 0.25 1.67 0.11 0.00 0.31 0.00 0.00 61.69 64.03 3eky s THR 12 Cb 0.07 -4.14 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 3eky s THR 12 CO 0.03 0.25 -0.13 0.27 -0.69 0.00 0.00 174.62 174.35 3eky s ILE 13 N 0.66 2.84 -0.10 1.82 -4.36 0.10 -1.68 121.20 120.48 3eky s ILE 13 Ca 0.42 -2.17 0.02 0.00 -0.26 0.00 0.00 60.65 58.67 3eky s ILE 13 Cb -0.19 -2.48 0.01 0.00 1.25 0.00 0.00 42.46 41.04 3eky s ILE 13 CO 0.22 -0.35 -0.17 -0.60 0.24 0.00 0.00 174.94 174.28 3eky s ARG 14 N -3.45 2.37 -0.02 0.37 3.52 -0.10 -1.00 118.95 120.63 3eky s ARG 14 Ca 0.29 -0.63 0.00 0.00 -0.13 0.00 0.00 55.73 55.27 3eky s ARG 14 Cb -0.06 -1.93 0.02 0.00 -1.56 0.00 0.00 34.95 31.42 3eky s ARG 14 CO 0.16 0.01 0.00 -1.50 -0.81 0.00 0.00 175.30 173.16 3eky s ILE 15 N 0.77 0.13 -1.91 4.11 2.07 -0.42 -1.24 121.20 124.71 3eky s ILE 15 Ca -0.11 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.20 3eky s ILE 15 Cb -0.16 -0.21 0.00 0.00 0.13 0.00 0.00 42.46 42.22 3eky s ILE 15 CO 0.02 0.11 0.00 0.61 -1.91 0.00 0.00 174.94 173.77 3eky n GLY 16 N 3.87 0.70 2.65 1.50 0.00 -1.26 -1.88 105.19 110.78 3eky n GLY 16 Ca -0.24 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3eky n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3eky n GLY 17 N -0.77 0.59 3.53 -0.02 0.00 -1.26 -5.02 105.19 102.23 3eky n GLY 17 Ca -0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 3eky n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3eky s GLN 18 N -0.30 1.93 -0.06 1.61 -0.21 -0.79 -5.06 119.66 116.78 3eky s GLN 18 Ca 0.00 -1.21 -0.04 0.00 0.02 0.00 0.00 55.36 54.12 3eky s GLN 18 Cb 0.00 -2.15 -0.04 0.00 1.00 0.00 0.00 33.01 31.82 3eky s GLN 18 CO 0.00 0.46 0.15 -0.51 -2.12 0.00 0.00 175.29 173.27 3eky s LEU 19 N -2.47 4.33 0.07 2.90 1.43 -1.26 -1.31 118.68 122.37 3eky s LEU 19 Ca 0.21 0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 53.66 3eky s LEU 19 Cb -0.10 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 3eky s LEU 19 CO 0.13 0.33 0.05 -0.54 0.23 0.00 0.00 176.35 176.55 3eky s LYS 20 N -1.49 0.71 -0.16 1.70 1.02 -0.17 -4.99 119.74 116.37 3eky s LYS 20 Ca 0.21 -1.15 -0.08 0.00 0.02 0.00 0.00 55.97 54.97 3eky s LYS 20 Cb -0.12 0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 37.40 3eky s LYS 20 CO 0.11 -0.17 0.11 -1.21 -0.92 0.00 0.00 175.35 173.27 3eky s GLU 21 N -3.91 3.77 0.02 1.68 0.41 -1.26 0.02 118.70 119.43 3eky s GLU 21 Ca 0.07 -0.22 -0.04 0.00 -0.41 0.00 0.00 54.97 54.38 3eky s GLU 21 Cb 0.07 -3.25 -0.01 0.00 -1.78 0.00 0.00 34.13 29.16 3eky s GLU 21 CO -0.09 0.51 0.06 0.00 -0.49 0.00 0.00 175.26 175.25 3eky s ALA 22 N -0.28 -0.03 -0.16 5.21 0.00 0.19 -4.47 121.76 122.22 3eky s ALA 22 Ca 0.10 -0.50 -0.20 0.00 0.00 0.00 0.00 51.96 51.36 3eky s ALA 22 Cb -0.12 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 3eky s ALA 22 CO 0.01 -0.24 0.59 -1.17 0.00 0.00 0.00 175.76 174.94 3eky s LEU 23 N -1.77 4.19 -0.57 0.00 2.96 0.41 -0.67 118.68 123.23 3eky s LEU 23 Ca -0.10 0.84 -0.28 0.00 -0.22 0.00 0.00 54.13 54.37 3eky s LEU 23 Cb -0.05 -2.84 0.03 0.00 0.50 0.00 0.00 46.19 43.83 3eky s LEU 23 CO -0.02 -0.18 1.22 -0.76 -1.32 0.00 0.00 176.35 175.29 3eky s LEU 24 N 1.44 3.45 -0.36 -0.68 1.43 -0.49 0.02 118.68 123.49 3eky s LEU 24 Ca 0.28 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.58 3eky s LEU 24 Cb -0.16 -3.17 0.10 0.00 0.03 0.00 0.00 46.19 42.99 3eky s LEU 24 CO 0.11 -1.50 0.07 -0.62 0.23 0.00 0.00 176.35 174.64 3eky s ASP 25 N 3.14 4.72 0.33 2.29 3.68 -0.25 -4.83 116.67 125.75 3eky s ASP 25 Ca 0.45 -2.24 0.26 0.00 2.13 0.00 0.00 52.55 53.14 3eky s ASP 25 Cb -0.08 -1.62 1.12 0.00 -1.45 0.00 0.00 42.92 40.89 3eky s ASP 25 CO 0.26 -0.37 1.77 0.71 0.13 0.00 0.00 175.17 177.67 3eky h THR 26 N 6.50 0.00 -0.13 1.71 1.35 -1.94 -2.21 112.91 118.18 3eky h THR 26 Ca -0.04 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 3eky h THR 26 Cb 1.01 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 3eky h THR 26 CO 0.54 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 3eky n GLY 27 N -0.21 -0.09 3.39 5.82 0.00 -1.26 -4.83 105.19 108.01 3eky n GLY 27 Ca 0.01 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 3eky n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3eky s ALA 28 N -1.83 3.00 0.19 4.61 0.00 -0.83 -4.98 121.76 121.92 3eky s ALA 28 Ca 0.28 -1.13 -0.09 0.00 0.00 0.00 0.00 51.96 51.02 3eky s ALA 28 Cb 0.14 -1.89 0.09 0.00 0.00 0.00 0.00 23.12 21.46 3eky s ALA 28 CO 0.22 -0.43 1.68 -0.44 0.00 0.00 0.00 175.76 176.79 3eky h ASP 29 N 8.11 1.05 -1.92 0.00 5.19 -1.88 0.14 116.42 127.10 3eky h ASP 29 Ca -0.39 -0.26 -0.58 0.00 -0.62 0.00 0.00 57.03 55.17 3eky h ASP 29 Cb 1.17 -0.28 -0.11 0.00 0.18 0.00 0.00 39.33 40.29 3eky h ASP 29 CO 0.59 1.05 -0.61 -1.81 -3.12 0.00 0.00 179.24 175.33 3eky s ASP 30 N -6.48 4.20 -0.25 6.45 1.01 -1.26 -3.28 116.67 117.06 3eky s ASP 30 Ca -0.12 -0.98 -0.11 0.00 0.71 0.00 0.00 52.55 52.05 3eky s ASP 30 Cb 0.14 -0.54 -0.05 0.00 1.01 0.00 0.00 42.92 43.48 3eky s ASP 30 CO 0.85 -0.24 0.19 -0.89 0.21 0.00 0.00 175.17 175.29 3eky s THR 31 N -2.51 5.33 -0.16 -1.27 2.01 -1.26 -3.24 115.64 114.54 3eky s THR 31 Ca 0.35 0.21 -0.00 0.00 0.31 0.00 0.00 61.69 62.56 3eky s THR 31 Cb -0.00 -3.53 0.04 0.00 0.01 0.00 0.00 72.50 69.02 3eky s THR 31 CO 0.19 0.30 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.68 3eky s VAL 32 N 1.32 1.14 0.02 3.82 1.01 -0.44 -0.56 120.40 126.71 3eky s VAL 32 Ca 0.08 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3eky s VAL 32 Cb -0.14 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 3eky s VAL 32 CO 0.07 0.17 0.11 -0.76 0.00 0.00 0.00 175.10 174.69 3eky s LEU 33 N 1.63 4.00 0.69 3.92 1.43 0.13 -0.36 118.68 130.12 3eky s LEU 33 Ca 0.01 0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 53.10 3eky s LEU 33 Cb -0.15 -2.46 -0.01 0.00 0.03 0.00 0.00 46.19 43.60 3eky s LEU 33 CO -0.08 0.23 1.01 -0.62 0.23 0.00 0.00 176.35 177.12 3eky n GLU 34 N 0.85 0.65 -1.69 1.70 1.02 -1.26 -2.12 120.64 119.80 3eky n GLU 34 Ca -0.11 0.28 -0.61 0.00 -0.02 0.00 0.00 57.16 56.71 3eky n GLU 34 Cb 0.52 -2.25 -0.08 0.00 -0.02 0.00 0.00 31.44 29.61 3eky n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3eky n GLU 35 N -1.72 0.64 -3.79 3.49 4.07 -1.00 -4.63 120.64 117.68 3eky n GLU 35 Ca 0.14 0.23 -0.13 0.00 -0.06 0.00 0.00 57.16 57.34 3eky n GLU 35 Cb 0.49 -1.83 -0.09 0.00 -0.06 0.00 0.00 31.44 29.95 3eky n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3eky s MET 36 N 2.58 0.58 -1.29 5.31 0.23 -1.26 -5.03 119.30 120.43 3eky s MET 36 Ca 0.98 -0.19 -0.07 0.00 -1.03 0.00 0.00 55.69 55.38 3eky s MET 36 Cb -1.22 0.26 0.15 0.00 -1.53 0.00 0.00 34.83 32.49 3eky s MET 36 CO 0.68 -0.15 2.14 -1.71 -2.03 0.00 0.00 175.02 173.94 3eky n ASN 37 N 1.49 6.83 -4.74 -1.18 5.15 -1.26 -4.97 115.26 116.58 3eky n ASN 37 Ca -0.21 -3.16 -0.41 0.00 -0.60 0.00 0.00 54.58 50.20 3eky n ASN 37 Cb 0.56 -1.40 -0.03 0.00 -0.53 0.00 0.00 39.78 38.38 3eky n ASN 37 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3eky s LEU 38 N -1.48 4.44 0.82 1.20 2.96 -1.26 -5.03 118.68 120.33 3eky s LEU 38 Ca 0.47 2.34 -0.12 0.00 -0.22 0.00 0.00 54.13 56.60 3eky s LEU 38 Cb 0.15 -3.61 0.08 0.00 0.50 0.00 0.00 46.19 43.30 3eky s LEU 38 CO -0.05 -0.44 1.12 -2.16 -1.32 0.00 0.00 176.35 173.50 3eky s PRO 39 N -0.36 1.92 0.00 0.98 0.04 -1.26 -5.00 135.00 131.31 3eky s PRO 39 Ca 0.54 0.46 0.00 0.00 0.04 0.00 0.00 61.00 62.04 3eky s PRO 39 Cb -0.35 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.28 3eky s PRO 39 CO 0.39 -1.70 0.00 0.41 0.04 0.00 0.00 177.00 176.14 3eky n GLY 40 N -2.38 1.44 3.81 0.56 0.00 -1.26 -5.02 105.19 102.34 3eky n GLY 40 Ca 0.07 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 3eky n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3eky s LYS 41 N -1.81 3.52 0.18 1.61 0.00 -1.26 -5.07 119.74 116.90 3eky s LYS 41 Ca 0.00 1.21 -0.12 0.00 0.00 0.00 0.00 55.97 57.06 3eky s LYS 41 Cb 0.00 -2.06 0.01 0.00 0.00 0.00 0.00 37.83 35.77 3eky s LYS 41 CO 0.00 -0.65 0.38 1.67 0.00 0.00 0.00 175.35 176.75 3eky s TRP 42 N -2.35 0.20 0.04 1.78 1.48 -1.26 -4.66 118.94 114.16 3eky s TRP 42 Ca 0.64 -0.56 0.07 0.00 -1.06 0.00 0.00 56.10 55.19 3eky s TRP 42 Cb -0.15 0.12 -0.02 0.00 -1.16 0.00 0.00 33.47 32.25 3eky s TRP 42 CO 0.32 -0.80 -0.20 -1.59 -4.06 0.00 0.00 176.95 170.62 3eky s LYS 43 N -3.93 1.36 0.38 3.25 -2.85 -0.70 -4.89 119.74 112.36 3eky s LYS 43 Ca 0.14 -0.90 -0.27 0.00 -1.00 0.00 0.00 55.97 53.94 3eky s LYS 43 Cb 0.02 -1.45 -0.10 0.00 -2.06 0.00 0.00 37.83 34.25 3eky s LYS 43 CO -0.01 0.37 1.35 -2.14 0.10 0.00 0.00 175.35 175.02 3eky s PRO 44 N -1.10 4.07 0.02 1.78 0.02 -1.26 -0.54 135.00 137.98 3eky s PRO 44 Ca 0.07 2.28 -0.13 0.00 0.02 0.00 0.00 61.00 63.24 3eky s PRO 44 Cb -0.09 -2.87 0.02 0.00 0.02 0.00 0.00 34.50 31.58 3eky s PRO 44 CO 0.01 -0.45 0.28 0.21 -0.33 0.00 0.00 177.00 176.72 3eky s LYS 45 N -2.11 0.72 -0.11 5.54 2.20 -0.81 -4.87 119.74 120.30 3eky s LYS 45 Ca 0.54 -0.40 0.03 0.00 -0.36 0.00 0.00 55.97 55.78 3eky s LYS 45 Cb -0.41 0.31 0.01 0.00 -1.51 0.00 0.00 37.83 36.23 3eky s LYS 45 CO 0.54 -0.21 -0.20 -1.64 -0.36 0.00 0.00 175.35 173.48 3eky s MET 46 N -2.02 2.64 0.01 4.03 -1.94 -1.26 -1.14 119.30 119.62 3eky s MET 46 Ca -0.09 -0.73 0.07 0.00 -1.71 0.00 0.00 55.69 53.24 3eky s MET 46 Cb -0.03 -2.10 -0.02 0.00 2.01 0.00 0.00 34.83 34.69 3eky s MET 46 CO -0.00 0.05 -0.22 0.96 -0.01 0.00 0.00 175.02 175.80 3eky s ILE 47 N 0.65 1.76 -0.11 2.53 -4.36 -0.80 -4.95 121.20 115.91 3eky s ILE 47 Ca -0.13 -1.08 -0.03 0.00 -0.26 0.00 0.00 60.65 59.15 3eky s ILE 47 Cb -0.16 -1.49 -0.03 0.00 1.25 0.00 0.00 42.46 42.03 3eky s ILE 47 CO 0.03 0.38 -0.00 -0.83 0.24 0.00 0.00 174.94 174.76 3eky s GLY 48 N -0.83 1.83 0.00 6.27 0.00 -1.26 -1.26 107.32 112.06 3eky s GLY 48 Ca 0.09 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 44.00 3eky s GLY 48 CO 0.00 -0.38 0.00 0.61 0.00 0.00 0.00 173.10 173.34 3eky n GLY 49 N 2.63 6.21 0.28 0.20 0.00 0.83 -4.97 105.19 110.37 3eky n GLY 49 Ca -0.18 -1.96 0.05 0.00 0.00 0.00 0.00 46.02 43.93 3eky n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3eky h ILE 50 N 0.34 1.09 -0.15 -0.61 2.10 -2.03 -2.66 117.51 115.59 3eky h ILE 50 Ca 0.00 -0.27 0.00 0.00 1.08 0.00 0.00 64.86 65.67 3eky h ILE 50 Cb 0.00 0.77 0.00 0.00 -1.09 0.00 0.00 36.82 36.50 3eky h ILE 50 CO 0.00 0.11 0.00 0.61 -1.08 0.00 0.00 178.15 177.79 3eky n GLY 51 N -1.36 1.23 0.00 8.18 0.00 -1.26 -5.07 105.19 106.91 3eky n GLY 51 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3eky n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3eky n GLY 52 N 1.40 0.75 3.78 -0.02 0.00 -1.01 -5.11 105.19 104.98 3eky n GLY 52 Ca 0.16 -2.02 -0.30 0.00 0.00 0.00 0.00 46.02 43.86 3eky n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3eky s PHE 53 N -1.78 3.18 0.18 1.61 0.40 -1.26 -0.12 117.98 120.19 3eky s PHE 53 Ca 0.00 0.06 0.07 0.00 -0.60 0.00 0.00 56.93 56.46 3eky s PHE 53 Cb 0.00 -1.60 -0.04 0.00 0.51 0.00 0.00 43.02 41.88 3eky s PHE 53 CO 0.00 0.52 -0.14 0.96 0.70 0.00 0.00 175.22 177.26 3eky s ILE 54 N -1.44 1.62 -0.05 0.64 -4.36 -0.39 -4.97 121.20 112.25 3eky s ILE 54 Ca 0.29 -2.11 -0.23 0.00 -0.26 0.00 0.00 60.65 58.35 3eky s ILE 54 Cb -0.12 -1.94 -0.04 0.00 1.25 0.00 0.00 42.46 41.61 3eky s ILE 54 CO 0.22 -0.57 0.67 -0.54 0.24 0.00 0.00 174.94 174.95 3eky s LYS 55 N -3.48 4.42 0.19 0.37 1.02 -1.26 -1.91 119.74 119.09 3eky s LYS 55 Ca 0.20 0.83 0.04 0.00 0.02 0.00 0.00 55.97 57.05 3eky s LYS 55 Cb -0.01 -3.42 -0.05 0.00 -0.52 0.00 0.00 37.83 33.83 3eky s LYS 55 CO 0.05 0.14 -0.03 0.14 -0.92 0.00 0.00 175.35 174.73 3eky s VAL 56 N 0.57 1.02 -0.24 3.17 -7.23 -0.29 -4.40 120.40 113.00 3eky s VAL 56 Ca 0.36 -2.03 -0.09 0.00 -1.81 0.00 0.00 61.98 58.40 3eky s VAL 56 Cb -0.18 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 3eky s VAL 56 CO 0.18 -0.48 0.12 -0.13 -0.31 0.00 0.00 175.10 174.47 3eky s ARG 57 N -3.83 3.91 -0.35 4.82 0.52 0.76 -1.93 118.95 122.84 3eky s ARG 57 Ca 0.24 -0.36 -0.19 0.00 -0.52 0.00 0.00 55.73 54.91 3eky s ARG 57 Cb 0.05 -3.42 -0.00 0.00 0.52 0.00 0.00 34.95 32.09 3eky s ARG 57 CO 0.05 -0.00 0.54 -1.14 0.02 0.00 0.00 175.30 174.77 3eky s GLN 58 N 1.18 3.66 -0.13 3.54 0.74 0.29 -0.84 119.66 128.10 3eky s GLN 58 Ca 0.06 -0.09 -0.04 0.00 0.05 0.00 0.00 55.36 55.34 3eky s GLN 58 Cb -0.14 -3.80 -0.03 0.00 1.10 0.00 0.00 33.01 30.14 3eky s GLN 58 CO 0.05 -0.64 0.01 0.71 -0.55 0.00 0.00 175.29 174.86 3eky s TYR 59 N 2.45 3.16 0.11 1.67 1.51 -0.22 -1.72 117.35 124.32 3eky s TYR 59 Ca 0.20 0.04 0.04 0.00 -1.01 0.00 0.00 57.07 56.34 3eky s TYR 59 Cb -0.15 -1.91 -0.04 0.00 -0.11 0.00 0.00 41.96 39.75 3eky s TYR 59 CO 0.13 0.26 0.09 -0.51 -1.11 0.00 0.00 175.55 174.41 3eky s ASP 60 N -0.24 5.46 -1.36 2.29 1.01 -1.26 -0.55 116.67 122.02 3eky s ASP 60 Ca 0.06 -0.07 -0.02 0.00 0.71 0.00 0.00 52.55 53.22 3eky s ASP 60 Cb -0.12 -1.43 0.02 0.00 1.01 0.00 0.00 42.92 42.39 3eky s ASP 60 CO 0.02 0.14 0.71 0.00 0.21 0.00 0.00 175.17 176.25 3eky n GLN 61 N 0.20 -4.78 -3.43 8.23 1.13 -1.02 -4.92 117.38 112.80 3eky n GLN 61 Ca -0.09 0.59 -0.39 0.00 -1.94 0.00 0.00 57.00 55.17 3eky n GLN 61 Cb 0.53 -5.14 -0.09 0.00 0.11 0.00 0.00 30.24 25.64 3eky n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3eky s ILE 62 N -3.65 5.20 0.28 5.09 -1.09 -0.09 -4.76 121.20 122.18 3eky s ILE 62 Ca 0.11 0.51 -0.29 0.00 -2.23 0.00 0.00 60.65 58.75 3eky s ILE 62 Cb -0.06 -3.67 -0.10 0.00 -1.58 0.00 0.00 42.46 37.06 3eky s ILE 62 CO 0.83 0.19 1.35 -2.84 -1.23 0.00 0.00 174.94 173.23 3eky s PRO 63 N 1.91 4.34 0.02 2.79 0.02 -1.26 -2.20 135.00 140.62 3eky s PRO 63 Ca 0.14 2.21 -0.02 0.00 0.02 0.00 0.00 61.00 63.34 3eky s PRO 63 Cb -0.16 -3.11 -0.02 0.00 0.02 0.00 0.00 34.50 31.24 3eky s PRO 63 CO 0.10 -0.27 0.02 0.42 -0.33 0.00 0.00 177.00 176.93 3eky s ILE 64 N -0.50 0.12 -0.02 2.83 1.01 -0.44 -4.47 121.20 119.73 3eky s ILE 64 Ca 0.54 -0.97 0.05 0.00 0.00 0.00 0.00 60.65 60.27 3eky s ILE 64 Cb -0.40 -0.49 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 3eky s ILE 64 CO 0.46 -0.53 -0.16 -1.61 0.00 0.00 0.00 174.94 173.11 3eky s GLU 65 N -1.82 2.37 -0.17 2.79 2.02 -0.38 -0.34 118.70 123.18 3eky s GLU 65 Ca -0.12 -0.79 -0.00 0.00 0.02 0.00 0.00 54.97 54.08 3eky s GLU 65 Cb -0.07 -2.31 0.04 0.00 0.10 0.00 0.00 34.13 31.89 3eky s GLU 65 CO -0.02 0.60 -0.07 0.42 0.02 0.00 0.00 175.26 176.20 3eky s ILE 66 N -0.79 1.27 -1.50 -1.63 1.01 -0.21 -0.92 121.20 118.43 3eky s ILE 66 Ca 0.13 -0.69 -0.14 0.00 0.00 0.00 0.00 60.65 59.94 3eky s ILE 66 Cb -0.11 -1.39 0.11 0.00 0.01 0.00 0.00 42.46 41.09 3eky s ILE 66 CO 0.02 0.19 0.70 0.00 0.00 0.00 0.00 174.94 175.85 3eky n GLY 68 N -1.34 1.14 3.64 0.00 0.00 -1.26 -5.03 105.19 102.33 3eky n GLY 68 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3eky n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3eky s HIS 69 N -3.72 3.30 0.31 1.61 4.02 0.08 -5.07 115.29 115.81 3eky s HIS 69 Ca 0.00 0.28 -0.28 0.00 1.02 0.00 0.00 55.06 56.08 3eky s HIS 69 Cb 0.00 -2.37 -0.09 0.00 -1.02 0.00 0.00 32.58 29.10 3eky s HIS 69 CO 0.00 -0.03 1.11 0.15 1.02 0.00 0.00 174.74 176.99 3eky s LYS 70 N 1.37 4.51 0.19 1.40 1.02 -1.26 -1.05 119.74 125.92 3eky s LYS 70 Ca 0.10 1.79 -0.06 0.00 0.02 0.00 0.00 55.97 57.82 3eky s LYS 70 Cb -0.15 -3.05 -0.02 0.00 -0.52 0.00 0.00 37.83 34.09 3eky s LYS 70 CO 0.07 0.10 0.24 0.00 -0.92 0.00 0.00 175.35 174.84 3eky s ALA 71 N -1.25 0.46 -0.19 5.17 0.00 0.54 -4.75 121.76 121.74 3eky s ALA 71 Ca 0.48 -1.24 -0.10 0.00 0.00 0.00 0.00 51.96 51.10 3eky s ALA 71 Cb -0.31 1.07 0.06 0.00 0.00 0.00 0.00 23.12 23.94 3eky s ALA 71 CO 0.40 -0.65 0.45 -1.50 0.00 0.00 0.00 175.76 174.46 3eky s ILE 72 N -4.05 -0.02 -0.52 0.00 2.07 -1.26 -1.32 121.20 116.10 3eky s ILE 72 Ca 0.26 0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.58 3eky s ILE 72 Cb 0.04 -0.66 0.00 0.00 0.13 0.00 0.00 42.46 41.97 3eky s ILE 72 CO 0.06 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.73 3eky n GLY 73 N 4.26 -0.63 3.73 1.50 0.00 -0.93 -4.87 105.19 108.24 3eky n GLY 73 Ca -0.23 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 3eky n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3eky s THR 74 N -3.31 4.94 -0.10 2.61 2.01 -1.26 -0.92 115.64 119.60 3eky s THR 74 Ca 0.00 1.52 0.02 0.00 0.31 0.00 0.00 61.69 63.54 3eky s THR 74 Cb 0.00 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.45 3eky s THR 74 CO 0.00 0.29 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.39 3eky s VAL 75 N 0.49 1.41 -0.13 3.82 1.01 0.29 -4.50 120.40 122.79 3eky s VAL 75 Ca 0.38 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.67 3eky s VAL 75 Cb -0.19 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 3eky s VAL 75 CO 0.20 0.42 0.20 -0.76 0.00 0.00 0.00 175.10 175.17 3eky s LEU 76 N 0.99 4.32 -0.10 3.92 1.43 0.27 -1.05 118.68 128.46 3eky s LEU 76 Ca -0.07 0.48 0.04 0.00 -1.03 0.00 0.00 54.13 53.55 3eky s LEU 76 Cb -0.15 -2.21 -0.00 0.00 0.03 0.00 0.00 46.19 43.86 3eky s LEU 76 CO -0.01 0.27 -0.24 -0.69 0.23 0.00 0.00 176.35 175.91 3eky s VAL 77 N -0.34 2.09 -0.02 -1.59 1.01 -0.02 0.21 120.40 121.74 3eky s VAL 77 Ca 0.15 -1.01 -0.15 0.00 0.00 0.00 0.00 61.98 60.96 3eky s VAL 77 Cb -0.13 -1.79 0.05 0.00 0.00 0.00 0.00 36.38 34.51 3eky s VAL 77 CO 0.04 0.56 0.69 0.61 0.00 0.00 0.00 175.10 177.00 3eky n GLY 78 N 3.51 0.39 2.38 4.51 0.00 -0.90 -0.17 105.19 114.91 3eky n GLY 78 Ca -0.19 -0.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 3eky n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3eky n PRO 79 N -0.50 2.87 -3.18 1.61 -0.04 -1.26 -2.39 135.00 132.10 3eky n PRO 79 Ca 0.03 -1.75 -0.34 0.00 -0.04 0.00 0.00 63.50 61.39 3eky n PRO 79 Cb 0.31 -2.56 -0.06 0.00 -0.04 0.00 0.00 33.50 31.15 3eky n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3eky s THR 80 N 2.48 4.69 -1.07 0.52 -1.32 -1.26 -4.99 115.64 114.69 3eky s THR 80 Ca 0.57 1.01 0.25 0.00 -1.21 0.00 0.00 61.69 62.31 3eky s THR 80 Cb 0.16 -3.73 0.24 0.00 -1.51 0.00 0.00 72.50 67.67 3eky s THR 80 CO -0.04 0.05 1.79 -0.81 -2.21 0.00 0.00 174.62 173.40 3eky n PRO 81 N 0.27 0.06 -3.76 7.08 -0.04 -1.26 -4.60 135.00 132.74 3eky n PRO 81 Ca -0.00 0.07 -0.13 0.00 -0.04 0.00 0.00 63.50 63.40 3eky n PRO 81 Cb 0.52 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 3eky n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3eky s VAL 82 N -2.93 0.01 0.06 0.52 0.11 -1.26 -5.06 120.40 111.85 3eky s VAL 82 Ca 0.14 -0.05 -0.31 0.00 -2.93 0.00 0.00 61.98 58.84 3eky s VAL 82 Cb 0.16 -0.46 -0.06 0.00 -1.53 0.00 0.00 36.38 34.49 3eky s VAL 82 CO 0.44 -0.03 1.30 0.20 -3.33 0.00 0.00 175.10 173.69 3eky s ASN 83 N 0.03 6.94 -0.16 3.54 0.01 -1.26 -4.50 114.94 119.54 3eky s ASN 83 Ca -0.01 2.14 0.01 0.00 -0.71 0.00 0.00 52.86 54.28 3eky s ASN 83 Cb -0.03 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.08 3eky s ASN 83 CO 0.01 -0.59 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.23 3eky s ILE 84 N 1.38 1.70 -0.36 0.60 1.01 0.52 -0.45 121.20 125.60 3eky s ILE 84 Ca 0.62 -0.73 -0.19 0.00 0.00 0.00 0.00 60.65 60.35 3eky s ILE 84 Cb -0.32 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 40.57 3eky s ILE 84 CO 0.29 0.47 0.57 -0.63 0.00 0.00 0.00 174.94 175.63 3eky s ILE 85 N 1.43 4.95 0.63 2.92 -1.09 0.10 -1.33 121.20 128.82 3eky s ILE 85 Ca 0.05 0.39 0.04 0.00 -2.23 0.00 0.00 60.65 58.89 3eky s ILE 85 Cb -0.13 -4.03 0.12 0.00 -1.58 0.00 0.00 42.46 36.84 3eky s ILE 85 CO -0.11 -0.29 0.87 0.61 -1.23 0.00 0.00 174.94 174.79 3eky n GLY 86 N 4.78 1.24 0.26 6.18 0.00 -1.20 -1.09 105.19 115.36 3eky n GLY 86 Ca -0.03 -2.12 0.11 0.00 0.00 0.00 0.00 46.02 43.98 3eky n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3eky h ARG 87 N 0.00 0.00 -0.66 1.61 3.08 -0.80 -1.63 114.38 115.98 3eky h ARG 87 Ca -0.29 0.00 0.11 0.00 0.07 0.00 0.00 59.98 59.87 3eky h ARG 87 Cb 1.18 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.19 3eky h ARG 87 CO 0.35 0.10 0.44 -2.95 -1.07 0.00 0.00 179.97 176.85 3eky h ASN 88 N 0.00 0.39 0.00 7.04 -1.07 -1.81 -2.56 115.58 117.58 3eky h ASN 88 Ca -0.00 0.01 -0.35 0.00 0.07 0.00 0.00 56.30 56.03 3eky h ASN 88 Cb 0.24 -0.07 -0.07 0.00 -2.07 0.00 0.00 38.32 36.35 3eky h ASN 88 CO 0.01 0.23 -2.32 0.18 0.07 0.00 0.00 177.43 175.61 3eky n LEU 89 N -4.47 0.09 -0.13 6.14 4.77 -0.79 -4.37 117.00 118.24 3eky n LEU 89 Ca 0.11 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3eky n LEU 89 Cb 0.41 0.43 0.27 0.00 -2.33 0.00 0.00 43.42 42.21 3eky n LEU 89 CO 0.34 0.49 1.13 -0.07 -1.33 0.00 0.00 177.39 177.94 3eky h LEU 90 N 0.00 0.72 -0.93 2.23 3.38 -1.15 -1.94 115.31 117.63 3eky h LEU 90 Ca -0.52 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.35 3eky h LEU 90 Cb 2.17 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.71 3eky h LEU 90 CO 0.02 0.59 0.26 0.71 0.09 0.00 0.00 178.44 180.12 3eky h THR 91 N 0.82 1.24 -0.09 0.22 1.35 -1.68 -1.87 112.91 112.90 3eky h THR 91 Ca 0.21 -0.79 -0.06 0.00 -0.55 0.00 0.00 66.41 65.22 3eky h THR 91 Cb 0.04 0.43 -0.01 0.00 -1.73 0.00 0.00 68.15 66.88 3eky h THR 91 CO -0.03 0.31 -0.23 1.56 -0.25 0.00 0.00 175.52 176.88 3eky h GLN 92 N 1.02 0.16 -0.33 4.72 4.20 -1.56 -2.18 115.11 121.14 3eky h GLN 92 Ca 0.23 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3eky h GLN 92 Cb 0.22 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3eky h GLN 92 CO -0.02 0.39 0.00 0.44 -0.67 0.00 0.00 178.83 178.97 3eky n ILE 93 N -4.21 0.43 -1.86 2.54 -5.35 -1.10 -4.94 119.36 104.88 3eky n ILE 93 Ca -0.01 -0.53 -0.05 0.00 -0.27 0.00 0.00 62.75 61.88 3eky n ILE 93 Cb 0.33 0.46 -0.01 0.00 -1.74 0.00 0.00 39.64 38.68 3eky n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3eky n GLY 94 N 1.24 0.31 3.73 3.28 0.00 -0.82 -5.00 105.19 107.93 3eky n GLY 94 Ca 0.16 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 3eky n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3eky s THR 96 N 0.12 1.25 0.01 0.00 -4.23 -1.26 -4.70 115.64 106.83 3eky s THR 96 Ca 0.48 -2.02 -0.14 0.00 -1.18 0.00 0.00 61.69 58.84 3eky s THR 96 Cb -0.24 -1.81 -0.06 0.00 1.34 0.00 0.00 72.50 71.74 3eky s THR 96 CO 0.30 -0.68 0.40 -0.76 -0.54 0.00 0.00 174.62 173.35 3eky s LEU 97 N -3.06 4.45 -0.05 4.79 1.43 -1.26 -5.10 118.68 119.89 3eky s LEU 97 Ca 0.16 0.93 -0.02 0.00 -1.03 0.00 0.00 54.13 54.17 3eky s LEU 97 Cb 0.01 -2.64 0.04 0.00 0.03 0.00 0.00 46.19 43.62 3eky s LEU 97 CO 0.02 0.30 0.10 0.20 0.23 0.00 0.00 176.35 177.20 3eky s ASN 98 N -1.19 -0.04 0.00 2.29 -0.87 -1.26 -5.30 114.94 108.57 3eky s ASN 98 Ca 0.25 0.20 0.00 0.00 -1.57 0.00 0.00 52.86 51.74 3eky s ASN 98 Cb -0.16 0.09 0.00 0.00 -0.02 0.00 0.00 41.25 41.16 3eky s ASN 98 CO 0.14 -0.14 0.00 2.22 -2.57 0.00 0.00 177.10 176.75