#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b6m s GLN 2 N 0.00 3.37 -0.21 0.54 0.74 -1.26 -5.09 119.66 117.75 1b6m s GLN 2 Ca 0.00 -0.66 -0.06 0.00 0.05 0.00 0.00 55.36 54.70 1b6m s GLN 2 Cb 0.00 -3.24 -0.03 0.00 1.10 0.00 0.00 33.01 30.84 1b6m s GLN 2 CO 0.00 -0.28 0.02 0.42 -0.55 0.00 0.00 175.29 174.89 1b6m s ILE 3 N 1.53 4.04 0.65 -2.34 1.01 -1.26 -5.11 121.20 119.73 1b6m s ILE 3 Ca 0.05 -0.28 -0.08 0.00 0.00 0.00 0.00 60.65 60.34 1b6m s ILE 3 Cb -0.16 -2.84 0.02 0.00 0.01 0.00 0.00 42.46 39.50 1b6m s ILE 3 CO 0.01 0.41 0.99 0.42 0.00 0.00 0.00 174.94 176.77 1b6m s THR 4 N 1.12 3.32 -0.25 2.92 -4.23 -1.26 -5.02 115.64 112.23 1b6m s THR 4 Ca 0.03 0.10 0.13 0.00 -1.18 0.00 0.00 61.69 60.76 1b6m s THR 4 Cb -0.14 -3.37 0.56 0.00 1.34 0.00 0.00 72.50 70.88 1b6m s THR 4 CO 0.02 -0.42 1.51 0.18 -0.54 0.00 0.00 174.62 175.37 1b6m n LEU 5 N -2.79 4.38 0.20 4.79 4.77 -1.26 -4.53 117.00 122.56 1b6m n LEU 5 Ca 0.06 -3.34 0.06 0.00 -0.03 0.00 0.00 56.01 52.76 1b6m n LEU 5 Cb 0.58 -0.62 0.41 0.00 -2.33 0.00 0.00 43.42 41.47 1b6m n LEU 5 CO 0.54 0.91 0.74 -0.50 -1.33 0.00 0.00 177.39 177.76 1b6m h TRP 6 N 1.59 0.00 -2.61 -1.77 4.06 -2.06 -3.43 115.95 111.72 1b6m h TRP 6 Ca 0.14 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.59 1b6m h TRP 6 Cb 1.70 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.72 1b6m h TRP 6 CO 0.83 0.33 -0.69 0.15 -3.56 0.00 0.00 178.44 175.51 1b6m s LYS 7 N -3.87 1.54 0.28 0.49 1.02 -1.26 -5.10 119.74 112.84 1b6m s LYS 7 Ca -0.01 -1.77 -0.30 0.00 0.02 0.00 0.00 55.97 53.91 1b6m s LYS 7 Cb 0.12 -1.21 -0.11 0.00 -0.52 0.00 0.00 37.83 36.11 1b6m s LYS 7 CO 0.68 0.08 1.56 1.03 -0.92 0.00 0.00 175.35 177.78 1b6m s ARG 8 N -3.70 4.16 -1.12 1.68 0.52 -1.26 -4.85 118.95 114.38 1b6m s ARG 8 Ca 0.29 2.51 -0.18 0.00 -0.52 0.00 0.00 55.73 57.83 1b6m s ARG 8 Cb 0.03 -3.05 -0.06 0.00 0.52 0.00 0.00 34.95 32.39 1b6m s ARG 8 CO 0.12 -0.59 2.04 -0.35 0.02 0.00 0.00 175.30 176.54 1b6m n PRO 9 N 2.30 2.18 -3.42 3.54 -0.04 -1.26 -4.92 135.00 133.37 1b6m n PRO 9 Ca 0.08 -2.29 -0.38 0.00 -0.04 0.00 0.00 63.50 60.88 1b6m n PRO 9 Cb 0.38 -3.16 -0.06 0.00 -0.04 0.00 0.00 33.50 30.62 1b6m n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1b6m s LEU 10 N 2.39 4.36 0.12 1.53 1.43 -1.26 -1.42 118.68 125.82 1b6m s LEU 10 Ca 0.54 0.84 0.01 0.00 -1.03 0.00 0.00 54.13 54.49 1b6m s LEU 10 Cb 0.13 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 1b6m s LEU 10 CO 0.03 0.15 -0.04 0.68 0.23 0.00 0.00 176.35 177.40 1b6m s VAL 11 N -0.14 0.64 -0.06 -1.59 -7.23 -0.13 -4.94 120.40 106.94 1b6m s VAL 11 Ca 0.24 -1.94 -0.22 0.00 -1.81 0.00 0.00 61.98 58.25 1b6m s VAL 11 Cb -0.16 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 1b6m s VAL 11 CO 0.11 -0.76 0.63 -0.89 -0.31 0.00 0.00 175.10 173.88 1b6m s THR 12 N -3.67 5.04 0.23 5.32 2.01 -1.26 -0.74 115.64 122.58 1b6m s THR 12 Ca 0.15 1.30 0.10 0.00 0.31 0.00 0.00 61.69 63.56 1b6m s THR 12 Cb 0.06 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 1b6m s THR 12 CO -0.02 0.30 -0.18 0.27 -0.69 0.00 0.00 174.62 174.30 1b6m s ILE 13 N 0.54 2.10 -0.15 1.82 -4.36 0.88 -4.68 121.20 117.36 1b6m s ILE 13 Ca 0.34 -2.26 0.01 0.00 -0.26 0.00 0.00 60.65 58.48 1b6m s ILE 13 Cb -0.17 -2.14 0.02 0.00 1.25 0.00 0.00 42.46 41.42 1b6m s ILE 13 CO 0.16 -0.45 -0.16 -0.60 0.24 0.00 0.00 174.94 174.13 1b6m s ARG 14 N -3.44 2.44 -0.04 0.37 3.52 -0.25 -0.81 118.95 120.74 1b6m s ARG 14 Ca 0.25 -0.61 -0.01 0.00 -0.13 0.00 0.00 55.73 55.22 1b6m s ARG 14 Cb -0.04 -2.18 0.03 0.00 -1.56 0.00 0.00 34.95 31.21 1b6m s ARG 14 CO 0.11 -0.21 0.05 -1.50 -0.81 0.00 0.00 175.30 172.93 1b6m s ILE 15 N 1.39 -0.04 -0.96 4.11 2.07 0.16 -1.66 121.20 126.27 1b6m s ILE 15 Ca 0.04 0.34 -0.02 0.00 -1.41 0.00 0.00 60.65 59.60 1b6m s ILE 15 Cb -0.13 -0.18 0.00 0.00 0.13 0.00 0.00 42.46 42.28 1b6m s ILE 15 CO -0.10 0.17 0.25 0.61 -1.91 0.00 0.00 174.94 173.96 1b6m n GLY 16 N 5.01 -0.06 2.43 1.50 0.00 -1.26 -2.24 105.19 110.57 1b6m n GLY 16 Ca -0.09 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1b6m n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b6m n GLY 17 N -1.15 0.36 3.28 -0.02 0.00 -1.26 -5.00 105.19 101.39 1b6m n GLY 17 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 1b6m n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1b6m s GLN 18 N -0.65 2.50 0.09 1.61 0.74 -0.95 -5.13 119.66 117.87 1b6m s GLN 18 Ca 0.00 -0.90 -0.24 0.00 0.05 0.00 0.00 55.36 54.27 1b6m s GLN 18 Cb 0.00 -2.15 -0.07 0.00 1.10 0.00 0.00 33.01 31.89 1b6m s GLN 18 CO 0.00 0.41 0.73 -0.51 -0.55 0.00 0.00 175.29 175.37 1b6m s LEU 19 N -0.23 4.52 0.13 3.68 1.43 -1.26 -0.67 118.68 126.27 1b6m s LEU 19 Ca -0.02 1.48 -0.12 0.00 -1.03 0.00 0.00 54.13 54.44 1b6m s LEU 19 Cb -0.13 -3.18 0.01 0.00 0.03 0.00 0.00 46.19 42.92 1b6m s LEU 19 CO 0.03 0.14 0.30 -0.54 0.23 0.00 0.00 176.35 176.51 1b6m s LYS 20 N -0.66 1.03 -0.08 1.70 1.02 0.01 -4.99 119.74 117.78 1b6m s LYS 20 Ca 0.35 -0.92 -0.14 0.00 0.02 0.00 0.00 55.97 55.28 1b6m s LYS 20 Cb -0.21 0.40 -0.05 0.00 -0.52 0.00 0.00 37.83 37.45 1b6m s LYS 20 CO 0.23 -0.38 0.34 -1.21 -0.92 0.00 0.00 175.35 173.42 1b6m s GLU 21 N -3.87 4.01 0.03 1.68 0.41 -1.26 -0.08 118.70 119.62 1b6m s GLU 21 Ca 0.07 0.24 0.01 0.00 -0.41 0.00 0.00 54.97 54.88 1b6m s GLU 21 Cb 0.03 -3.31 -0.02 0.00 -1.78 0.00 0.00 34.13 29.05 1b6m s GLU 21 CO -0.08 0.50 -0.05 0.00 -0.49 0.00 0.00 175.26 175.14 1b6m s ALA 22 N -0.38 0.32 -0.16 5.21 0.00 0.09 -4.29 121.76 122.54 1b6m s ALA 22 Ca 0.21 -0.70 -0.15 0.00 0.00 0.00 0.00 51.96 51.31 1b6m s ALA 22 Cb -0.15 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1b6m s ALA 22 CO 0.09 -0.12 0.35 -1.17 0.00 0.00 0.00 175.76 174.90 1b6m s LEU 23 N -1.61 4.23 -0.54 0.00 2.96 0.15 -0.95 118.68 122.91 1b6m s LEU 23 Ca -0.12 0.57 -0.28 0.00 -0.22 0.00 0.00 54.13 54.08 1b6m s LEU 23 Cb -0.09 -2.47 0.03 0.00 0.50 0.00 0.00 46.19 44.17 1b6m s LEU 23 CO -0.01 0.04 1.14 -0.76 -1.32 0.00 0.00 176.35 175.44 1b6m s LEU 24 N 0.69 3.59 -0.34 -0.68 1.43 -0.51 -0.66 118.68 122.19 1b6m s LEU 24 Ca 0.19 0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1b6m s LEU 24 Cb -0.14 -3.27 0.09 0.00 0.03 0.00 0.00 46.19 42.90 1b6m s LEU 24 CO 0.06 -1.37 0.07 -0.62 0.23 0.00 0.00 176.35 174.73 1b6m s ASP 25 N 2.75 4.94 0.06 2.29 -1.08 -0.66 -4.81 116.67 120.17 1b6m s ASP 25 Ca 0.43 -1.79 0.24 0.00 -0.52 0.00 0.00 52.55 50.92 1b6m s ASP 25 Cb -0.08 -1.71 0.99 0.00 -1.46 0.00 0.00 42.92 40.66 1b6m s ASP 25 CO 0.27 -0.39 1.77 0.35 0.52 0.00 0.00 175.17 177.70 1b6m n THR 26 N 4.49 0.42 1.08 1.71 -2.24 -1.26 -2.59 114.28 115.89 1b6m n THR 26 Ca -0.05 0.03 0.12 0.00 -2.27 0.00 0.00 64.05 61.89 1b6m n THR 26 Cb 0.42 -0.70 0.32 0.00 -2.10 0.00 0.00 70.33 68.27 1b6m n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b6m n GLY 27 N 0.96 -1.07 3.66 3.38 0.00 -1.26 -4.84 105.19 106.03 1b6m n GLY 27 Ca 0.05 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 1b6m n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b6m s ALA 28 N -2.84 3.60 0.15 4.61 0.00 -1.07 -4.97 121.76 121.24 1b6m s ALA 28 Ca 0.16 -0.82 -0.09 0.00 0.00 0.00 0.00 51.96 51.20 1b6m s ALA 28 Cb 0.18 -2.37 -0.02 0.00 0.00 0.00 0.00 23.12 20.91 1b6m s ALA 28 CO 0.63 -0.20 1.45 -0.44 0.00 0.00 0.00 175.76 177.21 1b6m h ASP 29 N 7.46 0.89 -1.70 0.00 3.32 -1.88 0.18 116.42 124.69 1b6m h ASP 29 Ca -0.38 -0.46 -0.58 0.00 0.02 0.00 0.00 57.03 55.63 1b6m h ASP 29 Cb 1.17 -0.25 -0.10 0.00 0.22 0.00 0.00 39.33 40.36 1b6m h ASP 29 CO 0.67 1.23 -0.55 -1.81 -1.72 0.00 0.00 179.24 177.06 1b6m s ASP 30 N -6.92 4.25 -0.28 6.45 1.01 -1.26 -2.59 116.67 117.34 1b6m s ASP 30 Ca -0.10 -1.11 -0.12 0.00 0.71 0.00 0.00 52.55 51.93 1b6m s ASP 30 Cb 0.11 -0.48 -0.05 0.00 1.01 0.00 0.00 42.92 43.51 1b6m s ASP 30 CO 0.88 -0.43 0.23 -0.89 0.21 0.00 0.00 175.17 175.16 1b6m s THR 31 N -2.60 5.28 -0.17 -1.27 2.01 -1.26 -3.28 115.64 114.35 1b6m s THR 31 Ca 0.38 0.25 0.01 0.00 0.31 0.00 0.00 61.69 62.64 1b6m s THR 31 Cb 0.04 -3.56 0.01 0.00 0.01 0.00 0.00 72.50 69.00 1b6m s THR 31 CO 0.21 0.23 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.50 1b6m s VAL 32 N 1.82 2.29 0.11 3.82 1.01 -0.38 -0.94 120.40 128.13 1b6m s VAL 32 Ca 0.09 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.26 1b6m s VAL 32 Cb -0.16 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1b6m s VAL 32 CO 0.11 0.53 -0.07 -0.63 0.00 0.00 0.00 175.10 175.03 1b6m s ILE 33 N 1.15 3.54 0.99 2.22 -1.09 0.21 0.00 121.20 128.22 1b6m s ILE 33 Ca 0.01 -1.23 -0.11 0.00 -2.23 0.00 0.00 60.65 57.09 1b6m s ILE 33 Cb -0.14 -2.68 0.19 0.00 -1.58 0.00 0.00 42.46 38.25 1b6m s ILE 33 CO -0.08 0.09 1.09 -1.83 -1.23 0.00 0.00 174.94 172.98 1b6m s GLU 34 N -2.31 0.46 0.03 2.79 -1.05 -1.26 -1.30 118.70 116.06 1b6m s GLU 34 Ca 0.23 1.13 -0.34 0.00 -0.15 0.00 0.00 54.97 55.84 1b6m s GLU 34 Cb -0.11 -1.69 -0.13 0.00 -0.44 0.00 0.00 34.13 31.76 1b6m s GLU 34 CO 0.15 -2.88 1.71 -1.91 0.95 0.00 0.00 175.26 173.29 1b6m n GLU 35 N -4.36 2.09 -3.59 -4.83 4.07 -1.23 -4.49 120.64 108.30 1b6m n GLU 35 Ca 0.08 0.76 -0.08 0.00 -0.06 0.00 0.00 57.16 57.86 1b6m n GLU 35 Cb 0.54 -2.56 -0.02 0.00 -0.06 0.00 0.00 31.44 29.34 1b6m n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1b6m s MET 36 N 2.40 1.12 -0.29 5.31 0.23 -1.26 -5.05 119.30 121.77 1b6m s MET 36 Ca 0.86 -0.51 -0.19 0.00 -1.03 0.00 0.00 55.69 54.82 1b6m s MET 36 Cb -0.71 0.45 -0.02 0.00 -1.53 0.00 0.00 34.83 33.03 1b6m s MET 36 CO 0.45 -0.50 0.54 -0.80 -2.03 0.00 0.00 175.02 172.69 1b6m s ASN 37 N -2.71 6.43 -0.05 -1.18 0.02 -1.26 -5.06 114.94 111.13 1b6m s ASN 37 Ca 0.07 0.40 0.07 0.00 -1.02 0.00 0.00 52.86 52.38 1b6m s ASN 37 Cb -0.02 -2.29 -0.01 0.00 0.02 0.00 0.00 41.25 38.95 1b6m s ASN 37 CO -0.05 -0.37 -0.25 -0.76 0.02 0.00 0.00 177.10 175.69 1b6m s LEU 38 N 2.40 2.08 0.86 0.60 1.43 -1.26 -5.01 118.68 119.78 1b6m s LEU 38 Ca 0.22 -0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 52.71 1b6m s LEU 38 Cb -0.15 -1.37 0.11 0.00 0.03 0.00 0.00 46.19 44.81 1b6m s LEU 38 CO 0.11 0.26 1.16 -2.84 0.23 0.00 0.00 176.35 175.27 1b6m s PRO 39 N -0.28 1.37 0.00 1.29 0.02 -1.26 -4.88 135.00 131.26 1b6m s PRO 39 Ca 0.00 1.60 0.00 0.00 0.02 0.00 0.00 61.00 62.62 1b6m s PRO 39 Cb -0.13 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.63 1b6m s PRO 39 CO 0.02 -2.38 0.00 0.41 -0.33 0.00 0.00 177.00 174.72 1b6m n GLY 40 N 0.20 -0.46 3.87 0.52 0.00 -1.26 -5.00 105.19 103.07 1b6m n GLY 40 Ca 0.12 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.10 1b6m n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b6m s LYS 41 N -1.92 3.29 0.03 1.61 3.01 -1.26 -5.10 119.74 119.40 1b6m s LYS 41 Ca 0.00 0.70 -0.02 0.00 -1.01 0.00 0.00 55.97 55.64 1b6m s LYS 41 Cb 0.00 -2.05 -0.02 0.00 -1.01 0.00 0.00 37.83 34.75 1b6m s LYS 41 CO 0.00 -0.78 0.00 1.67 0.51 0.00 0.00 175.35 176.75 1b6m s TRP 42 N -3.21 0.31 -0.03 3.18 1.48 -1.26 -4.59 118.94 114.82 1b6m s TRP 42 Ca 0.56 -0.66 0.07 0.00 -1.06 0.00 0.00 56.10 55.01 1b6m s TRP 42 Cb -0.11 -0.23 -0.01 0.00 -1.16 0.00 0.00 33.47 31.95 1b6m s TRP 42 CO 0.54 -0.28 -0.24 0.15 -4.06 0.00 0.00 176.95 173.05 1b6m s LYS 43 N -2.39 2.10 0.36 3.25 -0.14 -0.76 -4.86 119.74 117.30 1b6m s LYS 43 Ca -0.07 -0.85 -0.28 0.00 -1.36 0.00 0.00 55.97 53.41 1b6m s LYS 43 Cb -0.03 -1.93 -0.10 0.00 -1.68 0.00 0.00 37.83 34.09 1b6m s LYS 43 CO -0.04 0.46 1.36 -2.14 -0.76 0.00 0.00 175.35 174.23 1b6m s PRO 44 N -0.40 4.21 0.12 -1.68 0.02 -1.26 -0.19 135.00 135.82 1b6m s PRO 44 Ca 0.05 2.32 -0.13 0.00 0.02 0.00 0.00 61.00 63.25 1b6m s PRO 44 Cb -0.11 -2.99 0.02 0.00 0.02 0.00 0.00 34.50 31.44 1b6m s PRO 44 CO 0.01 -0.35 0.32 0.21 -0.33 0.00 0.00 177.00 176.86 1b6m s LYS 45 N -1.96 1.00 -0.09 5.54 2.20 -0.17 -4.86 119.74 121.40 1b6m s LYS 45 Ca 0.51 -0.82 0.02 0.00 -0.36 0.00 0.00 55.97 55.32 1b6m s LYS 45 Cb -0.42 0.42 0.01 0.00 -1.51 0.00 0.00 37.83 36.34 1b6m s LYS 45 CO 0.55 -0.37 -0.13 -1.64 -0.36 0.00 0.00 175.35 173.40 1b6m s MET 46 N -3.83 1.94 0.16 4.03 -1.94 -1.26 -0.14 119.30 118.25 1b6m s MET 46 Ca 0.04 -0.47 0.08 0.00 -1.71 0.00 0.00 55.69 53.63 1b6m s MET 46 Cb 0.03 -1.66 -0.04 0.00 2.01 0.00 0.00 34.83 35.16 1b6m s MET 46 CO -0.11 -0.04 -0.18 0.96 -0.01 0.00 0.00 175.02 175.64 1b6m s ILE 47 N 0.92 1.74 0.05 2.53 -4.36 -0.94 -4.97 121.20 116.17 1b6m s ILE 47 Ca -0.09 -1.89 0.05 0.00 -0.26 0.00 0.00 60.65 58.46 1b6m s ILE 47 Cb -0.15 -1.80 -0.02 0.00 1.25 0.00 0.00 42.46 41.74 1b6m s ILE 47 CO 0.00 -0.34 -0.13 -0.83 0.24 0.00 0.00 174.94 173.89 1b6m s GLY 48 N -2.64 0.77 0.00 6.27 0.00 -1.26 -0.94 107.32 109.52 1b6m s GLY 48 Ca 0.15 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 44.01 1b6m s GLY 48 CO 0.06 -0.86 0.00 0.61 0.00 0.00 0.00 173.10 172.91 1b6m n GLY 49 N 1.66 5.43 3.73 0.20 0.00 -0.69 -4.97 105.19 110.55 1b6m n GLY 49 Ca -0.19 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 1b6m n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b6m s ILE 50 N 1.28 4.26 0.00 -0.61 -1.09 -1.26 -2.99 121.20 120.79 1b6m s ILE 50 Ca 0.00 1.80 0.00 0.00 -2.23 0.00 0.00 60.65 60.22 1b6m s ILE 50 Cb 0.00 -4.15 0.00 0.00 -1.58 0.00 0.00 42.46 36.73 1b6m s ILE 50 CO 0.00 0.24 0.00 0.61 -1.23 0.00 0.00 174.94 174.56 1b6m n GLY 51 N 2.48 3.20 0.00 6.18 0.00 -1.26 -4.98 105.19 110.81 1b6m n GLY 51 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1b6m n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b6m n GLY 52 N -1.06 1.01 3.88 -0.02 0.00 -1.16 -5.11 105.19 102.73 1b6m n GLY 52 Ca 0.00 -1.93 -0.34 0.00 0.00 0.00 0.00 46.02 43.75 1b6m n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b6m s PHE 53 N -1.63 3.57 0.13 1.61 0.40 -1.26 -1.70 117.98 119.10 1b6m s PHE 53 Ca 0.00 0.70 0.05 0.00 -0.60 0.00 0.00 56.93 57.07 1b6m s PHE 53 Cb 0.00 -2.09 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 1b6m s PHE 53 CO 0.00 0.55 -0.11 0.96 0.70 0.00 0.00 175.22 177.32 1b6m s ILE 54 N -1.38 1.16 -0.12 0.64 -4.36 -0.12 -4.99 121.20 112.03 1b6m s ILE 54 Ca 0.32 -1.92 -0.14 0.00 -0.26 0.00 0.00 60.65 58.64 1b6m s ILE 54 Cb -0.14 -1.70 -0.05 0.00 1.25 0.00 0.00 42.46 41.83 1b6m s ILE 54 CO 0.18 -0.65 0.33 -0.54 0.24 0.00 0.00 174.94 174.50 1b6m s LYS 55 N -3.38 4.14 0.20 0.37 1.02 -1.26 -2.22 119.74 118.62 1b6m s LYS 55 Ca 0.13 0.19 0.03 0.00 0.02 0.00 0.00 55.97 56.35 1b6m s LYS 55 Cb 0.00 -3.37 -0.05 0.00 -0.52 0.00 0.00 37.83 33.89 1b6m s LYS 55 CO 0.01 0.35 -0.02 0.14 -0.92 0.00 0.00 175.35 174.91 1b6m s VAL 56 N 0.09 0.95 -0.21 3.17 -7.23 0.80 -4.58 120.40 113.39 1b6m s VAL 56 Ca 0.19 -2.02 -0.09 0.00 -1.81 0.00 0.00 61.98 58.25 1b6m s VAL 56 Cb -0.14 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 1b6m s VAL 56 CO 0.07 -0.42 0.11 -0.13 -0.31 0.00 0.00 175.10 174.41 1b6m s ARG 57 N -3.86 4.03 -0.32 4.82 0.52 0.21 -1.00 118.95 123.35 1b6m s ARG 57 Ca 0.26 -0.30 -0.14 0.00 -0.52 0.00 0.00 55.73 55.02 1b6m s ARG 57 Cb 0.05 -3.36 -0.02 0.00 0.52 0.00 0.00 34.95 32.14 1b6m s ARG 57 CO 0.06 0.19 0.30 -1.14 0.02 0.00 0.00 175.30 174.73 1b6m s GLN 58 N 0.64 3.70 -0.19 3.54 0.74 0.73 -1.14 119.66 127.69 1b6m s GLN 58 Ca 0.06 -0.37 -0.04 0.00 0.05 0.00 0.00 55.36 55.05 1b6m s GLN 58 Cb -0.13 -3.75 -0.02 0.00 1.10 0.00 0.00 33.01 30.21 1b6m s GLN 58 CO 0.01 -0.40 -0.03 0.71 -0.55 0.00 0.00 175.29 175.03 1b6m s TYR 59 N 1.91 2.99 0.18 1.67 2.02 -0.43 -1.83 117.35 123.86 1b6m s TYR 59 Ca 0.10 -0.56 0.02 0.00 -0.37 0.00 0.00 57.07 56.26 1b6m s TYR 59 Cb -0.16 -2.03 -0.04 0.00 -0.40 0.00 0.00 41.96 39.32 1b6m s TYR 59 CO 0.11 -0.27 0.33 -0.51 -1.57 0.00 0.00 175.55 173.64 1b6m s ASP 60 N 0.91 6.34 -1.54 2.29 1.01 -1.26 -0.64 116.67 123.78 1b6m s ASP 60 Ca -0.00 0.21 -0.10 0.00 0.71 0.00 0.00 52.55 53.36 1b6m s ASP 60 Cb -0.15 -1.93 0.08 0.00 1.01 0.00 0.00 42.92 41.94 1b6m s ASP 60 CO 0.01 0.00 0.72 0.00 0.21 0.00 0.00 175.17 176.11 1b6m n GLN 61 N -0.75 -3.92 -3.22 8.23 6.02 -1.17 -4.91 117.38 117.67 1b6m n GLN 61 Ca -0.07 0.46 -0.39 0.00 -0.01 0.00 0.00 57.00 56.99 1b6m n GLN 61 Cb 0.54 -5.03 -0.06 0.00 1.02 0.00 0.00 30.24 26.72 1b6m n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1b6m s ILE 62 N -3.53 5.12 -0.01 5.09 -1.09 0.03 -4.70 121.20 122.11 1b6m s ILE 62 Ca 0.44 1.09 -0.30 0.00 -2.23 0.00 0.00 60.65 59.65 1b6m s ILE 62 Cb -0.23 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 36.72 1b6m s ILE 62 CO 0.88 0.25 1.16 -2.84 -1.23 0.00 0.00 174.94 173.16 1b6m s PRO 63 N 1.06 4.41 -0.04 2.79 0.02 -1.26 -1.69 135.00 140.29 1b6m s PRO 63 Ca 0.28 1.66 0.02 0.00 0.02 0.00 0.00 61.00 62.98 1b6m s PRO 63 Cb -0.16 -3.47 0.02 0.00 0.02 0.00 0.00 34.50 30.91 1b6m s PRO 63 CO 0.12 -0.31 -0.07 0.08 -0.33 0.00 0.00 177.00 176.48 1b6m s VAL 64 N 1.61 0.70 -0.27 3.83 1.01 0.11 -4.43 120.40 122.96 1b6m s VAL 64 Ca 0.56 -0.24 -0.08 0.00 0.00 0.00 0.00 61.98 62.21 1b6m s VAL 64 Cb -0.26 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 1b6m s VAL 64 CO 0.25 0.25 0.11 -0.70 0.00 0.00 0.00 175.10 175.01 1b6m s GLU 65 N 0.69 3.56 -0.34 2.72 2.12 -0.66 -1.45 118.70 125.34 1b6m s GLU 65 Ca -0.11 -0.55 0.07 0.00 0.36 0.00 0.00 54.97 54.74 1b6m s GLU 65 Cb -0.13 -3.44 0.51 0.00 0.26 0.00 0.00 34.13 31.32 1b6m s GLU 65 CO 0.01 -0.27 1.52 -0.89 -0.54 0.00 0.00 175.26 175.09 1b6m n ILE 66 N 4.95 2.71 0.00 -3.70 5.41 -1.26 -1.09 119.36 126.38 1b6m n ILE 66 Ca -0.15 -2.91 0.00 0.00 1.00 0.00 0.00 62.75 60.69 1b6m n ILE 66 Cb 0.51 -0.52 0.00 0.00 -0.71 0.00 0.00 39.64 38.92 1b6m n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1b6m n GLY 68 N -1.06 0.00 3.74 7.39 0.00 -1.26 -4.74 105.19 109.25 1b6m n GLY 68 Ca 0.40 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.05 1b6m n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1b6m s HIS 69 N -0.00 3.50 0.26 1.61 4.02 -1.26 -5.07 115.29 118.36 1b6m s HIS 69 Ca 0.00 0.73 -0.22 0.00 1.02 0.00 0.00 55.06 56.58 1b6m s HIS 69 Cb 0.00 -2.40 -0.09 0.00 -1.02 0.00 0.00 32.58 29.07 1b6m s HIS 69 CO 0.00 0.26 0.82 -1.59 1.02 0.00 0.00 174.74 175.24 1b6m s LYS 70 N 0.37 4.40 -0.10 1.40 0.00 -1.26 -4.35 119.74 120.20 1b6m s LYS 70 Ca 0.20 1.07 -0.17 0.00 0.00 0.00 0.00 55.97 57.07 1b6m s LYS 70 Cb -0.14 -2.85 0.04 0.00 0.00 0.00 0.00 37.83 34.88 1b6m s LYS 70 CO 0.07 0.35 0.44 0.00 0.00 0.00 0.00 175.35 176.20 1b6m s ALA 71 N -1.56 -1.09 -0.19 0.59 0.00 -0.53 -4.67 121.76 114.31 1b6m s ALA 71 Ca 0.46 0.97 -0.03 0.00 0.00 0.00 0.00 51.96 53.35 1b6m s ALA 71 Cb -0.18 -0.37 0.06 0.00 0.00 0.00 0.00 23.12 22.63 1b6m s ALA 71 CO 0.22 -0.25 0.05 0.42 0.00 0.00 0.00 175.76 176.20 1b6m s ILE 72 N -0.46 0.40 0.00 0.00 1.01 -1.26 0.08 121.20 120.95 1b6m s ILE 72 Ca -0.06 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.12 1b6m s ILE 72 Cb -0.03 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.50 1b6m s ILE 72 CO 0.03 -0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.36 1b6m n GLY 73 N 5.10 2.31 3.72 6.18 0.00 -0.68 -4.81 105.19 117.01 1b6m n GLY 73 Ca -0.08 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 1b6m n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b6m s THR 74 N -2.87 4.20 -0.09 2.61 2.01 -1.26 -0.79 115.64 119.45 1b6m s THR 74 Ca 0.00 1.68 0.02 0.00 0.31 0.00 0.00 61.69 63.70 1b6m s THR 74 Cb 0.00 -4.07 0.01 0.00 0.01 0.00 0.00 72.50 68.45 1b6m s THR 74 CO 0.00 0.18 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.28 1b6m s VAL 75 N 0.61 1.37 -0.20 3.82 1.01 0.19 -4.51 120.40 122.69 1b6m s VAL 75 Ca 0.54 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.83 1b6m s VAL 75 Cb -0.27 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 1b6m s VAL 75 CO 0.31 0.41 0.10 -0.76 0.00 0.00 0.00 175.10 175.16 1b6m s LEU 76 N 0.76 3.99 -0.19 3.92 1.43 -0.11 -1.31 118.68 127.17 1b6m s LEU 76 Ca -0.12 0.13 -0.05 0.00 -1.03 0.00 0.00 54.13 53.06 1b6m s LEU 76 Cb -0.16 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 1b6m s LEU 76 CO 0.02 0.15 -0.00 -0.69 0.23 0.00 0.00 176.35 176.06 1b6m s VAL 77 N 0.54 3.96 0.09 -1.59 1.01 -0.29 0.65 120.40 124.78 1b6m s VAL 77 Ca 0.06 -0.31 -0.25 0.00 0.00 0.00 0.00 61.98 61.47 1b6m s VAL 77 Cb -0.12 -2.78 0.08 0.00 0.00 0.00 0.00 36.38 33.56 1b6m s VAL 77 CO 0.00 0.44 1.16 -0.83 0.00 0.00 0.00 175.10 175.87 1b6m s GLY 78 N 0.90 0.02 -0.72 4.51 0.00 -0.42 -0.62 107.32 110.99 1b6m s GLY 78 Ca 0.01 -0.20 -0.26 0.00 0.00 0.00 0.00 44.72 44.28 1b6m s GLY 78 CO 0.02 4.17 2.00 2.56 0.00 0.00 0.00 173.10 181.84 1b6m s PRO 79 N -2.05 2.46 0.02 2.90 0.04 -1.26 -3.51 135.00 133.59 1b6m s PRO 79 Ca 0.26 0.36 0.03 0.00 0.04 0.00 0.00 61.00 61.69 1b6m s PRO 79 Cb -0.02 -4.69 -0.01 0.00 0.04 0.00 0.00 34.50 29.82 1b6m s PRO 79 CO 0.03 -3.17 -0.10 -0.08 0.04 0.00 0.00 177.00 173.72 1b6m s THR 80 N 10.25 0.77 0.39 1.26 -1.32 -1.26 -5.04 115.64 120.68 1b6m s THR 80 Ca 0.73 -0.69 0.13 0.00 -1.21 0.00 0.00 61.69 60.65 1b6m s THR 80 Cb -0.11 -0.70 0.11 0.00 -1.51 0.00 0.00 72.50 70.29 1b6m s THR 80 CO 0.12 0.02 1.86 1.55 -2.21 0.00 0.00 174.62 175.96 1b6m h PRO 81 N 5.35 0.01 -3.91 7.08 0.13 -1.99 -3.45 132.00 135.21 1b6m h PRO 81 Ca -0.34 -0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.64 1b6m h PRO 81 Cb 1.19 -0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.12 1b6m h PRO 81 CO 0.46 0.34 -0.63 0.54 -0.23 0.00 0.00 178.00 178.48 1b6m s VAL 82 N -4.29 0.13 -0.00 1.56 0.11 -1.26 -5.10 120.40 111.55 1b6m s VAL 82 Ca -0.03 -1.05 -0.30 0.00 -2.93 0.00 0.00 61.98 57.67 1b6m s VAL 82 Cb 0.15 -0.60 -0.05 0.00 -1.53 0.00 0.00 36.38 34.35 1b6m s VAL 82 CO 0.72 -0.58 1.26 0.20 -3.33 0.00 0.00 175.10 173.37 1b6m s ASN 83 N -1.80 7.00 -0.18 3.54 0.01 -1.26 -4.74 114.94 117.50 1b6m s ASN 83 Ca -0.10 1.97 -0.01 0.00 -0.71 0.00 0.00 52.86 54.01 1b6m s ASN 83 Cb -0.05 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.04 1b6m s ASN 83 CO -0.03 -0.59 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.22 1b6m s ILE 84 N 1.89 2.79 -0.46 0.60 1.01 0.10 0.31 121.20 127.44 1b6m s ILE 84 Ca 0.59 -0.70 -0.17 0.00 0.00 0.00 0.00 60.65 60.37 1b6m s ILE 84 Cb -0.28 -2.22 0.05 0.00 0.01 0.00 0.00 42.46 40.02 1b6m s ILE 84 CO 0.25 0.49 0.45 -0.63 0.00 0.00 0.00 174.94 175.51 1b6m s ILE 85 N 1.16 5.11 0.66 2.92 -1.09 0.16 -1.25 121.20 128.87 1b6m s ILE 85 Ca 0.01 -0.70 -0.06 0.00 -2.23 0.00 0.00 60.65 57.67 1b6m s ILE 85 Cb -0.14 -4.13 0.14 0.00 -1.58 0.00 0.00 42.46 36.75 1b6m s ILE 85 CO -0.04 -0.57 0.91 0.61 -1.23 0.00 0.00 174.94 174.62 1b6m n GLY 86 N 5.17 -0.29 0.29 6.18 0.00 -1.20 -1.65 105.19 113.69 1b6m n GLY 86 Ca -0.10 -1.87 0.11 0.00 0.00 0.00 0.00 46.02 44.17 1b6m n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1b6m h ARG 87 N 0.00 0.00 -0.36 1.61 3.08 -0.64 -1.84 114.38 116.24 1b6m h ARG 87 Ca -0.30 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.76 1b6m h ARG 87 Cb 0.95 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 1b6m h ARG 87 CO 0.26 0.00 0.24 -2.95 -1.07 0.00 0.00 179.97 176.45 1b6m h ASN 88 N 0.00 0.38 0.10 7.04 -1.07 -1.76 -1.88 115.58 118.40 1b6m h ASN 88 Ca 0.04 -0.01 -0.36 0.00 0.07 0.00 0.00 56.30 56.04 1b6m h ASN 88 Cb 0.17 -0.09 -0.06 0.00 -2.07 0.00 0.00 38.32 36.26 1b6m h ASN 88 CO -0.00 0.27 -2.25 0.18 0.07 0.00 0.00 177.43 175.70 1b6m n LEU 89 N -4.49 0.87 -0.21 6.14 4.77 -0.96 -4.18 117.00 118.96 1b6m n LEU 89 Ca 0.03 0.07 0.01 0.00 -0.03 0.00 0.00 56.01 56.08 1b6m n LEU 89 Cb 0.09 0.08 0.26 0.00 -2.33 0.00 0.00 43.42 41.51 1b6m n LEU 89 CO 0.35 0.58 1.24 -0.07 -1.33 0.00 0.00 177.39 178.16 1b6m h LEU 90 N 0.00 0.84 -1.00 2.23 3.38 -1.19 -1.85 115.31 117.73 1b6m h LEU 90 Ca -0.50 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.36 1b6m h LEU 90 Cb 2.13 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 1b6m h LEU 90 CO 0.02 0.61 -0.27 0.71 0.09 0.00 0.00 178.44 179.60 1b6m h THR 91 N 0.99 1.26 -0.18 0.22 1.35 -1.54 -2.84 112.91 112.19 1b6m h THR 91 Ca 0.27 -1.26 -0.05 0.00 -0.55 0.00 0.00 66.41 64.82 1b6m h THR 91 Cb -0.11 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 67.69 1b6m h THR 91 CO -0.06 0.39 -0.12 1.56 -0.25 0.00 0.00 175.52 177.05 1b6m h GLN 92 N 0.35 0.28 -0.59 4.72 4.20 -1.50 -2.39 115.11 120.18 1b6m h GLN 92 Ca 0.05 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1b6m h GLN 92 Cb 0.66 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1b6m h GLN 92 CO 0.05 0.41 0.00 0.44 -0.67 0.00 0.00 178.83 179.06 1b6m n ILE 93 N -4.27 0.79 -1.72 2.54 -5.35 -1.09 -4.97 119.36 105.29 1b6m n ILE 93 Ca -0.00 -0.80 0.00 0.00 -0.27 0.00 0.00 62.75 61.67 1b6m n ILE 93 Cb 0.27 0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.60 1b6m n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1b6m n GLY 94 N 1.47 -4.81 0.00 3.28 0.00 -0.90 -5.10 105.19 99.12 1b6m n GLY 94 Ca 0.20 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1b6m n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1b6m n THR 96 N 1.24 0.00 -3.85 2.61 -2.24 -1.26 -5.03 114.28 105.74 1b6m n THR 96 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 1b6m n THR 96 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 1b6m n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1b6m s LEU 97 N 0.00 4.14 -0.01 3.22 1.43 -1.26 -5.10 118.68 121.10 1b6m s LEU 97 Ca 0.00 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 1b6m s LEU 97 Cb 0.00 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 1b6m s LEU 97 CO 0.00 0.24 -0.07 0.20 0.23 0.00 0.00 176.35 176.95 1b6m s ASN 98 N -0.01 0.85 0.00 2.29 0.01 -1.26 -5.30 114.94 111.52 1b6m s ASN 98 Ca 0.09 -0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.11 1b6m s ASN 98 Cb -0.12 -0.10 0.00 0.00 0.41 0.00 0.00 41.25 41.45 1b6m s ASN 98 CO 0.00 0.09 0.00 2.22 -1.51 0.00 0.00 177.10 177.90