#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4l s GLN 2 N 0.00 3.31 -0.20 0.54 0.74 -1.26 -5.10 119.66 117.68 1d4l s GLN 2 Ca 0.00 -0.67 -0.05 0.00 0.05 0.00 0.00 55.36 54.69 1d4l s GLN 2 Cb 0.00 -2.86 -0.02 0.00 1.10 0.00 0.00 33.01 31.22 1d4l s GLN 2 CO 0.00 -0.13 -0.00 0.42 -0.55 0.00 0.00 175.29 175.02 1d4l s ILE 3 N 1.25 3.90 0.65 -2.34 1.01 -1.26 -5.10 121.20 119.31 1d4l s ILE 3 Ca 0.03 -0.33 -0.07 0.00 0.00 0.00 0.00 60.65 60.28 1d4l s ILE 3 Cb -0.14 -2.76 0.03 0.00 0.01 0.00 0.00 42.46 39.59 1d4l s ILE 3 CO -0.04 0.43 0.98 0.42 0.00 0.00 0.00 174.94 176.72 1d4l s THR 4 N 1.05 3.11 -0.23 2.92 -4.23 -1.26 -5.02 115.64 111.98 1d4l s THR 4 Ca 0.02 -0.03 0.14 0.00 -1.18 0.00 0.00 61.69 60.64 1d4l s THR 4 Cb -0.14 -3.29 0.52 0.00 1.34 0.00 0.00 72.50 70.93 1d4l s THR 4 CO 0.01 -0.31 1.45 0.18 -0.54 0.00 0.00 174.62 175.41 1d4l n LEU 5 N -2.78 4.03 0.09 4.79 4.77 -1.26 -4.55 117.00 122.09 1d4l n LEU 5 Ca 0.06 -3.32 0.02 0.00 -0.03 0.00 0.00 56.01 52.75 1d4l n LEU 5 Cb 0.59 -0.59 0.38 0.00 -2.33 0.00 0.00 43.42 41.47 1d4l n LEU 5 CO 0.53 0.90 0.93 -0.50 -1.33 0.00 0.00 177.39 177.92 1d4l h TRP 6 N 1.43 0.33 -2.86 -1.77 4.06 -2.06 -3.43 115.95 111.65 1d4l h TRP 6 Ca 0.10 -0.03 -0.45 0.00 2.06 0.00 0.00 58.89 60.57 1d4l h TRP 6 Cb 1.56 -0.10 -0.14 0.00 -1.00 0.00 0.00 29.16 29.48 1d4l h TRP 6 CO 0.71 0.39 -0.70 0.15 -3.56 0.00 0.00 178.44 175.43 1d4l s LYS 7 N -4.85 1.40 0.19 0.49 1.02 -1.26 -5.10 119.74 111.63 1d4l s LYS 7 Ca -0.06 -1.67 -0.33 0.00 0.02 0.00 0.00 55.97 53.93 1d4l s LYS 7 Cb 0.16 -1.06 -0.13 0.00 -0.52 0.00 0.00 37.83 36.28 1d4l s LYS 7 CO 0.74 0.09 1.58 0.54 -0.92 0.00 0.00 175.35 177.38 1d4l n ARG 8 N -0.45 2.27 -1.96 1.68 1.74 -1.26 -4.85 116.66 113.82 1d4l n ARG 8 Ca -0.07 0.82 -0.38 0.00 -0.77 0.00 0.00 57.85 57.44 1d4l n ARG 8 Cb 0.62 -2.58 -0.03 0.00 -1.02 0.00 0.00 32.46 29.44 1d4l n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1d4l n PRO 9 N 3.26 2.29 -3.52 5.56 -0.04 -1.26 -4.95 135.00 136.34 1d4l n PRO 9 Ca 0.16 -2.61 -0.38 0.00 -0.04 0.00 0.00 63.50 60.64 1d4l n PRO 9 Cb 0.30 -3.41 -0.06 0.00 -0.04 0.00 0.00 33.50 30.29 1d4l n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1d4l s LEU 10 N 5.28 4.39 0.21 1.53 1.43 -1.26 -0.65 118.68 129.61 1d4l s LEU 10 Ca 0.58 0.79 -0.00 0.00 -1.03 0.00 0.00 54.13 54.47 1d4l s LEU 10 Cb 0.07 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 1d4l s LEU 10 CO 0.07 0.24 0.11 0.68 0.23 0.00 0.00 176.35 177.68 1d4l s VAL 11 N -0.48 0.19 -0.06 -1.59 -7.23 0.65 -4.91 120.40 106.97 1d4l s VAL 11 Ca 0.22 -1.99 -0.19 0.00 -1.81 0.00 0.00 61.98 58.21 1d4l s VAL 11 Cb -0.15 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.25 1d4l s VAL 11 CO 0.10 -0.05 0.52 -0.89 -0.31 0.00 0.00 175.10 174.46 1d4l s THR 12 N -4.02 5.06 0.23 5.32 2.01 -1.26 -0.39 115.64 122.60 1d4l s THR 12 Ca 0.37 1.06 0.09 0.00 0.31 0.00 0.00 61.69 63.52 1d4l s THR 12 Cb 0.07 -3.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 1d4l s THR 12 CO 0.11 0.39 -0.17 0.27 -0.69 0.00 0.00 174.62 174.54 1d4l s ILE 13 N 0.11 2.01 -0.14 1.82 -4.36 0.40 -4.66 121.20 116.38 1d4l s ILE 13 Ca 0.28 -2.28 0.01 0.00 -0.26 0.00 0.00 60.65 58.40 1d4l s ILE 13 Cb -0.16 -2.13 0.02 0.00 1.25 0.00 0.00 42.46 41.43 1d4l s ILE 13 CO 0.13 -0.52 -0.17 -0.60 0.24 0.00 0.00 174.94 174.03 1d4l s ARG 14 N -3.57 2.52 -0.10 0.37 3.52 0.15 -1.36 118.95 120.48 1d4l s ARG 14 Ca 0.25 -0.65 -0.05 0.00 -0.13 0.00 0.00 55.73 55.15 1d4l s ARG 14 Cb -0.02 -2.18 0.05 0.00 -1.56 0.00 0.00 34.95 31.23 1d4l s ARG 14 CO 0.10 -0.15 0.23 -1.50 -0.81 0.00 0.00 175.30 173.17 1d4l s ILE 15 N 1.21 -0.07 -1.50 4.11 2.07 0.46 -1.02 121.20 126.45 1d4l s ILE 15 Ca -0.00 0.17 -0.06 0.00 -1.41 0.00 0.00 60.65 59.35 1d4l s ILE 15 Cb -0.14 -0.36 0.01 0.00 0.13 0.00 0.00 42.46 42.10 1d4l s ILE 15 CO -0.07 0.07 0.81 0.61 -1.91 0.00 0.00 174.94 174.45 1d4l n GLY 16 N 4.33 -0.53 3.27 1.50 0.00 -1.26 -1.26 105.19 111.24 1d4l n GLY 16 Ca -0.24 0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1d4l n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d4l n GLY 17 N -1.70 0.84 3.72 -0.02 0.00 -1.26 -4.99 105.19 101.77 1d4l n GLY 17 Ca -0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 1d4l n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1d4l s GLN 18 N -0.24 2.60 -0.16 1.61 -0.21 -0.39 -5.12 119.66 117.76 1d4l s GLN 18 Ca 0.00 -1.05 -0.06 0.00 0.02 0.00 0.00 55.36 54.27 1d4l s GLN 18 Cb 0.00 -2.45 -0.04 0.00 1.00 0.00 0.00 33.01 31.52 1d4l s GLN 18 CO 0.00 0.45 0.06 -0.51 -2.12 0.00 0.00 175.29 173.18 1d4l s LEU 19 N -3.11 3.85 0.09 2.90 1.43 -1.26 -0.40 118.68 122.18 1d4l s LEU 19 Ca 0.29 0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 53.50 1d4l s LEU 19 Cb -0.09 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1d4l s LEU 19 CO 0.21 0.25 0.09 -0.54 0.23 0.00 0.00 176.35 176.58 1d4l s LYS 20 N -0.07 0.82 -0.16 1.70 1.02 -0.46 -4.98 119.74 117.61 1d4l s LYS 20 Ca 0.06 -1.20 -0.08 0.00 0.02 0.00 0.00 55.97 54.78 1d4l s LYS 20 Cb -0.12 0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.42 1d4l s LYS 20 CO 0.01 -0.23 0.12 -1.83 -0.92 0.00 0.00 175.35 172.51 1d4l s GLU 21 N -3.94 3.80 0.06 1.68 4.04 -1.26 -0.46 118.70 122.62 1d4l s GLU 21 Ca 0.12 -0.20 0.01 0.00 0.04 0.00 0.00 54.97 54.94 1d4l s GLU 21 Cb 0.06 -3.28 -0.03 0.00 0.02 0.00 0.00 34.13 30.91 1d4l s GLU 21 CO -0.06 0.52 -0.06 0.00 -1.84 0.00 0.00 175.26 173.82 1d4l s ALA 22 N -0.29 0.61 -0.14 -0.84 0.00 0.48 -4.36 121.76 117.23 1d4l s ALA 22 Ca 0.11 -0.97 -0.20 0.00 0.00 0.00 0.00 51.96 50.90 1d4l s ALA 22 Cb -0.12 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1d4l s ALA 22 CO 0.01 -0.15 0.55 -1.17 0.00 0.00 0.00 175.76 175.00 1d4l s LEU 23 N -2.17 4.24 -0.50 0.00 2.96 0.83 -0.25 118.68 123.79 1d4l s LEU 23 Ca -0.02 0.86 -0.29 0.00 -0.22 0.00 0.00 54.13 54.46 1d4l s LEU 23 Cb -0.03 -2.80 0.03 0.00 0.50 0.00 0.00 46.19 43.89 1d4l s LEU 23 CO -0.03 -0.10 1.14 -0.76 -1.32 0.00 0.00 176.35 175.29 1d4l s LEU 24 N 1.04 3.61 -0.34 -0.68 1.43 0.18 -0.69 118.68 123.22 1d4l s LEU 24 Ca 0.28 0.37 0.03 0.00 -1.03 0.00 0.00 54.13 53.77 1d4l s LEU 24 Cb -0.16 -3.45 0.09 0.00 0.03 0.00 0.00 46.19 42.71 1d4l s LEU 24 CO 0.12 -1.30 0.05 -0.62 0.23 0.00 0.00 176.35 174.83 1d4l s ASP 25 N 2.57 4.81 0.25 2.29 -1.08 -0.39 -4.78 116.67 120.35 1d4l s ASP 25 Ca 0.46 -2.02 0.24 0.00 -0.52 0.00 0.00 52.55 50.72 1d4l s ASP 25 Cb -0.07 -1.65 0.97 0.00 -1.46 0.00 0.00 42.92 40.70 1d4l s ASP 25 CO 0.30 -0.38 1.72 0.35 0.52 0.00 0.00 175.17 177.68 1d4l n THR 26 N 4.34 0.81 1.28 1.71 -2.24 -1.26 -2.29 114.28 116.63 1d4l n THR 26 Ca 0.00 0.19 0.13 0.00 -2.27 0.00 0.00 64.05 62.10 1d4l n THR 26 Cb 0.42 -1.12 0.36 0.00 -2.10 0.00 0.00 70.33 67.89 1d4l n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d4l n GLY 27 N 0.09 -0.22 3.60 3.38 0.00 -1.26 -4.82 105.19 105.96 1d4l n GLY 27 Ca 0.02 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 1d4l n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d4l s ALA 28 N -2.30 3.51 0.14 4.61 0.00 -0.97 -4.99 121.76 121.76 1d4l s ALA 28 Ca 0.28 -1.03 -0.13 0.00 0.00 0.00 0.00 51.96 51.08 1d4l s ALA 28 Cb 0.20 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.94 1d4l s ALA 28 CO 0.45 -0.43 1.59 -0.44 0.00 0.00 0.00 175.76 176.93 1d4l h ASP 29 N 8.08 0.79 -2.21 0.00 3.32 -1.87 -0.93 116.42 123.59 1d4l h ASP 29 Ca -0.36 -0.31 -0.59 0.00 0.02 0.00 0.00 57.03 55.79 1d4l h ASP 29 Cb 1.18 -0.21 -0.14 0.00 0.22 0.00 0.00 39.33 40.38 1d4l h ASP 29 CO 0.59 0.91 -0.69 -1.81 -1.72 0.00 0.00 179.24 176.51 1d4l s ASP 30 N -6.31 3.48 0.00 6.45 1.01 -1.26 -2.71 116.67 117.33 1d4l s ASP 30 Ca -0.13 -1.17 -0.26 0.00 0.71 0.00 0.00 52.55 51.71 1d4l s ASP 30 Cb 0.11 -0.30 -0.04 0.00 1.01 0.00 0.00 42.92 43.70 1d4l s ASP 30 CO 0.81 -0.20 0.80 -0.89 0.21 0.00 0.00 175.17 175.90 1d4l s THR 31 N -2.69 4.85 -0.14 -1.27 2.01 -1.26 -3.94 115.64 113.20 1d4l s THR 31 Ca 0.31 1.68 0.00 0.00 0.31 0.00 0.00 61.69 64.00 1d4l s THR 31 Cb 0.02 -4.15 0.02 0.00 0.01 0.00 0.00 72.50 68.40 1d4l s THR 31 CO 0.15 0.28 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.53 1d4l s VAL 32 N 0.46 1.53 -0.00 3.82 1.01 0.05 -1.01 120.40 126.26 1d4l s VAL 32 Ca 0.42 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1d4l s VAL 32 Cb -0.20 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 1d4l s VAL 32 CO 0.23 0.45 -0.04 -0.63 0.00 0.00 0.00 175.10 175.11 1d4l s ILE 33 N 1.49 3.87 0.85 2.22 -1.09 0.14 -0.33 121.20 128.35 1d4l s ILE 33 Ca 0.05 -0.68 -0.12 0.00 -2.23 0.00 0.00 60.65 57.67 1d4l s ILE 33 Cb -0.13 -2.69 0.11 0.00 -1.58 0.00 0.00 42.46 38.17 1d4l s ILE 33 CO -0.10 0.40 1.18 -1.83 -1.23 0.00 0.00 174.94 173.36 1d4l s GLU 34 N -1.43 1.37 -0.38 2.79 -1.05 -1.26 -2.34 118.70 116.40 1d4l s GLU 34 Ca 0.18 1.66 -0.43 0.00 -0.15 0.00 0.00 54.97 56.23 1d4l s GLU 34 Cb -0.11 -1.76 -0.17 0.00 -0.44 0.00 0.00 34.13 31.65 1d4l s GLU 34 CO 0.08 -2.39 1.74 -1.91 0.95 0.00 0.00 175.26 173.73 1d4l n GLU 35 N -3.71 0.65 -3.70 -4.83 4.07 -1.11 -4.65 120.64 107.36 1d4l n GLU 35 Ca 0.13 0.23 -0.14 0.00 -0.06 0.00 0.00 57.16 57.32 1d4l n GLU 35 Cb 0.51 -1.86 -0.09 0.00 -0.06 0.00 0.00 31.44 29.94 1d4l n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1d4l s MET 36 N 3.65 0.63 -1.23 5.31 0.23 -1.26 -5.04 119.30 121.58 1d4l s MET 36 Ca 1.03 0.51 -0.10 0.00 -1.03 0.00 0.00 55.69 56.10 1d4l s MET 36 Cb -1.25 0.30 -0.07 0.00 -1.53 0.00 0.00 34.83 32.29 1d4l s MET 36 CO 0.71 -0.11 2.42 0.27 -2.03 0.00 0.00 175.02 176.29 1d4l n ASN 37 N 2.41 5.97 -4.74 -1.18 6.94 -1.26 -4.96 115.26 118.45 1d4l n ASN 37 Ca -0.15 -2.52 -0.41 0.00 -0.02 0.00 0.00 54.58 51.48 1d4l n ASN 37 Cb 0.57 -1.34 -0.03 0.00 -2.36 0.00 0.00 39.78 36.61 1d4l n ASN 37 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1d4l s LEU 38 N 0.50 4.43 0.74 -4.53 1.43 -1.26 -5.01 118.68 114.98 1d4l s LEU 38 Ca 0.54 2.27 -0.11 0.00 -1.03 0.00 0.00 54.13 55.79 1d4l s LEU 38 Cb 0.14 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.79 1d4l s LEU 38 CO -0.03 -0.42 1.08 -2.16 0.23 0.00 0.00 176.35 175.05 1d4l s PRO 39 N -0.12 2.53 0.00 1.29 0.04 -1.26 -4.98 135.00 132.51 1d4l s PRO 39 Ca 0.54 0.69 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1d4l s PRO 39 Cb -0.34 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1d4l s PRO 39 CO 0.37 -1.32 0.00 0.41 0.04 0.00 0.00 177.00 176.50 1d4l n GLY 40 N -2.27 2.47 3.84 0.56 0.00 -1.26 -5.05 105.19 103.48 1d4l n GLY 40 Ca 0.07 -2.11 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 1d4l n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d4l s LYS 41 N -2.13 4.05 0.11 1.61 3.01 -1.26 -5.08 119.74 120.05 1d4l s LYS 41 Ca 0.00 0.73 -0.05 0.00 -1.01 0.00 0.00 55.97 55.64 1d4l s LYS 41 Cb 0.00 -2.46 -0.02 0.00 -1.01 0.00 0.00 37.83 34.33 1d4l s LYS 41 CO 0.00 0.17 0.13 1.67 0.51 0.00 0.00 175.35 177.83 1d4l s TRP 42 N -1.95 0.49 -0.04 3.18 1.48 -1.26 -4.62 118.94 116.23 1d4l s TRP 42 Ca 0.54 -0.92 0.05 0.00 -1.06 0.00 0.00 56.10 54.71 1d4l s TRP 42 Cb -0.11 -0.25 -0.01 0.00 -1.16 0.00 0.00 33.47 31.94 1d4l s TRP 42 CO 0.17 -0.55 -0.20 0.15 -4.06 0.00 0.00 176.95 172.47 1d4l s LYS 43 N -3.95 1.88 0.53 3.25 -0.14 -0.63 -4.89 119.74 115.79 1d4l s LYS 43 Ca 0.14 -0.70 -0.20 0.00 -1.36 0.00 0.00 55.97 53.85 1d4l s LYS 43 Cb 0.06 -1.67 -0.06 0.00 -1.68 0.00 0.00 37.83 34.48 1d4l s LYS 43 CO -0.04 0.33 1.15 -1.25 -0.76 0.00 0.00 175.35 174.78 1d4l s PRO 44 N -0.16 3.37 0.10 -1.68 0.04 -1.26 -0.16 135.00 135.25 1d4l s PRO 44 Ca -0.00 1.68 -0.21 0.00 0.04 0.00 0.00 61.00 62.51 1d4l s PRO 44 Cb -0.11 -2.07 0.05 0.00 0.04 0.00 0.00 34.50 32.42 1d4l s PRO 44 CO 0.01 -0.85 0.51 0.21 0.04 0.00 0.00 177.00 176.93 1d4l s LYS 45 N -3.18 1.12 -0.08 4.56 2.20 -0.65 -4.86 119.74 118.84 1d4l s LYS 45 Ca 0.72 -0.43 0.04 0.00 -0.36 0.00 0.00 55.97 55.93 1d4l s LYS 45 Cb -0.26 0.51 0.00 0.00 -1.51 0.00 0.00 37.83 36.57 1d4l s LYS 45 CO 0.29 -0.44 -0.21 -1.64 -0.36 0.00 0.00 175.35 172.99 1d4l s MET 46 N -3.21 2.60 -0.01 4.03 -1.94 -1.26 -0.24 119.30 119.27 1d4l s MET 46 Ca -0.01 -0.76 0.07 0.00 -1.71 0.00 0.00 55.69 53.27 1d4l s MET 46 Cb -0.00 -2.03 -0.02 0.00 2.01 0.00 0.00 34.83 34.79 1d4l s MET 46 CO -0.08 0.18 -0.21 0.96 -0.01 0.00 0.00 175.02 175.85 1d4l s ILE 47 N 0.32 1.70 0.04 2.53 -4.36 -0.62 -4.95 121.20 115.85 1d4l s ILE 47 Ca -0.15 -0.96 0.06 0.00 -0.26 0.00 0.00 60.65 59.34 1d4l s ILE 47 Cb -0.16 -1.42 -0.03 0.00 1.25 0.00 0.00 42.46 42.09 1d4l s ILE 47 CO 0.07 0.44 -0.14 -0.83 0.24 0.00 0.00 174.94 174.71 1d4l s GLY 48 N -0.61 1.64 0.00 6.27 0.00 -1.26 -1.15 107.32 112.21 1d4l s GLY 48 Ca 0.08 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.65 1d4l s GLY 48 CO -0.00 -1.05 0.00 0.61 0.00 0.00 0.00 173.10 172.66 1d4l n GLY 49 N 1.47 5.16 3.72 0.20 0.00 0.18 -4.95 105.19 110.98 1d4l n GLY 49 Ca -0.16 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 1d4l n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1d4l s ILE 50 N -0.92 3.13 0.00 -0.61 1.01 -1.26 -1.98 121.20 120.57 1d4l s ILE 50 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 60.65 61.48 1d4l s ILE 50 Cb 0.00 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.94 1d4l s ILE 50 CO 0.00 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.62 1d4l n GLY 51 N 3.34 3.09 0.00 6.18 0.00 -1.26 -4.96 105.19 111.57 1d4l n GLY 51 Ca 0.11 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1d4l n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d4l n GLY 52 N 0.00 -0.15 3.70 -0.02 0.00 -0.84 -5.14 105.19 102.74 1d4l n GLY 52 Ca 0.00 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 1d4l n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1d4l s PHE 53 N -3.68 2.99 0.07 1.61 0.40 -1.26 0.51 117.98 118.62 1d4l s PHE 53 Ca 0.00 -0.04 0.05 0.00 -0.60 0.00 0.00 56.93 56.34 1d4l s PHE 53 Cb 0.00 -1.52 -0.03 0.00 0.51 0.00 0.00 43.02 41.98 1d4l s PHE 53 CO 0.00 0.49 -0.14 0.96 0.70 0.00 0.00 175.22 177.23 1d4l s ILE 54 N -1.40 1.11 -0.03 0.64 -4.36 -0.30 -4.96 121.20 111.90 1d4l s ILE 54 Ca 0.26 -1.33 -0.21 0.00 -0.26 0.00 0.00 60.65 59.12 1d4l s ILE 54 Cb -0.11 -1.09 -0.05 0.00 1.25 0.00 0.00 42.46 42.46 1d4l s ILE 54 CO 0.19 -0.24 0.60 -0.54 0.24 0.00 0.00 174.94 175.18 1d4l s LYS 55 N -1.80 4.34 0.24 0.37 1.02 -1.26 -1.59 119.74 121.06 1d4l s LYS 55 Ca -0.02 0.72 0.02 0.00 0.02 0.00 0.00 55.97 56.72 1d4l s LYS 55 Cb -0.10 -3.37 -0.05 0.00 -0.52 0.00 0.00 37.83 33.79 1d4l s LYS 55 CO 0.02 0.29 0.04 0.14 -0.92 0.00 0.00 175.35 174.92 1d4l s VAL 56 N 0.08 0.83 -0.19 3.17 -7.23 0.67 -4.50 120.40 113.23 1d4l s VAL 56 Ca 0.31 -2.01 -0.04 0.00 -1.81 0.00 0.00 61.98 58.43 1d4l s VAL 56 Cb -0.18 -2.46 -0.02 0.00 0.56 0.00 0.00 36.38 34.29 1d4l s VAL 56 CO 0.16 -0.20 -0.02 -0.13 -0.31 0.00 0.00 175.10 174.60 1d4l s ARG 57 N -3.93 3.57 -0.23 4.82 0.52 0.20 -1.64 118.95 122.25 1d4l s ARG 57 Ca 0.32 -0.55 -0.16 0.00 -0.52 0.00 0.00 55.73 54.81 1d4l s ARG 57 Cb 0.07 -3.01 -0.03 0.00 0.52 0.00 0.00 34.95 32.50 1d4l s ARG 57 CO 0.10 0.03 0.44 -1.14 0.02 0.00 0.00 175.30 174.75 1d4l s GLN 58 N 0.93 4.12 -0.06 3.54 0.74 0.77 -1.12 119.66 128.58 1d4l s GLN 58 Ca 0.00 0.23 0.03 0.00 0.05 0.00 0.00 55.36 55.67 1d4l s GLN 58 Cb -0.14 -3.59 -0.03 0.00 1.10 0.00 0.00 33.01 30.35 1d4l s GLN 58 CO 0.01 -0.18 -0.14 0.71 -0.55 0.00 0.00 175.29 175.15 1d4l s TYR 59 N 1.75 2.73 0.20 1.67 2.02 -0.34 -1.60 117.35 123.79 1d4l s TYR 59 Ca 0.19 -0.18 0.07 0.00 -0.37 0.00 0.00 57.07 56.78 1d4l s TYR 59 Cb -0.15 -1.65 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 1d4l s TYR 59 CO 0.09 0.17 0.09 -0.51 -1.57 0.00 0.00 175.55 173.82 1d4l s ASP 60 N -0.65 5.17 -1.31 2.29 1.01 -1.26 -0.59 116.67 121.34 1d4l s ASP 60 Ca 0.10 -0.31 -0.12 0.00 0.71 0.00 0.00 52.55 52.93 1d4l s ASP 60 Cb -0.11 -1.23 0.00 0.00 1.01 0.00 0.00 42.92 42.59 1d4l s ASP 60 CO 0.01 0.04 0.52 0.00 0.21 0.00 0.00 175.17 175.95 1d4l n GLN 61 N -0.58 -1.98 -3.71 8.23 6.02 -1.17 -4.88 117.38 119.31 1d4l n GLN 61 Ca -0.08 0.34 -0.36 0.00 -0.01 0.00 0.00 57.00 56.88 1d4l n GLN 61 Cb 0.56 -4.01 -0.10 0.00 1.02 0.00 0.00 30.24 27.72 1d4l n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1d4l s ILE 62 N -3.79 5.21 0.09 5.09 -1.09 -0.43 -4.76 121.20 121.52 1d4l s ILE 62 Ca 0.22 0.13 -0.30 0.00 -2.23 0.00 0.00 60.65 58.46 1d4l s ILE 62 Cb -0.09 -3.42 -0.06 0.00 -1.58 0.00 0.00 42.46 37.30 1d4l s ILE 62 CO 0.90 0.36 1.21 -2.84 -1.23 0.00 0.00 174.94 173.34 1d4l s PRO 63 N 1.02 4.44 -0.05 2.79 0.02 -1.26 -2.01 135.00 139.95 1d4l s PRO 63 Ca 0.07 1.81 -0.01 0.00 0.02 0.00 0.00 61.00 62.89 1d4l s PRO 63 Cb -0.13 -3.32 0.03 0.00 0.02 0.00 0.00 34.50 31.09 1d4l s PRO 63 CO 0.04 -0.22 -0.00 0.08 -0.33 0.00 0.00 177.00 176.56 1d4l s VAL 64 N 0.81 0.30 -0.21 3.83 1.01 0.19 -4.39 120.40 121.94 1d4l s VAL 64 Ca 0.58 0.10 -0.14 0.00 0.00 0.00 0.00 61.98 62.52 1d4l s VAL 64 Cb -0.31 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1d4l s VAL 64 CO 0.31 0.22 0.33 -0.70 0.00 0.00 0.00 175.10 175.26 1d4l s GLU 65 N 1.58 4.16 -0.28 2.72 2.12 -0.19 -1.16 118.70 127.65 1d4l s GLU 65 Ca -0.01 0.08 0.09 0.00 0.36 0.00 0.00 54.97 55.49 1d4l s GLU 65 Cb -0.13 -3.53 0.46 0.00 0.26 0.00 0.00 34.13 31.19 1d4l s GLU 65 CO -0.03 0.01 1.33 -0.89 -0.54 0.00 0.00 175.26 175.14 1d4l n ILE 66 N 4.25 2.46 0.00 -3.70 5.41 -1.26 -0.68 119.36 125.85 1d4l n ILE 66 Ca -0.10 -3.33 0.00 0.00 1.00 0.00 0.00 62.75 60.32 1d4l n ILE 66 Cb 0.51 -0.53 0.00 0.00 -0.71 0.00 0.00 39.64 38.92 1d4l n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1d4l n GLY 68 N -1.01 0.00 3.50 7.39 0.00 -1.26 -4.73 105.19 109.08 1d4l n GLY 68 Ca 0.32 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 1d4l n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1d4l s HIS 69 N 0.00 3.11 0.13 1.61 4.02 -1.26 -5.09 115.29 117.81 1d4l s HIS 69 Ca 0.00 -0.28 -0.26 0.00 1.02 0.00 0.00 55.06 55.54 1d4l s HIS 69 Cb 0.00 -2.12 -0.07 0.00 -1.02 0.00 0.00 32.58 29.37 1d4l s HIS 69 CO 0.00 -0.15 0.81 0.15 1.02 0.00 0.00 174.74 176.58 1d4l s LYS 70 N 0.97 4.60 0.13 1.40 1.02 -1.26 -4.29 119.74 122.31 1d4l s LYS 70 Ca 0.03 1.20 -0.08 0.00 0.02 0.00 0.00 55.97 57.14 1d4l s LYS 70 Cb -0.14 -3.31 -0.01 0.00 -0.52 0.00 0.00 37.83 33.85 1d4l s LYS 70 CO 0.02 0.44 0.22 0.00 -0.92 0.00 0.00 175.35 175.11 1d4l s ALA 71 N -0.69 0.02 -0.23 5.17 0.00 -0.31 -4.83 121.76 120.88 1d4l s ALA 71 Ca 0.38 -0.86 -0.12 0.00 0.00 0.00 0.00 51.96 51.37 1d4l s ALA 71 Cb -0.23 0.72 0.08 0.00 0.00 0.00 0.00 23.12 23.69 1d4l s ALA 71 CO 0.26 -0.58 0.55 -1.50 0.00 0.00 0.00 175.76 174.49 1d4l s ILE 72 N -3.94 -0.24 0.00 0.00 2.07 -1.26 -0.63 121.20 117.20 1d4l s ILE 72 Ca 0.13 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.43 1d4l s ILE 72 Cb 0.04 -0.82 0.00 0.00 0.13 0.00 0.00 42.46 41.82 1d4l s ILE 72 CO -0.04 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.62 1d4l n GLY 73 N 4.61 0.75 3.75 1.50 0.00 -0.85 -4.85 105.19 110.10 1d4l n GLY 73 Ca -0.18 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 1d4l n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d4l s THR 74 N -2.09 3.01 -0.06 2.61 2.01 -1.26 -1.32 115.64 118.54 1d4l s THR 74 Ca 0.00 0.90 0.01 0.00 0.31 0.00 0.00 61.69 62.90 1d4l s THR 74 Cb 0.00 -3.57 0.02 0.00 0.01 0.00 0.00 72.50 68.96 1d4l s THR 74 CO 0.00 0.17 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.35 1d4l s VAL 75 N -0.37 0.68 -0.16 3.82 1.01 0.25 -4.39 120.40 121.24 1d4l s VAL 75 Ca 0.54 -0.16 -0.10 0.00 0.00 0.00 0.00 61.98 62.25 1d4l s VAL 75 Cb -0.38 -0.71 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 1d4l s VAL 75 CO 0.43 0.27 0.18 -0.76 0.00 0.00 0.00 175.10 175.23 1d4l s LEU 76 N 1.18 4.28 -0.16 3.92 1.43 -0.18 -1.20 118.68 127.96 1d4l s LEU 76 Ca -0.06 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 1d4l s LEU 76 Cb -0.14 -2.18 -0.00 0.00 0.03 0.00 0.00 46.19 43.90 1d4l s LEU 76 CO -0.01 0.23 -0.15 -0.69 0.23 0.00 0.00 176.35 175.96 1d4l s VAL 77 N -0.06 2.69 0.08 -1.59 1.01 -0.27 0.27 120.40 122.53 1d4l s VAL 77 Ca 0.13 -0.76 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 1d4l s VAL 77 Cb -0.12 -2.14 0.05 0.00 0.00 0.00 0.00 36.38 34.17 1d4l s VAL 77 CO 0.02 0.51 0.67 0.61 0.00 0.00 0.00 175.10 176.91 1d4l n GLY 78 N 4.07 0.76 2.58 4.51 0.00 -0.99 -0.63 105.19 115.49 1d4l n GLY 78 Ca -0.19 -1.04 -0.28 0.00 0.00 0.00 0.00 46.02 44.51 1d4l n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1d4l n PRO 79 N -0.47 2.44 -3.29 1.61 -0.04 -1.26 -2.75 135.00 131.24 1d4l n PRO 79 Ca -0.00 -1.69 -0.36 0.00 -0.04 0.00 0.00 63.50 61.41 1d4l n PRO 79 Cb 0.36 -2.59 -0.06 0.00 -0.04 0.00 0.00 33.50 31.17 1d4l n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1d4l s THR 80 N 3.23 4.78 0.10 0.52 -1.32 -1.26 -4.98 115.64 116.71 1d4l s THR 80 Ca 0.48 0.97 0.34 0.00 -1.21 0.00 0.00 61.69 62.27 1d4l s THR 80 Cb 0.12 -3.78 0.39 0.00 -1.51 0.00 0.00 72.50 67.73 1d4l s THR 80 CO -0.03 0.27 1.99 -0.65 -2.21 0.00 0.00 174.62 173.99 1d4l h PRO 81 N 3.65 0.00 -3.05 7.08 0.11 -1.99 -3.44 132.00 134.36 1d4l h PRO 81 Ca -0.49 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1d4l h PRO 81 Cb 1.20 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.13 1d4l h PRO 81 CO 0.65 0.00 -0.19 0.54 -0.21 0.00 0.00 178.00 178.80 1d4l s VAL 82 N -3.67 0.06 0.05 3.15 0.11 -1.26 -5.10 120.40 113.74 1d4l s VAL 82 Ca 0.01 -0.50 -0.30 0.00 -2.93 0.00 0.00 61.98 58.25 1d4l s VAL 82 Cb 0.09 -0.84 -0.05 0.00 -1.53 0.00 0.00 36.38 34.05 1d4l s VAL 82 CO 0.54 -0.28 1.07 0.20 -3.33 0.00 0.00 175.10 173.30 1d4l s ASN 83 N -1.76 7.27 -0.17 3.54 0.01 -1.26 -4.64 114.94 117.94 1d4l s ASN 83 Ca -0.08 1.85 0.01 0.00 -0.71 0.00 0.00 52.86 53.93 1d4l s ASN 83 Cb -0.02 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.08 1d4l s ASN 83 CO 0.00 -0.31 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.46 1d4l s ILE 84 N 0.77 1.98 -0.30 0.60 1.01 0.55 -0.12 121.20 125.71 1d4l s ILE 84 Ca 0.54 -0.90 -0.15 0.00 0.00 0.00 0.00 60.65 60.14 1d4l s ILE 84 Cb -0.25 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1d4l s ILE 84 CO 0.29 0.53 0.36 -0.63 0.00 0.00 0.00 174.94 175.49 1d4l s ILE 85 N 1.21 5.18 0.62 2.92 -1.09 0.13 -0.77 121.20 129.40 1d4l s ILE 85 Ca 0.02 0.36 0.08 0.00 -2.23 0.00 0.00 60.65 58.88 1d4l s ILE 85 Cb -0.14 -3.73 0.11 0.00 -1.58 0.00 0.00 42.46 37.12 1d4l s ILE 85 CO -0.10 0.08 0.86 -0.83 -1.23 0.00 0.00 174.94 173.72 1d4l s GLY 86 N 1.69 1.71 0.53 6.18 0.00 -1.25 -1.26 107.32 114.92 1d4l s GLY 86 Ca 0.13 -2.13 0.25 0.00 0.00 0.00 0.00 44.72 42.97 1d4l s GLY 86 CO 0.11 -1.61 2.01 3.21 0.00 0.00 0.00 173.10 176.82 1d4l h ARG 87 N -0.03 0.00 -0.30 2.90 3.08 -1.20 -1.63 114.38 117.21 1d4l h ARG 87 Ca -0.30 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 1d4l h ARG 87 Cb 1.28 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.32 1d4l h ARG 87 CO 0.40 0.00 0.13 -2.95 -1.07 0.00 0.00 179.97 176.48 1d4l h ASN 88 N 0.00 0.37 0.06 7.04 -1.07 -1.78 -2.22 115.58 117.98 1d4l h ASN 88 Ca 0.22 -0.03 -0.31 0.00 0.07 0.00 0.00 56.30 56.26 1d4l h ASN 88 Cb 0.92 -0.09 -0.06 0.00 -2.07 0.00 0.00 38.32 37.02 1d4l h ASN 88 CO -0.00 0.33 -2.26 0.18 0.07 0.00 0.00 177.43 175.75 1d4l n LEU 89 N -4.43 0.09 -0.04 6.14 4.77 -0.77 -4.37 117.00 118.39 1d4l n LEU 89 Ca 0.01 0.04 -0.01 0.00 -0.03 0.00 0.00 56.01 56.02 1d4l n LEU 89 Cb 0.12 0.39 0.25 0.00 -2.33 0.00 0.00 43.42 41.86 1d4l n LEU 89 CO 0.36 0.41 0.93 -0.07 -1.33 0.00 0.00 177.39 177.69 1d4l h LEU 90 N 0.00 0.58 -1.78 2.23 3.38 -1.20 -1.46 115.31 117.06 1d4l h LEU 90 Ca -0.44 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.38 1d4l h LEU 90 Cb 2.04 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.63 1d4l h LEU 90 CO 0.03 0.64 -0.16 0.71 0.09 0.00 0.00 178.44 179.75 1d4l h THR 91 N 0.59 0.74 -0.01 0.22 1.35 -1.60 -2.66 112.91 111.54 1d4l h THR 91 Ca 0.12 -0.63 -0.16 0.00 -0.55 0.00 0.00 66.41 65.19 1d4l h THR 91 Cb 0.35 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 68.14 1d4l h THR 91 CO 0.01 0.15 -0.75 1.56 -0.25 0.00 0.00 175.52 176.24 1d4l h GLN 92 N 0.00 0.08 -0.63 4.72 4.20 -1.46 -3.10 115.11 118.92 1d4l h GLN 92 Ca -0.00 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1d4l h GLN 92 Cb 0.37 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1d4l h GLN 92 CO 0.02 0.79 0.00 0.44 -0.67 0.00 0.00 178.83 179.41 1d4l n ILE 93 N -3.70 1.43 -2.15 2.54 -5.35 -1.01 -5.00 119.36 106.13 1d4l n ILE 93 Ca -0.02 -0.93 -0.02 0.00 -0.27 0.00 0.00 62.75 61.51 1d4l n ILE 93 Cb 0.72 0.06 -0.02 0.00 -1.74 0.00 0.00 39.64 38.66 1d4l n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1d4l n GLY 94 N 1.00 -4.93 0.00 3.28 0.00 -1.15 -5.10 105.19 98.28 1d4l n GLY 94 Ca 0.21 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.76 1d4l n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1d4l n THR 96 N 1.33 0.00 -4.13 2.61 -2.24 -1.26 -5.05 114.28 105.53 1d4l n THR 96 Ca -0.15 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.28 1d4l n THR 96 Cb 0.23 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.37 1d4l n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1d4l s LEU 97 N 0.00 3.83 -0.04 3.22 1.43 -1.26 -5.10 118.68 120.76 1d4l s LEU 97 Ca 0.00 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1d4l s LEU 97 Cb 0.00 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.32 1d4l s LEU 97 CO 0.00 0.30 -0.05 0.20 0.23 0.00 0.00 176.35 177.03 1d4l s ASN 98 N -0.40 0.96 0.00 2.29 -0.87 -1.26 -5.30 114.94 110.36 1d4l s ASN 98 Ca 0.09 -0.13 0.00 0.00 -1.57 0.00 0.00 52.86 51.25 1d4l s ASN 98 Cb -0.12 -0.46 0.00 0.00 -0.02 0.00 0.00 41.25 40.65 1d4l s ASN 98 CO 0.02 -0.05 0.00 2.22 -2.57 0.00 0.00 177.10 176.72