#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bmp n LEU 10 N 0.00 0.00 0.00 2.89 7.94 -1.26 -5.13 117.00 121.44 3bmp n LEU 10 Ca 0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.85 3bmp n LEU 10 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3bmp n LEU 10 CO 0.00 0.00 0.18 2.29 -1.11 0.00 0.00 177.39 178.75 3bmp n LYS 11 N 0.00 0.43 0.00 1.96 2.85 -1.26 -5.11 118.16 117.03 3bmp n LYS 11 Ca 0.00 -1.03 0.00 0.00 -1.05 0.00 0.00 58.31 56.23 3bmp n LYS 11 Cb 0.00 1.18 0.00 0.00 -0.65 0.00 0.00 35.03 35.56 3bmp n LYS 11 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3bmp n SER 12 N -1.43 -0.55 -4.06 -5.58 3.41 -1.26 -3.58 113.62 100.57 3bmp n SER 12 Ca -0.03 -0.07 -0.37 0.00 -0.26 0.00 0.00 58.87 58.14 3bmp n SER 12 Cb 0.25 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.24 3bmp n SER 12 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3bmp n SER 13 N -1.05 -5.44 -4.68 4.04 3.41 -1.26 -2.34 113.62 106.30 3bmp n SER 13 Ca 0.00 0.30 -0.45 0.00 -0.26 0.00 0.00 58.87 58.46 3bmp n SER 13 Cb 0.00 -0.78 -0.04 0.00 -0.26 0.00 0.00 64.21 63.13 3bmp n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bmp s LYS 15 N 1.23 1.61 0.01 0.00 -2.85 -0.52 -4.95 119.74 114.26 3bmp s LYS 15 Ca 0.79 -0.84 -0.21 0.00 -1.00 0.00 0.00 55.97 54.71 3bmp s LYS 15 Cb -0.62 0.58 -0.06 0.00 -2.06 0.00 0.00 37.83 35.67 3bmp s LYS 15 CO 0.37 -0.73 0.60 0.50 0.10 0.00 0.00 175.35 176.19 3bmp s ARG 16 N -3.80 4.31 0.10 1.78 3.52 -1.26 -2.30 118.95 121.31 3bmp s ARG 16 Ca 0.09 0.75 0.10 0.00 -0.13 0.00 0.00 55.73 56.54 3bmp s ARG 16 Cb -0.04 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 3bmp s ARG 16 CO 0.02 0.40 -0.23 -1.01 -0.81 0.00 0.00 175.30 173.68 3bmp s HIS 17 N -0.32 2.42 0.46 5.12 3.76 0.56 -4.97 115.29 122.33 3bmp s HIS 17 Ca 0.31 -0.33 -0.22 0.00 -0.15 0.00 0.00 55.06 54.67 3bmp s HIS 17 Cb -0.19 -1.33 -0.07 0.00 1.11 0.00 0.00 32.58 32.10 3bmp s HIS 17 CO 0.18 0.32 1.14 -2.14 -0.85 0.00 0.00 174.74 173.39 3bmp s PRO 18 N -1.92 3.76 -0.30 8.40 0.02 -1.26 -1.41 135.00 142.28 3bmp s PRO 18 Ca 0.15 1.70 -0.05 0.00 0.02 0.00 0.00 61.00 62.82 3bmp s PRO 18 Cb -0.10 -2.36 0.19 0.00 0.02 0.00 0.00 34.50 32.25 3bmp s PRO 18 CO 0.07 -0.54 0.78 -1.17 -0.33 0.00 0.00 177.00 175.81 3bmp s LEU 19 N -3.10 -1.03 -0.07 -5.54 2.96 -1.26 -4.74 118.68 105.89 3bmp s LEU 19 Ca 0.64 0.60 -0.13 0.00 -0.22 0.00 0.00 54.13 55.03 3bmp s LEU 19 Cb -0.27 1.85 -0.05 0.00 0.50 0.00 0.00 46.19 48.22 3bmp s LEU 19 CO 0.32 -0.19 0.31 -0.47 -1.32 0.00 0.00 176.35 175.00 3bmp s TYR 20 N 2.90 3.63 -0.21 5.38 5.04 -1.26 -0.75 117.35 132.07 3bmp s TYR 20 Ca 0.12 0.78 -0.00 0.00 -2.44 0.00 0.00 57.07 55.53 3bmp s TYR 20 Cb -0.13 -2.22 0.02 0.00 0.35 0.00 0.00 41.96 39.99 3bmp s TYR 20 CO -0.18 0.56 -0.13 0.08 -1.34 0.00 0.00 175.55 174.55 3bmp s VAL 21 N -0.66 2.51 -0.33 3.14 1.01 0.12 -4.93 120.40 121.25 3bmp s VAL 21 Ca 0.20 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 61.06 3bmp s VAL 21 Cb -0.15 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 3bmp s VAL 21 CO 0.09 0.39 0.50 -0.62 0.00 0.00 0.00 175.10 175.45 3bmp s ASP 22 N 1.32 6.32 0.67 3.32 -1.08 -1.26 -0.80 116.67 125.16 3bmp s ASP 22 Ca 0.03 0.06 0.39 0.00 -0.52 0.00 0.00 52.55 52.50 3bmp s ASP 22 Cb -0.15 -2.26 2.12 0.00 -1.46 0.00 0.00 42.92 41.17 3bmp s ASP 22 CO -0.08 -0.43 2.20 -0.26 0.52 0.00 0.00 175.17 177.11 3bmp h PHE 23 N 8.38 0.00 0.04 -5.34 0.04 -1.65 -1.20 116.94 117.21 3bmp h PHE 23 Ca -0.28 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.26 3bmp h PHE 23 Cb 1.13 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.26 3bmp h PHE 23 CO 0.73 0.00 -1.03 0.77 -0.60 0.00 0.00 178.31 178.17 3bmp h SER 24 N 0.00 0.16 0.26 2.17 0.02 -1.93 1.36 113.55 115.59 3bmp h SER 24 Ca 0.00 -0.16 -0.14 0.00 -0.84 0.00 0.00 61.79 60.65 3bmp h SER 24 Cb 0.26 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 3bmp h SER 24 CO -0.00 1.08 -0.55 0.44 -1.14 0.00 0.00 176.83 176.66 3bmp h ASP 25 N 0.04 0.35 -0.65 3.07 3.32 -1.62 -2.85 116.42 118.08 3bmp h ASP 25 Ca -0.05 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.81 3bmp h ASP 25 Cb 1.76 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 41.21 3bmp h ASP 25 CO 0.15 0.83 0.00 1.33 -1.72 0.00 0.00 179.24 179.83 3bmp n VAL 26 N -3.92 0.87 -3.37 -1.35 0.24 -1.17 -4.96 118.33 104.68 3bmp n VAL 26 Ca -0.02 -0.87 -0.18 0.00 -2.04 0.00 0.00 64.34 61.23 3bmp n VAL 26 Cb 0.59 0.43 0.08 0.00 -1.47 0.00 0.00 33.84 33.47 3bmp n VAL 26 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bmp n GLY 27 N 1.53 -0.33 0.00 7.63 0.00 -0.90 -4.93 105.19 108.20 3bmp n GLY 27 Ca 0.22 0.09 0.02 0.00 0.00 0.00 0.00 46.02 46.35 3bmp n GLY 27 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3bmp n TRP 28 N -4.21 0.00 0.11 1.61 7.02 0.46 -4.57 117.44 117.86 3bmp n TRP 28 Ca -0.15 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.38 3bmp n TRP 28 Cb 0.61 -0.03 0.23 0.00 -2.42 0.00 0.00 31.31 29.69 3bmp n TRP 28 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 3bmp n ASN 29 N -1.28 0.20 -0.13 -0.99 6.94 -0.71 -0.87 115.26 118.41 3bmp n ASN 29 Ca 0.00 0.59 -0.13 0.00 -0.02 0.00 0.00 54.58 55.02 3bmp n ASN 29 Cb 0.07 -0.62 -0.02 0.00 -2.36 0.00 0.00 39.78 36.86 3bmp n ASN 29 CO 0.00 0.00 0.00 -2.24 -1.03 0.00 0.00 177.26 173.99 3bmp h ASP 30 N 0.00 0.98 0.00 0.53 2.03 -1.87 -3.34 116.42 114.76 3bmp h ASP 30 Ca 0.00 -0.44 -0.05 0.00 -0.73 0.00 0.00 57.03 55.81 3bmp h ASP 30 Cb 0.04 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 38.25 3bmp h ASP 30 CO 0.00 1.22 -1.78 -2.67 -1.03 0.00 0.00 179.24 174.98 3bmp n TRP 31 N -4.10 0.00 -3.28 4.15 4.27 -0.43 -4.88 117.44 113.16 3bmp n TRP 31 Ca -0.02 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.17 3bmp n TRP 31 Cb 0.51 -0.43 -0.08 0.00 -1.36 0.00 0.00 31.31 29.94 3bmp n TRP 31 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 3bmp s ILE 32 N -2.97 5.04 -0.01 -1.67 1.01 -0.05 -1.65 121.20 120.91 3bmp s ILE 32 Ca -0.06 -0.09 -0.25 0.00 0.00 0.00 0.00 60.65 60.26 3bmp s ILE 32 Cb 0.09 -4.02 -0.19 0.00 0.01 0.00 0.00 42.46 38.35 3bmp s ILE 32 CO 0.65 -0.37 1.28 0.58 0.00 0.00 0.00 174.94 177.09 3bmp h VAL 33 N 5.70 1.38 -2.60 2.92 2.07 -0.53 -3.41 116.25 121.79 3bmp h VAL 33 Ca -0.27 -1.20 -0.09 0.00 0.82 0.00 0.00 66.70 65.96 3bmp h VAL 33 Cb 1.12 2.11 -0.19 0.00 -1.52 0.00 0.00 31.29 32.80 3bmp h VAL 33 CO 0.79 0.32 -0.07 0.00 0.02 0.00 0.00 177.57 178.64 3bmp s ALA 34 N -4.24 -1.22 1.09 1.67 0.00 -0.45 -4.65 121.76 113.97 3bmp s ALA 34 Ca -0.16 0.74 -0.12 0.00 0.00 0.00 0.00 51.96 52.43 3bmp s ALA 34 Cb 0.02 0.07 0.16 0.00 0.00 0.00 0.00 23.12 23.38 3bmp s ALA 34 CO 0.69 -0.32 0.72 -0.35 0.00 0.00 0.00 175.76 176.50 3bmp n PRO 35 N 1.06 -1.69 0.13 0.00 -0.04 -1.26 0.18 135.00 133.38 3bmp n PRO 35 Ca -0.20 -1.13 0.03 0.00 -0.04 0.00 0.00 63.50 62.15 3bmp n PRO 35 Cb 0.57 -0.92 0.02 0.00 -0.04 0.00 0.00 33.50 33.12 3bmp n PRO 35 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3bmp h PRO 36 N 0.00 0.00 0.00 0.54 0.13 -1.92 -3.48 132.00 127.27 3bmp h PRO 36 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3bmp h PRO 36 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3bmp h PRO 36 CO 0.17 0.44 0.00 0.41 -0.23 0.00 0.00 178.00 178.79 3bmp n GLY 37 N 1.24 1.23 3.55 1.56 0.00 -1.26 -1.54 105.19 109.96 3bmp n GLY 37 Ca 0.01 -0.85 -0.07 0.00 0.00 0.00 0.00 46.02 45.11 3bmp n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bmp s TYR 38 N -4.55 -0.28 -0.82 1.61 1.13 0.02 -4.95 117.35 109.52 3bmp s TYR 38 Ca 0.00 0.23 -0.24 0.00 -1.41 0.00 0.00 57.07 55.65 3bmp s TYR 38 Cb 0.00 0.52 0.06 0.00 -1.10 0.00 0.00 41.96 41.43 3bmp s TYR 38 CO 0.00 -0.40 1.24 -1.01 -2.51 0.00 0.00 175.55 172.87 3bmp s HIS 39 N -2.55 2.54 -0.06 -3.49 3.76 -1.26 0.12 115.29 114.33 3bmp s HIS 39 Ca 0.05 -0.54 0.01 0.00 -0.15 0.00 0.00 55.06 54.43 3bmp s HIS 39 Cb -0.01 -4.54 -0.25 0.00 1.11 0.00 0.00 32.58 28.89 3bmp s HIS 39 CO -0.06 -1.88 0.58 0.00 -0.85 0.00 0.00 174.74 172.54 3bmp h ALA 40 N 9.72 0.52 -2.11 -1.40 0.00 -1.24 -3.45 119.26 121.29 3bmp h ALA 40 Ca -0.09 -1.36 0.25 0.00 0.00 0.00 0.00 54.91 53.71 3bmp h ALA 40 Cb 1.04 0.54 -0.07 0.00 0.00 0.00 0.00 17.79 19.29 3bmp h ALA 40 CO 1.28 1.38 -0.39 1.19 0.00 0.00 0.00 179.25 182.70 3bmp n PHE 41 N -3.32 -2.37 -3.67 0.00 3.01 -0.73 -1.50 117.46 108.88 3bmp n PHE 41 Ca -0.23 1.19 -0.06 0.00 1.01 0.00 0.00 57.45 59.36 3bmp n PHE 41 Cb 1.05 -2.15 -0.02 0.00 -0.01 0.00 0.00 39.48 38.35 3bmp n PHE 41 CO 0.00 0.00 0.00 1.52 1.01 0.00 0.00 176.76 179.29 3bmp s TYR 42 N -2.02 -0.25 0.03 1.38 1.13 -0.50 -4.70 117.35 112.43 3bmp s TYR 42 Ca 0.00 -0.03 0.05 0.00 -1.41 0.00 0.00 57.07 55.68 3bmp s TYR 42 Cb 0.00 0.62 -0.03 0.00 -1.10 0.00 0.00 41.96 41.44 3bmp s TYR 42 CO 0.00 -0.84 -0.11 0.00 -2.51 0.00 0.00 175.55 172.09 3bmp s HIS 44 N -1.00 -0.35 0.00 0.00 5.04 -0.97 -4.86 115.29 113.15 3bmp s HIS 44 Ca 0.17 0.46 0.00 0.00 -1.54 0.00 0.00 55.06 54.15 3bmp s HIS 44 Cb -0.11 0.48 0.00 0.00 0.04 0.00 0.00 32.58 32.99 3bmp s HIS 44 CO 0.08 -0.40 0.00 0.41 -2.34 0.00 0.00 174.74 172.49 3bmp n GLY 45 N 0.37 4.17 3.74 1.59 0.00 -1.26 -1.44 105.19 112.35 3bmp n GLY 45 Ca -0.09 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.38 3bmp n GLY 45 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3bmp n GLU 46 N -0.56 1.50 -3.43 1.61 2.13 -0.99 -3.54 120.64 117.37 3bmp n GLU 46 Ca 0.00 0.56 -0.44 0.00 0.66 0.00 0.00 57.16 57.94 3bmp n GLU 46 Cb 0.00 -2.57 -0.04 0.00 0.27 0.00 0.00 31.44 29.10 3bmp n GLU 46 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3bmp n PRO 48 N 3.86 0.23 -0.05 0.00 -0.04 -1.26 -4.58 135.00 133.16 3bmp n PRO 48 Ca 0.12 0.14 -0.15 0.00 -0.04 0.00 0.00 63.50 63.57 3bmp n PRO 48 Cb 0.45 -2.18 -0.07 0.00 -0.04 0.00 0.00 33.50 31.65 3bmp n PRO 48 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 3bmp h PHE 49 N -0.72 0.71 0.00 0.54 3.57 -1.98 -3.02 116.94 116.05 3bmp h PHE 49 Ca -0.46 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 60.77 3bmp h PHE 49 Cb 1.32 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.93 3bmp h PHE 49 CO 0.41 1.02 0.00 -2.30 -2.23 0.00 0.00 178.31 175.22 3bmp n PRO 50 N -4.28 0.13 -3.21 6.41 -0.02 -1.26 -4.86 135.00 127.90 3bmp n PRO 50 Ca -0.07 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.34 3bmp n PRO 50 Cb 0.53 -1.17 0.01 0.00 -0.02 0.00 0.00 33.50 32.86 3bmp n PRO 50 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3bmp n LEU 51 N -0.67 -3.31 -4.58 2.45 4.77 -1.14 -4.86 117.00 109.67 3bmp n LEU 51 Ca 0.01 0.29 -0.50 0.00 -0.03 0.00 0.00 56.01 55.78 3bmp n LEU 51 Cb 0.00 -1.55 -0.05 0.00 -2.33 0.00 0.00 43.42 39.50 3bmp n LEU 51 CO 0.01 -1.13 0.75 0.00 -1.33 0.00 0.00 177.39 175.68 3bmp n ALA 52 N 1.01 -0.97 0.15 -1.18 0.00 -1.26 -4.94 120.51 113.32 3bmp n ALA 52 Ca -0.02 0.48 -0.06 0.00 0.00 0.00 0.00 53.44 53.84 3bmp n ALA 52 Cb 0.53 -2.02 -0.03 0.00 0.00 0.00 0.00 19.45 17.93 3bmp n ALA 52 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3bmp h ASP 53 N 3.60 -0.33 -0.93 0.00 1.82 -2.03 -3.16 116.42 115.39 3bmp h ASP 53 Ca -0.44 0.01 0.34 0.00 -0.39 0.00 0.00 57.03 56.55 3bmp h ASP 53 Cb 1.35 0.09 -0.17 0.00 0.68 0.00 0.00 39.33 41.27 3bmp h ASP 53 CO 0.71 -0.19 0.32 0.00 -1.61 0.00 0.00 179.24 178.47 3bmp n HIS 54 N -3.33 0.90 -2.47 0.28 1.44 -1.26 -4.17 115.22 106.60 3bmp n HIS 54 Ca -0.05 1.11 -0.41 0.00 -2.01 0.00 0.00 57.72 56.36 3bmp n HIS 54 Cb 0.16 -1.39 -0.04 0.00 0.12 0.00 0.00 29.99 28.84 3bmp n HIS 54 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 3bmp s LEU 55 N -10.42 4.45 -0.11 2.39 2.96 -1.20 -5.03 118.68 111.73 3bmp s LEU 55 Ca -0.10 2.08 -0.07 0.00 -0.22 0.00 0.00 54.13 55.82 3bmp s LEU 55 Cb 0.30 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.35 3bmp s LEU 55 CO 0.73 -0.31 0.15 0.21 -1.32 0.00 0.00 176.35 175.81 3bmp s ASN 56 N 0.24 6.41 0.00 3.68 3.84 -1.26 -4.78 114.94 123.06 3bmp s ASN 56 Ca 0.52 0.49 0.02 0.00 0.21 0.00 0.00 52.86 54.10 3bmp s ASN 56 Cb -0.30 -2.08 -0.01 0.00 -0.55 0.00 0.00 41.25 38.32 3bmp s ASN 56 CO 0.34 0.40 -0.06 -0.44 -2.79 0.00 0.00 177.10 174.55 3bmp s SER 57 N -1.06 0.71 0.87 -4.21 0.01 -1.26 -1.43 113.70 107.34 3bmp s SER 57 Ca 0.16 -0.16 -0.12 0.00 1.31 0.00 0.00 55.95 57.13 3bmp s SER 57 Cb -0.12 -0.06 0.12 0.00 0.21 0.00 0.00 66.02 66.16 3bmp s SER 57 CO 0.05 0.04 1.11 0.42 0.41 0.00 0.00 173.24 175.27 3bmp s THR 58 N -0.30 2.47 0.24 1.44 -4.23 -1.22 -4.82 115.64 109.22 3bmp s THR 58 Ca 0.01 0.15 -0.06 0.00 -1.18 0.00 0.00 61.69 60.61 3bmp s THR 58 Cb -0.03 -2.86 0.22 0.00 1.34 0.00 0.00 72.50 71.17 3bmp s THR 58 CO -0.00 -0.20 1.87 0.78 -0.54 0.00 0.00 174.62 176.53 3bmp h ASN 59 N -1.38 0.91 -0.01 3.99 2.35 -2.00 -1.71 115.58 117.73 3bmp h ASN 59 Ca -0.49 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 3bmp h ASN 59 Cb 1.30 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 39.48 3bmp h ASN 59 CO 0.60 0.60 -0.00 -0.74 -1.65 0.00 0.00 177.43 176.24 3bmp h HIS 60 N 1.06 -0.01 -0.83 1.19 2.76 -1.95 -0.43 115.15 116.95 3bmp h HIS 60 Ca 0.37 0.00 0.16 0.00 -2.20 0.00 0.00 60.37 58.70 3bmp h HIS 60 Cb 0.10 0.00 -0.10 0.00 1.55 0.00 0.00 27.41 28.96 3bmp h HIS 60 CO -0.02 -0.00 0.39 0.00 -1.30 0.00 0.00 177.93 176.99 3bmp h ALA 61 N 1.01 1.24 -0.12 5.26 0.00 -1.60 0.19 119.26 125.25 3bmp h ALA 61 Ca 0.01 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3bmp h ALA 61 Cb 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3bmp h ALA 61 CO -0.01 -0.17 0.04 0.82 0.00 0.00 0.00 179.25 179.93 3bmp h ILE 62 N 0.53 1.16 -0.45 0.00 2.04 -0.74 0.16 117.51 120.21 3bmp h ILE 62 Ca 0.47 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 65.87 3bmp h ILE 62 Cb 0.72 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 3bmp h ILE 62 CO -0.40 0.15 0.23 0.58 0.00 0.00 0.00 178.15 178.70 3bmp h VAL 63 N 0.02 0.98 -0.31 1.67 2.07 0.17 -1.36 116.25 119.49 3bmp h VAL 63 Ca 0.04 -0.16 -0.11 0.00 0.82 0.00 0.00 66.70 67.29 3bmp h VAL 63 Cb 0.19 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3bmp h VAL 63 CO -0.00 0.08 -0.28 -0.61 0.02 0.00 0.00 177.57 176.78 3bmp h GLN 64 N 0.46 0.63 -0.30 1.57 4.15 -0.48 -1.23 115.11 119.90 3bmp h GLN 64 Ca 0.19 -0.27 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 3bmp h GLN 64 Cb 0.09 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 3bmp h GLN 64 CO -0.13 0.84 0.18 1.15 -1.93 0.00 0.00 178.83 178.95 3bmp h THR 65 N 0.54 1.10 0.00 2.39 2.02 -0.25 -0.82 112.91 117.90 3bmp h THR 65 Ca 0.07 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 3bmp h THR 65 Cb 0.76 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3bmp h THR 65 CO 0.06 0.10 -0.00 0.25 0.37 0.00 0.00 175.52 176.30 3bmp h LEU 66 N 0.38 -0.00 -0.43 2.58 5.85 -1.04 -2.56 115.31 120.09 3bmp h LEU 66 Ca 0.11 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.79 3bmp h LEU 66 Cb 0.01 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 40.97 3bmp h LEU 66 CO -0.02 0.11 0.03 0.58 -0.34 0.00 0.00 178.44 178.81 3bmp h VAL 67 N -0.12 0.71 -0.95 1.05 2.07 -1.10 -1.32 116.25 116.58 3bmp h VAL 67 Ca -0.00 -0.05 0.19 0.00 0.82 0.00 0.00 66.70 67.65 3bmp h VAL 67 Cb 0.12 0.54 -0.08 0.00 -1.52 0.00 0.00 31.29 30.34 3bmp h VAL 67 CO 0.00 0.03 0.61 -1.13 0.02 0.00 0.00 177.57 177.09 3bmp h ASN 68 N 0.15 0.63 0.67 0.57 -0.73 -0.90 0.33 115.58 116.30 3bmp h ASN 68 Ca 0.22 0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.45 3bmp h ASN 68 Cb 0.30 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 38.84 3bmp h ASN 68 CO -0.33 0.25 0.00 -1.54 -0.37 0.00 0.00 177.43 175.45 3bmp n SER 69 N -4.62 0.00 -0.03 1.15 3.41 -0.51 -2.57 113.62 110.45 3bmp n SER 69 Ca 0.21 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 3bmp n SER 69 Cb 0.60 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3bmp n SER 69 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3bmp n VAL 70 N -1.45 0.00 -3.41 -3.33 0.31 0.57 -4.96 118.33 106.06 3bmp n VAL 70 Ca 0.07 -0.50 0.02 0.00 -0.01 0.00 0.00 64.34 63.92 3bmp n VAL 70 Cb 0.24 1.01 -0.04 0.00 -0.91 0.00 0.00 33.84 34.15 3bmp n VAL 70 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3bmp s ASN 71 N -0.29 -0.72 0.00 4.52 2.47 0.86 -5.06 114.94 116.72 3bmp s ASN 71 Ca 0.01 0.90 0.27 0.00 0.42 0.00 0.00 52.86 54.46 3bmp s ASN 71 Cb 0.01 1.79 0.88 0.00 -1.45 0.00 0.00 41.25 42.48 3bmp s ASN 71 CO 0.02 -0.14 1.64 -1.20 -3.72 0.00 0.00 177.10 173.70 3bmp n SER 72 N 5.14 1.15 0.07 -4.21 7.64 -1.23 -3.61 113.62 118.56 3bmp n SER 72 Ca -0.09 -1.08 0.10 0.00 1.01 0.00 0.00 58.87 58.81 3bmp n SER 72 Cb 0.52 0.08 0.42 0.00 -1.01 0.00 0.00 64.21 64.22 3bmp n SER 72 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3bmp n LYS 73 N -0.39 0.11 -4.05 1.43 4.76 -1.26 -4.48 118.16 114.28 3bmp n LYS 73 Ca 0.15 0.31 -0.35 0.00 -2.87 0.00 0.00 58.31 55.55 3bmp n LYS 73 Cb 0.35 -1.69 -0.11 0.00 -1.84 0.00 0.00 35.03 31.74 3bmp n LYS 73 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3bmp s ILE 74 N -3.15 4.44 0.73 -0.18 -1.09 -1.24 -5.09 121.20 115.61 3bmp s ILE 74 Ca 0.06 -0.15 -0.15 0.00 -2.23 0.00 0.00 60.65 58.18 3bmp s ILE 74 Cb 0.10 -3.01 0.04 0.00 -1.58 0.00 0.00 42.46 38.01 3bmp s ILE 74 CO 0.36 0.44 1.24 -2.84 -1.23 0.00 0.00 174.94 172.91 3bmp s PRO 75 N 0.69 2.10 0.92 2.79 0.02 -1.26 -4.56 135.00 135.69 3bmp s PRO 75 Ca 0.02 1.88 -0.13 0.00 0.02 0.00 0.00 61.00 62.78 3bmp s PRO 75 Cb -0.14 -1.81 0.14 0.00 0.02 0.00 0.00 34.50 32.71 3bmp s PRO 75 CO 0.02 -1.89 1.17 0.15 -0.33 0.00 0.00 177.00 176.12 3bmp s LYS 76 N -3.79 1.08 0.26 5.54 1.02 -1.26 -4.80 119.74 117.78 3bmp s LYS 76 Ca 0.77 0.13 -0.30 0.00 0.02 0.00 0.00 55.97 56.59 3bmp s LYS 76 Cb -0.32 -1.85 -0.09 0.00 -0.52 0.00 0.00 37.83 35.05 3bmp s LYS 76 CO 0.45 -2.21 1.17 0.00 -0.92 0.00 0.00 175.35 173.85 3bmp s ALA 77 N -3.41 3.44 0.49 5.17 0.00 -1.26 -4.99 121.76 121.19 3bmp s ALA 77 Ca 0.65 0.99 -0.14 0.00 0.00 0.00 0.00 51.96 53.46 3bmp s ALA 77 Cb -0.12 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.54 3bmp s ALA 77 CO 0.52 -0.33 0.92 0.00 0.00 0.00 0.00 175.76 176.88 3bmp s VAL 80 N 1.58 2.12 0.19 0.00 -7.23 0.30 -4.18 120.40 113.18 3bmp s VAL 80 Ca 0.20 -1.80 -0.30 0.00 -1.81 0.00 0.00 61.98 58.27 3bmp s VAL 80 Cb -0.13 -2.91 -0.08 0.00 0.56 0.00 0.00 36.38 33.81 3bmp s VAL 80 CO -0.05 0.00 1.21 -2.84 -0.31 0.00 0.00 175.10 173.11 3bmp s PRO 81 N -3.86 4.48 -0.00 4.82 0.02 -1.26 -0.08 135.00 139.12 3bmp s PRO 81 Ca 0.37 1.90 0.04 0.00 0.02 0.00 0.00 61.00 63.33 3bmp s PRO 81 Cb 0.05 -3.23 -0.06 0.00 0.02 0.00 0.00 34.50 31.29 3bmp s PRO 81 CO 0.20 -0.10 0.15 0.25 -0.33 0.00 0.00 177.00 177.17 3bmp n THR 82 N 2.46 0.00 -3.68 0.99 -2.24 0.73 -4.80 114.28 107.74 3bmp n THR 82 Ca 0.04 -0.28 -0.22 0.00 -2.27 0.00 0.00 64.05 61.32 3bmp n THR 82 Cb 0.44 0.77 -0.18 0.00 -2.10 0.00 0.00 70.33 69.26 3bmp n THR 82 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3bmp s GLU 83 N -1.76 0.13 0.43 -0.78 -6.30 -0.95 -4.92 118.70 104.55 3bmp s GLU 83 Ca 0.00 0.20 0.04 0.00 -2.50 0.00 0.00 54.97 52.72 3bmp s GLU 83 Cb 0.03 -0.92 -0.05 0.00 0.00 0.00 0.00 34.13 33.19 3bmp s GLU 83 CO 0.18 -0.40 0.03 -0.51 0.02 0.00 0.00 175.26 174.58 3bmp s LEU 84 N 2.11 2.51 0.17 2.70 1.02 -1.26 0.11 118.68 126.04 3bmp s LEU 84 Ca 0.04 -1.49 -0.09 0.00 0.02 0.00 0.00 54.13 52.61 3bmp s LEU 84 Cb -0.13 -0.69 -0.01 0.00 0.02 0.00 0.00 46.19 45.38 3bmp s LEU 84 CO -0.05 -0.64 0.30 -0.94 0.02 0.00 0.00 176.35 175.04 3bmp s SER 85 N -3.72 0.02 0.41 2.29 1.04 -0.20 -4.80 113.70 108.74 3bmp s SER 85 Ca 0.25 -0.88 0.08 0.00 0.48 0.00 0.00 55.95 55.88 3bmp s SER 85 Cb 0.07 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.63 3bmp s SER 85 CO 0.13 -0.92 0.47 0.00 0.98 0.00 0.00 173.24 173.90 3bmp s ALA 86 N -3.98 4.29 0.04 5.32 0.00 -1.26 -1.10 121.76 125.07 3bmp s ALA 86 Ca 0.18 -1.74 -0.06 0.00 0.00 0.00 0.00 51.96 50.34 3bmp s ALA 86 Cb 0.03 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.78 3bmp s ALA 86 CO 0.01 -0.23 0.12 0.96 0.00 0.00 0.00 175.76 176.62 3bmp s ILE 87 N -2.38 0.13 0.23 0.00 -4.36 -0.73 -4.86 121.20 109.23 3bmp s ILE 87 Ca 0.51 -1.04 -0.13 0.00 -0.26 0.00 0.00 60.65 59.73 3bmp s ILE 87 Cb -0.07 -0.89 -0.08 0.00 1.25 0.00 0.00 42.46 42.68 3bmp s ILE 87 CO 0.30 -0.57 0.61 -0.44 0.24 0.00 0.00 174.94 175.08 3bmp s SER 88 N -2.10 6.75 -0.07 4.36 0.01 -1.26 -0.86 113.70 120.52 3bmp s SER 88 Ca -0.05 1.08 -0.04 0.00 1.31 0.00 0.00 55.95 58.25 3bmp s SER 88 Cb -0.01 -2.29 0.03 0.00 0.21 0.00 0.00 66.02 63.96 3bmp s SER 88 CO -0.04 -0.05 0.17 -0.04 0.41 0.00 0.00 173.24 173.69 3bmp s MET 89 N -2.56 0.13 -0.28 12.44 -1.94 -0.35 -4.38 119.30 122.38 3bmp s MET 89 Ca 0.46 0.37 -0.11 0.00 -1.71 0.00 0.00 55.69 54.70 3bmp s MET 89 Cb -0.12 -0.11 -0.05 0.00 2.01 0.00 0.00 34.83 36.56 3bmp s MET 89 CO 0.20 -0.13 0.18 -1.17 -0.01 0.00 0.00 175.02 174.09 3bmp s LEU 90 N 0.94 4.00 0.00 -0.03 2.96 0.13 -1.61 118.68 125.07 3bmp s LEU 90 Ca -0.07 -0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.87 3bmp s LEU 90 Cb -0.09 -2.11 -0.01 0.00 0.50 0.00 0.00 46.19 44.48 3bmp s LEU 90 CO -0.05 -0.04 0.19 0.00 -1.32 0.00 0.00 176.35 175.13 3bmp n TYR 91 N 4.99 -0.57 -4.00 5.38 4.11 0.43 0.19 117.16 127.68 3bmp n TYR 91 Ca -0.14 -1.61 -0.30 0.00 -0.00 0.00 0.00 57.90 55.84 3bmp n TYR 91 Cb 0.52 0.20 -0.16 0.00 -0.00 0.00 0.00 39.34 39.90 3bmp n TYR 91 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 3bmp s LEU 92 N 0.00 2.18 0.00 -3.48 1.43 -0.66 -0.06 118.68 118.09 3bmp s LEU 92 Ca 0.22 -0.82 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 3bmp s LEU 92 Cb 0.01 -1.23 0.19 0.00 0.03 0.00 0.00 46.19 45.18 3bmp s LEU 92 CO 0.16 -0.13 0.57 -0.90 0.23 0.00 0.00 176.35 176.28 3bmp n ASP 93 N 4.70 -2.18 0.18 2.29 5.68 -0.87 -4.72 116.55 121.62 3bmp n ASP 93 Ca -0.15 -0.74 0.12 0.00 -0.50 0.00 0.00 54.79 53.51 3bmp n ASP 93 Cb 0.47 -0.56 0.63 0.00 -1.14 0.00 0.00 41.12 40.51 3bmp n ASP 93 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3bmp h GLU 94 N 0.00 0.00 -0.56 0.11 9.09 -2.01 -1.18 114.58 120.03 3bmp h GLU 94 Ca -0.23 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.18 3bmp h GLU 94 Cb 0.72 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.82 3bmp h GLU 94 CO 0.15 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.30 3bmp n ASN 95 N -2.31 3.90 -1.42 3.06 3.02 -1.26 -4.95 115.26 115.30 3bmp n ASN 95 Ca -0.02 -2.22 -0.13 0.00 -0.03 0.00 0.00 54.58 52.18 3bmp n ASN 95 Cb 0.06 -0.45 -0.02 0.00 -0.61 0.00 0.00 39.78 38.77 3bmp n ASN 95 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3bmp n GLU 96 N 0.99 -1.04 -3.35 3.52 -0.58 -0.45 -5.00 120.64 114.74 3bmp n GLU 96 Ca 0.21 0.72 -0.37 0.00 -0.42 0.00 0.00 57.16 57.30 3bmp n GLU 96 Cb 0.67 -4.92 -0.06 0.00 -0.57 0.00 0.00 31.44 26.56 3bmp n GLU 96 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3bmp s LYS 97 N -4.34 4.06 -0.30 3.49 1.02 -1.26 -4.86 119.74 117.55 3bmp s LYS 97 Ca 0.00 0.58 -0.24 0.00 0.02 0.00 0.00 55.97 56.33 3bmp s LYS 97 Cb 0.00 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.20 3bmp s LYS 97 CO 0.00 0.58 0.81 0.08 -0.92 0.00 0.00 175.35 175.90 3bmp s VAL 98 N -1.25 4.79 -0.04 3.17 1.01 -1.26 -2.05 120.40 124.76 3bmp s VAL 98 Ca 0.32 1.28 0.05 0.00 0.00 0.00 0.00 61.98 63.63 3bmp s VAL 98 Cb -0.17 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 3bmp s VAL 98 CO 0.18 -0.23 -0.19 -0.69 0.00 0.00 0.00 175.10 174.17 3bmp s VAL 99 N 2.97 2.61 -0.38 2.92 1.01 0.91 -4.97 120.40 125.47 3bmp s VAL 99 Ca 0.33 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 3bmp s VAL 99 Cb -0.14 -1.98 0.10 0.00 0.00 0.00 0.00 36.38 34.36 3bmp s VAL 99 CO 0.12 0.58 0.15 -0.22 0.00 0.00 0.00 175.10 175.73 3bmp s LEU 100 N -0.61 4.97 0.10 3.92 2.96 -1.26 -0.43 118.68 128.34 3bmp s LEU 100 Ca 0.09 -1.92 0.09 0.00 -0.22 0.00 0.00 54.13 52.18 3bmp s LEU 100 Cb -0.11 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 3bmp s LEU 100 CO 0.00 -0.48 -0.22 -0.75 -1.32 0.00 0.00 176.35 173.59 3bmp s LYS 101 N 1.13 1.68 -0.52 1.98 2.20 -0.63 -4.96 119.74 120.62 3bmp s LYS 101 Ca 0.06 -1.21 -0.16 0.00 -0.36 0.00 0.00 55.97 54.31 3bmp s LYS 101 Cb -0.22 -2.03 0.11 0.00 -1.51 0.00 0.00 37.83 34.18 3bmp s LYS 101 CO -0.04 0.48 0.48 1.21 -0.36 0.00 0.00 175.35 177.12 3bmp s ASN 102 N -1.93 6.18 -0.19 1.43 2.47 -1.26 -1.21 114.94 120.43 3bmp s ASN 102 Ca 0.15 -1.62 -0.27 0.00 0.42 0.00 0.00 52.86 51.54 3bmp s ASN 102 Cb -0.10 -2.21 -0.00 0.00 -1.45 0.00 0.00 41.25 37.48 3bmp s ASN 102 CO 0.07 -0.81 0.92 -0.31 -3.72 0.00 0.00 177.10 173.25 3bmp s TYR 103 N 1.68 3.39 0.58 0.43 1.51 -0.04 -4.89 117.35 120.01 3bmp s TYR 103 Ca 0.04 1.35 -0.09 0.00 -1.01 0.00 0.00 57.07 57.35 3bmp s TYR 103 Cb -0.28 -3.13 -0.04 0.00 -0.11 0.00 0.00 41.96 38.41 3bmp s TYR 103 CO 0.04 -0.34 0.96 -0.65 -1.11 0.00 0.00 175.55 174.45 3bmp s GLN 104 N 2.59 3.59 -1.45 -0.62 -1.52 -1.26 -1.77 119.66 119.22 3bmp s GLN 104 Ca 0.41 0.59 -0.09 0.00 -1.95 0.00 0.00 55.36 54.32 3bmp s GLN 104 Cb -0.16 -2.17 0.03 0.00 -0.22 0.00 0.00 33.01 30.50 3bmp s GLN 104 CO 0.10 -0.46 0.94 -0.25 -0.25 0.00 0.00 175.29 175.38 3bmp n ASP 105 N -2.58 -5.73 -0.09 5.90 8.00 -1.24 -4.90 116.55 115.91 3bmp n ASP 105 Ca 0.04 -0.53 -0.15 0.00 0.71 0.00 0.00 54.79 54.86 3bmp n ASP 105 Cb 0.54 -4.56 -0.14 0.00 -0.02 0.00 0.00 41.12 36.94 3bmp n ASP 105 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3bmp n MET 106 N -4.60 0.68 -4.62 -1.24 2.81 -0.54 -4.91 117.12 104.70 3bmp n MET 106 Ca -0.01 0.13 -0.33 0.00 -1.81 0.00 0.00 57.70 55.67 3bmp n MET 106 Cb 0.56 -1.57 -0.13 0.00 -0.71 0.00 0.00 33.22 31.37 3bmp n MET 106 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3bmp s VAL 107 N -2.52 3.45 -0.48 2.03 1.01 -0.26 -4.77 120.40 118.86 3bmp s VAL 107 Ca -0.23 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 3bmp s VAL 107 Cb 0.08 -2.47 0.03 0.00 0.00 0.00 0.00 36.38 34.02 3bmp s VAL 107 CO 0.72 0.52 1.11 -0.69 0.00 0.00 0.00 175.10 176.76 3bmp s VAL 108 N 0.19 4.24 -0.18 2.92 1.01 -0.56 -1.04 120.40 126.98 3bmp s VAL 108 Ca -0.05 1.16 -0.18 0.00 0.00 0.00 0.00 61.98 62.90 3bmp s VAL 108 Cb -0.15 -4.59 -0.21 0.00 0.00 0.00 0.00 36.38 31.44 3bmp s VAL 108 CO 0.04 -1.00 0.28 -0.33 0.00 0.00 0.00 175.10 174.09 3bmp h GLU 109 N 9.22 0.07 -4.94 2.72 4.39 0.46 -3.46 114.58 123.04 3bmp h GLU 109 Ca -0.23 -0.12 -0.32 0.00 0.34 0.00 0.00 59.36 59.03 3bmp h GLU 109 Cb 1.06 0.04 -0.19 0.00 -0.10 0.00 0.00 28.75 29.57 3bmp h GLU 109 CO 1.12 1.06 -0.74 0.20 -1.16 0.00 0.00 179.01 179.48 3bmp s GLY 110 N -5.00 0.78 0.23 -3.84 0.00 -0.09 -4.94 107.32 94.47 3bmp s GLY 110 Ca -0.27 -1.09 0.10 0.00 0.00 0.00 0.00 44.72 43.47 3bmp s GLY 110 CO 0.64 -1.15 -0.13 0.00 0.00 0.00 0.00 173.10 172.46 3bmp s GLY 112 N -3.19 0.20 -0.19 0.00 0.00 0.89 -4.62 107.32 100.42 3bmp s GLY 112 Ca 0.27 -0.53 -0.09 0.00 0.00 0.00 0.00 44.72 44.37 3bmp s GLY 112 CO 0.15 0.37 0.10 0.00 0.00 0.00 0.00 173.10 173.72