#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dpl n LYS 20 N 0.00 1.70 0.12 1.64 3.00 -1.26 -5.06 118.16 118.29 3dpl n LYS 20 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.11 3dpl n LYS 20 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 34.88 3dpl n LYS 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3dpl h ARG 21 N 0.00 0.39 -5.29 1.64 2.47 -2.14 -3.44 114.38 108.00 3dpl h ARG 21 Ca 0.00 -0.66 -0.67 0.00 -1.26 0.00 0.00 59.98 57.40 3dpl h ARG 21 Cb 0.00 0.24 -0.31 0.00 -1.65 0.00 0.00 29.97 28.26 3dpl h ARG 21 CO 0.00 1.31 -0.83 -0.06 0.56 0.00 0.00 179.97 180.96 3dpl s PHE 22 N -2.64 2.69 0.00 3.04 0.40 -1.26 -5.12 117.98 115.10 3dpl s PHE 22 Ca -0.06 -0.94 -0.02 0.00 -0.60 0.00 0.00 56.93 55.31 3dpl s PHE 22 Cb 0.06 -1.80 -0.01 0.00 0.51 0.00 0.00 43.02 41.78 3dpl s PHE 22 CO 0.91 -0.38 0.03 -2.00 0.70 0.00 0.00 175.22 174.48 3dpl s GLU 23 N 0.48 0.22 -0.26 0.44 2.12 -1.26 -5.10 118.70 115.34 3dpl s GLU 23 Ca -0.13 -0.29 -0.28 0.00 0.36 0.00 0.00 54.97 54.64 3dpl s GLU 23 Cb -0.17 0.09 0.01 0.00 0.26 0.00 0.00 34.13 34.32 3dpl s GLU 23 CO 0.05 -0.04 1.00 0.08 -0.54 0.00 0.00 175.26 175.81 3dpl s VAL 24 N -0.80 4.67 -0.22 3.70 1.01 -1.26 -4.90 120.40 122.61 3dpl s VAL 24 Ca -0.09 1.84 -0.04 0.00 0.00 0.00 0.00 61.98 63.68 3dpl s VAL 24 Cb -0.05 -4.29 -0.19 0.00 0.00 0.00 0.00 36.38 31.84 3dpl s VAL 24 CO -0.00 -0.24 -0.04 1.17 0.00 0.00 0.00 175.10 176.00 3dpl n LYS 25 N 6.39 0.67 -3.75 2.72 4.81 -1.26 -5.02 118.16 122.72 3dpl n LYS 25 Ca 0.10 0.23 -0.13 0.00 -0.87 0.00 0.00 58.31 57.64 3dpl n LYS 25 Cb 0.47 -1.59 -0.08 0.00 0.02 0.00 0.00 35.03 33.84 3dpl n LYS 25 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3dpl s LYS 26 N -2.52 0.70 -0.04 1.64 2.20 -1.26 -5.18 119.74 115.28 3dpl s LYS 26 Ca -0.31 -0.19 -0.04 0.00 -0.36 0.00 0.00 55.97 55.07 3dpl s LYS 26 Cb 0.09 0.31 0.01 0.00 -1.51 0.00 0.00 37.83 36.73 3dpl s LYS 26 CO 0.64 -0.20 0.11 -0.46 -0.36 0.00 0.00 175.35 175.08 3dpl s TRP 27 N -1.41 -0.10 -0.41 4.03 -0.00 -1.26 -5.12 118.94 114.68 3dpl s TRP 27 Ca -0.13 0.24 0.04 0.00 -0.00 0.00 0.00 56.10 56.24 3dpl s TRP 27 Cb -0.05 0.03 0.11 0.00 -0.00 0.00 0.00 33.47 33.56 3dpl s TRP 27 CO 0.04 -0.08 0.14 -0.80 -0.00 0.00 0.00 176.95 176.24 3dpl s ASN 28 N -0.11 4.51 0.43 5.86 -0.87 -1.26 -5.11 114.94 118.40 3dpl s ASN 28 Ca -0.02 -2.45 -0.08 0.00 -1.57 0.00 0.00 52.86 48.74 3dpl s ASN 28 Cb -0.02 -1.56 -0.05 0.00 -0.02 0.00 0.00 41.25 39.60 3dpl s ASN 28 CO 0.00 -0.32 0.77 0.00 -2.57 0.00 0.00 177.10 174.97 3dpl s ALA 29 N 0.50 3.39 -0.02 0.60 0.00 -1.26 -5.09 121.76 119.87 3dpl s ALA 29 Ca 0.13 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.74 3dpl s ALA 29 Cb -0.22 -2.63 0.03 0.00 0.00 0.00 0.00 23.12 20.30 3dpl s ALA 29 CO -0.06 -0.16 0.01 0.08 0.00 0.00 0.00 175.76 175.64 3dpl s VAL 30 N -2.53 0.08 -0.03 0.00 1.01 -1.26 -5.14 120.40 112.53 3dpl s VAL 30 Ca 0.49 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.62 3dpl s VAL 30 Cb -0.10 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.10 3dpl s VAL 30 CO 0.38 0.11 -0.09 0.00 0.00 0.00 0.00 175.10 175.50 3dpl s ALA 31 N 0.95 0.89 -0.23 5.51 0.00 -1.26 -5.12 121.76 122.50 3dpl s ALA 31 Ca -0.09 -0.35 -0.07 0.00 0.00 0.00 0.00 51.96 51.46 3dpl s ALA 31 Cb -0.12 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 3dpl s ALA 31 CO -0.02 0.15 0.04 -0.51 0.00 0.00 0.00 175.76 175.42 3dpl s LEU 32 N 0.18 3.36 0.26 0.00 1.43 -1.26 -5.09 118.68 117.56 3dpl s LEU 32 Ca -0.03 -0.21 -0.09 0.00 -1.03 0.00 0.00 54.13 52.77 3dpl s LEU 32 Cb -0.09 -1.89 -0.07 0.00 0.03 0.00 0.00 46.19 44.18 3dpl s LEU 32 CO 0.01 -0.01 0.57 -1.66 0.23 0.00 0.00 176.35 175.49 3dpl s TRP 33 N 1.44 3.44 0.15 0.29 1.48 -1.26 -5.10 118.94 119.37 3dpl s TRP 33 Ca 0.05 0.85 0.03 0.00 -1.06 0.00 0.00 56.10 55.97 3dpl s TRP 33 Cb -0.15 -2.25 -0.01 0.00 -1.16 0.00 0.00 33.47 29.90 3dpl s TRP 33 CO 0.02 0.21 0.11 0.00 -4.06 0.00 0.00 176.95 173.24 3dpl n ALA 34 N -0.41 0.30 -2.58 2.67 0.00 -1.26 -5.09 120.51 114.14 3dpl n ALA 34 Ca 0.00 -0.84 -0.41 0.00 0.00 0.00 0.00 53.44 52.19 3dpl n ALA 34 Cb 0.53 0.66 -0.07 0.00 0.00 0.00 0.00 19.45 20.57 3dpl n ALA 34 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3dpl s TRP 35 N -2.50 3.17 0.00 0.00 0.52 -1.26 -5.02 118.94 113.85 3dpl s TRP 35 Ca 0.15 0.42 0.00 0.00 0.02 0.00 0.00 56.10 56.70 3dpl s TRP 35 Cb 0.01 -3.08 0.00 0.00 -1.15 0.00 0.00 33.47 29.25 3dpl s TRP 35 CO 0.11 -0.57 0.17 -3.47 0.02 0.00 0.00 176.95 173.21 3dpl n ASP 36 N 5.98 0.00 0.00 2.95 2.03 -1.26 -4.46 116.55 121.79 3dpl n ASP 36 Ca -0.01 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.47 3dpl n ASP 36 Cb 0.49 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 3dpl n ASP 36 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 3dpl n ILE 37 N -1.23 0.00 -3.56 5.18 5.41 -1.26 -4.66 119.36 119.23 3dpl n ILE 37 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 3dpl n ILE 37 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 38.90 3dpl n ILE 37 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3dpl s VAL 38 N 0.00 0.00 -0.28 1.39 1.01 -1.26 -4.99 120.40 116.26 3dpl s VAL 38 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 3dpl s VAL 38 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 3dpl s VAL 38 CO 0.00 0.00 1.39 0.52 0.00 0.00 0.00 175.10 177.01 3dpl n VAL 39 N 0.22 0.91 -2.63 2.92 0.31 -1.26 -4.79 118.33 114.01 3dpl n VAL 39 Ca -0.06 -0.53 -0.22 0.00 -0.01 0.00 0.00 64.34 63.52 3dpl n VAL 39 Cb 0.59 -1.72 0.06 0.00 -0.91 0.00 0.00 33.84 31.86 3dpl n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3dpl s ASP 40 N 3.98 5.03 1.07 4.52 -1.08 -1.26 -4.82 116.67 124.10 3dpl s ASP 40 Ca 0.16 -0.13 -0.18 0.00 -0.52 0.00 0.00 52.55 51.88 3dpl s ASP 40 Cb 0.05 -0.61 0.05 0.00 -1.46 0.00 0.00 42.92 40.95 3dpl s ASP 40 CO -0.01 -1.34 -0.10 0.59 0.52 0.00 0.00 175.17 174.83 3dpl n ASN 41 N -2.47 -2.51 -4.44 -0.34 3.02 -1.26 -3.95 115.26 103.31 3dpl n ASN 41 Ca 0.10 -0.01 -0.38 0.00 -0.03 0.00 0.00 54.58 54.26 3dpl n ASN 41 Cb 0.60 -0.95 0.04 0.00 -0.61 0.00 0.00 39.78 38.86 3dpl n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dpl n ALA 43 N -1.80 1.17 0.32 0.00 0.00 -1.26 -3.57 120.51 115.37 3dpl n ALA 43 Ca 0.11 -0.86 -0.13 0.00 0.00 0.00 0.00 53.44 52.57 3dpl n ALA 43 Cb 0.48 -0.38 -0.06 0.00 0.00 0.00 0.00 19.45 19.49 3dpl n ALA 43 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3dpl h ILE 44 N 0.01 0.00 0.00 0.00 2.04 -1.94 -3.42 117.51 114.20 3dpl h ILE 44 Ca -0.51 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.21 3dpl h ILE 44 Cb 1.95 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 3dpl h ILE 44 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.14 3dpl n ARG 46 N 0.00 0.00 -2.05 0.00 0.63 -1.23 -4.83 116.66 109.18 3dpl n ARG 46 Ca 0.00 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.61 3dpl n ARG 46 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3dpl n ARG 46 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 3dpl s ASN 47 N 0.00 6.06 0.19 6.15 -0.87 -1.26 -4.37 114.94 120.84 3dpl s ASN 47 Ca 0.00 1.64 -0.33 0.00 -1.57 0.00 0.00 52.86 52.60 3dpl s ASN 47 Cb 0.00 -2.51 -0.15 0.00 -0.02 0.00 0.00 41.25 38.58 3dpl s ASN 47 CO 0.00 -0.98 1.34 1.57 -2.57 0.00 0.00 177.10 176.46 3dpl n HIS 48 N -2.18 1.82 -0.01 2.20 -0.00 -1.26 -0.00 115.22 115.79 3dpl n HIS 48 Ca 0.07 0.52 0.23 0.00 -0.00 0.00 0.00 57.72 58.54 3dpl n HIS 48 Cb 0.54 -2.40 0.66 0.00 -0.00 0.00 0.00 29.99 28.79 3dpl n HIS 48 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 3dpl h ILE 49 N 3.02 0.25 -0.01 3.57 2.04 -1.82 0.72 117.51 125.29 3dpl h ILE 49 Ca -0.45 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.41 3dpl h ILE 49 Cb 1.30 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3dpl h ILE 49 CO 0.76 0.00 -0.56 0.80 0.00 0.00 0.00 178.15 179.15 3dpl n MET 50 N -3.56 0.46 -3.68 2.37 1.56 -1.26 -4.78 117.12 108.23 3dpl n MET 50 Ca 0.13 -0.33 -0.24 0.00 -0.27 0.00 0.00 57.70 56.99 3dpl n MET 50 Cb 0.91 -1.49 -0.01 0.00 2.15 0.00 0.00 33.22 34.78 3dpl n MET 50 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 3dpl s ASP 51 N -2.77 4.81 0.93 6.12 1.01 0.25 -5.11 116.67 121.91 3dpl s ASP 51 Ca 0.15 -1.04 -0.10 0.00 0.71 0.00 0.00 52.55 52.27 3dpl s ASP 51 Cb 0.18 0.08 0.13 0.00 1.01 0.00 0.00 42.92 44.32 3dpl s ASP 51 CO 0.67 -0.99 1.02 0.18 0.21 0.00 0.00 175.17 176.27 3dpl n LEU 52 N -1.75 2.68 -4.71 1.23 4.77 -1.26 -4.71 117.00 113.25 3dpl n LEU 52 Ca 0.02 0.40 -0.23 0.00 -0.03 0.00 0.00 56.01 56.17 3dpl n LEU 52 Cb 0.63 -1.43 -0.06 0.00 -2.33 0.00 0.00 43.42 40.23 3dpl n LEU 52 CO 0.40 -2.42 -0.26 0.00 -1.33 0.00 0.00 177.39 173.79 3dpl n ILE 54 N -1.02 -0.08 0.07 0.00 5.41 -1.26 0.26 119.36 122.73 3dpl n ILE 54 Ca -0.06 0.42 -0.23 0.00 1.00 0.00 0.00 62.75 63.88 3dpl n ILE 54 Cb 0.59 -0.66 -0.15 0.00 -0.71 0.00 0.00 39.64 38.71 3dpl n ILE 54 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3dpl h GLU 55 N 0.00 0.39 0.34 0.38 5.08 -1.99 -3.33 114.58 115.45 3dpl h GLU 55 Ca 0.15 -0.67 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 3dpl h GLU 55 Cb 0.37 0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3dpl h GLU 55 CO -0.17 1.32 -0.16 0.00 -1.00 0.00 0.00 179.01 179.00 3dpl n GLN 57 N -4.43 0.00 -0.04 0.00 7.27 -0.82 -0.90 117.38 118.46 3dpl n GLN 57 Ca -0.06 0.15 -0.06 0.00 0.07 0.00 0.00 57.00 57.11 3dpl n GLN 57 Cb 0.18 -1.53 -0.03 0.00 2.41 0.00 0.00 30.24 31.27 3dpl n GLN 57 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3dpl n ALA 58 N -1.10 2.07 -1.34 1.69 0.00 -1.23 -4.72 120.51 115.89 3dpl n ALA 58 Ca 0.00 -0.30 -0.21 0.00 0.00 0.00 0.00 53.44 52.93 3dpl n ALA 58 Cb 0.03 0.36 0.16 0.00 0.00 0.00 0.00 19.45 20.00 3dpl n ALA 58 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dpl n ASN 59 N -2.92 4.15 -1.77 0.00 3.02 -0.23 -4.46 115.26 113.06 3dpl n ASN 59 Ca -0.13 -3.69 -0.15 0.00 -0.03 0.00 0.00 54.58 50.57 3dpl n ASN 59 Cb 0.62 -0.80 0.10 0.00 -0.61 0.00 0.00 39.78 39.10 3dpl n ASN 59 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3dpl n GLN 60 N -1.09 1.78 0.00 3.52 7.27 -0.08 -4.11 117.38 124.67 3dpl n GLN 60 Ca 0.54 -1.83 0.13 0.00 0.07 0.00 0.00 57.00 55.91 3dpl n GLN 60 Cb 1.33 -1.72 0.42 0.00 2.41 0.00 0.00 30.24 32.68 3dpl n GLN 60 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3dpl n ALA 61 N -0.42 2.83 -3.00 1.69 0.00 -1.26 -5.00 120.51 115.36 3dpl n ALA 61 Ca 0.36 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3dpl n ALA 61 Cb 1.12 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3dpl n ALA 61 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dpl n SER 62 N -0.16 0.00 -4.61 0.00 3.41 -1.26 -5.27 113.62 105.73 3dpl n SER 62 Ca 0.15 0.00 -0.50 0.00 -0.26 0.00 0.00 58.87 58.26 3dpl n SER 62 Cb 0.37 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.26 3dpl n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dpl n ALA 63 N -3.00 0.81 -3.86 7.33 0.00 -1.26 -5.12 120.51 115.40 3dpl n ALA 63 Ca 0.00 0.16 -0.29 0.00 0.00 0.00 0.00 53.44 53.31 3dpl n ALA 63 Cb 0.00 -2.50 -0.16 0.00 0.00 0.00 0.00 19.45 16.80 3dpl n ALA 63 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3dpl s GLU 67 N 4.80 1.25 -0.88 0.00 2.12 -1.26 -5.01 118.70 119.72 3dpl s GLU 67 Ca 0.99 -0.85 -0.20 0.00 0.36 0.00 0.00 54.97 55.27 3dpl s GLU 67 Cb -0.78 -2.41 -0.23 0.00 0.26 0.00 0.00 34.13 30.96 3dpl s GLU 67 CO 0.52 -0.65 2.38 0.00 -0.54 0.00 0.00 175.26 176.97 3dpl n THR 69 N 7.07 0.00 -4.03 0.00 -2.24 -1.26 -4.78 114.28 109.05 3dpl n THR 69 Ca 0.59 -1.21 -0.26 0.00 -2.27 0.00 0.00 64.05 60.89 3dpl n THR 69 Cb 0.23 -0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 68.23 3dpl n THR 69 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3dpl s VAL 70 N -1.55 4.85 0.00 2.28 -7.23 -1.26 -0.77 120.40 116.72 3dpl s VAL 70 Ca 0.15 -0.94 -0.02 0.00 -1.81 0.00 0.00 61.98 59.36 3dpl s VAL 70 Cb -0.01 -3.50 -0.01 0.00 0.56 0.00 0.00 36.38 33.42 3dpl s VAL 70 CO 0.10 -0.13 0.03 0.00 -0.31 0.00 0.00 175.10 174.79 3dpl s ALA 71 N -1.78 -0.05 0.24 1.32 0.00 -0.58 -4.46 121.76 116.44 3dpl s ALA 71 Ca 0.33 -0.23 0.10 0.00 0.00 0.00 0.00 51.96 52.15 3dpl s ALA 71 Cb -0.10 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 3dpl s ALA 71 CO 0.26 -0.12 -0.08 -1.58 0.00 0.00 0.00 175.76 174.23 3dpl s TRP 72 N -0.89 2.57 0.13 0.00 0.52 0.19 -2.44 118.94 119.02 3dpl s TRP 72 Ca -0.10 -0.25 0.08 0.00 0.02 0.00 0.00 56.10 55.85 3dpl s TRP 72 Cb -0.06 -1.18 -0.04 0.00 -1.15 0.00 0.00 33.47 31.04 3dpl s TRP 72 CO -0.00 0.60 -0.09 0.20 0.02 0.00 0.00 176.95 177.68 3dpl s GLY 73 N -3.34 1.77 0.61 0.98 0.00 -0.42 0.27 107.32 107.20 3dpl s GLY 73 Ca 0.29 -1.32 0.25 0.00 0.00 0.00 0.00 44.72 43.94 3dpl s GLY 73 CO 0.17 -1.31 1.76 -2.08 0.00 0.00 0.00 173.10 171.63 3dpl h VAL 74 N 3.07 0.00 -0.11 1.40 2.07 -0.88 0.78 116.25 122.57 3dpl h VAL 74 Ca -0.48 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3dpl h VAL 74 Cb 1.18 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3dpl h VAL 74 CO 0.53 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.12 3dpl n ASN 76 N -0.19 -4.83 -4.85 0.00 5.15 0.27 -5.00 115.26 105.81 3dpl n ASN 76 Ca 0.08 0.14 -0.35 0.00 -0.60 0.00 0.00 54.58 53.85 3dpl n ASN 76 Cb 0.13 -2.84 -0.06 0.00 -0.53 0.00 0.00 39.78 36.49 3dpl n ASN 76 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 3dpl s HIS 77 N -1.83 3.61 -0.04 1.20 3.76 -1.25 -4.56 115.29 116.18 3dpl s HIS 77 Ca 0.00 0.92 0.04 0.00 -0.15 0.00 0.00 55.06 55.87 3dpl s HIS 77 Cb 0.00 -2.26 -0.00 0.00 1.11 0.00 0.00 32.58 31.43 3dpl s HIS 77 CO 0.00 0.50 -0.16 0.00 -0.85 0.00 0.00 174.74 174.24 3dpl s ALA 78 N -1.38 1.40 0.32 -1.40 0.00 -1.26 -1.30 121.76 118.15 3dpl s ALA 78 Ca 0.33 -0.62 0.05 0.00 0.00 0.00 0.00 51.96 51.72 3dpl s ALA 78 Cb -0.15 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 3dpl s ALA 78 CO 0.18 0.25 0.30 -0.06 0.00 0.00 0.00 175.76 176.43 3dpl s PHE 79 N 0.09 1.59 0.24 0.00 0.40 -1.02 -4.72 117.98 114.55 3dpl s PHE 79 Ca -0.04 -1.58 -0.30 0.00 -0.60 0.00 0.00 56.93 54.42 3dpl s PHE 79 Cb -0.11 -0.59 -0.09 0.00 0.51 0.00 0.00 43.02 42.74 3dpl s PHE 79 CO 0.02 -0.90 1.15 -1.01 0.70 0.00 0.00 175.22 175.18 3dpl s HIS 80 N -3.43 3.49 0.40 0.36 3.76 -1.26 -1.53 115.29 117.08 3dpl s HIS 80 Ca 0.39 1.57 0.10 0.00 -0.15 0.00 0.00 55.06 56.97 3dpl s HIS 80 Cb 0.02 -3.36 0.90 0.00 1.11 0.00 0.00 32.58 31.24 3dpl s HIS 80 CO 0.25 -0.88 1.97 0.35 -0.85 0.00 0.00 174.74 175.58 3dpl h PHE 81 N 4.43 0.58 -0.00 1.40 3.04 -1.22 -1.42 116.94 123.75 3dpl h PHE 81 Ca -0.46 0.02 -0.10 0.00 3.98 0.00 0.00 57.97 61.40 3dpl h PHE 81 Cb 1.21 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.52 3dpl h PHE 81 CO 0.60 0.30 -0.49 0.45 -2.02 0.00 0.00 178.31 177.14 3dpl h HIS 82 N 0.56 0.01 0.22 0.41 3.86 -1.90 -2.38 115.15 115.94 3dpl h HIS 82 Ca 0.29 -0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 59.16 3dpl h HIS 82 Cb 0.39 -0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.88 3dpl h HIS 82 CO -0.00 0.50 -1.51 0.00 0.86 0.00 0.00 177.93 177.79 3dpl h ILE 84 N 0.08 0.29 -0.16 0.00 6.09 -1.45 -2.72 117.51 119.64 3dpl h ILE 84 Ca -0.28 -1.13 -0.14 0.00 -1.37 0.00 0.00 64.86 61.95 3dpl h ILE 84 Cb 2.10 1.90 0.00 0.00 0.47 0.00 0.00 36.82 41.29 3dpl h ILE 84 CO 0.23 0.14 -0.44 0.28 -3.07 0.00 0.00 178.15 175.30 3dpl h SER 85 N 0.00 0.66 -0.66 2.19 0.02 -1.53 -1.90 113.55 112.33 3dpl h SER 85 Ca -0.00 -0.59 -0.08 0.00 -0.84 0.00 0.00 61.79 60.28 3dpl h SER 85 Cb 0.89 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 3dpl h SER 85 CO 0.02 1.13 0.10 -0.09 -1.14 0.00 0.00 176.83 176.85 3dpl h ARG 86 N 0.22 1.10 -0.38 3.45 2.43 -1.56 -3.07 114.38 116.58 3dpl h ARG 86 Ca -0.01 -0.30 -0.11 0.00 -0.81 0.00 0.00 59.98 58.75 3dpl h ARG 86 Cb 1.05 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 3dpl h ARG 86 CO 0.09 1.01 -0.18 2.35 -1.51 0.00 0.00 179.97 181.74 3dpl h TRP 87 N 1.03 0.91 0.00 2.20 7.01 -1.48 -3.05 115.95 122.57 3dpl h TRP 87 Ca 0.20 -0.22 0.00 0.00 2.11 0.00 0.00 58.89 60.98 3dpl h TRP 87 Cb 0.45 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.30 3dpl h TRP 87 CO 0.03 0.97 0.21 -0.07 -2.79 0.00 0.00 178.44 176.79 3dpl h LEU 88 N 0.59 0.00 -0.87 0.65 3.38 -1.24 -0.58 115.31 117.25 3dpl h LEU 88 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3dpl h LEU 88 Cb 0.73 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 3dpl h LEU 88 CO 0.05 0.00 -0.10 0.11 0.09 0.00 0.00 178.44 178.59 3dpl h LYS 89 N 0.00 0.00 0.09 1.13 1.57 -1.56 -3.07 116.57 114.72 3dpl h LYS 89 Ca 0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 3dpl h LYS 89 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3dpl h LYS 89 CO 0.00 0.10 -1.20 1.79 -0.57 0.00 0.00 179.45 179.57 3dpl h THR 90 N 0.00 1.12 -2.34 -0.16 1.35 -1.28 -3.47 112.91 108.14 3dpl h THR 90 Ca -0.00 -2.37 -0.07 0.00 -0.55 0.00 0.00 66.41 63.42 3dpl h THR 90 Cb 0.77 2.74 -0.23 0.00 -1.73 0.00 0.00 68.15 69.71 3dpl h THR 90 CO 0.01 0.64 -0.08 -0.60 -0.25 0.00 0.00 175.52 175.24 3dpl s ARG 91 N -2.43 0.63 -0.37 4.72 3.52 -1.17 -5.07 118.95 118.78 3dpl s ARG 91 Ca -0.21 0.88 -0.07 0.00 -0.13 0.00 0.00 55.73 56.20 3dpl s ARG 91 Cb 0.04 0.23 -0.22 0.00 -1.56 0.00 0.00 34.95 33.44 3dpl s ARG 91 CO 0.74 -0.11 3.38 0.94 -0.81 0.00 0.00 175.30 179.44 3dpl n GLN 92 N 3.32 2.33 -4.33 5.12 -0.06 -1.18 -4.08 117.38 118.50 3dpl n GLN 92 Ca -0.17 -1.25 -0.17 0.00 -2.00 0.00 0.00 57.00 53.42 3dpl n GLN 92 Cb 0.56 -2.17 -0.10 0.00 -4.06 0.00 0.00 30.24 24.47 3dpl n GLN 92 CO 0.00 0.00 0.00 0.14 -0.20 0.00 0.00 177.06 177.00 3dpl s VAL 93 N 1.35 1.06 0.08 1.69 -7.23 -1.26 -1.03 120.40 115.06 3dpl s VAL 93 Ca 0.66 -2.04 -0.30 0.00 -1.81 0.00 0.00 61.98 58.48 3dpl s VAL 93 Cb 0.28 -2.34 -0.06 0.00 0.56 0.00 0.00 36.38 34.82 3dpl s VAL 93 CO -0.01 -0.33 1.17 0.00 -0.31 0.00 0.00 175.10 175.62 3dpl h PRO 95 N 6.46 0.98 0.24 0.00 0.11 -1.95 -3.29 132.00 134.55 3dpl h PRO 95 Ca -0.42 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3dpl h PRO 95 Cb 1.21 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3dpl h PRO 95 CO 0.79 0.65 -0.11 -0.07 -0.21 0.00 0.00 178.00 179.05 3dpl h LEU 96 N 1.01 -0.27 0.00 2.35 3.38 -2.00 -3.46 115.31 116.32 3dpl h LEU 96 Ca 0.48 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.38 3dpl h LEU 96 Cb 0.43 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3dpl h LEU 96 CO -0.25 0.22 0.00 -0.90 0.09 0.00 0.00 178.44 177.60 3dpl n ASP 97 N -4.98 0.00 -1.86 -0.43 5.75 -1.24 -5.05 116.55 108.74 3dpl n ASP 97 Ca -0.05 0.00 0.02 0.00 -0.01 0.00 0.00 54.79 54.75 3dpl n ASP 97 Cb 0.17 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.30 3dpl n ASP 97 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3dpl n ASN 98 N 0.00 1.36 -4.86 -1.12 3.02 -1.26 -4.46 115.26 107.95 3dpl n ASN 98 Ca 0.00 -2.20 -0.32 0.00 -0.03 0.00 0.00 54.58 52.03 3dpl n ASN 98 Cb 0.00 -0.37 -0.05 0.00 -0.61 0.00 0.00 39.78 38.75 3dpl n ASN 98 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3dpl s ARG 99 N -1.51 3.93 0.26 3.52 0.52 -1.26 -4.76 118.95 119.65 3dpl s ARG 99 Ca 0.33 0.67 -0.28 0.00 -0.52 0.00 0.00 55.73 55.92 3dpl s ARG 99 Cb 0.37 -2.35 -0.15 0.00 0.52 0.00 0.00 34.95 33.33 3dpl s ARG 99 CO -0.12 0.01 0.90 -0.85 0.02 0.00 0.00 175.30 175.26 3dpl n GLU 100 N -0.90 0.99 -3.41 3.54 0.00 -1.26 -2.23 120.64 117.36 3dpl n GLU 100 Ca 0.04 0.35 -0.35 0.00 0.00 0.00 0.00 57.16 57.19 3dpl n GLU 100 Cb 0.54 -1.63 -0.06 0.00 0.00 0.00 0.00 31.44 30.29 3dpl n GLU 100 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.13 176.67 3dpl s TRP 101 N -0.97 3.60 -0.22 -1.84 -0.11 -0.19 -4.70 118.94 114.50 3dpl s TRP 101 Ca 0.61 0.99 -0.07 0.00 1.22 0.00 0.00 56.10 58.85 3dpl s TRP 101 Cb -0.77 -2.31 0.10 0.00 -1.50 0.00 0.00 33.47 28.99 3dpl s TRP 101 CO 0.58 0.45 0.45 -2.00 -4.62 0.00 0.00 176.95 171.82 3dpl s GLU 102 N -1.95 0.37 0.21 5.86 2.12 -1.26 -4.93 118.70 119.12 3dpl s GLU 102 Ca 0.37 1.06 -0.32 0.00 0.36 0.00 0.00 54.97 56.44 3dpl s GLU 102 Cb -0.15 0.35 -0.12 0.00 0.26 0.00 0.00 34.13 34.48 3dpl s GLU 102 CO 0.19 -0.29 1.67 -0.06 -0.54 0.00 0.00 175.26 176.24 3dpl s PHE 103 N 2.66 2.91 -0.25 5.30 0.40 -1.26 -0.24 117.98 127.50 3dpl s PHE 103 Ca -0.01 0.47 -0.12 0.00 -0.60 0.00 0.00 56.93 56.67 3dpl s PHE 103 Cb -0.12 -4.09 -0.15 0.00 0.51 0.00 0.00 43.02 39.16 3dpl s PHE 103 CO -0.14 -4.04 -0.18 0.94 0.70 0.00 0.00 175.22 172.50 3dpl n GLN 104 N 3.68 0.61 -3.68 0.44 -0.06 0.14 -4.67 117.38 113.85 3dpl n GLN 104 Ca 0.14 0.30 -0.15 0.00 -2.00 0.00 0.00 57.00 55.30 3dpl n GLN 104 Cb 0.36 -1.56 -0.08 0.00 -4.06 0.00 0.00 30.24 24.90 3dpl n GLN 104 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 3dpl s LYS 105 N -2.49 0.76 -0.04 3.69 2.20 -1.21 -4.96 119.74 117.68 3dpl s LYS 105 Ca -0.35 0.14 0.09 0.00 -0.36 0.00 0.00 55.97 55.49 3dpl s LYS 105 Cb 0.12 0.35 -0.14 0.00 -1.51 0.00 0.00 37.83 36.65 3dpl s LYS 105 CO 0.55 -0.20 0.15 0.66 -0.36 0.00 0.00 175.35 176.15 3dpl n TYR 106 N 1.53 0.00 -1.56 4.03 4.02 -1.26 0.52 117.16 124.44 3dpl n TYR 106 Ca -0.19 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.32 3dpl n TYR 106 Cb 0.56 -0.31 0.05 0.00 -0.02 0.00 0.00 39.34 39.62 3dpl n TYR 106 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dpl n GLY 107 N 2.13 -0.72 0.00 2.72 0.00 -1.26 -4.55 105.19 103.50 3dpl n GLY 107 Ca -0.07 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.82 3dpl n GLY 107 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89