#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2asy n ALA 2 N 0.00 -0.48 -1.83 -5.12 0.00 -1.25 -4.98 120.51 106.86 2asy n ALA 2 Ca 0.00 0.14 -0.41 0.00 0.00 0.00 0.00 53.44 53.17 2asy n ALA 2 Cb 0.00 -1.98 -0.02 0.00 0.00 0.00 0.00 19.45 17.45 2asy n ALA 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2asy s THR 3 N -2.77 2.78 -0.27 0.00 2.01 -0.57 -4.81 115.64 112.02 2asy s THR 3 Ca 0.06 0.73 -0.09 0.00 0.31 0.00 0.00 61.69 62.70 2asy s THR 3 Cb -0.03 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 2asy s THR 3 CO 0.08 0.15 0.14 -0.22 -0.69 0.00 0.00 174.62 174.08 2asy s LEU 4 N -1.21 3.77 0.09 4.42 2.96 -1.26 0.41 118.68 127.85 2asy s LEU 4 Ca 0.52 -0.10 0.07 0.00 -0.22 0.00 0.00 54.13 54.40 2asy s LEU 4 Cb -0.40 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.23 2asy s LEU 4 CO 0.48 -0.04 -0.18 -1.48 -1.32 0.00 0.00 176.35 173.81 2asy s LEU 5 N 1.70 2.28 -0.03 -0.68 2.34 0.12 -4.29 118.68 120.12 2asy s LEU 5 Ca 0.07 -0.64 -0.20 0.00 0.06 0.00 0.00 54.13 53.41 2asy s LEU 5 Cb -0.16 -0.74 -0.05 0.00 -0.56 0.00 0.00 46.19 44.68 2asy s LEU 5 CO 0.08 0.01 0.59 -1.10 -1.06 0.00 0.00 176.35 174.87 2asy s GLN 6 N -1.78 4.33 -0.25 1.48 -0.21 0.12 -0.22 119.66 123.13 2asy s GLN 6 Ca 0.03 0.71 -0.03 0.00 0.02 0.00 0.00 55.36 56.09 2asy s GLN 6 Cb -0.10 -3.37 0.14 0.00 1.00 0.00 0.00 33.01 30.69 2asy s GLN 6 CO 0.03 0.30 0.44 -1.17 -2.12 0.00 0.00 175.29 172.77 2asy s LEU 7 N 0.05 -0.82 0.04 2.90 0.20 0.16 -1.83 118.68 119.37 2asy s LEU 7 Ca 0.31 0.49 -0.15 0.00 0.69 0.00 0.00 54.13 55.47 2asy s LEU 7 Cb -0.18 1.41 0.03 0.00 -0.43 0.00 0.00 46.19 47.02 2asy s LEU 7 CO 0.16 -0.28 0.34 -1.38 -0.29 0.00 0.00 176.35 174.90 2asy s HIS 8 N 2.63 -0.17 0.27 5.38 -3.43 -0.30 -0.18 115.29 119.49 2asy s HIS 8 Ca 0.13 0.08 -0.02 0.00 -0.80 0.00 0.00 55.06 54.45 2asy s HIS 8 Cb -0.15 0.14 -0.02 0.00 -1.43 0.00 0.00 32.58 31.12 2asy s HIS 8 CO -0.17 -0.52 0.30 -0.59 -2.00 0.00 0.00 174.74 171.76 2asy s PHE 9 N -2.45 1.13 0.57 0.38 -0.71 -0.93 -0.05 117.98 115.92 2asy s PHE 9 Ca -0.06 -1.31 -0.16 0.00 -1.04 0.00 0.00 56.93 54.37 2asy s PHE 9 Cb -0.01 -0.35 -0.05 0.00 -1.21 0.00 0.00 43.02 41.40 2asy s PHE 9 CO -0.02 -0.87 1.04 0.00 -1.34 0.00 0.00 175.22 174.03 2asy s ALA 10 N -3.73 2.80 0.77 1.99 0.00 -1.26 0.15 121.76 122.49 2asy s ALA 10 Ca 0.35 0.38 -0.11 0.00 0.00 0.00 0.00 51.96 52.57 2asy s ALA 10 Cb 0.03 -3.22 0.06 0.00 0.00 0.00 0.00 23.12 19.99 2asy s ALA 10 CO 0.17 -0.67 1.09 0.12 0.00 0.00 0.00 175.76 176.47 2asy s PHE 11 N -2.43 2.92 -0.71 0.00 5.36 -0.47 -3.75 117.98 118.89 2asy s PHE 11 Ca 0.63 1.18 0.00 0.00 -0.96 0.00 0.00 56.93 57.78 2asy s PHE 11 Cb -0.15 -3.08 0.00 0.00 -0.34 0.00 0.00 43.02 39.45 2asy s PHE 11 CO 0.34 -1.64 0.00 -1.71 -1.46 0.00 0.00 175.22 170.75 2asy n ASN 12 N -3.35 -3.30 -0.01 6.13 5.15 -1.26 -4.84 115.26 113.77 2asy n ASN 12 Ca 0.07 0.08 -0.01 0.00 -0.60 0.00 0.00 54.58 54.13 2asy n ASN 12 Cb 0.56 -2.07 -0.00 0.00 -0.53 0.00 0.00 39.78 37.74 2asy n ASN 12 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 2asy h GLY 13 N 0.00 0.00 -1.43 8.20 0.00 -1.78 -3.38 103.07 104.68 2asy h GLY 13 Ca -0.17 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.70 2asy h GLY 13 CO 0.22 0.00 0.16 2.56 0.00 0.00 0.00 176.54 179.47 2asy s PRO 14 N -1.20 2.54 0.50 4.80 0.04 -1.26 -3.74 135.00 136.67 2asy s PRO 14 Ca -0.02 -0.25 0.26 0.00 0.04 0.00 0.00 61.00 61.03 2asy s PRO 14 Cb 0.00 -2.27 1.30 0.00 0.04 0.00 0.00 34.50 33.58 2asy s PRO 14 CO 0.03 -0.93 2.00 0.74 0.04 0.00 0.00 177.00 178.88 2asy h PHE 15 N -0.31 0.00 0.00 0.56 -1.00 -1.98 -3.47 116.94 110.74 2asy h PHE 15 Ca -0.44 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.34 2asy h PHE 15 Cb 1.29 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.85 2asy h PHE 15 CO 0.39 0.15 0.00 0.41 -1.61 0.00 0.00 178.31 177.66 2asy n GLY 16 N -0.44 3.14 0.35 -1.45 0.00 -1.26 -4.71 105.19 100.82 2asy n GLY 16 Ca -0.01 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.65 2asy n GLY 16 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2asy h ASP 17 N 0.00 0.37 -1.09 1.61 5.19 -1.96 0.69 116.42 121.23 2asy h ASP 17 Ca 0.00 0.01 0.31 0.00 -0.62 0.00 0.00 57.03 56.72 2asy h ASP 17 Cb 0.00 -0.07 -0.06 0.00 0.18 0.00 0.00 39.33 39.38 2asy h ASP 17 CO 0.00 0.22 0.76 0.00 -3.12 0.00 0.00 179.24 177.11 2asy h ALA 18 N 1.71 2.82 0.00 3.45 0.00 -1.93 0.40 119.26 125.70 2asy h ALA 18 Ca 0.26 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 2asy h ALA 18 Cb 0.49 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2asy h ALA 18 CO -0.07 -1.16 -1.50 -1.33 0.00 0.00 0.00 179.25 175.19 2asy n MET 19 N -4.32 0.55 -0.32 0.00 2.81 0.14 -0.78 117.12 115.19 2asy n MET 19 Ca 0.24 0.23 0.13 0.00 -1.81 0.00 0.00 57.70 56.50 2asy n MET 19 Cb 1.09 -1.46 0.32 0.00 -0.71 0.00 0.00 33.22 32.46 2asy n MET 19 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2asy h ALA 20 N -1.00 1.55 0.00 3.04 0.00 -1.08 -2.35 119.26 119.44 2asy h ALA 20 Ca -0.23 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2asy h ALA 20 Cb 1.20 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2asy h ALA 20 CO -0.14 -0.22 -0.99 -1.91 0.00 0.00 0.00 179.25 175.99 2asy n GLU 21 N -4.91 0.00 0.11 0.00 4.07 0.60 -4.80 120.64 115.71 2asy n GLU 21 Ca 0.23 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.45 2asy n GLU 21 Cb 0.63 -0.84 0.26 0.00 -0.06 0.00 0.00 31.44 31.43 2asy n GLU 21 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 2asy h GLN 22 N 0.00 0.00 -0.13 5.31 1.08 -0.42 -3.09 115.11 117.85 2asy h GLN 22 Ca 0.00 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.05 2asy h GLN 22 Cb 0.99 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.42 2asy h GLN 22 CO 0.00 0.00 -0.58 1.25 -0.95 0.00 0.00 178.83 178.55 2asy h LEU 23 N 0.00 0.47 -0.16 1.46 5.85 -0.38 -1.37 115.31 121.17 2asy h LEU 23 Ca 0.00 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.51 2asy h LEU 23 Cb 0.81 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.64 2asy h LEU 23 CO 0.00 0.94 -0.33 0.50 -0.34 0.00 0.00 178.44 179.22 2asy h LYS 24 N 0.32 -0.37 0.00 1.25 3.64 -1.69 0.13 116.57 119.84 2asy h LYS 24 Ca -0.00 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2asy h LYS 24 Cb 1.10 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2asy h LYS 24 CO 0.10 -0.25 -1.88 -0.35 -2.27 0.00 0.00 179.45 174.80 2asy n PRO 25 N -5.41 0.65 -0.04 1.90 -0.04 -1.25 -4.58 135.00 126.23 2asy n PRO 25 Ca -0.03 -0.15 0.07 0.00 -0.04 0.00 0.00 63.50 63.36 2asy n PRO 25 Cb 0.33 -1.56 0.09 0.00 -0.04 0.00 0.00 33.50 32.31 2asy n PRO 25 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2asy n LEU 26 N -2.34 2.39 -0.30 1.53 4.77 -0.52 -4.75 117.00 117.78 2asy n LEU 26 Ca -0.05 -1.19 -0.04 0.00 -0.03 0.00 0.00 56.01 54.70 2asy n LEU 26 Cb 0.59 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.64 2asy n LEU 26 CO 0.45 0.48 0.60 0.00 -1.33 0.00 0.00 177.39 177.58 2asy h ALA 27 N 2.77 -0.00 0.00 -1.18 0.00 -1.05 0.44 119.26 120.24 2asy h ALA 27 Ca 0.00 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2asy h ALA 27 Cb 0.64 0.93 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 2asy h ALA 27 CO 0.00 -0.68 -0.00 1.05 0.00 0.00 0.00 179.25 179.62 2asy h GLU 28 N -0.09 0.00 0.00 0.00 4.11 -1.85 0.25 114.58 117.01 2asy h GLU 28 Ca 0.28 0.00 -0.41 0.00 0.07 0.00 0.00 59.36 59.30 2asy h GLU 28 Cb 0.57 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 2asy h GLU 28 CO -0.84 0.00 -2.25 0.45 0.07 0.00 0.00 179.01 176.45 2asy n SER 29 N -3.34 1.95 -0.06 3.06 2.88 0.12 -3.83 113.62 114.39 2asy n SER 29 Ca -0.03 0.30 -0.18 0.00 -1.33 0.00 0.00 58.87 57.63 2asy n SER 29 Cb 0.08 -0.81 -0.13 0.00 -0.75 0.00 0.00 64.21 62.60 2asy n SER 29 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 2asy h ILE 30 N -0.86 1.37 0.05 2.46 -0.00 -0.23 -3.37 117.51 116.93 2asy h ILE 30 Ca -0.61 -2.32 -0.27 0.00 -0.00 0.00 0.00 64.86 61.66 2asy h ILE 30 Cb 1.60 2.90 -0.02 0.00 -0.00 0.00 0.00 36.82 41.29 2asy h ILE 30 CO -0.33 0.54 -1.39 -1.13 -0.00 0.00 0.00 178.15 175.84 2asy h ASN 31 N -0.84 0.17 -0.40 2.16 -1.24 -1.04 -3.48 115.58 110.90 2asy h ASN 31 Ca -0.17 -0.23 -0.17 0.00 0.71 0.00 0.00 56.30 56.44 2asy h ASN 31 Cb 1.27 -0.05 -0.07 0.00 0.73 0.00 0.00 38.32 40.20 2asy h ASN 31 CO -0.05 1.19 -0.16 0.00 -1.29 0.00 0.00 177.43 177.12 2asy n GLN 32 N -3.32 -0.81 -4.07 6.67 6.02 0.64 -4.34 117.38 118.17 2asy n GLN 32 Ca -0.11 0.75 -0.27 0.00 -0.01 0.00 0.00 57.00 57.36 2asy n GLN 32 Cb 1.01 -4.66 -0.05 0.00 1.02 0.00 0.00 30.24 27.55 2asy n GLN 32 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 2asy s GLU 33 N -2.52 2.92 -0.14 -1.09 4.04 -1.26 -4.97 118.70 115.69 2asy s GLU 33 Ca 0.00 -0.84 -0.16 0.00 0.04 0.00 0.00 54.97 54.01 2asy s GLU 33 Cb 0.00 -2.67 -0.14 0.00 0.02 0.00 0.00 34.13 31.34 2asy s GLU 33 CO 0.00 0.49 0.34 -1.00 -1.84 0.00 0.00 175.26 173.25 2asy h PRO 34 N 2.49 0.00 0.00 -4.83 0.13 -1.94 -3.36 132.00 124.48 2asy h PRO 34 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2asy h PRO 34 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2asy h PRO 34 CO 0.64 0.56 0.00 0.41 -0.23 0.00 0.00 178.00 179.38 2asy n GLY 35 N 1.64 1.99 5.00 1.56 0.00 -1.26 -4.82 105.19 109.30 2asy n GLY 35 Ca -0.10 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2asy n GLY 35 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2asy n PHE 36 N 0.00 0.00 -0.06 1.61 3.01 -1.26 -0.98 117.46 119.78 2asy n PHE 36 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.45 2asy n PHE 36 Cb 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.46 2asy n PHE 36 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2asy h LEU 37 N 0.00 0.00 0.00 4.37 -0.00 -1.88 -3.50 115.31 114.30 2asy h LEU 37 Ca 0.00 -0.01 0.05 0.00 -0.00 0.00 0.00 57.88 57.92 2asy h LEU 37 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 2asy h LEU 37 CO 0.00 0.57 0.27 -2.67 -0.00 0.00 0.00 178.44 176.61 2asy n TRP 38 N -4.74 -1.32 -4.50 1.13 4.27 -1.20 -5.03 117.44 106.05 2asy n TRP 38 Ca -0.02 -0.86 -0.26 0.00 -3.89 0.00 0.00 57.50 52.47 2asy n TRP 38 Cb 0.07 0.43 -0.08 0.00 -1.36 0.00 0.00 31.31 30.37 2asy n TRP 38 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 2asy s LYS 39 N -2.04 1.96 -0.02 -2.67 1.02 -1.26 -4.55 119.74 112.18 2asy s LYS 39 Ca 0.12 -2.20 -0.18 0.00 0.02 0.00 0.00 55.97 53.72 2asy s LYS 39 Cb -0.02 -0.47 -0.05 0.00 -0.52 0.00 0.00 37.83 36.77 2asy s LYS 39 CO 0.05 -0.54 0.52 0.54 -0.92 0.00 0.00 175.35 175.00 2asy s VAL 40 N -3.21 4.98 -0.67 3.17 0.11 -1.26 -4.88 120.40 118.64 2asy s VAL 40 Ca 0.24 1.08 0.05 0.00 -2.93 0.00 0.00 61.98 60.43 2asy s VAL 40 Cb 0.02 -3.85 0.23 0.00 -1.53 0.00 0.00 36.38 31.25 2asy s VAL 40 CO 0.16 0.45 0.71 -2.67 -3.33 0.00 0.00 175.10 170.43 2asy n TRP 41 N 2.62 3.56 -3.81 1.54 4.27 -1.26 -5.03 117.44 119.33 2asy n TRP 41 Ca -0.09 -4.16 -0.12 0.00 -3.89 0.00 0.00 57.50 49.24 2asy n TRP 41 Cb 0.51 -0.60 -0.10 0.00 -1.36 0.00 0.00 31.31 29.76 2asy n TRP 41 CO 0.00 0.00 0.00 0.99 -2.29 0.00 0.00 177.69 176.39 2asy s THR 42 N -2.27 0.04 -0.30 -1.67 2.01 -1.26 -5.04 115.64 107.16 2asy s THR 42 Ca 0.36 -0.33 0.01 0.00 0.31 0.00 0.00 61.69 62.04 2asy s THR 42 Cb 0.10 -0.43 0.19 0.00 0.01 0.00 0.00 72.50 72.38 2asy s THR 42 CO -0.04 -0.18 0.64 -0.70 -0.69 0.00 0.00 174.62 173.64 2asy s GLU 43 N -0.69 0.53 -0.70 4.92 2.12 -1.26 -3.40 118.70 120.21 2asy s GLU 43 Ca -0.08 0.75 -0.09 0.00 0.36 0.00 0.00 54.97 55.91 2asy s GLU 43 Cb -0.04 0.39 0.18 0.00 0.26 0.00 0.00 34.13 34.92 2asy s GLU 43 CO 0.02 -0.77 0.58 -1.12 -0.54 0.00 0.00 175.26 173.43 2asy s SER 44 N 2.86 6.01 0.19 -1.70 0.01 0.98 -4.88 113.70 117.16 2asy s SER 44 Ca 0.15 -2.67 0.03 0.00 1.31 0.00 0.00 55.95 54.78 2asy s SER 44 Cb -0.12 -2.04 0.09 0.00 0.21 0.00 0.00 66.02 64.15 2asy s SER 44 CO -0.23 -0.51 1.44 1.05 0.41 0.00 0.00 173.24 175.41 2asy h GLU 45 N 7.56 0.23 -0.08 12.44 9.09 -1.96 0.17 114.58 142.02 2asy h GLU 45 Ca 0.01 -0.21 -0.19 0.00 0.05 0.00 0.00 59.36 59.02 2asy h GLU 45 Cb 1.01 0.05 -0.00 0.00 -1.65 0.00 0.00 28.75 28.16 2asy h GLU 45 CO 0.75 0.89 -0.77 1.57 0.05 0.00 0.00 179.01 181.51 2asy h LYS 46 N 0.15 0.45 0.00 1.06 -0.00 -1.92 -3.08 116.57 113.23 2asy h LYS 46 Ca -0.03 -0.39 -0.09 0.00 -0.00 0.00 0.00 60.65 60.14 2asy h LYS 46 Cb 1.35 0.09 -0.01 0.00 -0.00 0.00 0.00 32.23 33.65 2asy h LYS 46 CO 0.12 1.03 -0.65 -0.97 -0.00 0.00 0.00 179.45 178.97 2asy h ASN 47 N 0.30 0.00 -3.71 7.07 -0.73 -1.95 -3.48 115.58 113.08 2asy h ASN 47 Ca -0.04 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.00 2asy h ASN 47 Cb 1.36 0.00 0.08 0.00 0.27 0.00 0.00 38.32 40.03 2asy h ASN 47 CO 0.14 0.40 -0.34 1.41 -0.37 0.00 0.00 177.43 178.66 2asy n HIS 48 N -3.09 -0.98 -3.93 0.67 8.25 0.34 -4.95 115.22 111.53 2asy n HIS 48 Ca -0.00 0.39 -0.09 0.00 -0.26 0.00 0.00 57.72 57.76 2asy n HIS 48 Cb 0.71 -3.29 -0.09 0.00 1.12 0.00 0.00 29.99 28.43 2asy n HIS 48 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2asy s GLU 49 N -4.30 0.58 -0.24 -0.41 2.12 0.24 -1.37 118.70 115.32 2asy s GLU 49 Ca 0.06 -0.75 -0.02 0.00 0.36 0.00 0.00 54.97 54.61 2asy s GLU 49 Cb -0.01 0.23 0.12 0.00 0.26 0.00 0.00 34.13 34.73 2asy s GLU 49 CO 0.32 -0.14 0.27 0.00 -0.54 0.00 0.00 175.26 175.16 2asy s ALA 50 N -2.59 -0.43 0.00 6.30 0.00 0.12 -0.02 121.76 125.15 2asy s ALA 50 Ca -0.05 0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.99 2asy s ALA 50 Cb -0.01 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.55 2asy s ALA 50 CO -0.04 -1.42 0.00 0.41 0.00 0.00 0.00 175.76 174.70 2asy n GLY 51 N 5.32 0.33 0.00 0.00 0.00 -1.22 -2.18 105.19 107.45 2asy n GLY 51 Ca -0.04 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.20 2asy n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2asy n GLY 52 N -0.75 0.41 2.85 -0.02 0.00 0.74 -4.77 105.19 103.65 2asy n GLY 52 Ca 0.00 0.50 -0.14 0.00 0.00 0.00 0.00 46.02 46.38 2asy n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2asy s ILE 53 N 2.54 -0.04 0.30 -0.61 1.01 -1.26 0.37 121.20 123.51 2asy s ILE 53 Ca 0.00 0.16 -0.08 0.00 0.00 0.00 0.00 60.65 60.73 2asy s ILE 53 Cb 0.00 -0.13 0.00 0.00 0.01 0.00 0.00 42.46 42.34 2asy s ILE 53 CO 0.00 0.07 0.50 -0.72 0.00 0.00 0.00 174.94 174.78 2asy s TYR 54 N 0.88 0.66 -0.11 3.97 1.13 0.69 -4.94 117.35 119.64 2asy s TYR 54 Ca -0.07 -0.99 -0.23 0.00 -1.41 0.00 0.00 57.07 54.37 2asy s TYR 54 Cb -0.10 0.12 -0.03 0.00 -1.10 0.00 0.00 41.96 40.85 2asy s TYR 54 CO -0.03 -1.10 0.69 -0.51 -2.51 0.00 0.00 175.55 172.08 2asy s LEU 55 N -3.12 4.27 0.08 -3.49 1.02 -1.26 0.12 118.68 116.30 2asy s LEU 55 Ca 0.26 1.10 0.08 0.00 0.02 0.00 0.00 54.13 55.58 2asy s LEU 55 Cb -0.01 -3.04 -0.04 0.00 0.02 0.00 0.00 46.19 43.13 2asy s LEU 55 CO 0.14 -0.17 -0.17 0.12 0.02 0.00 0.00 176.35 176.29 2asy s PHE 56 N 1.15 2.57 0.15 0.29 5.36 0.17 -3.27 117.98 124.39 2asy s PHE 56 Ca 0.35 -0.25 0.14 0.00 -0.96 0.00 0.00 56.93 56.21 2asy s PHE 56 Cb -0.17 -1.41 0.75 0.00 -0.34 0.00 0.00 43.02 41.85 2asy s PHE 56 CO 0.15 0.33 1.32 0.00 -1.46 0.00 0.00 175.22 175.57 2asy h THR 57 N 3.71 0.00 -2.86 0.12 1.03 -1.34 -1.52 112.91 112.06 2asy h THR 57 Ca -0.49 0.00 0.05 0.00 -0.01 0.00 0.00 66.41 65.96 2asy h THR 57 Cb 1.16 0.31 -0.02 0.00 -1.07 0.00 0.00 68.15 68.53 2asy h THR 57 CO 0.47 0.00 0.35 -0.62 -0.01 0.00 0.00 175.52 175.71 2asy s ASP 58 N -3.46 -0.04 -0.08 0.00 2.15 -1.26 -1.61 116.67 112.37 2asy s ASP 58 Ca -0.02 -0.93 0.01 0.00 0.43 0.00 0.00 52.55 52.05 2asy s ASP 58 Cb 0.04 0.74 -0.06 0.00 -0.30 0.00 0.00 42.92 43.34 2asy s ASP 58 CO 0.13 -1.45 -0.06 -1.84 -0.17 0.00 0.00 175.17 171.78 2asy n GLU 59 N -0.56 0.57 0.03 4.34 -0.00 -1.26 -3.89 120.64 119.87 2asy n GLU 59 Ca -0.06 0.04 -0.12 0.00 -0.00 0.00 0.00 57.16 57.02 2asy n GLU 59 Cb 0.60 -1.17 -0.14 0.00 -0.00 0.00 0.00 31.44 30.74 2asy n GLU 59 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 2asy h LYS 60 N 0.00 0.10 0.00 3.44 2.10 -2.00 -2.89 116.57 117.32 2asy h LYS 60 Ca -0.18 -0.17 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 2asy h LYS 60 Cb 1.30 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.70 2asy h LYS 60 CO -0.02 0.89 0.00 0.77 -2.00 0.00 0.00 179.45 179.09 2asy h SER 61 N 0.03 0.00 0.10 7.07 0.02 -1.98 -2.71 113.55 116.09 2asy h SER 61 Ca -0.19 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 2asy h SER 61 Cb 1.95 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.49 2asy h SER 61 CO 0.13 0.00 -0.05 0.00 -1.14 0.00 0.00 176.83 175.77 2asy h ALA 62 N 2.16 -0.14 0.00 3.77 0.00 -1.63 0.29 119.26 123.72 2asy h ALA 62 Ca 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2asy h ALA 62 Cb 0.79 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2asy h ALA 62 CO 0.00 -0.40 -0.25 1.37 0.00 0.00 0.00 179.25 179.98 2asy h LEU 63 N -0.49 0.00 -0.50 0.00 8.10 -1.53 -2.29 115.31 118.60 2asy h LEU 63 Ca -0.01 0.00 -0.17 0.00 0.11 0.00 0.00 57.88 57.81 2asy h LEU 63 Cb 0.41 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.61 2asy h LEU 63 CO 0.02 0.25 -0.72 0.00 -4.11 0.00 0.00 178.44 173.88 2asy h ALA 64 N 1.75 0.71 0.00 0.17 0.00 -1.30 -3.11 119.26 117.49 2asy h ALA 64 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2asy h ALA 64 Cb 0.70 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2asy h ALA 64 CO 0.03 0.81 0.00 0.66 0.00 0.00 0.00 179.25 180.75 2asy n TYR 65 N -3.78 0.00 -0.17 0.00 4.01 0.08 -3.17 117.16 114.13 2asy n TYR 65 Ca -0.03 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.76 2asy n TYR 65 Cb 0.70 -0.49 0.34 0.00 -0.31 0.00 0.00 39.34 39.57 2asy n TYR 65 CO 0.00 0.00 0.00 1.37 -0.46 0.00 0.00 176.86 177.77 2asy h LEU 66 N 0.00 0.69 -1.61 7.72 8.10 -1.42 0.02 115.31 128.82 2asy h LEU 66 Ca 0.00 -0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.95 2asy h LEU 66 Cb 0.46 -0.15 -0.01 0.00 -0.44 0.00 0.00 40.66 40.52 2asy h LEU 66 CO 0.00 0.46 -0.11 -0.08 -4.11 0.00 0.00 178.44 174.60 2asy h GLU 67 N 0.79 0.11 -0.33 0.17 4.81 -1.75 0.33 114.58 118.71 2asy h GLU 67 Ca 0.29 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.42 2asy h GLU 67 Cb 0.14 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2asy h GLU 67 CO -0.09 0.23 -0.14 -0.22 -0.73 0.00 0.00 179.01 178.06 2asy h LYS 68 N 0.10 0.58 0.05 1.92 1.63 -1.16 0.49 116.57 120.19 2asy h LYS 68 Ca 0.02 -0.18 -0.15 0.00 -0.85 0.00 0.00 60.65 59.49 2asy h LYS 68 Cb 0.27 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 2asy h LYS 68 CO 0.02 0.71 -0.78 0.45 -3.45 0.00 0.00 179.45 176.39 2asy h HIS 69 N 0.53 0.20 -0.98 1.91 3.86 -1.22 -3.36 115.15 116.09 2asy h HIS 69 Ca 0.09 -0.14 0.09 0.00 -1.16 0.00 0.00 60.37 59.25 2asy h HIS 69 Cb 0.55 -0.01 -0.08 0.00 1.06 0.00 0.00 27.41 28.94 2asy h HIS 69 CO 0.02 1.31 0.62 1.15 0.86 0.00 0.00 177.93 181.88 2asy h THR 70 N -0.73 0.99 0.00 2.45 2.02 -0.17 -1.71 112.91 115.76 2asy h THR 70 Ca -0.18 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.64 2asy h THR 70 Cb 1.37 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2asy h THR 70 CO -0.01 0.19 0.00 0.00 0.37 0.00 0.00 175.52 176.07 2asy n ALA 71 N -2.36 1.18 -0.07 6.16 0.00 0.17 0.74 120.51 126.32 2asy n ALA 71 Ca 0.17 0.07 -0.08 0.00 0.00 0.00 0.00 53.44 53.60 2asy n ALA 71 Cb 0.27 -1.17 -0.04 0.00 0.00 0.00 0.00 19.45 18.51 2asy n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2asy h ARG 72 N 0.00 0.00 0.00 0.00 -0.00 -1.50 -3.39 114.38 109.49 2asy h ARG 72 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 59.98 59.35 2asy h ARG 72 Cb 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.03 2asy h ARG 72 CO 0.00 0.27 -0.60 1.37 0.00 0.00 0.00 179.97 181.01 2asy h LEU 73 N -1.00 0.00 -1.45 3.04 8.10 -1.05 -1.34 115.31 121.62 2asy h LEU 73 Ca -0.07 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.86 2asy h LEU 73 Cb 0.59 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.80 2asy h LEU 73 CO -0.04 0.60 -0.28 0.07 -4.11 0.00 0.00 178.44 174.68 2asy h LYS 74 N 0.00 0.00 0.00 0.17 2.10 0.24 0.53 116.57 119.61 2asy h LYS 74 Ca -0.01 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 2asy h LYS 74 Cb 1.42 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.74 2asy h LYS 74 CO 0.08 0.28 -0.33 -0.91 -2.00 0.00 0.00 179.45 176.57 2asy h ASN 75 N 0.00 0.00 0.00 7.07 4.21 -1.70 -3.42 115.58 121.74 2asy h ASN 75 Ca -0.00 -0.51 0.00 0.00 1.21 0.00 0.00 56.30 57.00 2asy h ASN 75 Cb 0.53 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.73 2asy h ASN 75 CO 0.04 0.94 -0.82 0.00 -1.29 0.00 0.00 177.43 176.30 2asy n LEU 76 N -4.62 0.18 0.00 1.61 -0.00 -0.52 -4.96 117.00 108.69 2asy n LEU 76 Ca -0.12 -0.26 0.00 0.00 -0.00 0.00 0.00 56.01 55.63 2asy n LEU 76 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 2asy n LEU 76 CO 0.19 0.05 0.00 0.61 -0.00 0.00 0.00 177.39 178.24 2asy n GLY 77 N 1.60 -0.04 0.00 1.47 0.00 0.15 -4.90 105.19 103.46 2asy n GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2asy n GLY 77 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2asy n VAL 78 N 0.00 0.00 0.00 1.61 3.14 0.10 -4.47 118.33 118.71 2asy n VAL 78 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2asy n VAL 78 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2asy n VAL 78 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2asy n GLU 79 N 0.00 0.00 -3.68 1.45 1.02 -1.26 -4.71 120.64 113.46 2asy n GLU 79 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 2asy n GLU 79 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 2asy n GLU 79 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2asy s GLU 80 N 0.00 1.03 0.14 3.49 2.02 -1.26 -3.70 118.70 120.42 2asy s GLU 80 Ca 0.00 -0.76 -0.30 0.00 0.02 0.00 0.00 54.97 53.93 2asy s GLU 80 Cb 0.00 0.44 -0.07 0.00 0.10 0.00 0.00 34.13 34.61 2asy s GLU 80 CO 0.00 -0.39 1.01 0.08 0.02 0.00 0.00 175.26 175.98 2asy s VAL 81 N -3.82 4.25 -0.40 2.63 1.01 -1.26 -4.62 120.40 118.20 2asy s VAL 81 Ca 0.03 1.91 -0.19 0.00 0.00 0.00 0.00 61.98 63.74 2asy s VAL 81 Cb 0.02 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 32.19 2asy s VAL 81 CO -0.12 0.31 0.53 -0.69 0.00 0.00 0.00 175.10 175.13 2asy s VAL 82 N -0.14 4.98 -0.05 2.92 1.01 0.93 -4.95 120.40 125.10 2asy s VAL 82 Ca 0.48 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.54 2asy s VAL 82 Cb -0.26 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.09 2asy s VAL 82 CO 0.32 -0.39 -0.07 0.00 0.00 0.00 0.00 175.10 174.96 2asy s ALA 83 N 2.44 0.88 0.02 5.51 0.00 -1.26 -1.15 121.76 128.20 2asy s ALA 83 Ca 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.95 2asy s ALA 83 Cb -0.15 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 2asy s ALA 83 CO 0.15 -0.00 -0.03 0.15 0.00 0.00 0.00 175.76 176.03 2asy s LYS 84 N 0.90 0.29 -0.36 0.00 3.01 -0.76 -4.91 119.74 117.90 2asy s LYS 84 Ca -0.11 -0.55 -0.07 0.00 -1.01 0.00 0.00 55.97 54.23 2asy s LYS 84 Cb -0.15 0.08 0.05 0.00 -1.01 0.00 0.00 37.83 36.81 2asy s LYS 84 CO 0.01 -0.04 0.14 0.08 0.51 0.00 0.00 175.35 176.05 2asy s VAL 85 N -1.30 3.80 0.87 3.17 1.01 -1.26 0.16 120.40 126.86 2asy s VAL 85 Ca -0.14 -1.28 -0.09 0.00 0.00 0.00 0.00 61.98 60.47 2asy s VAL 85 Cb -0.09 -3.23 0.19 0.00 0.00 0.00 0.00 36.38 33.25 2asy s VAL 85 CO -0.01 -0.29 1.19 0.72 0.00 0.00 0.00 175.10 176.71 2asy s PHE 86 N 1.38 1.24 -0.04 5.22 -0.71 -1.26 -5.04 117.98 118.77 2asy s PHE 86 Ca 0.00 -0.09 0.01 0.00 -1.04 0.00 0.00 56.93 55.81 2asy s PHE 86 Cb -0.21 -3.63 0.02 0.00 -1.21 0.00 0.00 43.02 38.00 2asy s PHE 86 CO 0.02 -2.37 -0.04 0.34 -1.34 0.00 0.00 175.22 171.83 2asy s ASP 87 N -4.89 0.91 -0.01 1.98 2.15 -1.26 -5.00 116.67 110.55 2asy s ASP 87 Ca 0.73 -0.12 -0.30 0.00 0.43 0.00 0.00 52.55 53.29 2asy s ASP 87 Cb -0.03 -0.43 -0.05 0.00 -0.30 0.00 0.00 42.92 42.12 2asy s ASP 87 CO 0.50 -0.06 1.27 -0.69 -0.17 0.00 0.00 175.17 176.01 2asy s VAL 88 N 0.94 4.01 -0.31 1.11 1.01 -1.26 -4.99 120.40 120.90 2asy s VAL 88 Ca -0.11 1.38 0.02 0.00 0.00 0.00 0.00 61.98 63.27 2asy s VAL 88 Cb -0.14 -3.89 0.09 0.00 0.00 0.00 0.00 36.38 32.44 2asy s VAL 88 CO -0.00 0.02 0.05 0.21 0.00 0.00 0.00 175.10 175.39 2asy s ASN 89 N 1.50 4.36 0.11 3.32 2.47 -1.26 -5.04 114.94 120.39 2asy s ASN 89 Ca 0.59 -1.82 0.26 0.00 0.42 0.00 0.00 52.86 52.32 2asy s ASN 89 Cb -0.28 -1.27 0.99 0.00 -1.45 0.00 0.00 41.25 39.24 2asy s ASN 89 CO 0.25 -0.37 1.82 -1.84 -3.72 0.00 0.00 177.10 173.24 2asy n GLU 90 N 4.54 0.13 -0.04 0.43 -0.00 -1.26 -4.04 120.64 120.40 2asy n GLU 90 Ca -0.01 0.14 0.22 0.00 -0.00 0.00 0.00 57.16 57.52 2asy n GLU 90 Cb 0.42 -1.66 0.70 0.00 -0.00 0.00 0.00 31.44 30.91 2asy n GLU 90 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 2asy h PRO 91 N 0.00 0.00 -0.00 3.44 0.13 -2.05 0.19 132.00 133.71 2asy h PRO 91 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2asy h PRO 91 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 2asy h PRO 91 CO 0.00 0.00 -0.08 1.28 -0.23 0.00 0.00 178.00 178.97 2asy n LEU 92 N -4.31 0.36 0.00 1.56 7.99 -1.26 -3.15 117.00 118.19 2asy n LEU 92 Ca 0.12 0.06 0.12 0.00 -0.01 0.00 0.00 56.01 56.29 2asy n LEU 92 Cb 0.70 -0.19 0.61 0.00 -0.11 0.00 0.00 43.42 44.43 2asy n LEU 92 CO 0.37 0.07 0.90 -0.24 -1.51 0.00 0.00 177.39 176.97 2asy n SER 93 N -1.01 0.00 -0.16 -1.43 2.88 0.66 -1.79 113.62 112.77 2asy n SER 93 Ca 0.15 -0.07 -0.09 0.00 -1.33 0.00 0.00 58.87 57.53 2asy n SER 93 Cb 0.26 -0.28 0.05 0.00 -0.75 0.00 0.00 64.21 63.49 2asy n SER 93 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2asy h GLN 94 N 0.00 0.96 0.00 -1.46 4.15 -1.69 -2.59 115.11 114.48 2asy h GLN 94 Ca 0.00 -0.35 0.00 0.00 0.77 0.00 0.00 58.65 59.07 2asy h GLN 94 Cb 0.22 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.85 2asy h GLN 94 CO 0.00 1.02 -0.24 -0.89 -1.93 0.00 0.00 178.83 176.79 2asy n ILE 95 N -4.14 0.18 0.25 2.39 -0.00 -0.74 -3.09 119.36 114.20 2asy n ILE 95 Ca 0.01 -0.10 0.14 0.00 -0.00 0.00 0.00 62.75 62.80 2asy n ILE 95 Cb 0.40 -0.26 0.44 0.00 -0.00 0.00 0.00 39.64 40.22 2asy n ILE 95 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.55 175.42 2asy h ASN 96 N 0.00 0.00 -0.08 4.38 -1.24 -1.38 -3.28 115.58 113.98 2asy h ASN 96 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2asy h ASN 96 Cb 0.59 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.64 2asy h ASN 96 CO 0.00 0.04 0.00 0.00 -1.29 0.00 0.00 177.43 176.18 2asy n GLN 97 N -3.12 1.41 -0.01 6.67 6.02 -1.18 -2.40 117.38 124.76 2asy n GLN 97 Ca 0.02 -0.37 -0.20 0.00 -0.01 0.00 0.00 57.00 56.43 2asy n GLN 97 Cb 0.42 -1.44 -0.13 0.00 1.02 0.00 0.00 30.24 30.10 2asy n GLN 97 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2asy h ALA 98 N 2.52 0.14 0.00 -1.58 0.00 -1.83 -3.34 119.26 115.18 2asy h ALA 98 Ca 0.00 -0.99 -0.30 0.00 0.00 0.00 0.00 54.91 53.61 2asy h ALA 98 Cb 0.52 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 2asy h ALA 98 CO 0.04 0.66 -2.15 1.63 0.00 0.00 0.00 179.25 179.44 2asy n LYS 99 N -4.10 0.86 -0.12 0.00 4.76 -1.21 -4.47 118.16 113.88 2asy n LYS 99 Ca -0.23 0.07 0.03 0.00 -2.87 0.00 0.00 58.31 55.30 2asy n LYS 99 Cb 0.81 -1.41 0.09 0.00 -1.84 0.00 0.00 35.03 32.67 2asy n LYS 99 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2asy n LEU 100 N -2.90 1.26 0.00 -0.35 4.77 -1.01 -5.20 117.00 113.57 2asy n LEU 100 Ca -0.32 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 2asy n LEU 100 Cb 0.94 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 2asy n LEU 100 CO 0.26 0.27 0.00 0.00 -1.33 0.00 0.00 177.39 176.59