#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 -0.67 -1.76 -5.12 0.00 -1.25 -4.95 120.51 106.77 2asy n ALA 2 Ca 0.00 0.20 -0.40 0.00 0.00 0.00 0.00 53.44 53.24 2asy n ALA 2 Cb 0.00 -2.90 -0.04 0.00 0.00 0.00 0.00 19.45 16.51 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 -2.99 3.52 -0.20 0.00 2.01 -0.43 -4.83 115.64 112.72 2asy s THR 3 Ca 0.22 1.53 -0.09 0.00 0.31 0.00 0.00 61.69 63.67 2asy s THR 3 Cb -0.10 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 2asy s THR 3 CO 0.28 0.37 0.10 -0.22 -0.69 0.00 0.00 174.62 174.46 2asy s LEU 4 N -1.43 3.98 0.05 4.42 2.96 -1.26 0.35 118.68 127.75 2asy s LEU 4 Ca 0.44 0.12 0.03 0.00 -0.22 0.00 0.00 54.13 54.51 2asy s LEU 4 Cb -0.32 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.32 2asy s LEU 4 CO 0.40 0.15 -0.11 -0.22 -1.32 0.00 0.00 176.35 175.26 2asy s LEU 5 N 0.54 2.24 -0.11 -0.68 0.20 0.70 -4.25 118.68 117.32 2asy s LEU 5 Ca 0.06 -0.53 -0.23 0.00 0.69 0.00 0.00 54.13 54.12 2asy s LEU 5 Cb -0.12 -0.35 -0.03 0.00 -0.43 0.00 0.00 46.19 45.26 2asy s LEU 5 CO 0.00 -0.11 0.70 -1.10 -0.29 0.00 0.00 176.35 175.55 2asy s GLN 6 N -1.48 4.37 -0.28 1.98 -0.21 0.61 -0.34 119.66 124.31 2asy s GLN 6 Ca -0.05 0.84 0.00 0.00 0.02 0.00 0.00 55.36 56.17 2asy s GLN 6 Cb -0.09 -3.49 0.16 0.00 1.00 0.00 0.00 33.01 30.58 2asy s GLN 6 CO 0.01 -0.05 0.43 -1.17 -2.12 0.00 0.00 175.29 172.39 2asy s LEU 7 N 1.22 -0.87 0.11 2.90 0.20 0.83 -2.14 118.68 120.93 2asy s LEU 7 Ca 0.36 0.01 -0.13 0.00 0.69 0.00 0.00 54.13 55.05 2asy s LEU 7 Cb -0.17 1.31 0.02 0.00 -0.43 0.00 0.00 46.19 46.91 2asy s LEU 7 CO 0.15 -0.32 0.31 -1.38 -0.29 0.00 0.00 176.35 174.83 2asy s HIS 8 N 2.60 -0.06 0.25 5.38 -3.43 -0.62 -1.53 115.29 117.89 2asy s HIS 8 Ca 0.12 -0.29 -0.09 0.00 -0.80 0.00 0.00 55.06 54.00 2asy s HIS 8 Cb -0.13 0.13 -0.01 0.00 -1.43 0.00 0.00 32.58 31.13 2asy s HIS 8 CO -0.24 -0.63 0.40 -0.59 -2.00 0.00 0.00 174.74 171.68 2asy s PHE 9 N -3.77 0.63 0.54 0.38 -0.71 -0.54 0.15 117.98 114.67 2asy s PHE 9 Ca 0.03 -0.95 -0.20 0.00 -1.04 0.00 0.00 56.93 54.77 2asy s PHE 9 Cb 0.03 -0.01 -0.06 0.00 -1.21 0.00 0.00 43.02 41.77 2asy s PHE 9 CO -0.11 -0.94 1.17 0.00 -1.34 0.00 0.00 175.22 174.00 2asy s ALA 10 N -3.91 2.72 0.66 1.99 0.00 -1.26 -0.28 121.76 121.68 2asy s ALA 10 Ca 0.27 0.93 -0.09 0.00 0.00 0.00 0.00 51.96 53.08 2asy s ALA 10 Cb 0.01 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.75 2asy s ALA 10 CO 0.11 -0.89 1.01 0.12 0.00 0.00 0.00 175.76 176.11 2asy s PHE 11 N -1.64 3.24 -0.37 0.00 5.36 -0.09 -4.02 117.98 120.46 2asy s PHE 11 Ca 0.72 0.80 0.00 0.00 -0.96 0.00 0.00 56.93 57.49 2asy s PHE 11 Cb -0.28 -2.96 0.00 0.00 -0.34 0.00 0.00 43.02 39.45 2asy s PHE 11 CO 0.32 -1.07 0.00 -1.71 -1.46 0.00 0.00 175.22 171.29 2asy n ASN 12 N -2.83 -3.06 -0.05 6.13 2.85 -1.26 -4.79 115.26 112.25 2asy n ASN 12 Ca 0.06 0.07 -0.03 0.00 -0.11 0.00 0.00 54.58 54.56 2asy n ASN 12 Cb 0.58 -1.26 -0.01 0.00 1.24 0.00 0.00 39.78 40.33 2asy n ASN 12 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2asy n GLY 13 N -2.18 -0.85 3.91 8.20 0.00 -1.26 -4.71 105.19 108.31 2asy n GLY 13 Ca -0.04 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 2asy n GLY 13 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2asy s PRO 14 N -1.94 2.44 0.52 1.61 0.04 -1.26 -3.99 135.00 132.41 2asy s PRO 14 Ca -0.11 -0.02 0.30 0.00 0.04 0.00 0.00 61.00 61.21 2asy s PRO 14 Cb 0.02 -2.13 1.30 0.00 0.04 0.00 0.00 34.50 33.72 2asy s PRO 14 CO 0.17 -1.14 1.97 0.74 0.04 0.00 0.00 177.00 178.78 2asy h PHE 15 N -0.59 0.00 0.00 0.56 0.04 -1.96 -3.47 116.94 111.53 2asy h PHE 15 Ca -0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.32 2asy h PHE 15 Cb 1.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.44 2asy h PHE 15 CO 0.39 0.10 0.00 0.41 -0.60 0.00 0.00 178.31 178.61 2asy n GLY 16 N -0.13 3.34 0.30 -1.45 0.00 -1.26 -4.89 105.19 101.11 2asy n GLY 16 Ca -0.00 -0.52 0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 -0.26 1.61 5.19 -1.98 0.97 116.42 121.94 2asy h ASP 17 Ca 0.00 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.49 2asy h ASP 17 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2asy h ASP 17 CO 0.00 0.00 0.32 0.00 -3.12 0.00 0.00 179.24 176.44 2asy h ALA 18 N 1.91 1.89 0.00 3.45 0.00 -1.92 0.45 119.26 125.03 2asy h ALA 18 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2asy h ALA 18 Cb 0.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2asy h ALA 18 CO -0.00 -0.46 -0.62 -1.33 0.00 0.00 0.00 179.25 176.84 2asy n MET 19 N -3.66 0.39 -0.03 0.00 2.81 0.30 -1.13 117.12 115.79 2asy n MET 19 Ca 0.04 0.29 -0.13 0.00 -1.81 0.00 0.00 57.70 56.09 2asy n MET 19 Cb 0.46 -1.34 -0.08 0.00 -0.71 0.00 0.00 33.22 31.55 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 -1.22 -0.73 0.00 3.04 0.00 -1.24 -2.81 119.26 116.30 2asy h ALA 20 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 2asy h ALA 20 Cb 0.62 0.94 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 2asy h ALA 20 CO 0.00 -1.01 -1.77 -1.91 0.00 0.00 0.00 179.25 174.57 2asy n GLU 21 N -5.43 0.33 0.00 0.00 4.07 0.25 -4.67 120.64 115.20 2asy n GLU 21 Ca -0.04 0.08 0.13 0.00 -0.06 0.00 0.00 57.16 57.26 2asy n GLU 21 Cb 0.37 -1.26 0.40 0.00 -0.06 0.00 0.00 31.44 30.89 2asy n GLU 21 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2asy n GLN 22 N -2.92 0.09 0.10 5.31 1.13 0.13 -3.08 117.38 118.14 2asy n GLN 22 Ca -0.24 -0.04 -0.05 0.00 -1.94 0.00 0.00 57.00 54.73 2asy n GLN 22 Cb 0.75 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.62 2asy n GLN 22 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2asy h LEU 23 N 0.10 0.06 0.10 1.08 5.85 -0.85 -2.55 115.31 119.10 2asy h LEU 23 Ca 0.00 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.69 2asy h LEU 23 Cb 0.49 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 2asy h LEU 23 CO 0.00 0.85 -0.53 0.50 -0.34 0.00 0.00 178.44 178.93 2asy h LYS 24 N 0.02 -0.71 0.00 1.25 3.64 -1.73 -0.19 116.57 118.86 2asy h LYS 24 Ca -0.02 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2asy h LYS 24 Cb 1.45 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.43 2asy h LYS 24 CO 0.11 -0.47 -1.16 -0.35 -2.27 0.00 0.00 179.45 175.30 2asy n PRO 25 N -5.43 0.58 -0.01 1.90 -0.04 -1.25 -4.43 135.00 126.32 2asy n PRO 25 Ca -0.08 0.06 0.10 0.00 -0.04 0.00 0.00 63.50 63.54 2asy n PRO 25 Cb 0.41 -1.75 -0.15 0.00 -0.04 0.00 0.00 33.50 31.96 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 -2.54 0.38 -0.28 1.53 4.77 -0.96 -4.59 117.00 115.30 2asy n LEU 26 Ca -0.00 -0.19 0.05 0.00 -0.03 0.00 0.00 56.01 55.83 2asy n LEU 26 Cb 0.54 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.77 2asy n LEU 26 CO 0.41 0.09 0.75 0.00 -1.33 0.00 0.00 177.39 177.32 2asy h ALA 27 N 2.35 0.69 0.00 -1.18 0.00 -1.18 0.58 119.26 120.51 2asy h ALA 27 Ca 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2asy h ALA 27 Cb 0.80 0.55 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2asy h ALA 27 CO 0.00 -0.43 -0.03 1.05 0.00 0.00 0.00 179.25 179.84 2asy h GLU 28 N 0.04 0.00 0.00 0.00 4.11 -1.81 -2.30 114.58 114.62 2asy h GLU 28 Ca 0.42 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.54 2asy h GLU 28 Cb 0.71 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 2asy h GLU 28 CO -0.79 0.03 -2.07 0.43 0.07 0.00 0.00 179.01 176.68 2asy n SER 29 N -3.46 1.83 0.11 3.06 7.64 0.12 -3.46 113.62 119.46 2asy n SER 29 Ca -0.02 0.11 -0.13 0.00 1.01 0.00 0.00 58.87 59.83 2asy n SER 29 Cb 0.13 -0.46 -0.08 0.00 -1.01 0.00 0.00 64.21 62.78 2asy n SER 29 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 2asy h ILE 30 N -0.43 0.87 0.00 0.44 -0.00 -0.10 -3.20 117.51 115.10 2asy h ILE 30 Ca -0.46 -0.60 -0.25 0.00 -0.00 0.00 0.00 64.86 63.55 2asy h ILE 30 Cb 1.51 1.22 -0.04 0.00 -0.00 0.00 0.00 36.82 39.51 2asy h ILE 30 CO -0.21 0.13 -1.33 0.78 -0.00 0.00 0.00 178.15 177.53 2asy h ASN 31 N -0.60 0.02 -3.93 2.16 2.35 -1.63 -3.48 115.58 110.47 2asy h ASN 31 Ca -0.03 -0.02 -0.30 0.00 -0.55 0.00 0.00 56.30 55.40 2asy h ASN 31 Cb 0.44 -0.01 0.07 0.00 0.05 0.00 0.00 38.32 38.87 2asy h ASN 31 CO 0.05 1.02 -0.47 1.67 -1.65 0.00 0.00 177.43 178.04 2asy n GLN 32 N -3.22 -4.62 -3.21 0.81 -0.06 -0.95 -4.57 117.38 101.56 2asy n GLN 32 Ca -0.08 0.65 -0.31 0.00 -2.00 0.00 0.00 57.00 55.27 2asy n GLN 32 Cb 0.99 -5.04 -0.05 0.00 -4.06 0.00 0.00 30.24 22.09 2asy n GLN 32 CO 0.00 0.00 0.00 -1.83 -0.20 0.00 0.00 177.06 175.03 2asy s GLU 33 N -5.64 3.80 -0.04 3.69 -1.05 -1.24 -4.97 118.70 113.25 2asy s GLU 33 Ca 0.31 0.34 -0.02 0.00 -0.15 0.00 0.00 54.97 55.45 2asy s GLU 33 Cb -0.14 -2.54 -0.01 0.00 -0.44 0.00 0.00 34.13 31.00 2asy s GLU 33 CO 0.39 0.18 -0.05 -1.00 0.95 0.00 0.00 175.26 175.73 2asy h PRO 34 N 2.00 0.00 0.00 -4.83 0.14 -1.93 -3.41 132.00 123.96 2asy h PRO 34 Ca -0.47 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.67 2asy h PRO 34 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.32 2asy h PRO 34 CO 0.66 0.00 0.00 0.41 0.14 0.00 0.00 178.00 179.21 2asy n GLY 35 N 1.74 1.92 5.00 1.56 0.00 -1.26 -4.84 105.19 109.31 2asy n GLY 35 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.07 1.61 3.01 -1.26 -1.92 117.46 118.83 2asy n PHE 36 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.41 2asy n PHE 36 Cb 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.45 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 -1.89 -3.49 115.31 114.30 2asy h LEU 37 Ca 0.00 -0.07 0.14 0.00 -0.00 0.00 0.00 57.88 57.95 2asy h LEU 37 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.63 2asy h LEU 37 CO 0.00 0.78 0.49 -2.67 -0.00 0.00 0.00 178.44 177.03 2asy n TRP 38 N -4.63 -1.09 -4.12 1.13 4.27 -1.24 -5.03 117.44 106.73 2asy n TRP 38 Ca -0.08 -0.94 -0.09 0.00 -3.89 0.00 0.00 57.50 52.49 2asy n TRP 38 Cb 0.25 0.46 -0.10 0.00 -1.36 0.00 0.00 31.31 30.56 2asy n TRP 38 CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 2asy s LYS 39 N -2.04 0.68 0.03 -2.67 2.20 -1.26 -4.29 119.74 112.40 2asy s LYS 39 Ca 0.18 -1.19 -0.18 0.00 -0.36 0.00 0.00 55.97 54.43 2asy s LYS 39 Cb -0.02 -0.03 -0.06 0.00 -1.51 0.00 0.00 37.83 36.21 2asy s LYS 39 CO 0.04 -0.05 0.51 0.54 -0.36 0.00 0.00 175.35 176.03 2asy s VAL 40 N -3.39 4.87 -0.88 4.02 0.11 -1.26 -5.00 120.40 118.88 2asy s VAL 40 Ca 0.06 1.08 -0.09 0.00 -2.93 0.00 0.00 61.98 60.10 2asy s VAL 40 Cb 0.04 -3.84 0.23 0.00 -1.53 0.00 0.00 36.38 31.28 2asy s VAL 40 CO -0.06 0.54 0.81 -1.66 -3.33 0.00 0.00 175.10 171.39 2asy s TRP 41 N -0.92 3.86 -0.07 1.54 1.48 -1.26 -4.91 118.94 118.66 2asy s TRP 41 Ca 0.27 -2.47 -0.04 0.00 -1.06 0.00 0.00 56.10 52.80 2asy s TRP 41 Cb -0.18 -3.63 0.03 0.00 -1.16 0.00 0.00 33.47 28.53 2asy s TRP 41 CO 0.16 -0.91 0.17 0.99 -4.06 0.00 0.00 176.95 173.30 2asy s THR 42 N -0.50 -0.03 -0.26 0.66 2.01 -1.26 -5.05 115.64 111.22 2asy s THR 42 Ca 0.23 0.11 -0.03 0.00 0.31 0.00 0.00 61.69 62.31 2asy s THR 42 Cb -0.11 -0.27 0.14 0.00 0.01 0.00 0.00 72.50 72.27 2asy s THR 42 CO -0.08 0.05 0.45 -0.70 -0.69 0.00 0.00 174.62 173.65 2asy s GLU 43 N 0.82 0.41 -0.27 4.92 2.12 -1.26 -2.51 118.70 122.93 2asy s GLU 43 Ca -0.06 0.76 0.02 0.00 0.36 0.00 0.00 54.97 56.05 2asy s GLU 43 Cb -0.08 -0.05 0.07 0.00 0.26 0.00 0.00 34.13 34.34 2asy s GLU 43 CO -0.04 -0.57 -0.05 -1.54 -0.54 0.00 0.00 175.26 172.51 2asy s SER 44 N 2.65 4.29 0.14 -1.70 1.04 -0.66 -4.95 113.70 114.53 2asy s SER 44 Ca 0.13 -1.49 -0.02 0.00 0.48 0.00 0.00 55.95 55.05 2asy s SER 44 Cb -0.15 -1.41 -0.05 0.00 0.10 0.00 0.00 66.02 64.51 2asy s SER 44 CO -0.17 -0.26 1.34 1.05 0.98 0.00 0.00 173.24 176.18 2asy h GLU 45 N 7.82 0.34 0.00 4.02 9.09 -1.96 0.07 114.58 133.95 2asy h GLU 45 Ca -0.15 -0.36 -0.04 0.00 0.05 0.00 0.00 59.36 58.86 2asy h GLU 45 Cb 1.04 0.10 -0.01 0.00 -1.65 0.00 0.00 28.75 28.24 2asy h GLU 45 CO 0.46 1.05 -0.17 1.57 0.05 0.00 0.00 179.01 181.96 2asy h LYS 46 N 0.19 0.00 0.00 1.06 -0.00 -1.93 -2.25 116.57 113.65 2asy h LYS 46 Ca -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.57 2asy h LYS 46 Cb 1.53 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.76 2asy h LYS 46 CO 0.15 0.17 -1.52 -1.71 -0.00 0.00 0.00 179.45 176.54 2asy n ASN 47 N -3.33 0.44 -2.84 7.07 5.15 -1.15 -4.97 115.26 115.62 2asy n ASN 47 Ca 0.00 0.17 -0.19 0.00 -0.60 0.00 0.00 54.58 53.97 2asy n ASN 47 Cb 0.40 1.16 0.06 0.00 -0.53 0.00 0.00 39.78 40.87 2asy n ASN 47 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 2asy n HIS 48 N -2.50 -2.15 -3.69 1.20 8.25 -0.06 -4.97 115.22 111.30 2asy n HIS 48 Ca -0.03 0.74 -0.15 0.00 -0.26 0.00 0.00 57.72 58.02 2asy n HIS 48 Cb 0.59 -4.10 -0.08 0.00 1.12 0.00 0.00 29.99 27.52 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 -5.94 0.78 -0.07 -0.41 2.12 -0.74 -0.91 118.70 113.53 2asy s GLU 49 Ca 0.43 -0.05 -0.03 0.00 0.36 0.00 0.00 54.97 55.68 2asy s GLU 49 Cb -0.19 0.36 0.04 0.00 0.26 0.00 0.00 34.13 34.60 2asy s GLU 49 CO 0.53 -0.22 0.16 0.00 -0.54 0.00 0.00 175.26 175.18 2asy s ALA 50 N -1.26 -0.31 0.00 6.30 0.00 0.62 -1.65 121.76 125.46 2asy s ALA 50 Ca -0.13 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.53 2asy s ALA 50 Cb -0.04 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.62 2asy s ALA 50 CO 0.06 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.07 2asy n GLY 51 N 4.12 0.64 0.00 0.00 0.00 -1.05 -1.47 105.19 107.43 2asy n GLY 51 Ca -0.25 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.03 0.95 3.02 -0.02 0.00 -0.58 -4.73 105.19 103.79 2asy n GLY 52 Ca 0.00 0.33 -0.22 0.00 0.00 0.00 0.00 46.02 46.13 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 2.02 0.91 0.24 -0.61 -1.09 -1.26 -0.12 121.20 121.29 2asy s ILE 53 Ca 0.00 -0.41 -0.12 0.00 -2.23 0.00 0.00 60.65 57.88 2asy s ILE 53 Cb 0.00 -0.82 -0.00 0.00 -1.58 0.00 0.00 42.46 40.06 2asy s ILE 53 CO 0.00 0.28 0.45 -0.72 -1.23 0.00 0.00 174.94 173.73 2asy s TYR 54 N 0.28 0.37 0.01 3.97 1.13 0.54 -4.68 117.35 118.98 2asy s TYR 54 Ca -0.05 -0.73 -0.25 0.00 -1.41 0.00 0.00 57.07 54.63 2asy s TYR 54 Cb -0.10 0.16 -0.05 0.00 -1.10 0.00 0.00 41.96 40.86 2asy s TYR 54 CO 0.01 -0.96 0.76 -0.51 -2.51 0.00 0.00 175.55 172.35 2asy s LEU 55 N -3.01 4.41 0.11 -3.49 1.02 -1.26 -0.21 118.68 116.25 2asy s LEU 55 Ca 0.22 1.40 0.10 0.00 0.02 0.00 0.00 54.13 55.87 2asy s LEU 55 Cb -0.00 -3.22 -0.04 0.00 0.02 0.00 0.00 46.19 42.95 2asy s LEU 55 CO 0.08 -0.04 -0.26 0.12 0.02 0.00 0.00 176.35 176.27 2asy s PHE 56 N 0.25 2.26 0.57 0.29 5.36 0.16 -3.59 117.98 123.27 2asy s PHE 56 Ca 0.39 -0.39 0.35 0.00 -0.96 0.00 0.00 56.93 56.33 2asy s PHE 56 Cb -0.20 -1.24 1.41 0.00 -0.34 0.00 0.00 43.02 42.65 2asy s PHE 56 CO 0.22 0.29 1.64 0.00 -1.46 0.00 0.00 175.22 175.91 2asy h THR 57 N 3.95 0.20 -1.64 0.12 1.03 -1.67 -1.14 112.91 113.77 2asy h THR 57 Ca -0.50 0.00 0.30 0.00 -0.01 0.00 0.00 66.41 66.21 2asy h THR 57 Cb 1.17 0.26 -0.11 0.00 -1.07 0.00 0.00 68.15 68.39 2asy h THR 57 CO 0.40 0.00 0.78 1.51 -0.01 0.00 0.00 175.52 178.20 2asy s ASP 58 N -4.43 -0.07 -0.14 0.00 1.47 -1.26 -1.66 116.67 110.57 2asy s ASP 58 Ca -0.04 -0.19 -0.07 0.00 1.18 0.00 0.00 52.55 53.43 2asy s ASP 58 Cb 0.20 0.21 -0.24 0.00 -0.34 0.00 0.00 42.92 42.75 2asy s ASP 58 CO 0.68 -0.40 0.28 -1.84 0.68 0.00 0.00 175.17 174.57 2asy n GLU 59 N -0.52 0.73 -0.20 2.11 -0.00 -1.26 -3.27 120.64 118.22 2asy n GLU 59 Ca -0.07 0.27 -0.05 0.00 -0.00 0.00 0.00 57.16 57.31 2asy n GLU 59 Cb 0.62 -1.69 0.05 0.00 -0.00 0.00 0.00 31.44 30.42 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 -0.03 0.69 0.00 3.44 2.10 -2.00 -2.28 116.57 118.49 2asy h LYS 60 Ca -0.44 -0.04 -0.13 0.00 -2.00 0.00 0.00 60.65 58.04 2asy h LYS 60 Cb 1.96 -0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 33.12 2asy h LYS 60 CO 0.04 0.46 -0.61 0.66 -2.00 0.00 0.00 179.45 177.99 2asy h SER 61 N 0.71 0.00 -0.12 7.07 4.64 -1.99 -3.34 113.55 120.52 2asy h SER 61 Ca 0.23 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.60 2asy h SER 61 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 2asy h SER 61 CO -0.09 0.61 -0.30 0.00 -0.87 0.00 0.00 176.83 176.19 2asy h ALA 62 N 1.39 -0.33 0.00 5.18 0.00 -1.39 0.44 119.26 124.54 2asy h ALA 62 Ca -0.01 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2asy h ALA 62 Cb 1.35 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 2asy h ALA 62 CO 0.08 -0.77 -0.38 1.37 0.00 0.00 0.00 179.25 179.55 2asy h LEU 63 N -0.38 0.00 -0.26 0.00 -0.00 -1.69 -2.48 115.31 110.50 2asy h LEU 63 Ca 0.10 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.82 2asy h LEU 63 Cb 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.16 2asy h LEU 63 CO -0.33 0.38 -0.75 0.00 -0.00 0.00 0.00 178.44 177.73 2asy h ALA 64 N 1.62 0.61 -0.00 0.17 0.00 -1.42 -3.23 119.26 117.00 2asy h ALA 64 Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2asy h ALA 64 Cb 0.84 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2asy h ALA 64 CO 0.05 0.94 -0.16 0.66 0.00 0.00 0.00 179.25 180.74 2asy n TYR 65 N -3.44 0.00 -0.18 0.00 4.02 0.15 -3.48 117.16 114.22 2asy n TYR 65 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.94 2asy n TYR 65 Cb 0.79 -0.17 0.33 0.00 -0.02 0.00 0.00 39.34 40.27 2asy n TYR 65 CO 0.00 0.00 0.00 1.37 -1.01 0.00 0.00 176.86 177.22 2asy h LEU 66 N 0.76 0.70 -1.62 7.72 8.10 -1.51 -0.53 115.31 128.93 2asy h LEU 66 Ca 0.00 -0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.94 2asy h LEU 66 Cb 0.41 -0.15 -0.01 0.00 -0.44 0.00 0.00 40.66 40.47 2asy h LEU 66 CO 0.00 0.46 -0.21 -0.08 -4.11 0.00 0.00 178.44 174.50 2asy h GLU 67 N 0.80 0.00 -0.53 0.17 4.57 -1.80 0.31 114.58 118.10 2asy h GLU 67 Ca 0.30 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.41 2asy h GLU 67 Cb 0.18 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 2asy h GLU 67 CO -0.09 0.21 0.02 -0.22 -1.18 0.00 0.00 179.01 177.75 2asy h LYS 68 N 0.00 0.88 0.08 1.92 1.63 -1.28 0.50 116.57 120.29 2asy h LYS 68 Ca -0.00 -0.24 -0.20 0.00 -0.85 0.00 0.00 60.65 59.36 2asy h LYS 68 Cb 0.44 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.97 2asy h LYS 68 CO 0.03 0.86 -0.99 0.45 -3.45 0.00 0.00 179.45 176.35 2asy h HIS 69 N 0.82 0.30 -0.96 1.91 3.86 -1.26 -3.36 115.15 116.46 2asy h HIS 69 Ca 0.16 -0.22 0.09 0.00 -1.16 0.00 0.00 60.37 59.23 2asy h HIS 69 Cb 0.45 -0.01 -0.07 0.00 1.06 0.00 0.00 27.41 28.84 2asy h HIS 69 CO 0.03 1.38 0.62 1.15 0.86 0.00 0.00 177.93 181.97 2asy h THR 70 N -0.57 1.02 0.00 2.45 2.02 -0.31 -1.97 112.91 115.54 2asy h THR 70 Ca -0.22 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.60 2asy h THR 70 Cb 1.51 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2asy h THR 70 CO 0.02 0.19 0.13 0.00 0.37 0.00 0.00 175.52 176.23 2asy h ALA 71 N 1.51 1.11 0.00 6.16 0.00 -0.13 0.65 119.26 128.55 2asy h ALA 71 Ca 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 2asy h ALA 71 Cb 0.31 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2asy h ALA 71 CO -0.19 -0.11 -0.28 0.00 0.00 0.00 0.00 179.25 178.67 2asy h ARG 72 N 0.00 0.00 0.00 0.00 -0.00 -1.55 -3.37 114.38 109.45 2asy h ARG 72 Ca 0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 59.98 59.39 2asy h ARG 72 Cb 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.22 2asy h ARG 72 CO 0.00 0.15 -0.43 1.37 0.00 0.00 0.00 179.97 181.07 2asy h LEU 73 N -1.00 0.00 -1.31 3.04 8.10 -1.11 0.71 115.31 123.75 2asy h LEU 73 Ca -0.02 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.92 2asy h LEU 73 Cb 0.37 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.57 2asy h LEU 73 CO -0.01 0.43 -0.02 0.07 -4.11 0.00 0.00 178.44 174.79 2asy h LYS 74 N 0.00 0.44 0.00 0.17 2.10 0.14 0.47 116.57 119.89 2asy h LYS 74 Ca -0.00 -0.09 -0.10 0.00 -2.00 0.00 0.00 60.65 58.46 2asy h LYS 74 Cb 1.14 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.39 2asy h LYS 74 CO 0.06 0.48 -0.56 -0.91 -2.00 0.00 0.00 179.45 176.52 2asy h ASN 75 N 0.43 0.00 0.00 7.07 2.35 -1.62 -3.42 115.58 120.39 2asy h ASN 75 Ca 0.09 -0.65 0.00 0.00 -0.55 0.00 0.00 56.30 55.19 2asy h ASN 75 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 2asy h ASN 75 CO 0.01 1.15 -1.04 0.00 -1.65 0.00 0.00 177.43 175.90 2asy n LEU 76 N -4.55 0.26 0.00 1.61 -0.00 0.20 -4.96 117.00 109.56 2asy n LEU 76 Ca -0.18 -0.25 0.00 0.00 -0.00 0.00 0.00 56.01 55.58 2asy n LEU 76 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 2asy n LEU 76 CO 0.24 0.07 0.00 0.61 -0.00 0.00 0.00 177.39 178.30 2asy n GLY 77 N 1.56 -0.08 0.00 1.47 0.00 0.13 -4.81 105.19 103.47 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 0.57 -4.43 118.33 119.22 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 -0.04 0.00 0.00 -1.06 0.00 0.00 33.84 32.74 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 -0.55 0.00 -3.89 1.45 1.02 -1.26 -4.79 120.64 112.61 2asy n GLU 79 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 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 1.41 0.01 3.49 2.02 -1.26 -3.80 118.70 120.57 2asy s GLU 80 Ca 0.00 -1.09 -0.26 0.00 0.02 0.00 0.00 54.97 53.64 2asy s GLU 80 Cb 0.00 0.47 -0.05 0.00 0.10 0.00 0.00 34.13 34.66 2asy s GLU 80 CO 0.00 -0.58 0.80 0.08 0.02 0.00 0.00 175.26 175.57 2asy s VAL 81 N -3.95 4.82 -0.62 2.63 1.01 -1.26 -4.61 120.40 118.42 2asy s VAL 81 Ca 0.16 1.68 -0.23 0.00 0.00 0.00 0.00 61.98 63.58 2asy s VAL 81 Cb -0.00 -4.14 0.05 0.00 0.00 0.00 0.00 36.38 32.29 2asy s VAL 81 CO 0.03 0.30 0.97 -0.69 0.00 0.00 0.00 175.10 175.71 2asy s VAL 82 N 0.34 4.31 -0.06 2.92 1.01 0.12 -4.92 120.40 124.12 2asy s VAL 82 Ca 0.41 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.37 2asy s VAL 82 Cb -0.20 -4.63 0.02 0.00 0.00 0.00 0.00 36.38 31.57 2asy s VAL 82 CO 0.23 -1.33 -0.05 0.00 0.00 0.00 0.00 175.10 173.95 2asy s ALA 83 N 4.12 0.84 0.07 5.51 0.00 -1.25 -1.59 121.76 129.46 2asy s ALA 83 Ca 0.26 -0.18 -0.06 0.00 0.00 0.00 0.00 51.96 51.99 2asy s ALA 83 Cb -0.14 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 2asy s ALA 83 CO 0.14 -0.12 0.12 0.15 0.00 0.00 0.00 175.76 176.05 2asy s LYS 84 N 1.16 0.76 -0.28 0.00 3.01 -0.91 -4.92 119.74 118.56 2asy s LYS 84 Ca -0.07 -1.03 -0.02 0.00 -1.01 0.00 0.00 55.97 53.84 2asy s LYS 84 Cb -0.14 0.30 0.04 0.00 -1.01 0.00 0.00 37.83 37.02 2asy s LYS 84 CO -0.01 -0.21 -0.02 0.08 0.51 0.00 0.00 175.35 175.69 2asy s VAL 85 N -3.83 2.96 0.66 3.17 1.01 -1.26 -0.28 120.40 122.82 2asy s VAL 85 Ca 0.05 -1.22 0.02 0.00 0.00 0.00 0.00 61.98 60.83 2asy s VAL 85 Cb 0.06 -2.62 0.10 0.00 0.00 0.00 0.00 36.38 33.92 2asy s VAL 85 CO -0.10 0.02 0.91 0.72 0.00 0.00 0.00 175.10 176.65 2asy s PHE 86 N 1.29 1.72 0.15 5.22 -0.12 -1.26 -5.03 117.98 119.95 2asy s PHE 86 Ca -0.03 -0.35 0.05 0.00 -0.05 0.00 0.00 56.93 56.56 2asy s PHE 86 Cb -0.18 -2.78 -0.04 0.00 -0.63 0.00 0.00 43.02 39.38 2asy s PHE 86 CO -0.02 -1.46 -0.12 0.34 -0.05 0.00 0.00 175.22 173.91 2asy s ASP 87 N -4.68 1.96 0.35 1.98 -1.08 -1.26 -4.91 116.67 109.04 2asy s ASP 87 Ca 0.64 -0.97 -0.12 0.00 -0.52 0.00 0.00 52.55 51.58 2asy s ASP 87 Cb -0.06 -0.04 -0.07 0.00 -1.46 0.00 0.00 42.92 41.28 2asy s ASP 87 CO 0.42 -0.27 0.72 0.68 0.52 0.00 0.00 175.17 177.25 2asy s VAL 88 N -3.02 4.78 -0.05 1.11 -7.23 -1.26 -5.07 120.40 109.67 2asy s VAL 88 Ca 0.16 0.68 0.06 0.00 -1.81 0.00 0.00 61.98 61.08 2asy s VAL 88 Cb 0.00 -3.68 -0.01 0.00 0.56 0.00 0.00 36.38 33.25 2asy s VAL 88 CO 0.02 -0.35 -0.25 0.21 -0.31 0.00 0.00 175.10 174.43 2asy s ASN 89 N -2.77 3.11 -0.26 4.85 3.84 -1.26 -5.07 114.94 117.38 2asy s ASN 89 Ca 0.51 -0.49 0.02 0.00 0.21 0.00 0.00 52.86 53.12 2asy s ASN 89 Cb -0.10 -0.72 -0.17 0.00 -0.55 0.00 0.00 41.25 39.71 2asy s ASN 89 CO 0.25 0.27 -0.23 -0.62 -2.79 0.00 0.00 177.10 173.98 2asy n GLU 90 N 2.80 0.65 -0.26 0.43 1.02 -1.26 -4.60 120.64 119.41 2asy n GLU 90 Ca -0.17 0.15 0.11 0.00 -0.02 0.00 0.00 57.16 57.23 2asy n GLU 90 Cb 0.52 -1.52 0.36 0.00 -0.02 0.00 0.00 31.44 30.78 2asy n GLU 90 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2asy h PRO 91 N -0.01 0.71 0.00 3.49 0.13 -2.05 -1.04 132.00 133.24 2asy h PRO 91 Ca -0.58 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2asy h PRO 91 Cb 1.90 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.87 2asy h PRO 91 CO -0.09 0.47 0.00 1.28 -0.23 0.00 0.00 178.00 179.43 2asy n LEU 92 N -4.55 0.00 0.20 1.56 4.77 -1.26 -2.57 117.00 115.15 2asy n LEU 92 Ca 0.16 0.10 0.14 0.00 -0.03 0.00 0.00 56.01 56.39 2asy n LEU 92 Cb 0.42 -0.10 0.55 0.00 -2.33 0.00 0.00 43.42 41.95 2asy n LEU 92 CO 0.30 -0.02 0.92 -1.28 -1.33 0.00 0.00 177.39 175.98 2asy h SER 93 N 0.00 0.00 0.25 -1.43 0.87 -1.43 -2.69 113.55 109.11 2asy h SER 93 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 2asy h SER 93 Cb 0.08 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2asy h SER 93 CO 0.00 0.00 -0.20 -0.61 -0.53 0.00 0.00 176.83 175.49 2asy h GLN 94 N 0.00 0.00 -0.02 2.24 5.75 -1.68 -1.32 115.11 120.08 2asy h GLN 94 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2asy h GLN 94 Cb 0.50 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.05 2asy h GLN 94 CO 0.00 0.20 -0.38 -0.89 -2.65 0.00 0.00 178.83 175.11 2asy n ILE 95 N -4.14 0.00 0.43 2.39 -0.00 -1.02 -4.04 119.36 112.98 2asy n ILE 95 Ca -0.02 -0.29 0.11 0.00 -0.00 0.00 0.00 62.75 62.56 2asy n ILE 95 Cb 0.27 1.21 0.02 0.00 -0.00 0.00 0.00 39.64 41.14 2asy n ILE 95 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 2asy n ASN 96 N 0.15 0.62 -0.28 4.38 2.85 -0.51 -4.30 115.26 118.17 2asy n ASN 96 Ca 0.10 -0.04 0.00 0.00 -0.11 0.00 0.00 54.58 54.53 2asy n ASN 96 Cb 0.48 0.74 0.00 0.00 1.24 0.00 0.00 39.78 42.23 2asy n ASN 96 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2asy n GLN 97 N -2.15 0.71 -0.01 1.20 10.64 -1.14 -3.12 117.38 123.51 2asy n GLN 97 Ca 0.01 0.00 -0.00 0.00 -1.83 0.00 0.00 57.00 55.18 2asy n GLN 97 Cb 0.47 -1.20 -0.00 0.00 -0.86 0.00 0.00 30.24 28.65 2asy n GLN 97 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2asy h ALA 98 N 2.03 0.00 0.00 2.61 0.00 -1.89 -3.34 119.26 118.66 2asy h ALA 98 Ca 0.00 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 2asy h ALA 98 Cb 0.20 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2asy h ALA 98 CO 0.00 0.02 -1.24 -0.22 0.00 0.00 0.00 179.25 177.81 2asy h LYS 99 N -0.14 0.00 -1.16 0.00 1.63 -1.92 -3.31 116.57 111.66 2asy h LYS 99 Ca 0.00 0.00 -0.36 0.00 -0.85 0.00 0.00 60.65 59.44 2asy h LYS 99 Cb 0.02 0.00 -0.18 0.00 -0.60 0.00 0.00 32.23 31.46 2asy h LYS 99 CO 0.00 0.40 0.46 1.28 -3.45 0.00 0.00 179.45 178.14 2asy n LEU 100 N -3.00 5.91 -0.33 5.20 4.77 -1.18 -5.22 117.00 123.14 2asy n LEU 100 Ca -0.07 -3.10 0.15 0.00 -0.03 0.00 0.00 56.01 52.95 2asy n LEU 100 Cb 0.85 -0.84 0.66 0.00 -2.33 0.00 0.00 43.42 41.75 2asy n LEU 100 CO 0.43 1.02 0.95 0.00 -1.33 0.00 0.00 177.39 178.46