#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 -0.59 -2.09 3.04 0.00 -1.24 -4.96 120.51 114.66 2asy n ALA 2 Ca 0.00 0.16 -0.42 0.00 0.00 0.00 0.00 53.44 53.19 2asy n ALA 2 Cb 0.00 -2.14 -0.03 0.00 0.00 0.00 0.00 19.45 17.27 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 -3.00 3.36 -0.24 0.00 2.01 -0.97 -4.81 115.64 111.99 2asy s THR 3 Ca 0.00 1.07 -0.13 0.00 0.31 0.00 0.00 61.69 62.95 2asy s THR 3 Cb -0.00 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 2asy s THR 3 CO 0.00 0.14 0.26 -0.22 -0.69 0.00 0.00 174.62 174.11 2asy s LEU 4 N 0.28 4.09 0.10 4.42 2.96 -1.26 0.63 118.68 129.90 2asy s LEU 4 Ca 0.58 0.21 0.06 0.00 -0.22 0.00 0.00 54.13 54.76 2asy s LEU 4 Cb -0.35 -2.26 -0.03 0.00 0.50 0.00 0.00 46.19 44.04 2asy s LEU 4 CO 0.35 -0.04 -0.14 -1.48 -1.32 0.00 0.00 176.35 173.72 2asy s LEU 5 N 1.44 2.36 -0.13 -0.68 2.34 0.89 -3.72 118.68 121.19 2asy s LEU 5 Ca 0.11 -0.74 -0.21 0.00 0.06 0.00 0.00 54.13 53.35 2asy s LEU 5 Cb -0.15 -0.54 -0.03 0.00 -0.56 0.00 0.00 46.19 44.91 2asy s LEU 5 CO 0.08 -0.12 0.60 -1.10 -1.06 0.00 0.00 176.35 174.74 2asy s GLN 6 N -2.35 4.33 -0.26 1.48 -0.21 0.50 -0.59 119.66 122.57 2asy s GLN 6 Ca 0.05 0.65 -0.02 0.00 0.02 0.00 0.00 55.36 56.06 2asy s GLN 6 Cb -0.07 -3.49 0.13 0.00 1.00 0.00 0.00 33.01 30.59 2asy s GLN 6 CO 0.03 -0.00 0.31 -1.17 -2.12 0.00 0.00 175.29 172.33 2asy s LEU 7 N 1.10 -0.35 0.18 2.90 1.98 0.92 -2.39 118.68 123.01 2asy s LEU 7 Ca 0.31 -0.35 -0.18 0.00 -2.89 0.00 0.00 54.13 51.02 2asy s LEU 7 Cb -0.16 0.67 0.03 0.00 0.66 0.00 0.00 46.19 47.40 2asy s LEU 7 CO 0.13 -0.35 0.51 -1.38 -1.89 0.00 0.00 176.35 173.37 2asy s HIS 8 N 2.41 -0.17 0.36 5.38 -3.43 -0.45 -0.97 115.29 118.42 2asy s HIS 8 Ca 0.10 -0.16 -0.09 0.00 -0.80 0.00 0.00 55.06 54.11 2asy s HIS 8 Cb -0.15 0.38 0.03 0.00 -1.43 0.00 0.00 32.58 31.41 2asy s HIS 8 CO -0.23 -0.87 0.63 -0.59 -2.00 0.00 0.00 174.74 171.68 2asy s PHE 9 N -3.85 0.60 0.62 0.38 -0.71 -0.33 0.08 117.98 114.76 2asy s PHE 9 Ca 0.07 -1.05 -0.15 0.00 -1.04 0.00 0.00 56.93 54.77 2asy s PHE 9 Cb -0.00 0.36 -0.02 0.00 -1.21 0.00 0.00 43.02 42.15 2asy s PHE 9 CO -0.05 -1.35 1.06 0.00 -1.34 0.00 0.00 175.22 173.55 2asy s ALA 10 N -2.71 2.69 0.58 1.99 0.00 -1.26 0.39 121.76 123.43 2asy s ALA 10 Ca 0.23 0.36 -0.16 0.00 0.00 0.00 0.00 51.96 52.39 2asy s ALA 10 Cb -0.03 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 2asy s ALA 10 CO 0.16 -0.95 1.06 0.12 0.00 0.00 0.00 175.76 176.14 2asy s PHE 11 N -2.54 2.99 -0.68 0.00 5.36 0.79 -4.01 117.98 119.89 2asy s PHE 11 Ca 0.63 1.52 -0.03 0.00 -0.96 0.00 0.00 56.93 58.09 2asy s PHE 11 Cb -0.16 -3.01 -0.03 0.00 -0.34 0.00 0.00 43.02 39.47 2asy s PHE 11 CO 0.41 -1.09 0.58 -1.71 -1.46 0.00 0.00 175.22 171.95 2asy n ASN 12 N -1.93 -4.27 -0.02 6.13 2.85 -1.26 -4.89 115.26 111.86 2asy n ASN 12 Ca 0.09 -0.43 -0.03 0.00 -0.11 0.00 0.00 54.58 54.10 2asy n ASN 12 Cb 0.53 -3.43 -0.01 0.00 1.24 0.00 0.00 39.78 38.11 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 -1.28 -0.35 2.46 8.20 0.00 -1.26 -4.05 105.19 108.92 2asy n GLY 13 Ca -0.07 -0.11 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 2asy n GLY 13 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2asy n PRO 14 N -3.26 -0.33 -0.26 1.61 -0.04 -1.26 -3.85 135.00 127.61 2asy n PRO 14 Ca -0.05 -1.52 0.02 0.00 -0.04 0.00 0.00 63.50 61.92 2asy n PRO 14 Cb 0.17 -0.64 0.24 0.00 -0.04 0.00 0.00 33.50 33.22 2asy n PRO 14 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2asy h PHE 15 N -1.00 1.00 0.00 0.54 0.04 -1.99 -3.47 116.94 112.05 2asy h PHE 15 Ca -0.24 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.55 2asy h PHE 15 Cb 0.76 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.58 2asy h PHE 15 CO 0.00 0.58 0.00 0.41 -0.60 0.00 0.00 178.31 178.70 2asy n GLY 16 N -1.41 3.28 0.29 -1.45 0.00 -1.26 -4.82 105.19 99.81 2asy n GLY 16 Ca 0.11 -0.73 0.15 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.57 1.61 3.32 -1.96 0.17 116.42 118.99 2asy h ASP 17 Ca 0.00 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.21 2asy h ASP 17 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2asy h ASP 17 CO 0.00 0.04 0.61 0.00 -1.72 0.00 0.00 179.24 178.17 2asy h ALA 18 N 1.96 2.33 0.00 3.45 0.00 -1.91 0.57 119.26 125.66 2asy h ALA 18 Ca -0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.59 2asy h ALA 18 Cb 0.12 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2asy h ALA 18 CO 0.01 -0.90 -1.99 -1.33 0.00 0.00 0.00 179.25 175.03 2asy n MET 19 N -3.64 0.38 0.26 0.00 2.81 0.53 -1.14 117.12 116.30 2asy n MET 19 Ca 0.11 0.16 0.17 0.00 -1.81 0.00 0.00 57.70 56.34 2asy n MET 19 Cb 0.82 -1.13 0.91 0.00 -0.71 0.00 0.00 33.22 33.11 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 -0.62 1.58 0.00 3.04 0.00 -1.13 -3.19 119.26 118.94 2asy h ALA 20 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2asy h ALA 20 Cb 1.40 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2asy h ALA 20 CO -0.27 -0.19 -0.03 -1.91 0.00 0.00 0.00 179.25 176.85 2asy n GLU 21 N -3.61 0.00 0.00 0.00 4.07 0.33 -4.90 120.64 116.53 2asy n GLU 21 Ca -0.00 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.22 2asy n GLU 21 Cb 0.24 -0.02 0.76 0.00 -0.06 0.00 0.00 31.44 32.36 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 -2.63 0.86 0.03 5.31 6.02 0.17 -1.88 117.38 125.26 2asy n GLN 22 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.12 2asy n GLN 22 Cb 0.02 -1.47 0.49 0.00 1.02 0.00 0.00 30.24 30.30 2asy n GLN 22 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2asy n LEU 23 N -0.97 0.34 0.02 1.08 7.94 -0.30 -1.26 117.00 123.86 2asy n LEU 23 Ca 0.19 0.45 -0.09 0.00 -1.11 0.00 0.00 56.01 55.45 2asy n LEU 23 Cb 0.09 -0.40 -0.07 0.00 0.53 0.00 0.00 43.42 43.57 2asy n LEU 23 CO 0.14 -0.04 0.31 0.50 -1.11 0.00 0.00 177.39 177.19 2asy h LYS 24 N 0.00 -0.15 0.04 1.96 3.64 -1.63 -3.26 116.57 117.17 2asy h LYS 24 Ca 0.00 0.01 -0.34 0.00 -1.27 0.00 0.00 60.65 59.05 2asy h LYS 24 Cb 0.59 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.40 2asy h LYS 24 CO 0.00 0.28 -2.04 -0.35 -2.27 0.00 0.00 179.45 175.07 2asy n PRO 25 N -4.85 0.69 -0.25 1.90 -0.04 -1.24 -4.42 135.00 126.78 2asy n PRO 25 Ca -0.07 0.21 0.10 0.00 -0.04 0.00 0.00 63.50 63.71 2asy n PRO 25 Cb 0.25 -1.68 0.27 0.00 -0.04 0.00 0.00 33.50 32.30 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 -3.16 3.10 -0.29 1.53 4.77 -0.39 -4.49 117.00 118.07 2asy n LEU 26 Ca -0.29 -1.47 0.12 0.00 -0.03 0.00 0.00 56.01 54.34 2asy n LEU 26 Cb 1.06 -0.33 0.29 0.00 -2.33 0.00 0.00 43.42 42.11 2asy n LEU 26 CO 0.41 0.74 0.97 0.00 -1.33 0.00 0.00 177.39 178.17 2asy h ALA 27 N 4.21 1.29 0.00 -1.18 0.00 -1.60 0.54 119.26 122.52 2asy h ALA 27 Ca 0.00 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2asy h ALA 27 Cb 0.82 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2asy h ALA 27 CO 0.00 -0.43 -0.02 1.05 0.00 0.00 0.00 179.25 179.85 2asy h GLU 28 N 0.25 0.00 0.00 0.00 4.11 -1.81 0.11 114.58 117.24 2asy h GLU 28 Ca 0.54 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.92 2asy h GLU 28 Cb 1.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2asy h GLU 28 CO -0.61 0.02 -1.16 0.45 0.07 0.00 0.00 179.01 177.77 2asy n SER 29 N -3.18 1.93 -0.04 3.06 2.88 0.15 -3.90 113.62 114.52 2asy n SER 29 Ca -0.01 0.33 -0.15 0.00 -1.33 0.00 0.00 58.87 57.71 2asy n SER 29 Cb 0.20 -0.74 -0.09 0.00 -0.75 0.00 0.00 64.21 62.83 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 -0.98 1.41 0.10 2.46 -0.00 -0.47 -3.30 117.51 116.72 2asy h ILE 30 Ca -0.08 -1.64 -0.32 0.00 -0.00 0.00 0.00 64.86 62.82 2asy h ILE 30 Cb 1.06 2.23 -0.02 0.00 -0.00 0.00 0.00 36.82 40.09 2asy h ILE 30 CO -0.05 0.47 -1.67 -1.13 -0.00 0.00 0.00 178.15 175.77 2asy h ASN 31 N -0.12 0.34 -0.61 2.16 -0.73 -1.48 -3.48 115.58 111.66 2asy h ASN 31 Ca -0.01 -0.56 -0.26 0.00 1.87 0.00 0.00 56.30 57.34 2asy h ASN 31 Cb 0.91 -0.11 -0.10 0.00 0.27 0.00 0.00 38.32 39.29 2asy h ASN 31 CO 0.06 1.48 -0.24 1.67 -0.37 0.00 0.00 177.43 180.03 2asy n GLN 32 N -3.40 -0.88 -4.80 6.67 -0.06 0.29 -4.35 117.38 110.85 2asy n GLN 32 Ca -0.20 0.95 -0.26 0.00 -2.00 0.00 0.00 57.00 55.49 2asy n GLN 32 Cb 1.05 -4.98 -0.16 0.00 -4.06 0.00 0.00 30.24 22.08 2asy n GLN 32 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 2asy s GLU 33 N -3.08 1.74 0.12 3.69 -6.30 -1.26 -4.98 118.70 108.63 2asy s GLU 33 Ca 0.00 -0.58 -0.20 0.00 -2.50 0.00 0.00 54.97 51.68 2asy s GLU 33 Cb 0.00 -1.51 -0.04 0.00 0.00 0.00 0.00 34.13 32.58 2asy s GLU 33 CO 0.00 0.23 1.71 -1.00 0.02 0.00 0.00 175.26 176.22 2asy h PRO 34 N 6.29 0.01 -4.04 4.30 0.13 -1.94 -3.42 132.00 133.33 2asy h PRO 34 Ca -0.32 -0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.69 2asy h PRO 34 Cb 1.17 -0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.39 2asy h PRO 34 CO 0.48 0.00 -0.38 0.41 -0.23 0.00 0.00 178.00 178.29 2asy n GLY 35 N -1.18 0.01 0.36 1.56 0.00 -1.26 -4.95 105.19 99.72 2asy n GLY 35 Ca -0.03 0.08 0.05 0.00 0.00 0.00 0.00 46.02 46.12 2asy n GLY 35 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2asy h PHE 36 N -0.50 1.01 0.00 1.61 -1.00 -1.93 -3.34 116.94 112.79 2asy h PHE 36 Ca -0.27 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.54 2asy h PHE 36 Cb 1.14 -0.33 0.00 0.00 3.61 0.00 0.00 35.95 40.37 2asy h PHE 36 CO 0.14 0.51 -0.87 1.28 -1.61 0.00 0.00 178.31 177.76 2asy n LEU 37 N -4.51 1.77 -3.82 1.54 7.99 -1.25 -5.00 117.00 113.72 2asy n LEU 37 Ca 0.14 0.34 -0.08 0.00 -0.01 0.00 0.00 56.01 56.40 2asy n LEU 37 Cb 0.24 -0.74 0.02 0.00 -0.11 0.00 0.00 43.42 42.83 2asy n LEU 37 CO 0.32 -0.31 0.53 -1.66 -1.51 0.00 0.00 177.39 174.76 2asy s TRP 38 N -2.68 0.08 0.12 -1.77 1.48 -1.21 -5.03 118.94 109.93 2asy s TRP 38 Ca -0.25 -0.72 0.01 0.00 -1.06 0.00 0.00 56.10 54.08 2asy s TRP 38 Cb 0.03 0.82 -0.00 0.00 -1.16 0.00 0.00 33.47 33.16 2asy s TRP 38 CO 0.37 -1.51 0.04 1.63 -4.06 0.00 0.00 176.95 173.42 2asy n LYS 39 N -0.53 0.96 -3.02 3.25 5.02 -1.26 -4.43 118.16 118.15 2asy n LYS 39 Ca -0.08 -1.02 -0.43 0.00 -2.02 0.00 0.00 58.31 54.76 2asy n LYS 39 Cb 0.60 0.51 -0.06 0.00 -0.02 0.00 0.00 35.03 36.06 2asy n LYS 39 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2asy s VAL 40 N -1.92 4.69 -0.91 -0.18 0.11 -1.26 -4.85 120.40 116.08 2asy s VAL 40 Ca 0.05 0.05 -0.00 0.00 -2.93 0.00 0.00 61.98 59.15 2asy s VAL 40 Cb 0.00 -4.35 0.29 0.00 -1.53 0.00 0.00 36.38 30.80 2asy s VAL 40 CO 0.04 -0.82 1.23 -2.67 -3.33 0.00 0.00 175.10 169.55 2asy n TRP 41 N 6.65 2.81 -3.74 1.54 4.27 -1.26 -4.96 117.44 122.75 2asy n TRP 41 Ca -0.01 -3.17 -0.12 0.00 -3.89 0.00 0.00 57.50 50.31 2asy n TRP 41 Cb 0.47 -0.98 -0.12 0.00 -1.36 0.00 0.00 31.31 29.32 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 -2.83 -0.02 -0.28 -1.67 2.01 -1.26 -4.98 115.64 106.60 2asy s THR 42 Ca 0.35 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.44 2asy s THR 42 Cb 0.10 -0.44 0.17 0.00 0.01 0.00 0.00 72.50 72.34 2asy s THR 42 CO 0.05 0.03 0.50 -0.70 -0.69 0.00 0.00 174.62 173.81 2asy s GLU 43 N 0.83 0.48 -0.75 4.92 2.12 -1.26 -2.06 118.70 122.98 2asy s GLU 43 Ca -0.05 0.55 -0.16 0.00 0.36 0.00 0.00 54.97 55.67 2asy s GLU 43 Cb -0.07 0.04 0.17 0.00 0.26 0.00 0.00 34.13 34.53 2asy s GLU 43 CO -0.06 -0.86 0.77 -1.12 -0.54 0.00 0.00 175.26 173.46 2asy s SER 44 N 2.71 6.53 0.45 -1.70 0.01 0.90 -4.86 113.70 117.74 2asy s SER 44 Ca 0.13 -2.19 0.23 0.00 1.31 0.00 0.00 55.95 55.44 2asy s SER 44 Cb -0.13 -2.26 1.03 0.00 0.21 0.00 0.00 66.02 64.87 2asy s SER 44 CO -0.24 -0.81 1.89 1.05 0.41 0.00 0.00 173.24 175.54 2asy h GLU 45 N 8.42 0.00 0.00 12.44 -0.00 -1.97 0.13 114.58 133.60 2asy h GLU 45 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.33 2asy h GLU 45 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.81 2asy h GLU 45 CO 0.93 0.23 -0.28 1.57 -0.00 0.00 0.00 179.01 181.46 2asy h LYS 46 N 0.00 0.00 0.00 1.06 -0.00 -1.92 -3.27 116.57 112.44 2asy h LYS 46 Ca -0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 60.65 60.37 2asy h LYS 46 Cb 0.64 0.00 -0.05 0.00 -0.00 0.00 0.00 32.23 32.82 2asy h LYS 46 CO 0.03 0.00 -2.23 -1.71 -0.00 0.00 0.00 179.45 175.54 2asy n ASN 47 N -2.60 0.33 -1.00 7.07 2.85 -0.91 -4.98 115.26 116.03 2asy n ASN 47 Ca 0.04 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.43 2asy n ASN 47 Cb 0.49 1.15 0.00 0.00 1.24 0.00 0.00 39.78 42.67 2asy n ASN 47 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 2asy n HIS 48 N -2.61 -0.50 -4.21 1.20 8.25 0.40 -5.00 115.22 112.75 2asy n HIS 48 Ca -0.26 0.09 -0.16 0.00 -0.26 0.00 0.00 57.72 57.13 2asy n HIS 48 Cb 1.00 -2.09 -0.13 0.00 1.12 0.00 0.00 29.99 29.89 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 -4.64 0.65 -0.04 -0.41 2.12 -0.95 -0.15 118.70 115.28 2asy s GLU 49 Ca 0.05 -0.57 -0.01 0.00 0.36 0.00 0.00 54.97 54.80 2asy s GLU 49 Cb -0.02 -0.57 0.03 0.00 0.26 0.00 0.00 34.13 33.83 2asy s GLU 49 CO 0.06 0.14 0.04 0.00 -0.54 0.00 0.00 175.26 174.96 2asy s ALA 50 N -0.78 0.28 0.00 6.30 0.00 0.16 -0.07 121.76 127.65 2asy s ALA 50 Ca -0.02 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.11 2asy s ALA 50 Cb -0.07 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.54 2asy s ALA 50 CO 0.00 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.83 2asy n GLY 51 N 4.87 3.63 0.00 0.00 0.00 -0.87 -1.19 105.19 111.62 2asy n GLY 51 Ca -0.12 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.82 4.52 2.91 -0.02 0.00 -0.15 -4.74 105.19 105.89 2asy n GLY 52 Ca 0.00 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 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 1.76 0.71 0.24 -0.61 -1.09 -1.26 -0.06 121.20 120.90 2asy s ILE 53 Ca 0.00 -0.19 -0.06 0.00 -2.23 0.00 0.00 60.65 58.17 2asy s ILE 53 Cb 0.00 -0.73 -0.02 0.00 -1.58 0.00 0.00 42.46 40.13 2asy s ILE 53 CO 0.00 0.28 0.31 -0.72 -1.23 0.00 0.00 174.94 173.58 2asy s TYR 54 N 1.13 0.84 -0.18 3.97 -0.85 0.24 -4.93 117.35 117.57 2asy s TYR 54 Ca -0.07 -1.11 -0.24 0.00 -0.52 0.00 0.00 57.07 55.13 2asy s TYR 54 Cb -0.14 -0.22 -0.02 0.00 0.38 0.00 0.00 41.96 41.97 2asy s TYR 54 CO -0.01 -0.84 0.77 -0.51 -1.52 0.00 0.00 175.55 173.44 2asy s LEU 55 N -3.12 4.16 0.00 -3.49 1.02 -1.25 -0.08 118.68 115.92 2asy s LEU 55 Ca 0.32 1.06 0.00 0.00 0.02 0.00 0.00 54.13 55.53 2asy s LEU 55 Cb 0.03 -3.13 -0.04 0.00 0.02 0.00 0.00 46.19 43.08 2asy s LEU 55 CO 0.12 -0.37 0.06 0.12 0.02 0.00 0.00 176.35 176.30 2asy s PHE 56 N 2.14 3.22 0.38 0.29 5.36 0.21 -3.30 117.98 126.27 2asy s PHE 56 Ca 0.35 0.16 0.12 0.00 -0.96 0.00 0.00 56.93 56.60 2asy s PHE 56 Cb -0.16 -1.71 0.65 0.00 -0.34 0.00 0.00 43.02 41.46 2asy s PHE 56 CO 0.11 0.52 1.28 0.00 -1.46 0.00 0.00 175.22 175.68 2asy h THR 57 N 3.28 0.00 -2.21 0.12 1.03 -1.93 -2.57 112.91 110.63 2asy h THR 57 Ca -0.49 0.00 0.29 0.00 -0.01 0.00 0.00 66.41 66.20 2asy h THR 57 Cb 1.18 0.27 -0.06 0.00 -1.07 0.00 0.00 68.15 68.47 2asy h THR 57 CO 0.61 0.00 0.80 -0.62 -0.01 0.00 0.00 175.52 176.30 2asy s ASP 58 N -3.40 -0.00 -0.17 0.00 -1.08 -1.26 -2.32 116.67 108.45 2asy s ASP 58 Ca -0.01 -0.34 0.05 0.00 -0.52 0.00 0.00 52.55 51.72 2asy s ASP 58 Cb 0.03 0.26 -0.14 0.00 -1.46 0.00 0.00 42.92 41.61 2asy s ASP 58 CO 0.11 -0.51 -0.09 -1.84 0.52 0.00 0.00 175.17 173.35 2asy n GLU 59 N -0.81 0.85 0.01 4.34 -0.00 -1.26 -3.69 120.64 120.08 2asy n GLU 59 Ca 0.01 0.07 -0.06 0.00 -0.00 0.00 0.00 57.16 57.17 2asy n GLU 59 Cb 0.59 -1.37 0.12 0.00 -0.00 0.00 0.00 31.44 30.78 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 0.51 0.00 3.44 2.10 -2.00 -2.94 116.57 117.67 2asy h LYS 60 Ca -0.41 -0.26 -0.08 0.00 -2.00 0.00 0.00 60.65 57.90 2asy h LYS 60 Cb 1.72 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.04 2asy h LYS 60 CO -0.04 0.83 -0.40 0.77 -2.00 0.00 0.00 179.45 178.62 2asy h SER 61 N 0.42 0.00 0.42 7.07 0.02 -1.97 -3.32 113.55 116.18 2asy h SER 61 Ca 0.04 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2asy h SER 61 Cb 0.89 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 2asy h SER 61 CO 0.08 0.40 -0.38 0.00 -1.14 0.00 0.00 176.83 175.78 2asy h ALA 62 N 1.60 -0.85 0.00 3.77 0.00 -1.59 0.10 119.26 122.29 2asy h ALA 62 Ca -0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2asy h ALA 62 Cb 1.28 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 2asy h ALA 62 CO 0.05 -1.01 -0.30 1.37 0.00 0.00 0.00 179.25 179.36 2asy h LEU 63 N -0.81 0.00 -0.66 0.00 -0.00 -1.69 -2.38 115.31 109.78 2asy h LEU 63 Ca -0.04 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.70 2asy h LEU 63 Cb 0.71 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.36 2asy h LEU 63 CO -0.04 0.30 -0.60 0.00 -0.00 0.00 0.00 178.44 178.09 2asy h ALA 64 N 1.70 0.85 0.00 0.17 0.00 -1.55 -3.03 119.26 117.40 2asy h ALA 64 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2asy h ALA 64 Cb 0.71 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2asy h ALA 64 CO 0.04 0.73 -0.10 0.66 0.00 0.00 0.00 179.25 180.57 2asy n TYR 65 N -3.87 0.54 -0.26 0.00 4.02 -0.02 -2.98 117.16 114.59 2asy n TYR 65 Ca -0.02 0.16 -0.03 0.00 -0.01 0.00 0.00 57.90 57.99 2asy n TYR 65 Cb 0.62 -0.73 0.13 0.00 -0.02 0.00 0.00 39.34 39.34 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 0.00 1.01 -1.25 7.72 8.10 -1.35 -1.63 115.31 127.91 2asy h LEU 66 Ca 0.00 -0.12 -0.08 0.00 0.11 0.00 0.00 57.88 57.80 2asy h LEU 66 Cb 0.65 -0.26 -0.01 0.00 -0.44 0.00 0.00 40.66 40.60 2asy h LEU 66 CO 0.00 0.85 -0.37 -0.08 -4.11 0.00 0.00 178.44 174.73 2asy h GLU 67 N 1.10 0.00 -0.52 0.17 4.22 -1.66 0.26 114.58 118.14 2asy h GLU 67 Ca 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.67 2asy h GLU 67 Cb 0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2asy h GLU 67 CO -0.03 0.37 0.20 -0.22 -2.18 0.00 0.00 179.01 177.14 2asy h LYS 68 N 0.00 0.79 0.02 1.92 1.63 -1.31 0.14 116.57 119.76 2asy h LYS 68 Ca -0.00 -0.15 -0.15 0.00 -0.85 0.00 0.00 60.65 59.50 2asy h LYS 68 Cb 0.68 -0.12 0.01 0.00 -0.60 0.00 0.00 32.23 32.20 2asy h LYS 68 CO 0.05 0.70 -0.58 0.45 -3.45 0.00 0.00 179.45 176.62 2asy h HIS 69 N 0.71 0.55 -0.51 1.91 3.86 -1.00 -3.26 115.15 117.40 2asy h HIS 69 Ca 0.17 -0.31 0.07 0.00 -1.16 0.00 0.00 60.37 59.14 2asy h HIS 69 Cb 0.22 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.60 2asy h HIS 69 CO 0.01 1.15 0.34 0.00 0.86 0.00 0.00 177.93 180.29 2asy h THR 70 N -0.21 0.96 -0.37 2.45 1.03 -0.33 -1.15 112.91 115.30 2asy h THR 70 Ca -0.08 -0.15 0.11 0.00 -0.01 0.00 0.00 66.41 66.28 2asy h THR 70 Cb 1.32 0.49 -0.01 0.00 -1.07 0.00 0.00 68.15 68.88 2asy h THR 70 CO 0.11 0.08 0.40 0.00 -0.01 0.00 0.00 175.52 176.10 2asy h ALA 71 N 1.72 2.07 0.00 0.00 0.00 -0.76 0.75 119.26 123.05 2asy h ALA 71 Ca 0.23 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 2asy h ALA 71 Cb 0.34 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2asy h ALA 71 CO -0.06 -0.59 -0.78 0.00 0.00 0.00 0.00 179.25 177.82 2asy h ARG 72 N 0.00 0.00 0.00 0.00 -0.00 -1.39 -3.33 114.38 109.66 2asy h ARG 72 Ca 0.18 0.00 -0.10 0.00 -0.50 0.00 0.00 59.98 59.55 2asy h ARG 72 Cb 0.97 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.93 2asy h ARG 72 CO -0.00 0.91 -0.48 1.37 0.00 0.00 0.00 179.97 181.76 2asy h LEU 73 N -1.00 0.00 -1.44 3.04 8.10 -1.17 0.10 115.31 122.94 2asy h LEU 73 Ca -0.21 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.73 2asy h LEU 73 Cb 1.12 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.33 2asy h LEU 73 CO -0.13 0.48 -0.21 0.07 -4.11 0.00 0.00 178.44 174.54 2asy h LYS 74 N 0.00 0.09 0.00 0.17 2.10 0.29 0.31 116.57 119.54 2asy h LYS 74 Ca -0.00 -0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.59 2asy h LYS 74 Cb 1.21 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2asy h LYS 74 CO 0.06 0.31 -0.36 -0.91 -2.00 0.00 0.00 179.45 176.55 2asy h ASN 75 N 0.09 0.00 0.00 7.07 2.35 -1.56 -3.43 115.58 120.10 2asy h ASN 75 Ca 0.02 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2asy h ASN 75 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 2asy h ASN 75 CO 0.03 0.79 -0.42 0.00 -1.65 0.00 0.00 177.43 176.18 2asy n LEU 76 N -4.65 0.37 0.00 1.61 -0.00 0.31 -4.98 117.00 109.66 2asy n LEU 76 Ca -0.08 -0.48 0.00 0.00 -0.00 0.00 0.00 56.01 55.45 2asy n LEU 76 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.67 2asy n LEU 76 CO 0.11 0.09 0.00 0.61 -0.00 0.00 0.00 177.39 178.20 2asy n GLY 77 N 1.22 0.64 0.00 1.47 0.00 0.10 -4.94 105.19 103.68 2asy n GLY 77 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.64 -4.73 118.33 117.71 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 -0.13 0.00 0.00 -1.06 0.00 0.00 33.84 32.65 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 -0.93 0.00 -3.56 1.45 1.02 -1.26 -4.90 120.64 112.46 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 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 2asy n GLU 79 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2asy s GLU 80 N 0.00 1.20 -0.08 3.49 2.56 -1.26 -4.44 118.70 120.17 2asy s GLU 80 Ca 0.00 -0.52 -0.20 0.00 0.00 0.00 0.00 54.97 54.25 2asy s GLU 80 Cb 0.00 0.50 -0.04 0.00 2.00 0.00 0.00 34.13 36.59 2asy s GLU 80 CO 0.00 -0.53 0.57 0.08 -0.56 0.00 0.00 175.26 174.82 2asy s VAL 81 N -3.51 5.09 -0.35 3.70 1.01 -1.26 -4.52 120.40 120.56 2asy s VAL 81 Ca 0.05 1.16 -0.14 0.00 0.00 0.00 0.00 61.98 63.05 2asy s VAL 81 Cb -0.02 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 2asy s VAL 81 CO -0.07 0.32 0.32 -0.69 0.00 0.00 0.00 175.10 174.98 2asy s VAL 82 N 0.52 5.21 -0.02 2.92 1.01 0.11 -4.91 120.40 125.24 2asy s VAL 82 Ca 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 2asy s VAL 82 Cb -0.16 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.43 2asy s VAL 82 CO 0.14 -0.10 0.05 0.00 0.00 0.00 0.00 175.10 175.19 2asy s ALA 83 N 1.90 -0.06 0.07 5.51 0.00 -1.25 -1.34 121.76 126.60 2asy s ALA 83 Ca 0.09 0.24 -0.07 0.00 0.00 0.00 0.00 51.96 52.22 2asy s ALA 83 Cb -0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 2asy s ALA 83 CO 0.11 -0.06 0.14 0.15 0.00 0.00 0.00 175.76 176.10 2asy s LYS 84 N 0.50 0.76 -0.14 0.00 3.01 -1.01 -4.89 119.74 117.98 2asy s LYS 84 Ca -0.04 -0.96 -0.02 0.00 -1.01 0.00 0.00 55.97 53.94 2asy s LYS 84 Cb -0.06 0.30 -0.02 0.00 -1.01 0.00 0.00 37.83 37.04 2asy s LYS 84 CO -0.02 -0.22 -0.08 0.08 0.51 0.00 0.00 175.35 175.63 2asy s VAL 85 N -3.63 3.53 0.32 3.17 1.01 -1.26 -0.37 120.40 123.17 2asy s VAL 85 Ca 0.03 -0.49 0.09 0.00 0.00 0.00 0.00 61.98 61.61 2asy s VAL 85 Cb 0.04 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 2asy s VAL 85 CO -0.10 0.51 0.03 0.72 0.00 0.00 0.00 175.10 176.27 2asy s PHE 86 N 0.27 2.62 -0.10 5.22 -0.12 -1.24 -5.02 117.98 119.60 2asy s PHE 86 Ca -0.06 -0.36 0.04 0.00 -0.05 0.00 0.00 56.93 56.50 2asy s PHE 86 Cb -0.15 -1.42 -0.00 0.00 -0.63 0.00 0.00 43.02 40.82 2asy s PHE 86 CO 0.04 0.49 -0.22 0.34 -0.05 0.00 0.00 175.22 175.82 2asy s ASP 87 N -3.73 3.26 0.25 1.98 2.15 -1.26 -4.83 116.67 114.49 2asy s ASP 87 Ca 0.34 -0.51 -0.01 0.00 0.43 0.00 0.00 52.55 52.81 2asy s ASP 87 Cb -0.03 -1.33 -0.04 0.00 -0.30 0.00 0.00 42.92 41.22 2asy s ASP 87 CO 0.20 0.18 0.45 0.68 -0.17 0.00 0.00 175.17 176.51 2asy s VAL 88 N 0.23 5.16 -0.17 1.11 -7.23 -1.26 -5.09 120.40 113.15 2asy s VAL 88 Ca -0.14 -0.38 0.01 0.00 -1.81 0.00 0.00 61.98 59.66 2asy s VAL 88 Cb -0.17 -3.77 0.01 0.00 0.56 0.00 0.00 36.38 33.01 2asy s VAL 88 CO 0.07 -0.30 -0.19 0.20 -0.31 0.00 0.00 175.10 174.58 2asy s ASN 89 N -3.44 3.27 0.20 4.85 -0.87 -1.26 -5.03 114.94 112.66 2asy s ASN 89 Ca 0.39 -0.59 -0.08 0.00 -1.57 0.00 0.00 52.86 51.01 2asy s ASN 89 Cb -0.10 -1.50 0.13 0.00 -0.02 0.00 0.00 41.25 39.76 2asy s ASN 89 CO 0.31 0.04 1.68 -0.33 -2.57 0.00 0.00 177.10 176.22 2asy h GLU 90 N 7.65 1.05 -1.00 -0.60 5.08 -2.01 -3.25 114.58 121.51 2asy h GLU 90 Ca -0.39 -0.31 0.22 0.00 -1.00 0.00 0.00 59.36 57.88 2asy h GLU 90 Cb 1.17 -0.11 -0.10 0.00 0.50 0.00 0.00 28.75 30.21 2asy h GLU 90 CO 0.60 1.00 0.62 -1.00 -1.00 0.00 0.00 179.01 179.23 2asy h PRO 91 N 0.97 0.56 -0.02 2.33 0.13 -2.05 -0.47 132.00 133.45 2asy h PRO 91 Ca 0.18 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2asy h PRO 91 Cb 0.50 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.51 2asy h PRO 91 CO 0.02 0.37 -0.05 1.28 -0.23 0.00 0.00 178.00 179.39 2asy n LEU 92 N -4.70 1.74 0.16 1.56 7.99 -1.23 -3.74 117.00 118.79 2asy n LEU 92 Ca 0.24 -0.57 0.13 0.00 -0.01 0.00 0.00 56.01 55.79 2asy n LEU 92 Cb 0.70 -0.01 0.56 0.00 -0.11 0.00 0.00 43.42 44.56 2asy n LEU 92 CO 0.23 0.29 0.87 0.28 -1.51 0.00 0.00 177.39 177.56 2asy h SER 93 N 2.66 0.00 0.85 -1.43 0.02 -1.15 -1.29 113.55 113.21 2asy h SER 93 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2asy h SER 93 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2asy h SER 93 CO 0.00 0.00 0.00 1.56 -1.14 0.00 0.00 176.83 177.25 2asy h GLN 94 N 0.00 0.00 -0.02 3.45 4.20 -1.72 -0.63 115.11 120.39 2asy h GLN 94 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2asy h GLN 94 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2asy h GLN 94 CO 0.00 0.00 -0.14 -0.89 -0.67 0.00 0.00 178.83 177.13 2asy n ILE 95 N -2.89 0.00 0.36 2.54 -0.00 -0.49 -4.25 119.36 114.62 2asy n ILE 95 Ca 0.01 -0.43 0.11 0.00 -0.00 0.00 0.00 62.75 62.44 2asy n ILE 95 Cb 0.26 1.35 -0.06 0.00 -0.00 0.00 0.00 39.64 41.19 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 0.70 0.49 0.06 4.38 5.15 -0.28 -4.33 115.26 121.43 2asy n ASN 96 Ca 0.10 -0.16 0.06 0.00 -0.60 0.00 0.00 54.58 53.98 2asy n ASN 96 Cb 0.47 1.18 0.27 0.00 -0.53 0.00 0.00 39.78 41.17 2asy n ASN 96 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2asy n GLN 97 N -2.11 0.06 0.27 1.20 10.64 -0.99 -2.85 117.38 123.61 2asy n GLN 97 Ca -0.00 0.49 -0.11 0.00 -1.83 0.00 0.00 57.00 55.55 2asy n GLN 97 Cb 0.48 -1.67 -0.05 0.00 -0.86 0.00 0.00 30.24 28.14 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 2.11 -0.96 0.00 2.61 0.00 -1.82 -2.82 119.26 118.37 2asy h ALA 98 Ca 0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 2asy h ALA 98 Cb 0.08 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2asy h ALA 98 CO 0.00 -0.91 -1.16 0.87 0.00 0.00 0.00 179.25 178.05 2asy h LYS 99 N -0.88 0.00 -0.05 0.00 1.79 -1.91 -3.30 116.57 112.22 2asy h LYS 99 Ca -0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 2asy h LYS 99 Cb 0.55 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2asy h LYS 99 CO 0.12 0.29 0.00 1.28 -1.08 0.00 0.00 179.45 180.06 2asy n LEU 100 N -2.93 0.63 0.00 2.94 7.99 -1.13 -5.22 117.00 119.28 2asy n LEU 100 Ca -0.06 -0.25 0.00 0.00 -0.01 0.00 0.00 56.01 55.69 2asy n LEU 100 Cb 0.78 -0.03 0.00 0.00 -0.11 0.00 0.00 43.42 44.06 2asy n LEU 100 CO 0.42 0.13 0.00 0.00 -1.51 0.00 0.00 177.39 176.43