#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 -1.99 -2.41 -5.12 0.00 -1.25 -4.98 120.51 104.77 2asy n ALA 2 Ca 0.00 -0.05 -0.41 0.00 0.00 0.00 0.00 53.44 52.97 2asy n ALA 2 Cb 0.00 -2.47 -0.04 0.00 0.00 0.00 0.00 19.45 16.94 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 -3.35 4.59 -0.23 0.00 2.01 -0.59 -4.87 115.64 113.21 2asy s THR 3 Ca 0.01 2.04 -0.15 0.00 0.31 0.00 0.00 61.69 63.90 2asy s THR 3 Cb -0.00 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 2asy s THR 3 CO 0.71 0.26 0.38 -0.22 -0.69 0.00 0.00 174.62 175.06 2asy s LEU 4 N 0.34 4.11 0.09 4.42 2.96 -1.26 0.21 118.68 129.54 2asy s LEU 4 Ca 0.49 0.41 0.05 0.00 -0.22 0.00 0.00 54.13 54.86 2asy s LEU 4 Cb -0.23 -2.46 -0.03 0.00 0.50 0.00 0.00 46.19 43.97 2asy s LEU 4 CO 0.29 -0.11 -0.13 -0.22 -1.32 0.00 0.00 176.35 174.87 2asy s LEU 5 N 1.57 2.34 -0.23 -0.68 0.20 1.00 -4.10 118.68 118.77 2asy s LEU 5 Ca 0.17 -0.70 -0.15 0.00 0.69 0.00 0.00 54.13 54.13 2asy s LEU 5 Cb -0.15 -0.46 -0.04 0.00 -0.43 0.00 0.00 46.19 45.12 2asy s LEU 5 CO 0.08 -0.14 0.37 -1.10 -0.29 0.00 0.00 176.35 175.27 2asy s GLN 6 N -2.20 4.11 -0.16 1.98 -0.21 0.85 -0.58 119.66 123.46 2asy s GLN 6 Ca 0.02 0.11 -0.04 0.00 0.02 0.00 0.00 55.36 55.47 2asy s GLN 6 Cb -0.07 -3.58 0.07 0.00 1.00 0.00 0.00 33.01 30.43 2asy s GLN 6 CO 0.02 -0.12 0.20 -1.17 -2.12 0.00 0.00 175.29 172.10 2asy s LEU 7 N 1.57 -0.10 -0.03 2.90 0.20 0.42 -1.11 118.68 122.53 2asy s LEU 7 Ca 0.17 0.03 -0.22 0.00 0.69 0.00 0.00 54.13 54.80 2asy s LEU 7 Cb -0.15 0.36 0.04 0.00 -0.43 0.00 0.00 46.19 46.02 2asy s LEU 7 CO 0.08 -0.29 0.47 -1.38 -0.29 0.00 0.00 176.35 174.94 2asy s HIS 8 N 2.32 -0.39 0.27 5.38 -3.43 0.12 -1.55 115.29 118.02 2asy s HIS 8 Ca 0.05 0.64 0.02 0.00 -0.80 0.00 0.00 55.06 54.96 2asy s HIS 8 Cb -0.14 0.23 -0.04 0.00 -1.43 0.00 0.00 32.58 31.20 2asy s HIS 8 CO -0.10 -0.48 0.14 -0.59 -2.00 0.00 0.00 174.74 171.71 2asy s PHE 9 N -1.26 1.51 0.58 0.38 -0.71 -0.30 0.14 117.98 118.31 2asy s PHE 9 Ca -0.12 -1.33 -0.16 0.00 -1.04 0.00 0.00 56.93 54.28 2asy s PHE 9 Cb -0.03 -0.81 -0.04 0.00 -1.21 0.00 0.00 43.02 40.92 2asy s PHE 9 CO 0.07 -0.50 1.05 0.00 -1.34 0.00 0.00 175.22 174.50 2asy s ALA 10 N -3.74 2.79 0.74 1.99 0.00 -1.26 0.10 121.76 122.38 2asy s ALA 10 Ca 0.37 0.38 -0.11 0.00 0.00 0.00 0.00 51.96 52.60 2asy s ALA 10 Cb 0.06 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.99 2asy s ALA 10 CO 0.16 -0.70 1.09 0.12 0.00 0.00 0.00 175.76 176.43 2asy s PHE 11 N -2.44 3.13 -0.55 0.00 5.36 0.62 -3.68 117.98 120.43 2asy s PHE 11 Ca 0.63 1.10 0.00 0.00 -0.96 0.00 0.00 56.93 57.71 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 0.35 -1.40 0.00 -1.71 -1.46 0.00 0.00 175.22 171.00 2asy n ASN 12 N -3.17 -3.08 -0.06 6.13 5.15 -1.26 -4.85 115.26 114.12 2asy n ASN 12 Ca 0.07 0.07 -0.04 0.00 -0.60 0.00 0.00 54.58 54.08 2asy n ASN 12 Cb 0.57 -1.69 -0.01 0.00 -0.53 0.00 0.00 39.78 38.11 2asy n ASN 12 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2asy n GLY 13 N -1.71 -0.86 3.95 8.20 0.00 -1.24 -4.09 105.19 109.44 2asy n GLY 13 Ca -0.06 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.10 2.55 0.55 1.61 0.04 -1.26 -3.46 135.00 132.92 2asy s PRO 14 Ca -0.14 -0.49 0.30 0.00 0.04 0.00 0.00 61.00 60.72 2asy s PRO 14 Cb 0.02 -2.37 1.58 0.00 0.04 0.00 0.00 34.50 33.76 2asy s PRO 14 CO 0.20 -0.82 2.11 0.74 0.04 0.00 0.00 177.00 179.28 2asy h PHE 15 N -0.12 0.00 0.00 0.56 0.04 -1.97 -3.47 116.94 111.98 2asy h PHE 15 Ca -0.44 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.33 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 0.38 0.09 0.00 0.41 -0.60 0.00 0.00 178.31 178.59 2asy n GLY 16 N -0.70 3.24 0.27 -1.45 0.00 -1.26 -4.85 105.19 100.45 2asy n GLY 16 Ca -0.02 -0.55 0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.34 1.61 3.32 -1.97 -1.09 116.42 117.96 2asy h ASP 17 Ca 0.00 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.15 2asy h ASP 17 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2asy h ASP 17 CO 0.00 0.09 0.45 0.00 -1.72 0.00 0.00 179.24 178.06 2asy h ALA 18 N 1.91 1.98 0.00 3.45 0.00 -1.91 0.66 119.26 125.34 2asy h ALA 18 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2asy h ALA 18 Cb 0.34 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2asy h ALA 18 CO 0.01 -0.62 -0.81 -1.33 0.00 0.00 0.00 179.25 176.50 2asy n MET 19 N -3.51 0.43 -0.34 0.00 2.81 -0.44 -1.20 117.12 114.87 2asy n MET 19 Ca 0.06 0.17 0.12 0.00 -1.81 0.00 0.00 57.70 56.24 2asy n MET 19 Cb 0.60 -1.25 0.33 0.00 -0.71 0.00 0.00 33.22 32.19 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 1.71 0.00 3.04 0.00 -1.28 -2.82 119.26 118.91 2asy h ALA 20 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2asy h ALA 20 Cb 0.81 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2asy h ALA 20 CO 0.00 -0.04 -0.88 -1.91 0.00 0.00 0.00 179.25 176.42 2asy n GLU 21 N -4.69 0.00 0.00 0.00 2.13 0.67 -4.81 120.64 113.94 2asy n GLU 21 Ca 0.22 0.00 0.14 0.00 0.66 0.00 0.00 57.16 58.18 2asy n GLU 21 Cb 0.54 -0.59 0.56 0.00 0.27 0.00 0.00 31.44 32.22 2asy n GLU 21 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2asy n GLN 22 N -2.76 0.57 0.02 5.31 1.13 0.20 -3.21 117.38 118.64 2asy n GLN 22 Ca 0.00 -0.21 -0.19 0.00 -1.94 0.00 0.00 57.00 54.66 2asy n GLN 22 Cb 0.44 -1.50 -0.10 0.00 0.11 0.00 0.00 30.24 29.19 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 0.51 0.78 -0.31 1.08 7.12 -0.88 -2.70 115.31 120.91 2asy h LEU 23 Ca 0.00 -0.74 0.07 0.00 0.13 0.00 0.00 57.88 57.34 2asy h LEU 23 Cb 0.39 -0.24 -0.08 0.00 -0.53 0.00 0.00 40.66 40.20 2asy h LEU 23 CO 0.00 1.41 -0.33 0.50 -0.13 0.00 0.00 178.44 179.89 2asy h LYS 24 N 0.23 -0.30 0.00 1.25 3.64 -1.72 0.97 116.57 120.64 2asy h LYS 24 Ca -0.10 0.02 -0.27 0.00 -1.27 0.00 0.00 60.65 59.03 2asy h LYS 24 Cb 1.54 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 33.38 2asy h LYS 24 CO 0.17 -0.20 -1.85 -0.35 -2.27 0.00 0.00 179.45 174.95 2asy n PRO 25 N -5.41 0.65 0.00 1.90 -0.04 -1.26 -4.47 135.00 126.37 2asy n PRO 25 Ca -0.01 0.16 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 2asy n PRO 25 Cb 0.33 -1.70 0.07 0.00 -0.04 0.00 0.00 33.50 32.16 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 -2.88 2.62 -0.35 1.53 4.77 -1.02 -4.63 117.00 117.04 2asy n LEU 26 Ca -0.19 -0.93 0.01 0.00 -0.03 0.00 0.00 56.01 54.87 2asy n LEU 26 Cb 1.01 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 42.17 2asy n LEU 26 CO 0.44 0.45 0.57 0.00 -1.33 0.00 0.00 177.39 177.52 2asy n ALA 27 N 0.89 0.01 0.25 -1.18 0.00 0.33 0.28 120.51 121.09 2asy n ALA 27 Ca 0.12 0.96 0.15 0.00 0.00 0.00 0.00 53.44 54.67 2asy n ALA 27 Cb 0.53 -0.49 0.86 0.00 0.00 0.00 0.00 19.45 20.35 2asy n ALA 27 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2asy h GLU 28 N 0.00 0.00 0.00 0.00 4.11 -1.85 0.36 114.58 117.21 2asy h GLU 28 Ca 0.37 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.47 2asy h GLU 28 Cb 0.60 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 2asy h GLU 28 CO -0.93 0.00 -2.02 0.43 0.07 0.00 0.00 179.01 176.56 2asy n SER 29 N -3.89 1.94 -0.06 3.06 7.64 0.14 -3.94 113.62 118.51 2asy n SER 29 Ca -0.01 0.36 -0.13 0.00 1.01 0.00 0.00 58.87 60.10 2asy n SER 29 Cb 0.19 -0.82 -0.12 0.00 -1.01 0.00 0.00 64.21 62.45 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 -1.00 1.62 0.12 0.44 -0.00 -0.31 -3.35 117.51 115.03 2asy h ILE 30 Ca -0.50 -2.14 -0.30 0.00 -0.00 0.00 0.00 64.86 61.93 2asy h ILE 30 Cb 1.42 3.02 -0.01 0.00 -0.00 0.00 0.00 36.82 41.25 2asy h ILE 30 CO -0.30 0.53 -1.48 -1.13 -0.00 0.00 0.00 178.15 175.78 2asy h ASN 31 N -0.96 0.38 -1.60 2.16 -1.24 -1.39 -3.48 115.58 109.45 2asy h ASN 31 Ca -0.00 -0.50 -0.25 0.00 0.71 0.00 0.00 56.30 56.25 2asy h ASN 31 Cb 0.88 -0.12 -0.09 0.00 0.73 0.00 0.00 38.32 39.71 2asy h ASN 31 CO 0.00 1.42 -0.24 0.00 -1.29 0.00 0.00 177.43 177.32 2asy n GLN 32 N -3.45 -1.35 -2.27 6.67 10.64 0.11 -4.34 117.38 123.39 2asy n GLN 32 Ca -0.15 0.72 -0.26 0.00 -1.83 0.00 0.00 57.00 55.49 2asy n GLN 32 Cb 1.04 -4.98 0.05 0.00 -0.86 0.00 0.00 30.24 25.49 2asy n GLN 32 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.06 173.40 2asy s GLU 33 N -3.21 2.46 -0.06 2.61 4.04 -1.26 -4.98 118.70 118.29 2asy s GLU 33 Ca 0.00 -0.18 -0.00 0.00 0.04 0.00 0.00 54.97 54.83 2asy s GLU 33 Cb 0.00 -2.21 -0.00 0.00 0.02 0.00 0.00 34.13 31.94 2asy s GLU 33 CO 0.00 -1.04 -0.00 -1.35 -1.84 0.00 0.00 175.26 171.02 2asy h PRO 34 N -0.44 0.00 0.00 -4.83 0.11 -1.98 -3.46 132.00 121.40 2asy h PRO 34 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2asy h PRO 34 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2asy h PRO 34 CO 0.60 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.80 2asy n GLY 35 N 1.86 1.73 5.00 -0.55 0.00 -1.26 -4.83 105.19 107.13 2asy n GLY 35 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.80 117.46 118.96 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 -0.03 0.00 -0.01 0.00 0.00 39.48 39.44 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 -7.99 4.37 -0.00 -1.88 -3.50 115.31 106.31 2asy h LEU 37 Ca 0.00 -0.19 0.02 0.00 -0.00 0.00 0.00 57.88 57.72 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 0.70 0.33 -1.66 -0.00 0.00 0.00 178.44 177.82 2asy s TRP 38 N -1.87 0.09 0.36 1.13 1.48 -1.22 -5.02 118.94 113.88 2asy s TRP 38 Ca -0.08 -0.70 0.01 0.00 -1.06 0.00 0.00 56.10 54.27 2asy s TRP 38 Cb 0.00 0.81 -0.00 0.00 -1.16 0.00 0.00 33.47 33.12 2asy s TRP 38 CO 0.20 -1.42 0.04 1.63 -4.06 0.00 0.00 176.95 173.33 2asy n LYS 39 N -0.56 0.95 -3.17 3.25 5.02 -1.26 -4.47 118.16 117.92 2asy n LYS 39 Ca -0.07 -2.71 -0.40 0.00 -2.02 0.00 0.00 58.31 53.11 2asy n LYS 39 Cb 0.60 0.96 -0.07 0.00 -0.02 0.00 0.00 35.03 36.50 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 -2.48 5.04 -0.64 -0.18 0.11 -1.26 -4.86 120.40 116.13 2asy s VAL 40 Ca 0.05 1.04 0.05 0.00 -2.93 0.00 0.00 61.98 60.20 2asy s VAL 40 Cb 0.00 -3.89 0.27 0.00 -1.53 0.00 0.00 36.38 31.24 2asy s VAL 40 CO 0.04 0.10 0.83 -2.67 -3.33 0.00 0.00 175.10 170.07 2asy n TRP 41 N 5.29 3.71 -3.79 1.54 4.27 -1.26 -5.00 117.44 122.21 2asy n TRP 41 Ca -0.03 -4.06 -0.13 0.00 -3.89 0.00 0.00 57.50 49.40 2asy n TRP 41 Cb 0.50 -0.57 -0.14 0.00 -1.36 0.00 0.00 31.31 29.74 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 -3.01 -0.03 -0.28 -1.67 2.01 -1.26 -4.95 115.64 106.46 2asy s THR 42 Ca 0.42 0.11 -0.04 0.00 0.31 0.00 0.00 61.69 62.48 2asy s THR 42 Cb 0.18 -0.19 0.15 0.00 0.01 0.00 0.00 72.50 72.65 2asy s THR 42 CO -0.04 0.04 0.56 -0.70 -0.69 0.00 0.00 174.62 173.79 2asy s GLU 43 N 0.68 0.51 -0.36 4.92 2.12 -1.26 -2.52 118.70 122.79 2asy s GLU 43 Ca -0.05 1.06 -0.04 0.00 0.36 0.00 0.00 54.97 56.29 2asy s GLU 43 Cb -0.07 0.45 0.07 0.00 0.26 0.00 0.00 34.13 34.84 2asy s GLU 43 CO -0.03 -0.47 0.12 0.45 -0.54 0.00 0.00 175.26 174.79 2asy s SER 44 N 2.79 5.21 0.21 -1.70 0.15 -0.71 -4.95 113.70 114.70 2asy s SER 44 Ca 0.10 -1.49 0.04 0.00 0.70 0.00 0.00 55.95 55.30 2asy s SER 44 Cb -0.14 -1.82 0.14 0.00 -1.71 0.00 0.00 66.02 62.49 2asy s SER 44 CO -0.19 -0.40 1.48 1.05 1.20 0.00 0.00 173.24 176.39 2asy h GLU 45 N 8.13 0.20 0.00 5.44 -0.00 -1.98 -1.22 114.58 125.15 2asy h GLU 45 Ca -0.19 -0.17 -0.13 0.00 -0.00 0.00 0.00 59.36 58.86 2asy h GLU 45 Cb 1.07 0.04 -0.02 0.00 -0.00 0.00 0.00 28.75 29.83 2asy h GLU 45 CO 0.63 0.84 -0.64 1.57 -0.00 0.00 0.00 179.01 181.41 2asy h LYS 46 N 0.13 0.00 0.00 1.06 -0.00 -1.93 -3.00 116.57 112.83 2asy h LYS 46 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.62 2asy h LYS 46 Cb 1.28 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.51 2asy h LYS 46 CO 0.11 0.64 -0.34 -0.97 -0.00 0.00 0.00 179.45 178.89 2asy h ASN 47 N 0.00 0.00 -4.12 7.07 -1.24 -1.93 -3.47 115.58 111.89 2asy h ASN 47 Ca -0.01 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.68 2asy h ASN 47 Cb 1.42 0.00 0.07 0.00 0.73 0.00 0.00 38.32 40.54 2asy h ASN 47 CO 0.08 0.02 -0.51 1.41 -1.29 0.00 0.00 177.43 177.15 2asy n HIS 48 N -2.97 -1.85 -3.74 0.67 8.25 -0.49 -4.95 115.22 110.13 2asy n HIS 48 Ca 0.03 0.57 -0.13 0.00 -0.26 0.00 0.00 57.72 57.92 2asy n HIS 48 Cb 0.55 -3.96 -0.10 0.00 1.12 0.00 0.00 29.99 27.59 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 -5.69 0.49 -0.03 -0.41 2.12 -1.05 -0.28 118.70 113.86 2asy s GLU 49 Ca 0.33 0.46 0.00 0.00 0.36 0.00 0.00 54.97 56.12 2asy s GLU 49 Cb -0.15 0.23 0.03 0.00 0.26 0.00 0.00 34.13 34.51 2asy s GLU 49 CO 0.41 -0.07 0.02 0.00 -0.54 0.00 0.00 175.26 175.07 2asy s ALA 50 N 0.02 0.19 0.00 6.30 0.00 0.11 -1.74 121.76 126.64 2asy s ALA 50 Ca -0.02 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.19 2asy s ALA 50 Cb -0.03 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.79 2asy s ALA 50 CO 0.01 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.07 2asy n GLY 51 N 4.22 4.58 0.00 0.00 0.00 -1.05 -1.15 105.19 111.80 2asy n GLY 51 Ca -0.26 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.95 4.64 2.95 -0.02 0.00 -0.60 -4.64 105.19 105.58 2asy n GLY 52 Ca 0.00 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 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 3.78 0.89 0.26 -0.61 -1.09 -1.26 -0.44 121.20 122.73 2asy s ILE 53 Ca 0.00 -0.31 -0.04 0.00 -2.23 0.00 0.00 60.65 58.07 2asy s ILE 53 Cb 0.00 -0.86 -0.02 0.00 -1.58 0.00 0.00 42.46 40.00 2asy s ILE 53 CO 0.00 0.31 0.33 -0.72 -1.23 0.00 0.00 174.94 173.63 2asy s TYR 54 N 0.94 0.93 -0.11 3.97 1.13 0.26 -4.94 117.35 119.53 2asy s TYR 54 Ca -0.10 -1.17 -0.18 0.00 -1.41 0.00 0.00 57.07 54.20 2asy s TYR 54 Cb -0.15 -0.23 -0.04 0.00 -1.10 0.00 0.00 41.96 40.44 2asy s TYR 54 CO 0.01 -0.88 0.49 -0.51 -2.51 0.00 0.00 175.55 172.14 2asy s LEU 55 N -3.15 4.29 0.09 -3.49 1.02 -1.25 -0.00 118.68 116.18 2asy s LEU 55 Ca 0.32 0.85 0.08 0.00 0.02 0.00 0.00 54.13 55.40 2asy s LEU 55 Cb 0.02 -2.72 -0.04 0.00 0.02 0.00 0.00 46.19 43.48 2asy s LEU 55 CO 0.14 0.01 -0.18 0.12 0.02 0.00 0.00 176.35 176.46 2asy s PHE 56 N 0.56 2.56 0.66 0.29 5.36 0.13 -3.40 117.98 124.15 2asy s PHE 56 Ca 0.27 -0.25 0.16 0.00 -0.96 0.00 0.00 56.93 56.15 2asy s PHE 56 Cb -0.15 -1.39 0.88 0.00 -0.34 0.00 0.00 43.02 42.01 2asy s PHE 56 CO 0.11 0.34 1.49 0.00 -1.46 0.00 0.00 175.22 175.70 2asy h THR 57 N 3.68 0.01 -2.31 0.12 1.03 -1.66 -1.56 112.91 112.22 2asy h THR 57 Ca -0.49 0.00 0.27 0.00 -0.01 0.00 0.00 66.41 66.18 2asy h THR 57 Cb 1.16 0.35 -0.05 0.00 -1.07 0.00 0.00 68.15 68.54 2asy h THR 57 CO 0.47 0.00 0.78 -0.62 -0.01 0.00 0.00 175.52 176.14 2asy s ASP 58 N -3.78 0.01 -0.23 0.00 -1.08 -1.26 -3.35 116.67 106.98 2asy s ASP 58 Ca -0.02 -0.40 -0.04 0.00 -0.52 0.00 0.00 52.55 51.57 2asy s ASP 58 Cb 0.05 0.29 -0.13 0.00 -1.46 0.00 0.00 42.92 41.67 2asy s ASP 58 CO 0.16 -0.57 -0.25 -0.62 0.52 0.00 0.00 175.17 174.41 2asy n GLU 59 N -0.83 0.53 0.09 4.34 1.02 -1.26 -3.47 120.64 121.06 2asy n GLU 59 Ca 0.01 0.17 -0.00 0.00 -0.02 0.00 0.00 57.16 57.32 2asy n GLU 59 Cb 0.59 -1.40 0.29 0.00 -0.02 0.00 0.00 31.44 30.89 2asy n GLU 59 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 2asy h LYS 60 N -0.38 0.26 0.00 3.49 2.10 -2.00 -1.66 116.57 118.38 2asy h LYS 60 Ca -0.55 -0.09 -0.06 0.00 -2.00 0.00 0.00 60.65 57.95 2asy h LYS 60 Cb 1.66 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.96 2asy h LYS 60 CO -0.21 0.53 -0.38 0.77 -2.00 0.00 0.00 179.45 178.16 2asy h SER 61 N 0.23 0.00 0.72 7.07 0.02 -1.97 -3.29 113.55 116.34 2asy h SER 61 Ca 0.03 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 2asy h SER 61 Cb 0.63 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.17 2asy h SER 61 CO 0.05 0.26 -0.35 0.00 -1.14 0.00 0.00 176.83 175.65 2asy h ALA 62 N 1.74 -0.97 0.00 3.77 0.00 -1.33 0.89 119.26 123.35 2asy h ALA 62 Ca -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2asy h ALA 62 Cb 1.21 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 2asy h ALA 62 CO 0.03 -1.01 -0.16 1.37 0.00 0.00 0.00 179.25 179.48 2asy h LEU 63 N -1.04 0.00 -0.23 0.00 -0.00 -1.69 -2.34 115.31 110.01 2asy h LEU 63 Ca -0.10 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.58 2asy h LEU 63 Cb 0.76 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.41 2asy h LEU 63 CO 0.16 0.16 -0.91 0.00 -0.00 0.00 0.00 178.44 177.85 2asy h ALA 64 N 1.84 0.48 -0.00 0.17 0.00 -1.56 -3.25 119.26 116.94 2asy h ALA 64 Ca -0.00 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2asy h ALA 64 Cb 0.60 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2asy h ALA 64 CO 0.02 0.95 -0.30 0.66 0.00 0.00 0.00 179.25 180.58 2asy n TYR 65 N -3.62 0.00 0.02 0.00 4.02 0.28 -3.59 117.16 114.27 2asy n TYR 65 Ca -0.04 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.94 2asy n TYR 65 Cb 0.83 -0.31 0.51 0.00 -0.02 0.00 0.00 39.34 40.35 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 0.11 0.31 -2.41 7.72 8.10 -1.52 -0.43 115.31 127.18 2asy h LEU 66 Ca 0.00 -0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 2asy h LEU 66 Cb 0.49 -0.07 -0.00 0.00 -0.44 0.00 0.00 40.66 40.64 2asy h LEU 66 CO 0.00 0.20 -0.03 -0.08 -4.11 0.00 0.00 178.44 174.42 2asy h GLU 67 N 0.35 0.00 -0.04 0.17 4.57 -1.78 0.38 114.58 118.23 2asy h GLU 67 Ca 0.18 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.33 2asy h GLU 67 Cb 0.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 2asy h GLU 67 CO -0.04 0.03 -0.08 0.87 -1.18 0.00 0.00 179.01 178.61 2asy h LYS 68 N 0.00 0.13 0.00 1.92 6.56 -1.30 0.14 116.57 124.02 2asy h LYS 68 Ca -0.00 -0.09 -0.00 0.00 -1.06 0.00 0.00 60.65 59.50 2asy h LYS 68 Cb 0.10 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.77 2asy h LYS 68 CO 0.00 0.67 -0.00 0.45 -2.06 0.00 0.00 179.45 178.51 2asy h HIS 69 N -0.38 -0.00 -0.94 -1.35 3.86 -1.31 -2.84 115.15 112.18 2asy h HIS 69 Ca 0.00 -0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.35 2asy h HIS 69 Cb 0.66 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.05 2asy h HIS 69 CO 0.12 0.35 0.60 1.15 0.86 0.00 0.00 177.93 181.00 2asy h THR 70 N -0.35 0.84 -0.02 2.45 2.02 -0.37 -2.09 112.91 115.40 2asy h THR 70 Ca -0.00 -0.27 0.01 0.00 0.77 0.00 0.00 66.41 66.92 2asy h THR 70 Cb 0.35 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2asy h THR 70 CO 0.00 0.14 0.18 0.00 0.37 0.00 0.00 175.52 176.22 2asy h ALA 71 N 1.59 1.24 0.00 6.16 0.00 -0.45 0.76 119.26 128.55 2asy h ALA 71 Ca 0.48 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.35 2asy h ALA 71 Cb 0.68 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2asy h ALA 71 CO -0.24 -0.19 -0.31 0.00 0.00 0.00 0.00 179.25 178.51 2asy h ARG 72 N 0.00 0.00 0.00 0.00 -0.00 -1.48 -3.34 114.38 109.56 2asy h ARG 72 Ca 0.01 0.00 -0.09 0.00 -0.50 0.00 0.00 59.98 59.40 2asy h ARG 72 Cb 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.33 2asy h ARG 72 CO -0.00 0.38 -0.43 1.37 0.00 0.00 0.00 179.97 181.29 2asy h LEU 73 N -1.00 0.00 -0.99 3.04 8.10 -1.15 0.26 115.31 123.57 2asy h LEU 73 Ca -0.05 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.85 2asy h LEU 73 Cb 0.54 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.75 2asy h LEU 73 CO -0.03 0.43 -0.41 0.07 -4.11 0.00 0.00 178.44 174.39 2asy h LYS 74 N 0.00 0.00 0.04 0.17 2.10 0.34 0.39 116.57 119.60 2asy h LYS 74 Ca -0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.53 2asy h LYS 74 Cb 1.16 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2asy h LYS 74 CO 0.06 0.41 -0.56 -0.97 -2.00 0.00 0.00 179.45 176.39 2asy h ASN 75 N 0.00 0.12 0.00 7.07 -1.24 -1.54 -3.42 115.58 116.57 2asy h ASN 75 Ca -0.00 -0.87 0.00 0.00 0.71 0.00 0.00 56.30 56.14 2asy h ASN 75 Cb 0.88 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.89 2asy h ASN 75 CO 0.05 1.24 -0.29 0.00 -1.29 0.00 0.00 177.43 177.14 2asy n LEU 76 N -4.42 0.00 0.00 0.34 -0.00 0.03 -5.02 117.00 107.93 2asy n LEU 76 Ca -0.17 -0.33 0.00 0.00 -0.00 0.00 0.00 56.01 55.51 2asy n LEU 76 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.05 2asy n LEU 76 CO 0.34 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.34 2asy n GLY 77 N 1.39 -0.01 0.00 1.47 0.00 0.11 -4.95 105.19 103.20 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 0.11 -4.68 118.33 118.50 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 -3.50 1.45 1.02 -1.26 -4.80 120.64 113.55 2asy n GLU 79 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 2asy n GLU 79 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 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 1.15 0.05 3.49 2.02 -1.26 -3.95 118.70 120.20 2asy s GLU 80 Ca 0.00 -0.28 -0.24 0.00 0.02 0.00 0.00 54.97 54.48 2asy s GLU 80 Cb 0.00 0.53 -0.06 0.00 0.10 0.00 0.00 34.13 34.70 2asy s GLU 80 CO 0.00 -0.45 0.72 0.54 0.02 0.00 0.00 175.26 176.09 2asy s VAL 81 N -2.87 4.72 -0.24 2.63 0.11 -1.26 -4.67 120.40 118.82 2asy s VAL 81 Ca -0.03 1.54 -0.18 0.00 -2.93 0.00 0.00 61.98 60.38 2asy s VAL 81 Cb -0.00 -4.07 -0.03 0.00 -1.53 0.00 0.00 36.38 30.75 2asy s VAL 81 CO -0.05 0.40 0.50 -0.69 -3.33 0.00 0.00 175.10 171.93 2asy s VAL 82 N -0.27 5.10 -0.03 2.04 1.01 0.12 -4.89 120.40 123.48 2asy s VAL 82 Ca 0.36 0.87 0.01 0.00 0.00 0.00 0.00 61.98 63.22 2asy s VAL 82 Cb -0.20 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.38 2asy s VAL 82 CO 0.22 0.13 -0.03 0.00 0.00 0.00 0.00 175.10 175.42 2asy s ALA 83 N 2.02 0.53 0.12 5.51 0.00 -1.25 -0.70 121.76 127.99 2asy s ALA 83 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2asy s ALA 83 Cb -0.15 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 2asy s ALA 83 CO 0.09 -0.01 -0.00 0.15 0.00 0.00 0.00 175.76 175.99 2asy s LYS 84 N 0.80 0.90 -0.18 0.00 3.01 -0.27 -4.86 119.74 119.14 2asy s LYS 84 Ca -0.10 -1.40 0.01 0.00 -1.01 0.00 0.00 55.97 53.47 2asy s LYS 84 Cb -0.13 -0.00 0.03 0.00 -1.01 0.00 0.00 37.83 36.72 2asy s LYS 84 CO -0.00 -0.14 -0.17 0.08 0.51 0.00 0.00 175.35 175.62 2asy s VAL 85 N -3.82 1.92 0.35 3.17 1.01 -1.26 -0.10 120.40 121.66 2asy s VAL 85 Ca 0.18 -0.95 0.07 0.00 0.00 0.00 0.00 61.98 61.29 2asy s VAL 85 Cb 0.07 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 2asy s VAL 85 CO -0.01 0.43 0.35 0.72 0.00 0.00 0.00 175.10 176.58 2asy s PHE 86 N 1.33 2.92 0.08 5.22 -0.12 -1.26 -5.04 117.98 121.10 2asy s PHE 86 Ca 0.03 -0.31 0.07 0.00 -0.05 0.00 0.00 56.93 56.67 2asy s PHE 86 Cb -0.14 -1.90 -0.04 0.00 -0.63 0.00 0.00 43.02 40.31 2asy s PHE 86 CO -0.11 0.09 -0.14 -0.51 -0.05 0.00 0.00 175.22 174.49 2asy s ASP 87 N -4.06 4.11 0.28 1.98 1.01 -1.26 -4.91 116.67 113.81 2asy s ASP 87 Ca 0.43 -0.42 -0.24 0.00 0.71 0.00 0.00 52.55 53.04 2asy s ASP 87 Cb -0.06 -0.72 -0.09 0.00 1.01 0.00 0.00 42.92 43.06 2asy s ASP 87 CO 0.28 0.21 0.85 0.68 0.21 0.00 0.00 175.17 177.40 2asy s VAL 88 N -1.09 4.35 -0.28 -1.27 -7.23 -1.26 -5.04 120.40 108.59 2asy s VAL 88 Ca 0.18 1.62 -0.00 0.00 -1.81 0.00 0.00 61.98 61.97 2asy s VAL 88 Cb -0.11 -3.96 0.05 0.00 0.56 0.00 0.00 36.38 32.92 2asy s VAL 88 CO 0.10 0.19 -0.05 0.21 -0.31 0.00 0.00 175.10 175.23 2asy s ASN 89 N -1.61 4.64 0.13 4.85 3.84 -1.26 -5.02 114.94 120.51 2asy s ASN 89 Ca 0.47 -1.26 -0.10 0.00 0.21 0.00 0.00 52.86 52.18 2asy s ASN 89 Cb -0.18 -1.64 -0.06 0.00 -0.55 0.00 0.00 41.25 38.81 2asy s ASN 89 CO 0.23 -0.22 1.41 -0.33 -2.79 0.00 0.00 177.10 175.40 2asy h GLU 90 N 7.92 0.80 -0.96 0.43 5.08 -1.99 -3.13 114.58 122.72 2asy h GLU 90 Ca -0.22 -0.54 0.11 0.00 -1.00 0.00 0.00 59.36 57.71 2asy h GLU 90 Cb 1.06 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 30.31 2asy h GLU 90 CO 0.51 1.16 0.61 -1.00 -1.00 0.00 0.00 179.01 179.30 2asy h PRO 91 N 0.60 0.92 -0.01 2.33 0.13 -2.05 -0.57 132.00 133.37 2asy h PRO 91 Ca 0.00 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2asy h PRO 91 Cb 1.20 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2asy h PRO 91 CO 0.13 0.61 -0.07 1.28 -0.23 0.00 0.00 178.00 179.72 2asy n LEU 92 N -4.57 0.69 0.12 1.56 4.77 -1.23 -3.69 117.00 114.65 2asy n LEU 92 Ca 0.17 -0.16 0.12 0.00 -0.03 0.00 0.00 56.01 56.12 2asy n LEU 92 Cb 0.34 -0.09 0.48 0.00 -2.33 0.00 0.00 43.42 41.82 2asy n LEU 92 CO 0.29 0.12 0.86 -1.20 -1.33 0.00 0.00 177.39 176.13 2asy n SER 93 N -0.63 0.68 0.19 -1.43 7.64 -0.22 -1.85 113.62 118.00 2asy n SER 93 Ca 0.18 0.65 0.13 0.00 1.01 0.00 0.00 58.87 60.83 2asy n SER 93 Cb 0.27 -0.80 0.31 0.00 -1.01 0.00 0.00 64.21 62.98 2asy n SER 93 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2asy h GLN 94 N 0.00 0.00 -0.02 1.43 7.50 -1.70 -2.89 115.11 119.44 2asy h GLN 94 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2asy h GLN 94 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.95 2asy h GLN 94 CO 0.00 0.00 -0.19 -0.89 -1.50 0.00 0.00 178.83 176.25 2asy n ILE 95 N -2.82 0.00 1.06 2.54 -0.00 -0.77 -3.72 119.36 115.65 2asy n ILE 95 Ca 0.04 -0.28 0.12 0.00 -0.00 0.00 0.00 62.75 62.63 2asy n ILE 95 Cb 0.46 0.89 0.20 0.00 -0.00 0.00 0.00 39.64 41.19 2asy n ILE 95 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 2asy n ASN 96 N 0.16 0.80 -0.51 4.38 0.23 -1.09 -4.30 115.26 114.94 2asy n ASN 96 Ca 0.13 -0.60 0.00 0.00 -0.53 0.00 0.00 54.58 53.58 2asy n ASN 96 Cb 0.44 0.36 0.00 0.00 -2.08 0.00 0.00 39.78 38.50 2asy n ASN 96 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2asy n GLN 97 N -1.21 0.93 -0.03 -3.83 6.02 -1.24 -1.92 117.38 116.10 2asy n GLN 97 Ca 0.07 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 57.05 2asy n GLN 97 Cb 0.35 -1.46 -0.00 0.00 1.02 0.00 0.00 30.24 30.14 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 1.94 0.00 0.00 -1.58 0.00 -1.82 -3.34 119.26 114.45 2asy h ALA 98 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2asy h ALA 98 Cb 0.47 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2asy h ALA 98 CO 0.00 0.15 -0.71 1.17 0.00 0.00 0.00 179.25 179.86 2asy n LYS 99 N -3.33 0.20 -0.69 0.00 0.00 -1.21 -3.70 118.16 109.43 2asy n LYS 99 Ca -0.02 0.03 0.08 0.00 0.00 0.00 0.00 58.31 58.40 2asy n LYS 99 Cb 0.08 -1.60 0.36 0.00 0.00 0.00 0.00 35.03 33.87 2asy n LYS 99 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2asy n LEU 100 N -1.87 4.90 0.00 3.14 4.77 -0.81 -5.20 117.00 121.93 2asy n LEU 100 Ca 0.04 -2.48 0.00 0.00 -0.03 0.00 0.00 56.01 53.53 2asy n LEU 100 Cb 0.40 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 2asy n LEU 100 CO 0.37 0.71 0.00 0.00 -1.33 0.00 0.00 177.39 177.14