#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 -0.89 -1.80 -5.12 0.00 -1.25 -4.96 120.51 106.50 2asy n ALA 2 Ca 0.00 0.27 -0.41 0.00 0.00 0.00 0.00 53.44 53.30 2asy n ALA 2 Cb 0.00 -3.64 -0.03 0.00 0.00 0.00 0.00 19.45 15.78 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 -3.12 3.08 -0.22 0.00 2.01 -0.60 -4.81 115.64 111.97 2asy s THR 3 Ca 0.29 1.05 -0.09 0.00 0.31 0.00 0.00 61.69 63.25 2asy s THR 3 Cb -0.13 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 2asy s THR 3 CO 0.35 0.24 0.12 -0.22 -0.69 0.00 0.00 174.62 174.42 2asy s LEU 4 N -1.44 3.96 0.05 4.42 2.96 -1.26 0.45 118.68 127.83 2asy s LEU 4 Ca 0.48 0.08 0.04 0.00 -0.22 0.00 0.00 54.13 54.51 2asy s LEU 4 Cb -0.36 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 2asy s LEU 4 CO 0.46 0.10 -0.11 -0.22 -1.32 0.00 0.00 176.35 175.27 2asy s LEU 5 N 0.81 2.26 -0.08 -0.68 0.20 0.11 -4.21 118.68 117.08 2asy s LEU 5 Ca 0.06 -0.57 -0.26 0.00 0.69 0.00 0.00 54.13 54.06 2asy s LEU 5 Cb -0.13 -0.34 -0.03 0.00 -0.43 0.00 0.00 46.19 45.26 2asy s LEU 5 CO 0.02 -0.13 0.82 -1.10 -0.29 0.00 0.00 176.35 175.67 2asy s GLN 6 N -1.60 4.43 -0.27 1.98 -0.21 0.68 -0.04 119.66 124.63 2asy s GLN 6 Ca -0.06 1.07 -0.00 0.00 0.02 0.00 0.00 55.36 56.39 2asy s GLN 6 Cb -0.10 -3.49 0.15 0.00 1.00 0.00 0.00 33.01 30.58 2asy s GLN 6 CO 0.01 -0.08 0.43 -1.17 -2.12 0.00 0.00 175.29 172.37 2asy s LEU 7 N 1.23 -0.85 0.18 2.90 1.98 0.60 -2.16 118.68 122.57 2asy s LEU 7 Ca 0.42 0.12 -0.18 0.00 -2.89 0.00 0.00 54.13 51.59 2asy s LEU 7 Cb -0.18 1.32 0.04 0.00 0.66 0.00 0.00 46.19 48.02 2asy s LEU 7 CO 0.19 -0.31 0.53 -1.38 -1.89 0.00 0.00 176.35 173.49 2asy s HIS 8 N 2.61 -0.21 0.23 5.38 -3.43 -0.79 -0.79 115.29 118.29 2asy s HIS 8 Ca 0.13 -0.11 -0.18 0.00 -0.80 0.00 0.00 55.06 54.10 2asy s HIS 8 Cb -0.14 0.42 0.02 0.00 -1.43 0.00 0.00 32.58 31.45 2asy s HIS 8 CO -0.22 -0.89 0.58 -0.59 -2.00 0.00 0.00 174.74 171.62 2asy s PHE 9 N -3.84 -0.05 0.63 0.38 -0.12 -0.87 0.09 117.98 114.19 2asy s PHE 9 Ca 0.07 -0.33 -0.17 0.00 -0.05 0.00 0.00 56.93 56.45 2asy s PHE 9 Cb -0.01 0.45 -0.02 0.00 -0.63 0.00 0.00 43.02 42.82 2asy s PHE 9 CO -0.05 -1.03 1.16 0.00 -0.05 0.00 0.00 175.22 175.24 2asy s ALA 10 N -3.91 2.47 0.75 1.99 0.00 -1.26 0.06 121.76 121.86 2asy s ALA 10 Ca 0.12 0.79 -0.11 0.00 0.00 0.00 0.00 51.96 52.76 2asy s ALA 10 Cb -0.02 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.74 2asy s ALA 10 CO 0.02 -1.24 1.09 0.12 0.00 0.00 0.00 175.76 175.76 2asy s PHE 11 N -1.95 3.08 -1.04 0.00 5.36 0.10 -3.65 117.98 119.88 2asy s PHE 11 Ca 0.72 1.13 -0.03 0.00 -0.96 0.00 0.00 56.93 57.79 2asy s PHE 11 Cb -0.25 -3.07 0.00 0.00 -0.34 0.00 0.00 43.02 39.36 2asy s PHE 11 CO 0.37 -1.46 0.37 -1.71 -1.46 0.00 0.00 175.22 171.32 2asy n ASN 12 N -3.21 -4.54 -0.12 6.13 5.15 -1.26 -4.82 115.26 112.58 2asy n ASN 12 Ca 0.07 -0.17 -0.21 0.00 -0.60 0.00 0.00 54.58 53.66 2asy n ASN 12 Cb 0.56 -3.44 -0.08 0.00 -0.53 0.00 0.00 39.78 36.30 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 -1.24 -0.56 3.24 8.20 0.00 -1.24 -3.95 105.19 109.64 2asy n GLY 13 Ca -0.08 -0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.36 0.02 0.12 1.61 -0.04 -1.26 -3.43 135.00 127.66 2asy n PRO 14 Ca -0.37 -2.28 -0.02 0.00 -0.04 0.00 0.00 63.50 60.79 2asy n PRO 14 Cb 0.72 -0.55 0.19 0.00 -0.04 0.00 0.00 33.50 33.82 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 -0.55 0.13 0.00 0.54 0.04 -1.98 -3.48 116.94 111.63 2asy h PHE 15 Ca -0.27 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.45 2asy h PHE 15 Cb 1.02 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.14 2asy h PHE 15 CO 0.00 0.63 0.00 0.41 -0.60 0.00 0.00 178.31 178.75 2asy n GLY 16 N 0.07 1.54 0.28 -1.45 0.00 -1.26 -4.82 105.19 99.56 2asy n GLY 16 Ca -0.02 -0.21 0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.42 1.61 5.19 -1.98 -1.14 116.42 119.68 2asy h ASP 17 Ca 0.00 0.00 0.12 0.00 -0.62 0.00 0.00 57.03 56.53 2asy h ASP 17 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 2asy h ASP 17 CO 0.00 0.05 0.51 0.00 -3.12 0.00 0.00 179.24 176.68 2asy h ALA 18 N 1.95 2.11 0.00 3.45 0.00 -1.91 0.36 119.26 125.23 2asy h ALA 18 Ca -0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2asy h ALA 18 Cb 0.14 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2asy h ALA 18 CO 0.01 -0.72 -1.45 -1.33 0.00 0.00 0.00 179.25 175.76 2asy n MET 19 N -3.58 0.52 -0.10 0.00 2.81 -0.44 -0.96 117.12 115.37 2asy n MET 19 Ca 0.08 0.21 -0.07 0.00 -1.81 0.00 0.00 57.70 56.11 2asy n MET 19 Cb 0.68 -1.40 -0.01 0.00 -0.71 0.00 0.00 33.22 31.78 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 -0.94 -0.14 0.00 3.04 0.00 -1.36 -2.79 119.26 117.06 2asy h ALA 20 Ca -0.22 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2asy h ALA 20 Cb 1.15 0.64 -0.00 0.00 0.00 0.00 0.00 17.79 19.58 2asy h ALA 20 CO -0.13 -0.70 -1.11 0.39 0.00 0.00 0.00 179.25 177.70 2asy n GLU 21 N -5.41 2.66 0.00 0.00 -0.58 0.44 -4.71 120.64 113.04 2asy n GLU 21 Ca 0.01 -0.01 0.11 0.00 -0.42 0.00 0.00 57.16 56.86 2asy n GLU 21 Cb 0.32 -1.05 0.09 0.00 -0.57 0.00 0.00 31.44 30.24 2asy n GLU 21 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2asy n GLN 22 N -1.92 0.86 -0.02 3.49 1.13 0.99 -3.99 117.38 117.92 2asy n GLN 22 Ca -0.02 -0.66 -0.15 0.00 -1.94 0.00 0.00 57.00 54.23 2asy n GLN 22 Cb 0.41 -1.49 -0.10 0.00 0.11 0.00 0.00 30.24 29.17 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 1.60 0.38 -0.97 1.08 5.85 -0.76 -2.61 115.31 119.89 2asy h LEU 23 Ca 0.00 -0.70 0.13 0.00 0.84 0.00 0.00 57.88 58.15 2asy h LEU 23 Cb 0.64 -0.11 -0.14 0.00 0.37 0.00 0.00 40.66 41.41 2asy h LEU 23 CO 0.00 1.02 -0.44 1.17 -0.34 0.00 0.00 178.44 179.85 2asy n LYS 24 N -4.41 -0.29 0.04 1.25 4.81 -1.26 0.69 118.16 119.00 2asy n LYS 24 Ca -0.09 1.48 0.08 0.00 -0.87 0.00 0.00 58.31 58.91 2asy n LYS 24 Cb 0.53 -2.19 -0.08 0.00 0.02 0.00 0.00 35.03 33.31 2asy n LYS 24 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2asy n PRO 25 N -5.36 0.63 0.00 1.64 -0.04 -1.25 -4.54 135.00 126.08 2asy n PRO 25 Ca 0.07 0.03 0.05 0.00 -0.04 0.00 0.00 63.50 63.62 2asy n PRO 25 Cb 0.35 -1.71 0.03 0.00 -0.04 0.00 0.00 33.50 32.12 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 -2.58 1.64 -0.29 1.53 4.77 -0.90 -4.71 117.00 116.46 2asy n LEU 26 Ca -0.05 -0.91 0.10 0.00 -0.03 0.00 0.00 56.01 55.13 2asy n LEU 26 Cb 0.64 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.99 2asy n LEU 26 CO 0.43 0.32 1.00 0.00 -1.33 0.00 0.00 177.39 177.81 2asy h ALA 27 N 1.99 1.25 0.00 -1.18 0.00 0.12 0.63 119.26 122.07 2asy h ALA 27 Ca 0.00 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2asy h ALA 27 Cb 0.41 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2asy h ALA 27 CO 0.00 -0.33 -0.02 1.05 0.00 0.00 0.00 179.25 179.95 2asy h GLU 28 N 0.36 0.00 0.00 0.00 4.11 -1.83 0.30 114.58 117.53 2asy h GLU 28 Ca 0.50 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.76 2asy h GLU 28 Cb 0.91 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 2asy h GLU 28 CO -0.52 0.02 -1.40 0.43 0.07 0.00 0.00 179.01 177.61 2asy n SER 29 N -3.49 1.29 0.16 3.06 7.64 0.13 -3.90 113.62 118.51 2asy n SER 29 Ca -0.03 0.21 -0.13 0.00 1.01 0.00 0.00 58.87 59.94 2asy n SER 29 Cb 0.11 -0.51 -0.08 0.00 -1.01 0.00 0.00 64.21 62.73 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 -0.57 0.67 0.00 0.44 -0.00 -0.06 -3.18 117.51 114.80 2asy h ILE 30 Ca -0.25 -0.60 -0.00 0.00 -0.00 0.00 0.00 64.86 64.00 2asy h ILE 30 Cb 1.06 0.96 -0.00 0.00 -0.00 0.00 0.00 36.82 38.84 2asy h ILE 30 CO -0.15 0.11 -0.87 -1.13 -0.00 0.00 0.00 178.15 176.11 2asy h ASN 31 N -0.78 0.00 -0.81 2.16 -1.24 -1.69 -3.48 115.58 109.74 2asy h ASN 31 Ca -0.04 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.76 2asy h ASN 31 Cb 0.51 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.50 2asy h ASN 31 CO 0.07 0.01 -0.21 1.67 -1.29 0.00 0.00 177.43 177.67 2asy n GLN 32 N -2.74 -0.75 -3.38 6.67 -0.06 0.07 -4.21 117.38 112.98 2asy n GLN 32 Ca 0.00 0.74 -0.38 0.00 -2.00 0.00 0.00 57.00 55.36 2asy n GLN 32 Cb 0.55 -4.72 -0.06 0.00 -4.06 0.00 0.00 30.24 21.95 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 -3.42 4.17 -0.07 3.69 -1.05 -1.04 -4.88 118.70 116.10 2asy s GLU 33 Ca 0.00 0.47 -0.09 0.00 -0.15 0.00 0.00 54.97 55.20 2asy s GLU 33 Cb 0.00 -3.33 -0.05 0.00 -0.44 0.00 0.00 34.13 30.30 2asy s GLU 33 CO 0.00 0.41 0.34 -1.00 0.95 0.00 0.00 175.26 175.96 2asy h PRO 34 N 5.72 -0.23 0.00 -4.83 0.13 -1.90 -3.33 132.00 127.56 2asy h PRO 34 Ca -0.46 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2asy h PRO 34 Cb 1.20 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2asy h PRO 34 CO 0.69 -0.09 0.00 0.41 -0.23 0.00 0.00 178.00 178.78 2asy n GLY 35 N 1.14 1.68 5.00 1.56 0.00 -1.26 -4.80 105.19 108.51 2asy n GLY 35 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.01 1.61 3.01 -1.26 -1.20 117.46 119.61 2asy n PHE 36 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.46 2asy n PHE 36 Cb 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.47 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 -1.87 -3.49 115.31 114.32 2asy h LEU 37 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2asy h LEU 37 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.67 2asy h LEU 37 CO 0.00 0.09 0.26 -2.67 -0.00 0.00 0.00 178.44 176.13 2asy n TRP 38 N -2.51 -2.12 -4.20 1.13 4.27 -1.23 -5.05 117.44 107.74 2asy n TRP 38 Ca -0.00 -1.57 -0.15 0.00 -3.89 0.00 0.00 57.50 51.89 2asy n TRP 38 Cb 0.02 0.78 -0.11 0.00 -1.36 0.00 0.00 31.31 30.65 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 -2.07 0.91 -0.14 -2.67 2.47 -1.26 -4.42 119.74 112.55 2asy s LYS 39 Ca 0.14 -1.23 -0.20 0.00 -1.56 0.00 0.00 55.97 53.12 2asy s LYS 39 Cb -0.04 -0.60 -0.04 0.00 -1.46 0.00 0.00 37.83 35.70 2asy s LYS 39 CO 0.10 0.09 0.56 0.54 0.16 0.00 0.00 175.35 176.80 2asy s VAL 40 N -2.60 5.11 -1.17 4.02 0.11 -1.26 -4.99 120.40 119.62 2asy s VAL 40 Ca 0.08 1.10 -0.10 0.00 -2.93 0.00 0.00 61.98 60.12 2asy s VAL 40 Cb -0.02 -3.89 0.23 0.00 -1.53 0.00 0.00 36.38 31.17 2asy s VAL 40 CO 0.00 0.24 1.34 -2.67 -3.33 0.00 0.00 175.10 170.68 2asy n TRP 41 N 4.21 4.74 -3.88 1.54 4.27 -1.26 -4.87 117.44 122.19 2asy n TRP 41 Ca -0.04 -3.50 -0.13 0.00 -3.89 0.00 0.00 57.50 49.94 2asy n TRP 41 Cb 0.51 -1.88 -0.14 0.00 -1.36 0.00 0.00 31.31 28.43 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 -0.15 0.04 -0.30 -1.67 2.01 -1.26 -5.04 115.64 109.27 2asy s THR 42 Ca 0.36 0.02 -0.11 0.00 0.31 0.00 0.00 61.69 62.27 2asy s THR 42 Cb -0.04 -0.06 0.13 0.00 0.01 0.00 0.00 72.50 72.53 2asy s THR 42 CO -0.02 0.03 0.71 -0.70 -0.69 0.00 0.00 174.62 173.95 2asy s GLU 43 N 0.20 0.54 -0.24 4.92 2.12 -1.26 -2.96 118.70 122.01 2asy s GLU 43 Ca -0.02 1.32 -0.04 0.00 0.36 0.00 0.00 54.97 56.59 2asy s GLU 43 Cb -0.03 0.75 0.08 0.00 0.26 0.00 0.00 34.13 35.19 2asy s GLU 43 CO -0.01 -0.18 0.10 -1.12 -0.54 0.00 0.00 175.26 173.51 2asy s SER 44 N 2.72 3.16 0.25 -1.70 0.01 -0.50 -4.96 113.70 112.68 2asy s SER 44 Ca -0.06 -1.07 0.10 0.00 1.31 0.00 0.00 55.95 56.23 2asy s SER 44 Cb -0.10 -0.44 0.28 0.00 0.21 0.00 0.00 66.02 65.97 2asy s SER 44 CO -0.19 -0.39 1.57 1.05 0.41 0.00 0.00 173.24 175.69 2asy h GLU 45 N 8.34 0.02 0.01 12.44 9.09 -1.95 0.55 114.58 143.06 2asy h GLU 45 Ca -0.17 -0.01 -0.19 0.00 0.05 0.00 0.00 59.36 59.04 2asy h GLU 45 Cb 1.07 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.15 2asy h GLU 45 CO 0.38 0.67 -0.87 1.57 0.05 0.00 0.00 179.01 180.81 2asy h LYS 46 N 0.01 0.09 0.00 1.06 -0.00 -1.93 -2.87 116.57 112.93 2asy h LYS 46 Ca -0.01 -0.10 -0.08 0.00 -0.00 0.00 0.00 60.65 60.46 2asy h LYS 46 Cb 1.17 0.03 -0.01 0.00 -0.00 0.00 0.00 32.23 33.42 2asy h LYS 46 CO 0.09 0.90 -0.53 -0.97 -0.00 0.00 0.00 179.45 178.94 2asy h ASN 47 N 0.04 0.00 -1.69 7.07 -1.24 -1.95 -3.47 115.58 114.35 2asy h ASN 47 Ca -0.03 0.00 -0.20 0.00 0.71 0.00 0.00 56.30 56.78 2asy h ASN 47 Cb 1.52 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.57 2asy h ASN 47 CO 0.12 0.35 -0.27 1.41 -1.29 0.00 0.00 177.43 177.75 2asy n HIS 48 N -3.11 -0.60 -3.85 0.67 8.25 0.09 -4.98 115.22 111.69 2asy n HIS 48 Ca 0.01 0.06 -0.12 0.00 -0.26 0.00 0.00 57.72 57.41 2asy n HIS 48 Cb 0.68 -2.52 -0.10 0.00 1.12 0.00 0.00 29.99 29.17 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 -4.65 0.48 -0.07 -0.41 2.12 -0.61 0.03 118.70 115.58 2asy s GLU 49 Ca 0.03 -0.28 -0.03 0.00 0.36 0.00 0.00 54.97 55.05 2asy s GLU 49 Cb -0.02 0.20 0.04 0.00 0.26 0.00 0.00 34.13 34.62 2asy s GLU 49 CO 0.04 -0.11 0.14 0.00 -0.54 0.00 0.00 175.26 174.79 2asy s ALA 50 N -1.18 -0.08 0.00 6.30 0.00 0.11 -1.41 121.76 125.50 2asy s ALA 50 Ca -0.13 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.32 2asy s ALA 50 Cb -0.06 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.30 2asy s ALA 50 CO 0.02 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.66 2asy n GLY 51 N 5.27 0.80 0.00 0.00 0.00 -1.16 -2.04 105.19 108.07 2asy n GLY 51 Ca -0.05 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 0.00 -0.99 2.97 -0.02 0.00 0.03 -4.75 105.19 102.43 2asy n GLY 52 Ca 0.00 0.68 -0.13 0.00 0.00 0.00 0.00 46.02 46.57 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 2.10 -0.02 0.28 -0.61 1.01 -1.26 -0.29 121.20 122.41 2asy s ILE 53 Ca 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.59 2asy s ILE 53 Cb 0.00 -0.20 0.01 0.00 0.01 0.00 0.00 42.46 42.27 2asy s ILE 53 CO 0.00 0.03 0.55 -0.72 0.00 0.00 0.00 174.94 174.79 2asy s TYR 54 N 0.46 0.36 0.02 3.97 -0.85 0.94 -4.69 117.35 117.56 2asy s TYR 54 Ca -0.03 -0.75 -0.27 0.00 -0.52 0.00 0.00 57.07 55.50 2asy s TYR 54 Cb -0.05 0.30 -0.05 0.00 0.38 0.00 0.00 41.96 42.54 2asy s TYR 54 CO -0.02 -1.11 0.83 -0.51 -1.52 0.00 0.00 175.55 173.22 2asy s LEU 55 N -3.04 4.41 0.10 -3.49 1.02 -1.26 0.05 118.68 116.46 2asy s LEU 55 Ca 0.21 1.49 0.09 0.00 0.02 0.00 0.00 54.13 55.95 2asy s LEU 55 Cb -0.02 -3.33 -0.04 0.00 0.02 0.00 0.00 46.19 42.82 2asy s LEU 55 CO 0.11 -0.09 -0.23 0.12 0.02 0.00 0.00 176.35 176.28 2asy s PHE 56 N 0.40 2.42 0.52 0.29 5.36 0.17 -3.48 117.98 123.66 2asy s PHE 56 Ca 0.43 -0.33 0.42 0.00 -0.96 0.00 0.00 56.93 56.49 2asy s PHE 56 Cb -0.20 -1.34 1.62 0.00 -0.34 0.00 0.00 43.02 42.75 2asy s PHE 56 CO 0.24 0.30 1.62 0.00 -1.46 0.00 0.00 175.22 175.92 2asy h THR 57 N 3.85 0.09 -1.30 0.12 1.03 -1.44 -1.60 112.91 113.67 2asy h THR 57 Ca -0.49 -0.01 0.28 0.00 -0.01 0.00 0.00 66.41 66.18 2asy h THR 57 Cb 1.16 0.07 -0.20 0.00 -1.07 0.00 0.00 68.15 68.11 2asy h THR 57 CO 0.43 0.00 0.88 1.51 -0.01 0.00 0.00 175.52 178.33 2asy s ASP 58 N -4.25 -0.09 0.03 0.00 1.47 -1.26 -0.33 116.67 112.24 2asy s ASP 58 Ca -0.06 0.01 -0.17 0.00 1.18 0.00 0.00 52.55 53.51 2asy s ASP 58 Cb 0.27 0.09 -0.29 0.00 -0.34 0.00 0.00 42.92 42.65 2asy s ASP 58 CO 0.86 -0.15 1.06 1.05 0.68 0.00 0.00 175.17 178.67 2asy h GLU 59 N 2.01 0.53 -0.91 2.11 -0.00 -1.93 -2.74 114.58 113.66 2asy h GLU 59 Ca -0.06 -0.73 0.03 0.00 -0.00 0.00 0.00 59.36 58.59 2asy h GLU 59 Cb 1.15 0.25 -0.05 0.00 -0.00 0.00 0.00 28.75 30.10 2asy h GLU 59 CO 0.21 1.33 0.60 1.57 -0.00 0.00 0.00 179.01 182.72 2asy h LYS 60 N 0.10 1.14 0.03 1.06 2.10 -2.00 -1.22 116.57 117.77 2asy h LYS 60 Ca -0.17 -0.07 -0.22 0.00 -2.00 0.00 0.00 60.65 58.19 2asy h LYS 60 Cb 1.81 -0.26 -0.01 0.00 -0.90 0.00 0.00 32.23 32.87 2asy h LYS 60 CO 0.21 0.76 -0.97 0.77 -2.00 0.00 0.00 179.45 178.22 2asy h SER 61 N 1.18 0.31 0.04 7.07 0.02 -1.99 -3.36 113.55 116.82 2asy h SER 61 Ca 0.35 -0.27 0.03 0.00 -0.84 0.00 0.00 61.79 61.06 2asy h SER 61 Cb -0.04 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.36 2asy h SER 61 CO -0.10 1.11 -0.30 0.00 -1.14 0.00 0.00 176.83 176.40 2asy h ALA 62 N 0.86 -0.46 0.00 3.77 0.00 -0.89 0.44 119.26 122.98 2asy h ALA 62 Ca -0.06 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2asy h ALA 62 Cb 1.63 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 19.93 2asy h ALA 62 CO 0.15 -0.82 -0.43 1.37 0.00 0.00 0.00 179.25 179.52 2asy h LEU 63 N -0.47 0.00 -0.25 0.00 -0.00 -1.71 -2.45 115.31 110.43 2asy h LEU 63 Ca 0.05 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.73 2asy h LEU 63 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.19 2asy h LEU 63 CO -0.23 0.43 -0.90 0.00 -0.00 0.00 0.00 178.44 177.74 2asy h ALA 64 N 1.57 0.49 0.00 0.17 0.00 -1.50 -3.23 119.26 116.76 2asy h ALA 64 Ca -0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2asy h ALA 64 Cb 0.78 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2asy h ALA 64 CO 0.06 0.93 0.00 0.66 0.00 0.00 0.00 179.25 180.89 2asy n TYR 65 N -3.64 0.00 -0.32 0.00 4.02 0.15 -2.98 117.16 114.38 2asy n TYR 65 Ca -0.04 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.89 2asy n TYR 65 Cb 0.82 -0.36 0.22 0.00 -0.02 0.00 0.00 39.34 40.01 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 0.94 -1.01 7.72 8.10 -1.53 -1.50 115.31 128.03 2asy h LEU 66 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 57.88 58.00 2asy h LEU 66 Cb 0.31 -0.19 -0.05 0.00 -0.44 0.00 0.00 40.66 40.29 2asy h LEU 66 CO 0.00 0.60 0.61 -0.08 -4.11 0.00 0.00 178.44 175.46 2asy h GLU 67 N 1.07 1.28 0.14 0.17 4.57 -1.78 0.24 114.58 120.25 2asy h GLU 67 Ca 0.41 -0.10 0.02 0.00 -1.18 0.00 0.00 59.36 58.51 2asy h GLU 67 Cb 0.21 -0.28 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 2asy h GLU 67 CO -0.16 0.87 -0.28 -0.22 -1.18 0.00 0.00 179.01 178.04 2asy h LYS 68 N 1.31 -0.49 -0.08 1.92 1.63 -1.46 0.58 116.57 119.98 2asy h LYS 68 Ca 0.35 0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 60.16 2asy h LYS 68 Cb -0.11 0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2asy h LYS 68 CO -0.07 -0.33 -0.02 0.45 -3.45 0.00 0.00 179.45 176.04 2asy h HIS 69 N -0.51 0.17 -0.78 1.91 3.86 -1.05 -2.97 115.15 115.79 2asy h HIS 69 Ca 0.03 -0.04 0.10 0.00 -1.16 0.00 0.00 60.37 59.30 2asy h HIS 69 Cb 0.53 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.90 2asy h HIS 69 CO -0.25 0.47 0.51 1.15 0.86 0.00 0.00 177.93 180.67 2asy h THR 70 N -0.18 0.94 -0.25 2.45 2.02 -0.42 -2.51 112.91 114.98 2asy h THR 70 Ca 0.02 -0.24 0.07 0.00 0.77 0.00 0.00 66.41 67.03 2asy h THR 70 Cb 0.41 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 2asy h THR 70 CO 0.01 0.13 0.44 0.00 0.37 0.00 0.00 175.52 176.47 2asy h ALA 71 N 1.61 1.82 0.00 6.16 0.00 0.34 0.77 119.26 129.96 2asy h ALA 71 Ca 0.36 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.14 2asy h ALA 71 Cb 0.45 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2asy h ALA 71 CO -0.13 -0.57 -0.69 0.00 0.00 0.00 0.00 179.25 177.86 2asy h ARG 72 N 0.00 0.00 0.00 0.00 -0.00 -1.60 -3.28 114.38 109.50 2asy h ARG 72 Ca 0.12 0.00 -0.10 0.00 -0.50 0.00 0.00 59.98 59.49 2asy h ARG 72 Cb 1.00 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.96 2asy h ARG 72 CO -0.00 0.89 -0.49 1.37 0.00 0.00 0.00 179.97 181.74 2asy h LEU 73 N -1.00 0.00 -0.94 3.04 8.10 -1.16 -1.69 115.31 121.65 2asy h LEU 73 Ca -0.18 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.70 2asy h LEU 73 Cb 1.08 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.28 2asy h LEU 73 CO -0.11 0.49 -0.45 0.07 -4.11 0.00 0.00 178.44 174.33 2asy h LYS 74 N 0.00 0.17 0.27 0.17 2.10 0.30 0.39 116.57 119.98 2asy h LYS 74 Ca -0.00 -0.09 -0.01 0.00 -2.00 0.00 0.00 60.65 58.54 2asy h LYS 74 Cb 1.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.69 2asy h LYS 74 CO 0.06 0.59 -0.13 -0.97 -2.00 0.00 0.00 179.45 177.01 2asy h ASN 75 N 0.14 -0.31 0.00 7.07 -0.73 -1.53 -3.41 115.58 116.82 2asy h ASN 75 Ca 0.01 -0.22 0.00 0.00 1.87 0.00 0.00 56.30 57.95 2asy h ASN 75 Cb 0.86 0.08 0.00 0.00 0.27 0.00 0.00 38.32 39.52 2asy h ASN 75 CO 0.07 0.15 -0.79 0.00 -0.37 0.00 0.00 177.43 176.49 2asy n LEU 76 N -5.05 0.00 0.00 0.34 -0.00 -0.67 -5.03 117.00 106.59 2asy n LEU 76 Ca -0.08 -0.08 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 2asy n LEU 76 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.68 2asy n LEU 76 CO 0.26 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.26 2asy n GLY 77 N 2.13 0.99 0.00 1.47 0.00 0.12 -4.96 105.19 104.94 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 -0.12 -4.73 118.33 118.23 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 -3.59 1.45 1.02 -1.26 -4.83 120.64 113.44 2asy n GLU 79 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 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 0.28 1.10 0.13 3.49 2.02 -1.26 -4.27 118.70 120.19 2asy s GLU 80 Ca 0.00 -0.61 -0.30 0.00 0.02 0.00 0.00 54.97 54.08 2asy s GLU 80 Cb 0.00 0.49 -0.07 0.00 0.10 0.00 0.00 34.13 34.66 2asy s GLU 80 CO 0.00 -0.44 1.09 0.08 0.02 0.00 0.00 175.26 176.01 2asy s VAL 81 N -3.64 4.08 -0.54 2.63 1.01 -1.26 -4.69 120.40 117.99 2asy s VAL 81 Ca 0.02 1.69 -0.21 0.00 0.00 0.00 0.00 61.98 63.48 2asy s VAL 81 Cb 0.01 -4.08 0.06 0.00 0.00 0.00 0.00 36.38 32.37 2asy s VAL 81 CO -0.11 0.24 0.76 -0.69 0.00 0.00 0.00 175.10 175.30 2asy s VAL 82 N 0.16 4.68 -0.05 2.92 1.01 0.11 -4.94 120.40 124.30 2asy s VAL 82 Ca 0.51 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.21 2asy s VAL 82 Cb -0.28 -4.42 0.02 0.00 0.00 0.00 0.00 36.38 31.70 2asy s VAL 82 CO 0.32 -0.98 -0.05 0.00 0.00 0.00 0.00 175.10 174.39 2asy s ALA 83 N 3.15 0.73 0.10 5.51 0.00 -1.25 -1.88 121.76 128.12 2asy s ALA 83 Ca 0.20 -0.09 -0.06 0.00 0.00 0.00 0.00 51.96 52.01 2asy s ALA 83 Cb -0.17 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 2asy s ALA 83 CO 0.13 0.00 0.13 0.15 0.00 0.00 0.00 175.76 176.18 2asy s LYS 84 N 0.88 0.86 -0.30 0.00 3.01 -0.92 -4.90 119.74 118.38 2asy s LYS 84 Ca -0.12 -1.15 0.00 0.00 -1.01 0.00 0.00 55.97 53.70 2asy s LYS 84 Cb -0.14 0.30 0.06 0.00 -1.01 0.00 0.00 37.83 37.04 2asy s LYS 84 CO 0.01 -0.26 -0.02 0.08 0.51 0.00 0.00 175.35 175.67 2asy s VAL 85 N -3.93 2.66 0.62 3.17 1.01 -1.26 -0.23 120.40 122.44 2asy s VAL 85 Ca 0.11 -1.59 0.01 0.00 0.00 0.00 0.00 61.98 60.51 2asy s VAL 85 Cb 0.06 -2.60 0.12 0.00 0.00 0.00 0.00 36.38 33.96 2asy s VAL 85 CO -0.06 -0.16 0.85 2.22 0.00 0.00 0.00 175.10 177.95 2asy n PHE 86 N 4.52 -2.90 -4.13 5.22 1.16 -1.26 -5.04 117.46 115.03 2asy n PHE 86 Ca -0.11 -1.59 -0.17 0.00 -1.87 0.00 0.00 57.45 53.71 2asy n PHE 86 Cb 0.43 -0.61 -0.15 0.00 -1.61 0.00 0.00 39.48 37.53 2asy n PHE 86 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2asy s ASP 87 N -4.50 0.63 0.34 5.98 2.15 -1.26 -4.93 116.67 115.08 2asy s ASP 87 Ca 0.57 -0.09 -0.25 0.00 0.43 0.00 0.00 52.55 53.21 2asy s ASP 87 Cb -0.03 -0.14 -0.10 0.00 -0.30 0.00 0.00 42.92 42.35 2asy s ASP 87 CO 0.38 0.03 0.97 0.68 -0.17 0.00 0.00 175.17 177.05 2asy s VAL 88 N 0.16 4.12 -0.23 1.11 -7.23 -1.26 -5.04 120.40 112.03 2asy s VAL 88 Ca -0.01 1.71 -0.03 0.00 -1.81 0.00 0.00 61.98 61.83 2asy s VAL 88 Cb -0.05 -3.92 0.07 0.00 0.56 0.00 0.00 36.38 33.04 2asy s VAL 88 CO -0.00 0.09 0.07 0.21 -0.31 0.00 0.00 175.10 175.16 2asy s ASN 89 N -1.63 3.16 0.00 4.85 2.47 -1.26 -5.06 114.94 117.47 2asy s ASN 89 Ca 0.52 -1.03 0.30 0.00 0.42 0.00 0.00 52.86 53.07 2asy s ASN 89 Cb -0.19 -0.56 1.49 0.00 -1.45 0.00 0.00 41.25 40.54 2asy s ASN 89 CO 0.24 -0.35 1.99 -0.62 -3.72 0.00 0.00 177.10 174.64 2asy n GLU 90 N 5.07 1.30 -0.29 0.43 1.02 -1.26 -3.96 120.64 122.95 2asy n GLU 90 Ca -0.07 -0.43 0.09 0.00 -0.02 0.00 0.00 57.16 56.73 2asy n GLU 90 Cb 0.46 -1.48 0.32 0.00 -0.02 0.00 0.00 31.44 30.71 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 1.04 0.80 0.00 3.49 0.13 -2.05 -1.26 132.00 134.16 2asy h PRO 91 Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2asy h PRO 91 Cb 0.22 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.17 2asy h PRO 91 CO 0.00 0.53 0.00 1.28 -0.23 0.00 0.00 178.00 179.58 2asy n LEU 92 N -4.56 0.00 0.29 1.56 4.77 -1.25 -3.20 117.00 114.61 2asy n LEU 92 Ca 0.17 0.17 0.17 0.00 -0.03 0.00 0.00 56.01 56.48 2asy n LEU 92 Cb 0.38 -0.17 0.85 0.00 -2.33 0.00 0.00 43.42 42.15 2asy n LEU 92 CO 0.30 -0.00 1.04 0.28 -1.33 0.00 0.00 177.39 177.67 2asy h SER 93 N 0.00 0.00 0.33 -1.43 0.02 -1.46 -1.59 113.55 109.41 2asy h SER 93 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2asy h SER 93 Cb 0.16 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 2asy h SER 93 CO 0.00 0.05 -0.14 1.56 -1.14 0.00 0.00 176.83 177.17 2asy h GLN 94 N 0.00 0.00 -0.14 3.45 4.20 -1.71 -1.34 115.11 119.56 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 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2asy h GLN 94 CO 0.01 0.14 0.00 -0.89 -0.67 0.00 0.00 178.83 177.42 2asy n ILE 95 N -3.79 0.19 -0.01 2.54 -0.00 -0.61 -4.14 119.36 113.54 2asy n ILE 95 Ca -0.02 -0.60 -0.02 0.00 -0.00 0.00 0.00 62.75 62.11 2asy n ILE 95 Cb 0.24 1.23 -0.12 0.00 -0.00 0.00 0.00 39.64 41.00 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 1.14 0.56 -1.19 4.38 2.85 -0.53 -4.38 115.26 118.09 2asy n ASN 96 Ca 0.13 0.25 -0.04 0.00 -0.11 0.00 0.00 54.58 54.81 2asy n ASN 96 Cb 0.51 0.55 0.05 0.00 1.24 0.00 0.00 39.78 42.12 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 -2.80 1.37 0.08 1.20 6.02 -1.06 -3.15 117.38 119.04 2asy n GLN 97 Ca -0.15 -0.66 -0.22 0.00 -0.01 0.00 0.00 57.00 55.95 2asy n GLN 97 Cb 0.91 -1.33 -0.15 0.00 1.02 0.00 0.00 30.24 30.69 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 1.89 0.14 0.00 -1.58 0.00 -1.78 -3.29 119.26 114.65 2asy h ALA 98 Ca 0.12 -1.11 -0.05 0.00 0.00 0.00 0.00 54.91 53.87 2asy h ALA 98 Cb 1.31 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 2asy h ALA 98 CO 0.22 1.01 -1.55 1.63 0.00 0.00 0.00 179.25 180.56 2asy n LYS 99 N -3.58 0.87 -0.03 0.00 4.76 -1.21 -4.50 118.16 114.48 2asy n LYS 99 Ca -0.23 -0.07 0.11 0.00 -2.87 0.00 0.00 58.31 55.25 2asy n LYS 99 Cb 1.07 -1.26 0.53 0.00 -1.84 0.00 0.00 35.03 33.53 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 -2.01 0.92 0.00 -0.35 7.99 -1.19 -5.22 117.00 117.14 2asy n LEU 100 Ca -0.06 -0.36 0.00 0.00 -0.01 0.00 0.00 56.01 55.58 2asy n LEU 100 Cb 0.43 -0.04 0.00 0.00 -0.11 0.00 0.00 43.42 43.70 2asy n LEU 100 CO 0.23 0.18 0.00 0.00 -1.51 0.00 0.00 177.39 176.29