#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 -0.32 -1.77 -5.12 0.00 -1.24 -5.02 120.51 107.05 2asy n ALA 2 Ca 0.00 0.09 -0.38 0.00 0.00 0.00 0.00 53.44 53.15 2asy n ALA 2 Cb 0.00 -1.53 -0.01 0.00 0.00 0.00 0.00 19.45 17.91 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 -2.61 2.87 -0.20 0.00 2.01 -0.74 -4.80 115.64 112.17 2asy s THR 3 Ca 0.06 0.73 -0.08 0.00 0.31 0.00 0.00 61.69 62.71 2asy s THR 3 Cb -0.03 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 2asy s THR 3 CO 0.08 0.06 0.08 -0.22 -0.69 0.00 0.00 174.62 173.93 2asy s LEU 4 N -2.65 3.84 0.04 4.42 2.96 -1.26 0.16 118.68 126.19 2asy s LEU 4 Ca 0.59 0.06 0.04 0.00 -0.22 0.00 0.00 54.13 54.60 2asy s LEU 4 Cb -0.34 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.34 2asy s LEU 4 CO 0.42 0.13 -0.11 -0.22 -1.32 0.00 0.00 176.35 175.25 2asy s LEU 5 N 0.65 2.18 -0.03 -0.68 0.20 0.12 -3.99 118.68 117.12 2asy s LEU 5 Ca 0.04 -0.45 -0.27 0.00 0.69 0.00 0.00 54.13 54.14 2asy s LEU 5 Cb -0.13 -0.44 -0.03 0.00 -0.43 0.00 0.00 46.19 45.16 2asy s LEU 5 CO 0.01 -0.03 0.85 -1.10 -0.29 0.00 0.00 176.35 175.79 2asy s GLN 6 N -1.18 4.50 -0.28 1.98 -0.21 0.82 -0.43 119.66 124.86 2asy s GLN 6 Ca -0.02 1.17 0.01 0.00 0.02 0.00 0.00 55.36 56.54 2asy s GLN 6 Cb -0.08 -3.46 0.15 0.00 1.00 0.00 0.00 33.01 30.63 2asy s GLN 6 CO 0.01 -0.00 0.38 -1.17 -2.12 0.00 0.00 175.29 172.38 2asy s LEU 7 N 0.94 -0.64 0.20 2.90 1.98 0.78 -2.11 118.68 122.73 2asy s LEU 7 Ca 0.45 -0.36 -0.20 0.00 -2.89 0.00 0.00 54.13 51.13 2asy s LEU 7 Cb -0.19 0.97 0.04 0.00 0.66 0.00 0.00 46.19 47.67 2asy s LEU 7 CO 0.23 -0.35 0.59 -1.38 -1.89 0.00 0.00 176.35 173.55 2asy s HIS 8 N 2.50 -0.25 0.24 5.38 -3.43 -0.61 -1.75 115.29 117.37 2asy s HIS 8 Ca 0.10 -0.08 -0.17 0.00 -0.80 0.00 0.00 55.06 54.11 2asy s HIS 8 Cb -0.13 0.51 0.02 0.00 -1.43 0.00 0.00 32.58 31.54 2asy s HIS 8 CO -0.28 -0.97 0.57 -0.59 -2.00 0.00 0.00 174.74 171.47 2asy s PHE 9 N -3.85 -0.01 0.65 0.38 -0.71 -0.75 -0.02 117.98 113.67 2asy s PHE 9 Ca 0.07 -0.37 -0.17 0.00 -1.04 0.00 0.00 56.93 55.42 2asy s PHE 9 Cb -0.02 0.44 -0.01 0.00 -1.21 0.00 0.00 43.02 42.22 2asy s PHE 9 CO -0.04 -1.04 1.18 0.00 -1.34 0.00 0.00 175.22 173.98 2asy s ALA 10 N -3.93 2.40 0.63 1.99 0.00 -1.26 -0.19 121.76 121.40 2asy s ALA 10 Ca 0.13 0.84 -0.09 0.00 0.00 0.00 0.00 51.96 52.84 2asy s ALA 10 Cb -0.02 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 2asy s ALA 10 CO 0.04 -1.38 0.99 0.12 0.00 0.00 0.00 175.76 175.53 2asy s PHE 11 N -1.92 3.42 -0.57 0.00 5.36 0.89 -3.96 117.98 121.21 2asy s PHE 11 Ca 0.73 0.99 0.00 0.00 -0.96 0.00 0.00 56.93 57.69 2asy s PHE 11 Cb -0.27 -2.80 0.00 0.00 -0.34 0.00 0.00 43.02 39.61 2asy s PHE 11 CO 0.38 -0.85 0.00 -1.71 -1.46 0.00 0.00 175.22 171.58 2asy n ASN 12 N -2.75 -3.17 -0.02 6.13 5.15 -1.26 -4.82 115.26 114.52 2asy n ASN 12 Ca 0.05 0.08 -0.01 0.00 -0.60 0.00 0.00 54.58 54.10 2asy n ASN 12 Cb 0.56 -1.71 -0.00 0.00 -0.53 0.00 0.00 39.78 38.09 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 -1.78 -0.61 3.96 8.20 0.00 -1.25 -4.62 105.19 109.09 2asy n GLY 13 Ca -0.06 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.36 2.19 0.42 1.61 0.04 -1.26 -4.08 135.00 132.57 2asy s PRO 14 Ca -0.05 -0.65 0.14 0.00 0.04 0.00 0.00 61.00 60.49 2asy s PRO 14 Cb 0.01 -2.32 1.02 0.00 0.04 0.00 0.00 34.50 33.24 2asy s PRO 14 CO 0.07 -1.09 1.93 0.74 0.04 0.00 0.00 177.00 178.68 2asy h PHE 15 N -0.33 0.51 0.00 0.56 0.04 -1.99 -3.46 116.94 112.27 2asy h PHE 15 Ca -0.42 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.37 2asy h PHE 15 Cb 1.30 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 39.28 2asy h PHE 15 CO 0.20 0.21 0.00 0.41 -0.60 0.00 0.00 178.31 178.53 2asy n GLY 16 N -1.51 3.89 0.28 -1.45 0.00 -1.26 -4.72 105.19 100.41 2asy n GLY 16 Ca 0.14 -0.95 0.06 0.00 0.00 0.00 0.00 46.02 45.27 2asy n GLY 16 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2asy h ASP 17 N 1.69 0.24 -0.38 1.61 2.03 -1.96 0.53 116.42 120.18 2asy h ASP 17 Ca 0.00 -0.01 0.11 0.00 -0.73 0.00 0.00 57.03 56.40 2asy h ASP 17 Cb 0.00 -0.06 -0.02 0.00 -0.83 0.00 0.00 39.33 38.43 2asy h ASP 17 CO 0.00 0.19 0.47 0.00 -1.03 0.00 0.00 179.24 178.88 2asy h ALA 18 N 1.85 2.04 0.00 4.15 0.00 -1.91 0.75 119.26 126.14 2asy h ALA 18 Ca 0.07 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.72 2asy h ALA 18 Cb 0.01 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2asy h ALA 18 CO -0.01 -0.67 -1.92 -1.33 0.00 0.00 0.00 179.25 175.32 2asy n MET 19 N -3.55 0.40 -0.02 0.00 2.81 -0.03 -1.77 117.12 114.95 2asy n MET 19 Ca 0.07 0.10 -0.07 0.00 -1.81 0.00 0.00 57.70 55.99 2asy n MET 19 Cb 0.63 -1.29 0.12 0.00 -0.71 0.00 0.00 33.22 31.98 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 -0.10 0.91 0.00 3.04 0.00 -0.52 -3.36 119.26 119.23 2asy h ALA 20 Ca -0.37 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2asy h ALA 20 Cb 1.53 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2asy h ALA 20 CO -0.09 0.62 -0.13 -1.91 0.00 0.00 0.00 179.25 177.74 2asy n GLU 21 N -4.07 0.00 0.00 0.00 2.13 0.11 -4.81 120.64 114.00 2asy n GLU 21 Ca -0.01 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.91 2asy n GLU 21 Cb 0.47 -0.36 0.59 0.00 0.27 0.00 0.00 31.44 32.41 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 -2.01 0.94 0.06 5.31 1.13 0.22 -2.73 117.38 120.30 2asy n GLN 22 Ca 0.00 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.85 2asy n GLN 22 Cb 0.06 -1.33 -0.13 0.00 0.11 0.00 0.00 30.24 28.96 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 0.00 0.73 -0.85 1.08 5.85 -1.48 -2.55 115.31 118.09 2asy h LEU 23 Ca 0.00 -0.83 -0.01 0.00 0.84 0.00 0.00 57.88 57.88 2asy h LEU 23 Cb 0.00 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 2asy h LEU 23 CO 0.00 1.49 0.50 0.07 -0.34 0.00 0.00 178.44 180.16 2asy h LYS 24 N 0.07 1.16 0.00 1.25 2.10 -1.80 0.28 116.57 119.64 2asy h LYS 24 Ca -0.16 -0.11 -0.08 0.00 -2.00 0.00 0.00 60.65 58.30 2asy h LYS 24 Cb 1.73 -0.24 -0.01 0.00 -0.90 0.00 0.00 32.23 32.81 2asy h LYS 24 CO 0.20 0.83 -1.33 -0.35 -2.00 0.00 0.00 179.45 176.79 2asy n PRO 25 N -4.41 0.62 0.00 0.07 -0.04 -1.26 -4.52 135.00 125.46 2asy n PRO 25 Ca 0.09 0.12 0.05 0.00 -0.04 0.00 0.00 63.50 63.72 2asy n PRO 25 Cb 0.07 -1.77 0.02 0.00 -0.04 0.00 0.00 33.50 31.77 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 -2.72 1.46 -0.30 1.53 4.77 -0.96 -4.70 117.00 116.09 2asy n LEU 26 Ca -0.06 -0.85 0.13 0.00 -0.03 0.00 0.00 56.01 55.20 2asy n LEU 26 Cb 0.69 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 42.07 2asy n LEU 26 CO 0.42 0.29 0.96 0.00 -1.33 0.00 0.00 177.39 177.73 2asy h ALA 27 N 1.86 1.30 0.00 -1.18 0.00 -0.59 0.46 119.26 121.12 2asy h ALA 27 Ca 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2asy h ALA 27 Cb 0.38 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2asy h ALA 27 CO 0.00 -0.45 -0.06 1.05 0.00 0.00 0.00 179.25 179.80 2asy h GLU 28 N 0.24 0.00 0.00 0.00 4.11 -1.84 -1.18 114.58 115.91 2asy h GLU 28 Ca 0.55 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.65 2asy h GLU 28 Cb 1.11 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.31 2asy h GLU 28 CO -0.63 0.06 -2.09 0.45 0.07 0.00 0.00 179.01 176.87 2asy n SER 29 N -3.29 1.81 -0.03 3.06 2.88 0.12 -3.46 113.62 114.71 2asy n SER 29 Ca -0.01 0.31 -0.13 0.00 -1.33 0.00 0.00 58.87 57.71 2asy n SER 29 Cb 0.23 -0.74 -0.10 0.00 -0.75 0.00 0.00 64.21 62.86 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 -0.92 1.44 0.00 2.46 -0.00 -0.39 -3.26 117.51 116.84 2asy h ILE 30 Ca -0.50 -1.38 -0.23 0.00 -0.00 0.00 0.00 64.86 62.75 2asy h ILE 30 Cb 1.42 2.29 -0.04 0.00 -0.00 0.00 0.00 36.82 40.49 2asy h ILE 30 CO -0.31 0.37 -1.39 0.78 -0.00 0.00 0.00 178.15 177.61 2asy h ASN 31 N -0.43 0.00 -5.85 2.16 4.21 -1.61 -3.46 115.58 110.60 2asy h ASN 31 Ca 0.00 0.00 -0.37 0.00 1.21 0.00 0.00 56.30 57.14 2asy h ASN 31 Cb 0.64 0.00 0.12 0.00 -1.12 0.00 0.00 38.32 37.96 2asy h ASN 31 CO 0.01 0.84 -0.81 1.67 -1.29 0.00 0.00 177.43 177.86 2asy n GLN 32 N -3.07 -5.49 -4.35 0.81 7.27 -0.50 -3.92 117.38 108.12 2asy n GLN 32 Ca -0.10 0.74 -0.19 0.00 0.07 0.00 0.00 57.00 57.51 2asy n GLN 32 Cb 0.94 -5.52 -0.10 0.00 2.41 0.00 0.00 30.24 27.98 2asy n GLN 32 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 2asy s GLU 33 N -5.60 1.34 -0.02 3.69 -1.05 -1.26 -4.96 118.70 110.85 2asy s GLU 33 Ca 0.04 -1.56 -0.00 0.00 -0.15 0.00 0.00 54.97 53.29 2asy s GLU 33 Cb -0.01 -1.20 -0.00 0.00 -0.44 0.00 0.00 34.13 32.48 2asy s GLU 33 CO 0.77 0.21 -0.01 -1.35 0.95 0.00 0.00 175.26 175.83 2asy h PRO 34 N 2.67 0.00 0.00 -4.83 0.11 -1.95 -3.42 132.00 124.58 2asy h PRO 34 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2asy h PRO 34 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 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 1.90 2.29 5.00 -0.55 0.00 -1.26 -4.91 105.19 107.66 2asy n GLY 35 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.95 117.46 118.80 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 0.00 4.37 -0.00 -1.90 -3.49 115.31 114.29 2asy h LEU 37 Ca 0.00 -0.10 0.17 0.00 -0.00 0.00 0.00 57.88 57.94 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 0.77 0.54 -2.67 -0.00 0.00 0.00 178.44 177.07 2asy n TRP 38 N -4.65 -0.99 -4.13 1.13 4.27 -1.24 -5.02 117.44 106.81 2asy n TRP 38 Ca -0.08 -0.91 -0.09 0.00 -3.89 0.00 0.00 57.50 52.53 2asy n TRP 38 Cb 0.24 0.44 -0.10 0.00 -1.36 0.00 0.00 31.31 30.53 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 -2.03 0.79 0.09 -2.67 2.20 -1.26 -4.25 119.74 112.61 2asy s LYS 39 Ca 0.20 -1.34 -0.17 0.00 -0.36 0.00 0.00 55.97 54.29 2asy s LYS 39 Cb -0.02 0.14 -0.07 0.00 -1.51 0.00 0.00 37.83 36.37 2asy s LYS 39 CO 0.03 -0.16 0.55 0.54 -0.36 0.00 0.00 175.35 175.96 2asy s VAL 40 N -3.92 4.80 -0.67 4.02 0.11 -1.26 -4.98 120.40 118.50 2asy s VAL 40 Ca 0.15 1.07 0.01 0.00 -2.93 0.00 0.00 61.98 60.28 2asy s VAL 40 Cb 0.07 -3.83 0.17 0.00 -1.53 0.00 0.00 36.38 31.26 2asy s VAL 40 CO -0.04 0.45 0.47 -1.66 -3.33 0.00 0.00 175.10 171.00 2asy s TRP 41 N -1.23 3.48 -0.03 1.54 1.48 -1.26 -4.91 118.94 118.01 2asy s TRP 41 Ca 0.32 -3.04 -0.10 0.00 -1.06 0.00 0.00 56.10 52.22 2asy s TRP 41 Cb -0.18 -3.00 0.01 0.00 -1.16 0.00 0.00 33.47 29.14 2asy s TRP 41 CO 0.19 -0.73 0.22 0.99 -4.06 0.00 0.00 176.95 173.56 2asy s THR 42 N -0.70 0.05 -0.22 0.66 2.01 -1.26 -5.05 115.64 111.13 2asy s THR 42 Ca 0.21 -0.42 -0.14 0.00 0.31 0.00 0.00 61.69 61.65 2asy s THR 42 Cb -0.16 -0.46 0.07 0.00 0.01 0.00 0.00 72.50 71.96 2asy s THR 42 CO -0.07 -0.23 0.55 -0.70 -0.69 0.00 0.00 174.62 173.48 2asy s GLU 43 N -0.91 0.57 -0.14 4.92 2.12 -1.26 -3.37 118.70 120.64 2asy s GLU 43 Ca -0.10 0.95 -0.04 0.00 0.36 0.00 0.00 54.97 56.14 2asy s GLU 43 Cb -0.05 0.12 0.06 0.00 0.26 0.00 0.00 34.13 34.52 2asy s GLU 43 CO 0.02 -0.14 0.12 -1.12 -0.54 0.00 0.00 175.26 173.60 2asy s SER 44 N 1.23 1.73 0.05 -1.70 0.01 -0.68 -4.98 113.70 109.35 2asy s SER 44 Ca -0.07 -0.29 -0.13 0.00 1.31 0.00 0.00 55.95 56.77 2asy s SER 44 Cb -0.06 -0.04 -0.32 0.00 0.21 0.00 0.00 66.02 65.81 2asy s SER 44 CO -0.12 -0.31 1.06 1.05 0.41 0.00 0.00 173.24 175.32 2asy h GLU 45 N 8.40 0.49 0.00 12.44 9.09 -1.97 -1.34 114.58 141.69 2asy h GLU 45 Ca -0.15 -0.79 0.00 0.00 0.05 0.00 0.00 59.36 58.47 2asy h GLU 45 Cb 1.14 0.29 0.00 0.00 -1.65 0.00 0.00 28.75 28.53 2asy h GLU 45 CO 0.24 1.37 0.00 1.57 0.05 0.00 0.00 179.01 182.25 2asy h LYS 46 N 0.15 0.00 0.00 1.06 -0.00 -1.94 -2.17 116.57 113.68 2asy h LYS 46 Ca -0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.42 2asy h LYS 46 Cb 2.07 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 34.30 2asy h LYS 46 CO 0.25 0.00 -1.74 -1.71 -0.00 0.00 0.00 179.45 176.26 2asy n ASN 47 N -2.83 0.24 -2.76 7.07 5.15 -1.23 -4.97 115.26 115.94 2asy n ASN 47 Ca 0.03 0.09 -0.20 0.00 -0.60 0.00 0.00 54.58 53.91 2asy n ASN 47 Cb 0.40 1.52 0.04 0.00 -0.53 0.00 0.00 39.78 41.21 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 -2.40 -1.89 -3.77 1.20 8.25 -0.56 -4.95 115.22 111.09 2asy n HIS 48 Ca -0.04 0.56 -0.12 0.00 -0.26 0.00 0.00 57.72 57.85 2asy n HIS 48 Cb 0.59 -4.15 -0.08 0.00 1.12 0.00 0.00 29.99 27.47 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 -5.68 0.71 -0.05 -0.41 2.12 -0.85 -0.08 118.70 114.46 2asy s GLU 49 Ca 0.32 -0.35 -0.03 0.00 0.36 0.00 0.00 54.97 55.28 2asy s GLU 49 Cb -0.14 0.31 0.03 0.00 0.26 0.00 0.00 34.13 34.59 2asy s GLU 49 CO 0.40 -0.21 0.12 0.00 -0.54 0.00 0.00 175.26 175.03 2asy s ALA 50 N -1.85 -0.21 0.00 6.30 0.00 0.74 -1.69 121.76 125.05 2asy s ALA 50 Ca -0.10 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.40 2asy s ALA 50 Cb -0.04 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.72 2asy s ALA 50 CO 0.01 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.05 2asy n GLY 51 N 3.96 0.61 0.00 0.00 0.00 -1.22 -1.80 105.19 106.74 2asy n GLY 51 Ca -0.24 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.47 1.18 3.07 -0.02 0.00 -0.72 -4.78 105.19 103.45 2asy n GLY 52 Ca 0.00 0.35 -0.20 0.00 0.00 0.00 0.00 46.02 46.17 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 2.15 0.88 0.29 -0.61 -1.09 -1.26 -0.16 121.20 121.40 2asy s ILE 53 Ca 0.00 -0.55 -0.15 0.00 -2.23 0.00 0.00 60.65 57.72 2asy s ILE 53 Cb 0.00 -0.75 0.01 0.00 -1.58 0.00 0.00 42.46 40.14 2asy s ILE 53 CO 0.00 0.19 0.59 -0.72 -1.23 0.00 0.00 174.94 173.78 2asy s TYR 54 N -0.36 0.24 0.06 3.97 -0.85 0.43 -4.59 117.35 116.24 2asy s TYR 54 Ca 0.03 -0.66 -0.23 0.00 -0.52 0.00 0.00 57.07 55.69 2asy s TYR 54 Cb -0.05 0.40 -0.06 0.00 0.38 0.00 0.00 41.96 42.63 2asy s TYR 54 CO -0.00 -1.16 0.70 -0.51 -1.52 0.00 0.00 175.55 173.06 2asy s LEU 55 N -3.02 4.47 0.11 -3.49 1.02 -1.26 0.11 118.68 116.64 2asy s LEU 55 Ca 0.19 1.39 0.10 0.00 0.02 0.00 0.00 54.13 55.83 2asy s LEU 55 Cb -0.03 -3.13 -0.04 0.00 0.02 0.00 0.00 46.19 43.02 2asy s LEU 55 CO 0.10 0.10 -0.24 0.12 0.02 0.00 0.00 176.35 176.45 2asy s PHE 56 N -0.39 2.07 0.53 0.29 5.36 0.12 -3.59 117.98 122.37 2asy s PHE 56 Ca 0.35 -0.40 0.21 0.00 -0.96 0.00 0.00 56.93 56.13 2asy s PHE 56 Cb -0.20 -1.13 1.15 0.00 -0.34 0.00 0.00 43.02 42.49 2asy s PHE 56 CO 0.22 0.26 1.62 0.00 -1.46 0.00 0.00 175.22 175.86 2asy h THR 57 N 3.99 0.00 -2.17 0.12 1.03 -1.68 -1.98 112.91 112.23 2asy h THR 57 Ca -0.48 0.00 0.15 0.00 -0.01 0.00 0.00 66.41 66.06 2asy h THR 57 Cb 1.17 0.47 -0.03 0.00 -1.07 0.00 0.00 68.15 68.70 2asy h THR 57 CO 0.40 0.00 0.48 -0.67 -0.01 0.00 0.00 175.52 175.71 2asy n ASP 58 N -2.63 -1.14 -0.02 0.00 -0.08 -1.26 -2.45 116.55 108.97 2asy n ASP 58 Ca -0.01 -1.53 -0.02 0.00 -1.51 0.00 0.00 54.79 51.72 2asy n ASP 58 Cb 0.48 1.83 -0.05 0.00 2.34 0.00 0.00 41.12 45.72 2asy n ASP 58 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2asy n GLU 59 N -0.55 2.42 0.08 -0.67 0.28 -1.26 -4.00 120.64 116.94 2asy n GLU 59 Ca -0.00 -0.01 -0.10 0.00 -0.16 0.00 0.00 57.16 56.88 2asy n GLU 59 Cb 0.41 -1.16 -0.04 0.00 1.43 0.00 0.00 31.44 32.09 2asy n GLU 59 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 177.13 178.54 2asy h LYS 60 N 0.00 0.22 0.00 3.44 2.10 -2.00 -3.01 116.57 117.32 2asy h LYS 60 Ca -0.13 -0.27 -0.12 0.00 -2.00 0.00 0.00 60.65 58.13 2asy h LYS 60 Cb 1.15 0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 32.55 2asy h LYS 60 CO 0.01 1.02 -0.56 0.66 -2.00 0.00 0.00 179.45 178.57 2asy h SER 61 N 0.11 0.00 0.07 7.07 4.64 -1.99 -3.26 113.55 120.20 2asy h SER 61 Ca -0.06 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.28 2asy h SER 61 Cb 1.60 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.65 2asy h SER 61 CO 0.15 0.56 -0.38 0.00 -0.87 0.00 0.00 176.83 176.29 2asy h ALA 62 N 1.44 -0.64 0.00 5.18 0.00 -1.66 0.84 119.26 124.42 2asy h ALA 62 Ca -0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2asy h ALA 62 Cb 1.36 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 2asy h ALA 62 CO 0.07 -0.93 -0.22 1.37 0.00 0.00 0.00 179.25 179.54 2asy h LEU 63 N -0.59 0.00 -0.86 0.00 -0.00 -1.66 -2.31 115.31 109.89 2asy h LEU 63 Ca 0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.80 2asy h LEU 63 Cb 0.64 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.28 2asy h LEU 63 CO -0.25 0.22 -0.53 0.00 -0.00 0.00 0.00 178.44 177.88 2asy h ALA 64 N 1.78 1.04 0.00 0.17 0.00 -1.43 -2.93 119.26 117.90 2asy h ALA 64 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2asy h ALA 64 Cb 0.76 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2asy h ALA 64 CO 0.03 0.67 -0.23 1.88 0.00 0.00 0.00 179.25 181.60 2asy h TYR 65 N 0.08 0.00 -0.95 0.00 0.05 -0.30 -3.31 116.97 112.54 2asy h TYR 65 Ca -0.00 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.80 2asy h TYR 65 Cb 0.97 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.65 2asy h TYR 65 CO 0.01 0.00 0.63 1.37 -1.05 0.00 0.00 178.16 179.12 2asy h LEU 66 N 0.00 1.06 -1.35 3.88 8.10 -1.29 -1.11 115.31 124.59 2asy h LEU 66 Ca 0.00 -0.02 -0.02 0.00 0.11 0.00 0.00 57.88 57.95 2asy h LEU 66 Cb 0.75 -0.25 -0.02 0.00 -0.44 0.00 0.00 40.66 40.70 2asy h LEU 66 CO 0.00 0.75 0.16 -0.08 -4.11 0.00 0.00 178.44 175.16 2asy h GLU 67 N 1.24 0.60 -0.26 0.17 4.57 -1.73 0.18 114.58 119.36 2asy h GLU 67 Ca 0.37 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.47 2asy h GLU 67 Cb -0.06 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.40 2asy h GLU 67 CO -0.10 0.51 0.16 -0.22 -1.18 0.00 0.00 179.01 178.18 2asy h LYS 68 N 0.60 0.32 0.13 1.92 1.63 -1.37 -0.09 116.57 119.71 2asy h LYS 68 Ca 0.15 -0.02 -0.17 0.00 -0.85 0.00 0.00 60.65 59.75 2asy h LYS 68 Cb 0.13 -0.07 0.02 0.00 -0.60 0.00 0.00 32.23 31.71 2asy h LYS 68 CO -0.01 0.21 -0.76 0.45 -3.45 0.00 0.00 179.45 175.89 2asy h HIS 69 N 0.33 0.52 0.00 1.91 -0.00 -1.18 -3.24 115.15 113.49 2asy h HIS 69 Ca 0.10 -0.37 -0.01 0.00 -0.00 0.00 0.00 60.37 60.08 2asy h HIS 69 Cb -0.02 -0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 27.36 2asy h HIS 69 CO -0.07 1.29 -0.05 0.00 -0.00 0.00 0.00 177.93 179.10 2asy h THR 70 N -0.40 0.52 -0.14 2.45 1.03 -0.63 -1.40 112.91 114.33 2asy h THR 70 Ca -0.13 -0.23 0.04 0.00 -0.01 0.00 0.00 66.41 66.08 2asy h THR 70 Cb 1.59 1.15 -0.01 0.00 -1.07 0.00 0.00 68.15 69.82 2asy h THR 70 CO 0.14 0.05 0.37 0.00 -0.01 0.00 0.00 175.52 176.07 2asy h ALA 71 N 1.95 1.62 0.00 0.00 0.00 -1.03 0.71 119.26 122.50 2asy h ALA 71 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2asy h ALA 71 Cb 0.15 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2asy h ALA 71 CO 0.01 -0.44 -0.77 0.00 0.00 0.00 0.00 179.25 178.04 2asy h ARG 72 N 0.00 0.00 0.00 0.00 -0.00 -1.45 -3.35 114.38 109.58 2asy h ARG 72 Ca 0.07 0.00 -0.10 0.00 -0.50 0.00 0.00 59.98 59.45 2asy h ARG 72 Cb 0.81 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.76 2asy h ARG 72 CO -0.00 0.76 -0.47 1.37 0.00 0.00 0.00 179.97 181.63 2asy h LEU 73 N -1.00 0.00 -1.41 3.04 8.10 -1.29 0.42 115.31 123.17 2asy h LEU 73 Ca -0.19 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.75 2asy h LEU 73 Cb 1.01 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.22 2asy h LEU 73 CO -0.12 0.47 -0.14 0.07 -4.11 0.00 0.00 178.44 174.62 2asy h LYS 74 N 0.00 0.22 0.00 0.17 2.10 0.17 0.38 116.57 119.60 2asy h LYS 74 Ca -0.00 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.58 2asy h LYS 74 Cb 1.32 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.62 2asy h LYS 74 CO 0.06 0.36 -0.25 -0.97 -2.00 0.00 0.00 179.45 176.65 2asy h ASN 75 N 0.21 0.00 0.00 7.07 -0.73 -1.62 -3.43 115.58 117.08 2asy h ASN 75 Ca 0.04 -0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.10 2asy h ASN 75 Cb 0.37 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.96 2asy h ASN 75 CO 0.02 0.69 -0.73 0.00 -0.37 0.00 0.00 177.43 177.04 2asy n LEU 76 N -4.69 0.45 0.00 0.34 -0.00 0.11 -4.97 117.00 108.24 2asy n LEU 76 Ca -0.05 -0.41 0.00 0.00 -0.00 0.00 0.00 56.01 55.55 2asy n LEU 76 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.59 2asy n LEU 76 CO 0.08 0.11 0.00 0.61 -0.00 0.00 0.00 177.39 178.19 2asy n GLY 77 N 1.37 0.79 0.07 1.47 0.00 0.12 -4.85 105.19 104.17 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 -0.74 -4.51 118.33 117.83 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 -0.08 0.00 0.00 -1.06 0.00 0.00 33.84 32.70 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 -1.06 0.00 -3.47 1.45 -0.58 -1.26 -4.92 120.64 110.80 2asy n GLU 79 Ca 0.00 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.60 2asy n GLU 79 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 2asy n GLU 79 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2asy s GLU 80 N 0.31 1.19 0.01 3.49 0.41 -1.26 -4.40 118.70 118.44 2asy s GLU 80 Ca 0.00 -0.26 -0.30 0.00 -0.41 0.00 0.00 54.97 53.99 2asy s GLU 80 Cb 0.00 0.55 -0.05 0.00 -1.78 0.00 0.00 34.13 32.85 2asy s GLU 80 CO 0.00 -0.47 1.23 0.08 -0.49 0.00 0.00 175.26 175.61 2asy s VAL 81 N -2.94 4.07 -0.61 2.63 1.01 -1.26 -4.67 120.40 118.63 2asy s VAL 81 Ca -0.03 1.45 -0.22 0.00 0.00 0.00 0.00 61.98 63.18 2asy s VAL 81 Cb -0.01 -3.93 0.07 0.00 0.00 0.00 0.00 36.38 32.51 2asy s VAL 81 CO -0.06 0.05 0.89 -0.69 0.00 0.00 0.00 175.10 175.29 2asy s VAL 82 N 1.73 4.46 -0.14 2.92 1.01 0.97 -4.93 120.40 126.43 2asy s VAL 82 Ca 0.58 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 62.26 2asy s VAL 82 Cb -0.28 -4.58 0.03 0.00 0.00 0.00 0.00 36.38 31.55 2asy s VAL 82 CO 0.26 -1.26 -0.08 0.00 0.00 0.00 0.00 175.10 174.02 2asy s ALA 83 N 3.71 1.48 0.02 5.51 0.00 -1.25 -1.57 121.76 129.66 2asy s ALA 83 Ca 0.22 -0.71 -0.06 0.00 0.00 0.00 0.00 51.96 51.41 2asy s ALA 83 Cb -0.17 -1.01 -0.01 0.00 0.00 0.00 0.00 23.12 21.93 2asy s ALA 83 CO 0.12 -0.54 0.10 0.15 0.00 0.00 0.00 175.76 175.59 2asy s LYS 84 N 1.64 0.51 -0.30 0.00 1.02 -0.90 -4.82 119.74 116.89 2asy s LYS 84 Ca 0.03 -0.58 -0.06 0.00 0.02 0.00 0.00 55.97 55.38 2asy s LYS 84 Cb -0.14 0.20 0.02 0.00 -0.52 0.00 0.00 37.83 37.40 2asy s LYS 84 CO -0.08 -0.12 0.07 0.08 -0.92 0.00 0.00 175.35 174.38 2asy s VAL 85 N -1.94 3.80 0.29 3.17 1.01 -1.26 -0.13 120.40 125.35 2asy s VAL 85 Ca -0.11 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.09 2asy s VAL 85 Cb -0.05 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 2asy s VAL 85 CO -0.01 0.03 0.42 0.72 0.00 0.00 0.00 175.10 176.25 2asy s PHE 86 N 1.46 3.25 0.09 5.22 -0.12 -1.26 -5.02 117.98 121.61 2asy s PHE 86 Ca 0.01 -0.14 0.04 0.00 -0.05 0.00 0.00 56.93 56.80 2asy s PHE 86 Cb -0.18 -1.81 -0.03 0.00 -0.63 0.00 0.00 43.02 40.37 2asy s PHE 86 CO 0.02 0.19 -0.11 0.34 -0.05 0.00 0.00 175.22 175.61 2asy s ASP 87 N -4.09 1.50 0.49 1.98 -1.08 -1.26 -4.72 116.67 109.50 2asy s ASP 87 Ca 0.40 -0.77 -0.13 0.00 -0.52 0.00 0.00 52.55 51.53 2asy s ASP 87 Cb -0.09 -0.01 -0.07 0.00 -1.46 0.00 0.00 42.92 41.30 2asy s ASP 87 CO 0.30 -0.22 0.91 0.68 0.52 0.00 0.00 175.17 177.36 2asy s VAL 88 N -2.19 4.66 -0.23 1.11 -7.23 -1.26 -5.05 120.40 110.21 2asy s VAL 88 Ca 0.04 0.92 -0.04 0.00 -1.81 0.00 0.00 61.98 61.09 2asy s VAL 88 Cb -0.04 -3.75 0.08 0.00 0.56 0.00 0.00 36.38 33.22 2asy s VAL 88 CO 0.01 -0.70 0.09 0.21 -0.31 0.00 0.00 175.10 174.40 2asy s ASN 89 N -3.30 3.06 0.51 4.85 2.47 -1.26 -5.06 114.94 116.21 2asy s ASN 89 Ca 0.55 -1.00 0.29 0.00 0.42 0.00 0.00 52.86 53.12 2asy s ASN 89 Cb -0.10 -0.44 1.35 0.00 -1.45 0.00 0.00 41.25 40.60 2asy s ASN 89 CO 0.35 -0.37 2.00 -0.33 -3.72 0.00 0.00 177.10 175.03 2asy h GLU 90 N 8.33 0.00 -0.70 0.43 5.08 -2.02 -3.26 114.58 122.45 2asy h GLU 90 Ca -0.17 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.38 2asy h GLU 90 Cb 1.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 2asy h GLU 90 CO 0.37 0.12 0.49 -1.00 -1.00 0.00 0.00 179.01 177.99 2asy h PRO 91 N 0.00 0.08 -0.12 2.33 0.13 -2.06 -0.36 132.00 132.00 2asy h PRO 91 Ca -0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2asy h PRO 91 Cb 0.48 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.59 2asy h PRO 91 CO 0.02 0.06 0.00 1.28 -0.23 0.00 0.00 178.00 179.12 2asy n LEU 92 N -4.37 2.00 0.19 1.56 7.99 -1.23 -3.92 117.00 119.23 2asy n LEU 92 Ca 0.14 -0.76 0.14 0.00 -0.01 0.00 0.00 56.01 55.51 2asy n LEU 92 Cb 0.71 -0.07 0.58 0.00 -0.11 0.00 0.00 43.42 44.53 2asy n LEU 92 CO 0.36 0.38 0.92 -1.28 -1.51 0.00 0.00 177.39 176.26 2asy h SER 93 N 2.86 0.00 0.75 -1.43 0.87 -1.25 -1.82 113.55 113.52 2asy h SER 93 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2asy h SER 93 Cb 0.62 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.57 2asy h SER 93 CO 0.00 0.00 -0.13 1.56 -0.53 0.00 0.00 176.83 177.73 2asy h GLN 94 N 0.00 0.00 -0.01 2.24 4.20 -1.75 -1.08 115.11 118.72 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 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 2asy h GLN 94 CO 0.00 0.13 -0.30 -0.89 -0.67 0.00 0.00 178.83 177.10 2asy n ILE 95 N -3.36 0.00 1.11 2.54 -0.00 -0.69 -3.53 119.36 115.43 2asy n ILE 95 Ca -0.00 -0.09 0.12 0.00 -0.00 0.00 0.00 62.75 62.78 2asy n ILE 95 Cb 0.33 0.33 0.29 0.00 -0.00 0.00 0.00 39.64 40.59 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 -0.87 0.79 -0.70 4.38 5.15 -0.41 -4.23 115.26 119.37 2asy n ASN 96 Ca 0.11 -0.59 0.02 0.00 -0.60 0.00 0.00 54.58 53.51 2asy n ASN 96 Cb 0.34 0.23 0.09 0.00 -0.53 0.00 0.00 39.78 39.90 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 -1.08 1.76 -0.03 1.20 6.02 -1.20 -2.54 117.38 121.50 2asy n GLN 97 Ca 0.09 -0.67 -0.02 0.00 -0.01 0.00 0.00 57.00 56.38 2asy n GLN 97 Cb 0.34 -1.55 -0.01 0.00 1.02 0.00 0.00 30.24 30.04 2asy n GLN 97 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2asy n ALA 98 N 0.10 0.23 0.08 -1.58 0.00 -1.26 -4.24 120.51 113.85 2asy n ALA 98 Ca 0.06 -0.32 0.10 0.00 0.00 0.00 0.00 53.44 53.28 2asy n ALA 98 Cb 0.39 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 2asy n ALA 98 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2asy n LYS 99 N -3.23 0.61 -0.99 0.00 0.00 -1.25 -3.89 118.16 109.42 2asy n LYS 99 Ca -0.04 0.11 -0.03 0.00 0.00 0.00 0.00 58.31 58.35 2asy n LYS 99 Cb 0.14 -1.80 0.33 0.00 0.00 0.00 0.00 35.03 33.70 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 -2.68 5.98 0.00 3.14 4.77 -1.05 -5.21 117.00 121.95 2asy n LEU 100 Ca -0.02 -3.17 0.00 0.00 -0.03 0.00 0.00 56.01 52.79 2asy n LEU 100 Cb 0.60 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2asy n LEU 100 CO 0.41 0.78 0.00 0.00 -1.33 0.00 0.00 177.39 177.25