#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 -0.40 -1.76 -5.12 0.00 -1.23 -4.97 120.51 107.02 2asy n ALA 2 Ca 0.00 0.12 -0.40 0.00 0.00 0.00 0.00 53.44 53.16 2asy n ALA 2 Cb 0.00 -1.85 -0.03 0.00 0.00 0.00 0.00 19.45 17.57 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 -2.73 3.25 -0.24 0.00 2.01 -0.34 -4.81 115.64 112.78 2asy s THR 3 Ca 0.10 1.22 -0.09 0.00 0.31 0.00 0.00 61.69 63.23 2asy s THR 3 Cb -0.04 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 2asy s THR 3 CO 0.12 0.26 0.12 -0.22 -0.69 0.00 0.00 174.62 174.21 2asy s LEU 4 N -1.73 3.81 0.08 4.42 2.96 -1.26 0.72 118.68 127.67 2asy s LEU 4 Ca 0.48 -0.02 0.06 0.00 -0.22 0.00 0.00 54.13 54.43 2asy s LEU 4 Cb -0.33 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 2asy s LEU 4 CO 0.43 0.03 -0.16 -0.22 -1.32 0.00 0.00 176.35 175.11 2asy s LEU 5 N 1.23 2.28 -0.14 -0.68 0.20 0.72 -3.30 118.68 118.99 2asy s LEU 5 Ca 0.06 -0.63 -0.16 0.00 0.69 0.00 0.00 54.13 54.09 2asy s LEU 5 Cb -0.14 -0.65 -0.04 0.00 -0.43 0.00 0.00 46.19 44.93 2asy s LEU 5 CO 0.05 -0.02 0.39 -1.10 -0.29 0.00 0.00 176.35 175.37 2asy s GLN 6 N -1.76 4.29 -0.24 1.98 -0.21 0.84 -0.34 119.66 124.21 2asy s GLN 6 Ca 0.01 0.28 -0.02 0.00 0.02 0.00 0.00 55.36 55.64 2asy s GLN 6 Cb -0.10 -3.43 0.11 0.00 1.00 0.00 0.00 33.01 30.60 2asy s GLN 6 CO 0.03 0.21 0.27 -1.17 -2.12 0.00 0.00 175.29 172.51 2asy s LEU 7 N 0.50 -0.20 0.17 2.90 1.98 0.00 -2.29 118.68 121.74 2asy s LEU 7 Ca 0.21 -0.41 -0.20 0.00 -2.89 0.00 0.00 54.13 50.85 2asy s LEU 7 Cb -0.14 0.50 0.05 0.00 0.66 0.00 0.00 46.19 47.25 2asy s LEU 7 CO 0.07 -0.35 0.55 -1.38 -1.89 0.00 0.00 176.35 173.35 2asy s HIS 8 N 2.36 -0.33 0.35 5.38 -3.43 -0.71 -2.08 115.29 116.82 2asy s HIS 8 Ca 0.09 0.05 -0.07 0.00 -0.80 0.00 0.00 55.06 54.32 2asy s HIS 8 Cb -0.15 0.47 0.02 0.00 -1.43 0.00 0.00 32.58 31.48 2asy s HIS 8 CO -0.21 -0.87 0.56 -0.59 -2.00 0.00 0.00 174.74 171.63 2asy s PHE 9 N -3.81 0.73 0.34 0.38 -0.71 -0.53 0.21 117.98 114.59 2asy s PHE 9 Ca 0.04 -1.10 -0.27 0.00 -1.04 0.00 0.00 56.93 54.56 2asy s PHE 9 Cb -0.01 0.20 -0.09 0.00 -1.21 0.00 0.00 43.02 41.91 2asy s PHE 9 CO -0.09 -1.24 1.10 0.00 -1.34 0.00 0.00 175.22 173.65 2asy s ALA 10 N -2.95 3.27 0.75 1.99 0.00 -1.26 0.30 121.76 123.85 2asy s ALA 10 Ca 0.26 0.85 -0.11 0.00 0.00 0.00 0.00 51.96 52.96 2asy s ALA 10 Cb -0.02 -3.32 0.04 0.00 0.00 0.00 0.00 23.12 19.82 2asy s ALA 10 CO 0.17 -0.24 1.08 0.12 0.00 0.00 0.00 175.76 176.89 2asy s PHE 11 N -1.36 2.74 -0.90 0.00 5.36 -0.12 -3.63 117.98 120.08 2asy s PHE 11 Ca 0.51 1.51 -0.03 0.00 -0.96 0.00 0.00 56.93 57.96 2asy s PHE 11 Cb -0.29 -3.00 0.00 0.00 -0.34 0.00 0.00 43.02 39.40 2asy s PHE 11 CO 0.37 -1.62 0.46 -1.71 -1.46 0.00 0.00 175.22 171.25 2asy n ASN 12 N -3.39 -4.39 -0.02 6.13 5.15 -1.26 -4.79 115.26 112.69 2asy n ASN 12 Ca 0.09 -0.21 -0.02 0.00 -0.60 0.00 0.00 54.58 53.83 2asy n ASN 12 Cb 0.53 -3.19 -0.01 0.00 -0.53 0.00 0.00 39.78 36.59 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 -1.27 -0.40 3.95 8.20 0.00 -1.24 -4.75 105.19 109.68 2asy n GLY 13 Ca -0.05 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.48 1.64 0.42 1.61 0.04 -1.26 -4.20 135.00 131.77 2asy s PRO 14 Ca -0.07 -0.53 0.14 0.00 0.04 0.00 0.00 61.00 60.58 2asy s PRO 14 Cb 0.01 -2.13 0.91 0.00 0.04 0.00 0.00 34.50 33.34 2asy s PRO 14 CO 0.10 -1.61 1.94 0.74 0.04 0.00 0.00 177.00 178.21 2asy h PHE 15 N -0.86 0.02 0.00 0.56 0.04 -1.98 -3.47 116.94 111.26 2asy h PHE 15 Ca -0.42 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.35 2asy h PHE 15 Cb 1.28 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.43 2asy h PHE 15 CO -0.21 0.24 0.00 0.41 -0.60 0.00 0.00 178.31 178.16 2asy n GLY 16 N -0.86 3.65 0.31 -1.45 0.00 -1.26 -4.76 105.19 100.81 2asy n GLY 16 Ca -0.02 -0.73 0.17 0.00 0.00 0.00 0.00 46.02 45.44 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 2.00 0.00 -1.04 1.61 3.32 -1.95 0.40 116.42 120.76 2asy h ASP 17 Ca 0.00 0.00 0.28 0.00 0.02 0.00 0.00 57.03 57.33 2asy h ASP 17 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 2asy h ASP 17 CO 0.00 0.02 0.70 0.00 -1.72 0.00 0.00 179.24 178.24 2asy h ALA 18 N 1.98 2.52 0.00 3.45 0.00 -1.93 0.46 119.26 125.75 2asy h ALA 18 Ca -0.00 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 2asy h ALA 18 Cb 0.07 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2asy h ALA 18 CO 0.00 -0.88 -1.31 -1.33 0.00 0.00 0.00 179.25 175.73 2asy n MET 19 N -4.46 0.53 0.26 0.00 2.81 0.06 -1.41 117.12 114.91 2asy n MET 19 Ca 0.24 0.30 0.15 0.00 -1.81 0.00 0.00 57.70 56.58 2asy n MET 19 Cb 0.96 -1.51 0.80 0.00 -0.71 0.00 0.00 33.22 32.76 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 -0.96 1.12 0.00 3.04 0.00 -1.15 -3.16 119.26 118.14 2asy h ALA 20 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2asy h ALA 20 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2asy h ALA 20 CO -0.12 -0.12 0.00 -1.91 0.00 0.00 0.00 179.25 177.11 2asy n GLU 21 N -2.62 0.00 0.20 0.00 2.13 0.32 -4.91 120.64 115.75 2asy n GLU 21 Ca -0.02 0.00 0.14 0.00 0.66 0.00 0.00 57.16 57.94 2asy n GLU 21 Cb 0.18 0.00 0.66 0.00 0.27 0.00 0.00 31.44 32.55 2asy n GLU 21 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2asy h GLN 22 N 0.00 0.00 0.00 5.31 1.08 -0.36 -0.88 115.11 120.27 2asy h GLN 22 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2asy h GLN 22 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2asy h GLN 22 CO 0.00 0.00 0.00 -0.11 -0.95 0.00 0.00 178.83 177.77 2asy n LEU 23 N -2.51 0.70 0.02 1.46 7.94 -0.50 -1.26 117.00 122.84 2asy n LEU 23 Ca 0.00 0.57 -0.08 0.00 -1.11 0.00 0.00 56.01 55.38 2asy n LEU 23 Cb 0.16 -0.35 -0.06 0.00 0.53 0.00 0.00 43.42 43.70 2asy n LEU 23 CO 0.18 -0.16 0.28 0.50 -1.11 0.00 0.00 177.39 177.08 2asy h LYS 24 N 0.00 -0.16 0.00 1.96 3.64 -1.37 -3.26 116.57 117.38 2asy h LYS 24 Ca 0.00 0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.22 2asy h LYS 24 Cb 0.70 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 2asy h LYS 24 CO 0.00 0.24 -1.69 -0.35 -2.27 0.00 0.00 179.45 175.38 2asy n PRO 25 N -4.86 0.64 -0.17 1.90 -0.04 -1.24 -4.40 135.00 126.84 2asy n PRO 25 Ca -0.06 0.10 0.08 0.00 -0.04 0.00 0.00 63.50 63.57 2asy n PRO 25 Cb 0.23 -1.70 0.16 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 -2.74 2.96 -0.28 1.53 4.77 -0.39 -4.69 117.00 118.17 2asy n LEU 26 Ca -0.13 -1.68 0.07 0.00 -0.03 0.00 0.00 56.01 54.24 2asy n LEU 26 Cb 0.84 -0.22 0.18 0.00 -2.33 0.00 0.00 43.42 41.89 2asy n LEU 26 CO 0.43 0.69 0.81 0.00 -1.33 0.00 0.00 177.39 178.00 2asy h ALA 27 N 2.87 0.86 0.00 -1.18 0.00 -1.59 0.51 119.26 120.73 2asy h ALA 27 Ca 0.00 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2asy h ALA 27 Cb 0.76 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2asy h ALA 27 CO 0.00 -0.45 -0.10 1.05 0.00 0.00 0.00 179.25 179.75 2asy h GLU 28 N 0.08 0.00 0.00 0.00 4.11 -1.84 0.01 114.58 116.95 2asy h GLU 28 Ca 0.46 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.67 2asy h GLU 28 Cb 0.83 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 2asy h GLU 28 CO -0.74 0.10 -1.31 0.43 0.07 0.00 0.00 179.01 177.56 2asy n SER 29 N -3.44 1.87 -0.08 3.06 7.64 0.14 -3.88 113.62 118.93 2asy n SER 29 Ca -0.01 0.45 -0.14 0.00 1.01 0.00 0.00 58.87 60.18 2asy n SER 29 Cb 0.26 -0.91 -0.10 0.00 -1.01 0.00 0.00 64.21 62.44 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 1.24 0.00 0.44 -0.00 -0.26 -3.36 117.51 114.57 2asy h ILE 30 Ca -0.32 -2.06 -0.15 0.00 -0.00 0.00 0.00 64.86 62.33 2asy h ILE 30 Cb 1.19 2.48 -0.02 0.00 -0.00 0.00 0.00 36.82 40.46 2asy h ILE 30 CO -0.20 0.42 -0.70 -1.13 -0.00 0.00 0.00 178.15 176.55 2asy h ASN 31 N -1.00 0.00 -0.12 2.16 -1.24 -1.23 -3.46 115.58 110.69 2asy h ASN 31 Ca -0.09 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.87 2asy h ASN 31 Cb 0.92 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.95 2asy h ASN 31 CO -0.05 0.70 -0.05 0.00 -1.29 0.00 0.00 177.43 176.74 2asy n GLN 32 N -3.27 -0.72 -4.41 6.67 1.13 -0.38 -3.91 117.38 112.49 2asy n GLN 32 Ca 0.01 0.38 -0.27 0.00 -1.94 0.00 0.00 57.00 55.19 2asy n GLN 32 Cb 0.82 -4.05 -0.12 0.00 0.11 0.00 0.00 30.24 27.00 2asy n GLN 32 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2asy s GLU 33 N -1.38 1.46 -0.02 -1.09 4.04 -1.26 -4.96 118.70 115.50 2asy s GLU 33 Ca 0.00 -1.48 -0.23 0.00 0.04 0.00 0.00 54.97 53.30 2asy s GLU 33 Cb 0.00 -1.79 -0.16 0.00 0.02 0.00 0.00 34.13 32.20 2asy s GLU 33 CO 0.00 0.39 1.09 -1.00 -1.84 0.00 0.00 175.26 173.90 2asy h PRO 34 N 3.33 -0.28 -4.61 -4.83 0.13 -1.95 -3.40 132.00 120.39 2asy h PRO 34 Ca -0.47 0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.50 2asy h PRO 34 Cb 1.20 0.06 0.13 0.00 0.13 0.00 0.00 31.00 32.53 2asy h PRO 34 CO 0.47 0.10 -0.57 0.41 -0.23 0.00 0.00 178.00 178.18 2asy n GLY 35 N 0.11 -0.39 0.27 1.56 0.00 -1.26 -4.94 105.19 100.54 2asy n GLY 35 Ca -0.09 0.21 0.03 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.88 0.59 0.00 1.61 -1.00 -1.93 -3.31 116.94 112.02 2asy h PHE 36 Ca -0.41 0.03 -0.24 0.00 2.81 0.00 0.00 57.97 60.16 2asy h PHE 36 Cb 1.22 -0.15 -0.04 0.00 3.61 0.00 0.00 35.95 40.59 2asy h PHE 36 CO 0.23 0.16 -1.51 1.28 -1.61 0.00 0.00 178.31 176.86 2asy n LEU 37 N -4.92 1.89 -4.05 1.54 7.99 -1.24 -5.03 117.00 113.18 2asy n LEU 37 Ca 0.13 0.42 -0.11 0.00 -0.01 0.00 0.00 56.01 56.44 2asy n LEU 37 Cb 0.34 -0.89 -0.05 0.00 -0.11 0.00 0.00 43.42 42.71 2asy n LEU 37 CO 0.22 0.20 0.11 -1.66 -1.51 0.00 0.00 177.39 174.75 2asy s TRP 38 N -2.44 0.69 0.33 -1.77 1.48 -1.21 -4.99 118.94 111.03 2asy s TRP 38 Ca -0.30 -1.00 0.09 0.00 -1.06 0.00 0.00 56.10 53.83 2asy s TRP 38 Cb 0.08 0.01 -0.05 0.00 -1.16 0.00 0.00 33.47 32.35 2asy s TRP 38 CO 0.49 -1.00 0.03 0.21 -4.06 0.00 0.00 176.95 172.62 2asy s LYS 39 N -3.70 2.14 -0.24 3.25 2.47 -1.26 -4.46 119.74 117.94 2asy s LYS 39 Ca 0.27 -1.69 -0.19 0.00 -1.56 0.00 0.00 55.97 52.80 2asy s LYS 39 Cb 0.00 -1.99 -0.02 0.00 -1.46 0.00 0.00 37.83 34.36 2asy s LYS 39 CO 0.13 0.15 0.57 0.54 0.16 0.00 0.00 175.35 176.90 2asy s VAL 40 N -2.49 5.04 -0.69 4.02 0.11 -1.26 -4.90 120.40 120.23 2asy s VAL 40 Ca 0.35 1.02 0.05 0.00 -2.93 0.00 0.00 61.98 60.48 2asy s VAL 40 Cb -0.01 -3.88 0.19 0.00 -1.53 0.00 0.00 36.38 31.15 2asy s VAL 40 CO 0.20 0.08 0.57 -2.67 -3.33 0.00 0.00 175.10 169.95 2asy n TRP 41 N 5.43 3.38 -3.93 1.54 4.27 -1.26 -4.99 117.44 121.88 2asy n TRP 41 Ca -0.03 -4.27 -0.10 0.00 -3.89 0.00 0.00 57.50 49.21 2asy n TRP 41 Cb 0.50 -0.61 -0.11 0.00 -1.36 0.00 0.00 31.31 29.72 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 -1.77 0.08 -0.29 -1.67 2.01 -1.26 -4.94 115.64 107.79 2asy s THR 42 Ca 0.29 -0.67 -0.14 0.00 0.31 0.00 0.00 61.69 61.48 2asy s THR 42 Cb 0.01 -0.26 0.12 0.00 0.01 0.00 0.00 72.50 72.38 2asy s THR 42 CO -0.12 -0.37 0.78 -0.70 -0.69 0.00 0.00 174.62 173.52 2asy s GLU 43 N -1.14 0.54 -0.35 4.92 2.12 -1.26 -3.83 118.70 119.69 2asy s GLU 43 Ca -0.12 1.10 -0.00 0.00 0.36 0.00 0.00 54.97 56.30 2asy s GLU 43 Cb -0.07 0.40 0.13 0.00 0.26 0.00 0.00 34.13 34.85 2asy s GLU 43 CO -0.00 -0.14 0.20 -1.12 -0.54 0.00 0.00 175.26 173.65 2asy s SER 44 N 2.09 3.19 0.36 -1.70 0.01 -0.15 -4.95 113.70 112.55 2asy s SER 44 Ca -0.07 -2.10 0.18 0.00 1.31 0.00 0.00 55.95 55.26 2asy s SER 44 Cb -0.07 -0.50 0.59 0.00 0.21 0.00 0.00 66.02 66.25 2asy s SER 44 CO -0.18 -0.33 1.69 1.05 0.41 0.00 0.00 173.24 175.89 2asy h GLU 45 N 7.21 0.00 0.00 12.44 4.11 -1.96 0.13 114.58 136.52 2asy h GLU 45 Ca 0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.40 2asy h GLU 45 Cb 0.97 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 2asy h GLU 45 CO 0.33 0.41 -0.18 1.57 0.07 0.00 0.00 179.01 181.21 2asy h LYS 46 N 0.00 0.00 0.00 1.06 -0.00 -1.92 -3.06 116.57 112.65 2asy h LYS 46 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 2asy h LYS 46 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.19 2asy h LYS 46 CO 0.05 0.18 -0.93 -1.71 -0.00 0.00 0.00 179.45 177.05 2asy n ASN 47 N -4.15 1.57 -1.23 7.07 2.85 -1.06 -5.00 115.26 115.31 2asy n ASN 47 Ca -0.02 -0.37 -0.07 0.00 -0.11 0.00 0.00 54.58 54.00 2asy n ASN 47 Cb 0.26 1.22 0.01 0.00 1.24 0.00 0.00 39.78 42.51 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 -1.52 -0.71 -4.14 1.20 8.25 0.39 -5.00 115.22 113.69 2asy n HIS 48 Ca 0.00 0.20 -0.15 0.00 -0.26 0.00 0.00 57.72 57.52 2asy n HIS 48 Cb 0.20 -2.19 -0.11 0.00 1.12 0.00 0.00 29.99 29.01 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 -5.01 0.74 -0.12 -0.41 2.56 -0.75 -0.94 118.70 114.76 2asy s GLU 49 Ca 0.12 -0.99 -0.04 0.00 0.00 0.00 0.00 54.97 54.06 2asy s GLU 49 Cb -0.05 -0.51 0.05 0.00 2.00 0.00 0.00 34.13 35.61 2asy s GLU 49 CO 0.15 0.09 0.07 0.00 -0.56 0.00 0.00 175.26 175.01 2asy s ALA 50 N -1.87 0.39 0.00 6.30 0.00 0.15 -0.97 121.76 125.75 2asy s ALA 50 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.82 2asy s ALA 50 Cb -0.06 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.18 2asy s ALA 50 CO 0.00 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.28 2asy n GLY 51 N 5.27 4.00 0.00 0.00 0.00 -1.25 -1.45 105.19 111.76 2asy n GLY 51 Ca -0.06 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.63 4.66 3.03 -0.02 0.00 -0.88 -4.72 105.19 105.63 2asy n GLY 52 Ca 0.00 -0.63 -0.18 0.00 0.00 0.00 0.00 46.02 45.21 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 3.88 0.68 0.23 -0.61 -1.09 -1.26 -0.82 121.20 122.21 2asy s ILE 53 Ca 0.00 -0.51 -0.18 0.00 -2.23 0.00 0.00 60.65 57.72 2asy s ILE 53 Cb 0.00 -0.60 0.02 0.00 -1.58 0.00 0.00 42.46 40.30 2asy s ILE 53 CO 0.00 0.09 0.58 -0.72 -1.23 0.00 0.00 174.94 173.66 2asy s TYR 54 N -0.41 -0.10 -0.09 3.97 1.13 0.54 -4.84 117.35 117.54 2asy s TYR 54 Ca 0.01 -0.27 -0.25 0.00 -1.41 0.00 0.00 57.07 55.16 2asy s TYR 54 Cb -0.04 0.47 -0.03 0.00 -1.10 0.00 0.00 41.96 41.25 2asy s TYR 54 CO -0.00 -1.02 0.77 -0.51 -2.51 0.00 0.00 175.55 172.28 2asy s LEU 55 N -2.90 4.28 0.14 -3.49 1.02 -1.26 -0.20 118.68 116.27 2asy s LEU 55 Ca 0.11 1.23 0.07 0.00 0.02 0.00 0.00 54.13 55.56 2asy s LEU 55 Cb -0.02 -3.18 -0.04 0.00 0.02 0.00 0.00 46.19 42.97 2asy s LEU 55 CO 0.01 -0.22 -0.04 0.12 0.02 0.00 0.00 176.35 176.24 2asy s PHE 56 N 1.24 2.81 0.60 0.29 5.36 0.22 -3.34 117.98 125.15 2asy s PHE 56 Ca 0.39 -0.14 0.29 0.00 -0.96 0.00 0.00 56.93 56.51 2asy s PHE 56 Cb -0.18 -1.40 1.38 0.00 -0.34 0.00 0.00 43.02 42.48 2asy s PHE 56 CO 0.18 0.48 1.79 0.00 -1.46 0.00 0.00 175.22 176.21 2asy h THR 57 N 2.79 0.28 -1.98 0.12 1.03 -1.96 -0.90 112.91 112.30 2asy h THR 57 Ca -0.48 0.00 0.34 0.00 -0.01 0.00 0.00 66.41 66.26 2asy h THR 57 Cb 1.19 0.50 -0.08 0.00 -1.07 0.00 0.00 68.15 68.69 2asy h THR 57 CO 0.56 0.00 0.89 1.51 -0.01 0.00 0.00 175.52 178.47 2asy s ASP 58 N -4.85 -0.01 -0.20 0.00 1.47 -1.26 -0.26 116.67 111.56 2asy s ASP 58 Ca -0.04 -0.19 -0.16 0.00 1.18 0.00 0.00 52.55 53.34 2asy s ASP 58 Cb 0.15 0.15 -0.20 0.00 -0.34 0.00 0.00 42.92 42.68 2asy s ASP 58 CO 0.52 -0.30 0.15 -0.62 0.68 0.00 0.00 175.17 175.61 2asy n GLU 59 N -0.81 0.62 -0.37 2.11 1.02 -1.26 -3.39 120.64 118.56 2asy n GLU 59 Ca 0.01 0.44 0.04 0.00 -0.02 0.00 0.00 57.16 57.62 2asy n GLU 59 Cb 0.60 -1.69 0.19 0.00 -0.02 0.00 0.00 31.44 30.51 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 -0.69 1.09 0.00 3.49 2.10 -2.01 -0.40 116.57 120.15 2asy h LYS 60 Ca -0.43 -0.07 -0.19 0.00 -2.00 0.00 0.00 60.65 57.96 2asy h LYS 60 Cb 1.56 -0.25 -0.03 0.00 -0.90 0.00 0.00 32.23 32.61 2asy h LYS 60 CO -0.16 0.72 -0.92 0.77 -2.00 0.00 0.00 179.45 177.86 2asy h SER 61 N 1.12 0.01 -0.27 7.07 0.02 -1.99 -3.31 113.55 116.19 2asy h SER 61 Ca 0.45 -0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.45 2asy h SER 61 Cb 0.26 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.74 2asy h SER 61 CO -0.20 0.92 -0.06 0.00 -1.14 0.00 0.00 176.83 176.35 2asy h ALA 62 N 1.08 0.18 0.00 3.77 0.00 -1.09 0.28 119.26 123.49 2asy h ALA 62 Ca -0.01 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2asy h ALA 62 Cb 1.62 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 2asy h ALA 62 CO 0.12 -0.46 -0.37 1.37 0.00 0.00 0.00 179.25 179.91 2asy h LEU 63 N 0.01 0.00 -0.44 0.00 -0.00 -1.62 -2.42 115.31 110.85 2asy h LEU 63 Ca 0.13 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.86 2asy h LEU 63 Cb 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.83 2asy h LEU 63 CO -0.27 0.37 -0.71 0.00 -0.00 0.00 0.00 178.44 177.83 2asy h ALA 64 N 1.63 0.73 0.00 0.17 0.00 -1.41 -3.19 119.26 117.19 2asy h ALA 64 Ca -0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 2asy h ALA 64 Cb 0.87 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2asy h ALA 64 CO 0.05 0.89 -0.08 1.88 0.00 0.00 0.00 179.25 181.99 2asy h TYR 65 N 0.00 0.00 -0.79 0.00 -1.99 0.02 -3.19 116.97 111.03 2asy h TYR 65 Ca -0.01 0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.81 2asy h TYR 65 Cb 1.34 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 40.02 2asy h TYR 65 CO 0.00 0.08 0.52 1.37 -0.00 0.00 0.00 178.16 180.13 2asy h LEU 66 N 0.00 0.68 -2.08 3.88 8.10 -1.51 0.11 115.31 124.48 2asy h LEU 66 Ca -0.00 0.01 -0.01 0.00 0.11 0.00 0.00 57.88 57.99 2asy h LEU 66 Cb 0.78 -0.13 -0.00 0.00 -0.44 0.00 0.00 40.66 40.87 2asy h LEU 66 CO 0.01 0.41 -0.05 -0.08 -4.11 0.00 0.00 178.44 174.63 2asy h GLU 67 N 0.76 0.00 -0.15 0.17 4.22 -1.76 0.24 114.58 118.06 2asy h GLU 67 Ca 0.36 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.76 2asy h GLU 67 Cb 0.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 2asy h GLU 67 CO -0.13 0.05 -0.05 0.87 -2.18 0.00 0.00 179.01 177.56 2asy h LYS 68 N 0.00 0.30 -0.04 1.92 6.56 -1.15 0.24 116.57 124.40 2asy h LYS 68 Ca -0.00 -0.12 -0.13 0.00 -1.06 0.00 0.00 60.65 59.34 2asy h LYS 68 Cb 0.30 -0.01 0.01 0.00 -0.57 0.00 0.00 32.23 31.95 2asy h LYS 68 CO 0.01 0.59 -0.48 0.45 -2.06 0.00 0.00 179.45 177.96 2asy h HIS 69 N -0.01 0.56 -0.82 -1.35 3.86 -1.36 -3.16 115.15 112.87 2asy h HIS 69 Ca 0.04 -0.28 0.08 0.00 -1.16 0.00 0.00 60.37 59.05 2asy h HIS 69 Cb 0.49 -0.07 -0.07 0.00 1.06 0.00 0.00 27.41 28.82 2asy h HIS 69 CO 0.06 1.07 0.48 1.15 0.86 0.00 0.00 177.93 181.55 2asy h THR 70 N -0.11 0.96 -0.03 2.45 2.02 -0.58 -1.64 112.91 115.98 2asy h THR 70 Ca -0.05 -0.29 0.01 0.00 0.77 0.00 0.00 66.41 66.85 2asy h THR 70 Cb 1.17 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2asy h THR 70 CO 0.10 0.15 0.17 0.00 0.37 0.00 0.00 175.52 176.31 2asy h ALA 71 N 1.43 1.26 0.00 6.16 0.00 -0.48 0.64 119.26 128.27 2asy h ALA 71 Ca 0.38 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.21 2asy h ALA 71 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2asy h ALA 71 CO -0.22 -0.18 -0.56 0.00 0.00 0.00 0.00 179.25 178.29 2asy h ARG 72 N 0.00 0.00 0.00 0.00 -0.00 -1.40 -3.38 114.38 109.60 2asy h ARG 72 Ca 0.01 0.00 -0.10 0.00 -0.50 0.00 0.00 59.98 59.40 2asy h ARG 72 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.31 2asy h ARG 72 CO -0.00 0.60 -0.46 1.37 0.00 0.00 0.00 179.97 181.47 2asy h LEU 73 N -1.00 0.00 -1.49 3.04 8.10 -0.79 -0.07 115.31 123.11 2asy h LEU 73 Ca -0.12 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.85 2asy h LEU 73 Cb 0.82 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.02 2asy h LEU 73 CO -0.07 0.46 0.11 0.07 -4.11 0.00 0.00 178.44 174.89 2asy h LYS 74 N 0.00 0.45 0.00 0.17 2.10 0.05 0.36 116.57 119.70 2asy h LYS 74 Ca -0.00 -0.06 -0.04 0.00 -2.00 0.00 0.00 60.65 58.54 2asy h LYS 74 Cb 1.30 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 32.54 2asy h LYS 74 CO 0.06 0.39 -0.38 -0.91 -2.00 0.00 0.00 179.45 176.61 2asy h ASN 75 N 0.45 0.00 0.00 7.07 4.21 -1.67 -3.43 115.58 122.21 2asy h ASN 75 Ca 0.11 -0.31 0.00 0.00 1.21 0.00 0.00 56.30 57.31 2asy h ASN 75 Cb 0.13 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 2asy h ASN 75 CO -0.01 0.87 -0.47 0.00 -1.29 0.00 0.00 177.43 176.53 2asy n LEU 76 N -4.63 0.41 0.00 1.61 -0.00 -0.06 -4.95 117.00 109.38 2asy n LEU 76 Ca -0.10 -0.48 0.00 0.00 -0.00 0.00 0.00 56.01 55.43 2asy n LEU 76 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.72 2asy n LEU 76 CO 0.14 0.10 0.00 0.61 -0.00 0.00 0.00 177.39 178.24 2asy n GLY 77 N 1.25 -0.21 0.00 1.47 0.00 0.98 -4.79 105.19 103.89 2asy n GLY 77 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.45 -4.43 118.33 119.10 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 -3.74 1.45 -0.58 -1.26 -4.73 120.64 111.78 2asy n GLU 79 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 2asy n GLU 79 Cb 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.82 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 0.01 1.24 0.11 3.49 2.02 -1.26 -4.19 118.70 120.12 2asy s GLU 80 Ca 0.00 -0.87 -0.29 0.00 0.02 0.00 0.00 54.97 53.83 2asy s GLU 80 Cb 0.00 0.48 -0.06 0.00 0.10 0.00 0.00 34.13 34.65 2asy s GLU 80 CO 0.00 -0.50 0.93 0.08 0.02 0.00 0.00 175.26 175.79 2asy s VAL 81 N -3.87 4.50 -0.46 2.63 1.01 -1.26 -4.64 120.40 118.32 2asy s VAL 81 Ca 0.09 2.02 -0.18 0.00 0.00 0.00 0.00 61.98 63.90 2asy s VAL 81 Cb 0.01 -4.30 0.04 0.00 0.00 0.00 0.00 36.38 32.13 2asy s VAL 81 CO -0.05 0.34 0.51 -0.69 0.00 0.00 0.00 175.10 175.20 2asy s VAL 82 N -0.10 5.02 -0.07 2.92 1.01 0.13 -4.95 120.40 124.36 2asy s VAL 82 Ca 0.45 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 2asy s VAL 82 Cb -0.23 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.03 2asy s VAL 82 CO 0.29 -0.58 -0.02 0.00 0.00 0.00 0.00 175.10 174.80 2asy s ALA 83 N 2.28 0.80 0.06 5.51 0.00 -1.25 -1.74 121.76 127.41 2asy s ALA 83 Ca 0.13 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 51.92 2asy s ALA 83 Cb -0.18 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 2asy s ALA 83 CO 0.13 -0.38 -0.07 0.15 0.00 0.00 0.00 175.76 175.59 2asy s LYS 84 N 1.77 0.60 -0.23 0.00 3.01 -0.97 -4.88 119.74 119.04 2asy s LYS 84 Ca 0.03 -0.94 -0.06 0.00 -1.01 0.00 0.00 55.97 53.99 2asy s LYS 84 Cb -0.13 -0.21 -0.02 0.00 -1.01 0.00 0.00 37.83 36.46 2asy s LYS 84 CO -0.05 0.01 0.02 0.08 0.51 0.00 0.00 175.35 175.93 2asy s VAL 85 N -2.17 3.97 0.34 3.17 1.01 -1.26 -0.12 120.40 125.33 2asy s VAL 85 Ca -0.03 -0.29 0.09 0.00 0.00 0.00 0.00 61.98 61.74 2asy s VAL 85 Cb -0.05 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 2asy s VAL 85 CO -0.02 0.38 0.06 0.72 0.00 0.00 0.00 175.10 176.25 2asy s PHE 86 N 1.47 2.62 -0.00 5.22 -0.71 -1.21 -5.02 117.98 120.35 2asy s PHE 86 Ca 0.05 -0.40 0.03 0.00 -1.04 0.00 0.00 56.93 55.57 2asy s PHE 86 Cb -0.15 -1.53 -0.01 0.00 -1.21 0.00 0.00 43.02 40.12 2asy s PHE 86 CO 0.01 0.43 -0.10 0.34 -1.34 0.00 0.00 175.22 174.56 2asy s ASP 87 N -3.77 1.14 0.09 1.98 2.15 -1.26 -4.62 116.67 112.39 2asy s ASP 87 Ca 0.36 -0.21 -0.31 0.00 0.43 0.00 0.00 52.55 52.82 2asy s ASP 87 Cb -0.01 -0.11 -0.07 0.00 -0.30 0.00 0.00 42.92 42.43 2asy s ASP 87 CO 0.21 0.09 1.27 0.68 -0.17 0.00 0.00 175.17 177.25 2asy s VAL 88 N -0.34 3.71 -0.48 1.11 -7.23 -1.26 -4.98 120.40 110.94 2asy s VAL 88 Ca 0.03 1.25 -0.16 0.00 -1.81 0.00 0.00 61.98 61.29 2asy s VAL 88 Cb -0.04 -3.80 0.07 0.00 0.56 0.00 0.00 36.38 33.17 2asy s VAL 88 CO -0.00 0.11 0.41 0.21 -0.31 0.00 0.00 175.10 175.51 2asy s ASN 89 N 0.98 6.15 0.32 4.85 3.84 -1.26 -4.98 114.94 124.85 2asy s ASN 89 Ca 0.60 -1.34 0.00 0.00 0.21 0.00 0.00 52.86 52.34 2asy s ASN 89 Cb -0.33 -2.19 0.54 0.00 -0.55 0.00 0.00 41.25 38.72 2asy s ASN 89 CO 0.30 -0.66 1.97 -0.33 -2.79 0.00 0.00 177.10 175.59 2asy h GLU 90 N 8.77 0.92 -0.77 0.43 5.08 -2.02 -3.16 114.58 123.83 2asy h GLU 90 Ca -0.28 -0.07 0.14 0.00 -1.00 0.00 0.00 59.36 58.15 2asy h GLU 90 Cb 1.11 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 30.11 2asy h GLU 90 CO 0.89 0.64 0.51 -1.00 -1.00 0.00 0.00 179.01 179.05 2asy h PRO 91 N 0.94 0.45 -0.08 2.33 0.13 -2.05 -1.36 132.00 132.36 2asy h PRO 91 Ca 0.25 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 2asy h PRO 91 Cb -0.05 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 30.98 2asy h PRO 91 CO -0.05 0.30 0.00 1.28 -0.23 0.00 0.00 178.00 179.30 2asy n LEU 92 N -4.49 1.29 0.26 1.56 7.99 -1.19 -3.80 117.00 118.63 2asy n LEU 92 Ca 0.14 -0.50 0.13 0.00 -0.01 0.00 0.00 56.01 55.78 2asy n LEU 92 Cb 0.51 -0.05 0.70 0.00 -0.11 0.00 0.00 43.42 44.47 2asy n LEU 92 CO 0.32 0.25 0.96 0.77 -1.51 0.00 0.00 177.39 178.18 2asy h SER 93 N 1.84 0.00 -0.70 -1.43 4.64 -1.40 -1.95 113.55 114.55 2asy h SER 93 Ca 0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 2asy h SER 93 Cb 0.40 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.45 2asy h SER 93 CO 0.00 0.13 0.46 1.56 -0.87 0.00 0.00 176.83 178.11 2asy h GLN 94 N 0.00 0.70 -0.25 4.77 4.20 -1.77 0.51 115.11 123.27 2asy h GLN 94 Ca -0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2asy h GLN 94 Cb 0.38 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2asy h GLN 94 CO 0.02 0.46 0.00 -0.89 -0.67 0.00 0.00 178.83 177.75 2asy n ILE 95 N -4.48 0.31 0.25 2.54 -0.00 -0.74 -3.62 119.36 113.64 2asy n ILE 95 Ca 0.10 -0.50 0.09 0.00 -0.00 0.00 0.00 62.75 62.44 2asy n ILE 95 Cb 0.23 0.63 -0.13 0.00 -0.00 0.00 0.00 39.64 40.37 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 0.79 0.84 -2.31 4.38 2.85 0.12 -4.68 115.26 117.25 2asy n ASN 96 Ca 0.17 -0.29 -0.22 0.00 -0.11 0.00 0.00 54.58 54.13 2asy n ASN 96 Cb 0.44 1.57 -0.07 0.00 1.24 0.00 0.00 39.78 42.96 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 -1.91 2.23 -0.03 1.20 6.02 -0.93 -3.87 117.38 120.10 2asy n GLN 97 Ca -0.01 -1.94 -0.03 0.00 -0.01 0.00 0.00 57.00 55.01 2asy n GLN 97 Cb 0.41 -2.05 -0.01 0.00 1.02 0.00 0.00 30.24 29.62 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 1.20 0.28 0.73 -1.58 0.00 -1.26 -4.31 120.51 115.58 2asy n ALA 98 Ca 0.45 -0.43 0.13 0.00 0.00 0.00 0.00 53.44 53.59 2asy n ALA 98 Cb 0.64 0.01 0.41 0.00 0.00 0.00 0.00 19.45 20.51 2asy n ALA 98 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2asy n LYS 99 N -3.13 0.19 -0.36 0.00 4.76 -1.26 -2.80 118.16 115.56 2asy n LYS 99 Ca -0.04 0.13 0.07 0.00 -2.87 0.00 0.00 58.31 55.59 2asy n LYS 99 Cb 0.17 -1.69 0.23 0.00 -1.84 0.00 0.00 35.03 31.90 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 3.11 0.00 -0.35 7.99 -1.25 -5.25 117.00 119.24 2asy n LEU 100 Ca 0.06 -1.56 0.00 0.00 -0.01 0.00 0.00 56.01 54.49 2asy n LEU 100 Cb 0.40 -0.42 0.00 0.00 -0.11 0.00 0.00 43.42 43.30 2asy n LEU 100 CO 0.31 0.62 0.00 0.00 -1.51 0.00 0.00 177.39 176.80