#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 -0.50 -1.77 -5.12 0.00 -1.25 -4.96 120.51 106.91 2asy n ALA 2 Ca 0.00 0.14 -0.37 0.00 0.00 0.00 0.00 53.44 53.21 2asy n ALA 2 Cb 0.00 -1.90 -0.01 0.00 0.00 0.00 0.00 19.45 17.54 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 -2.86 3.10 -0.17 0.00 2.01 -0.74 -4.78 115.64 112.20 2asy s THR 3 Ca 0.00 0.84 -0.05 0.00 0.31 0.00 0.00 61.69 62.79 2asy s THR 3 Cb 0.00 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.04 2asy s THR 3 CO 0.00 0.01 0.00 -0.22 -0.69 0.00 0.00 174.62 173.72 2asy s LEU 4 N -2.93 3.45 0.05 4.42 2.96 -1.26 0.45 118.68 125.83 2asy s LEU 4 Ca 0.62 -0.07 0.06 0.00 -0.22 0.00 0.00 54.13 54.52 2asy s LEU 4 Cb -0.29 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 2asy s LEU 4 CO 0.36 0.15 -0.16 -0.22 -1.32 0.00 0.00 176.35 175.16 2asy s LEU 5 N 0.47 2.21 -0.09 -0.68 0.20 0.44 -4.24 118.68 116.98 2asy s LEU 5 Ca -0.01 -0.53 -0.24 0.00 0.69 0.00 0.00 54.13 54.04 2asy s LEU 5 Cb -0.14 -0.67 -0.03 0.00 -0.43 0.00 0.00 46.19 44.92 2asy s LEU 5 CO 0.02 0.03 0.75 -1.10 -0.29 0.00 0.00 176.35 175.76 2asy s GLN 6 N -1.36 4.40 -0.32 1.98 -0.21 0.02 -1.03 119.66 123.15 2asy s GLN 6 Ca 0.02 0.95 0.00 0.00 0.02 0.00 0.00 55.36 56.35 2asy s GLN 6 Cb -0.09 -3.48 0.14 0.00 1.00 0.00 0.00 33.01 30.58 2asy s GLN 6 CO 0.02 -0.05 0.30 -1.17 -2.12 0.00 0.00 175.29 172.27 2asy s LEU 7 N 1.18 -0.05 0.12 2.90 1.98 0.48 -2.43 118.68 122.85 2asy s LEU 7 Ca 0.39 -1.12 -0.14 0.00 -2.89 0.00 0.00 54.13 50.36 2asy s LEU 7 Cb -0.18 0.40 0.03 0.00 0.66 0.00 0.00 46.19 47.10 2asy s LEU 7 CO 0.17 -0.35 0.36 -1.38 -1.89 0.00 0.00 176.35 173.26 2asy s HIS 8 N 1.99 -0.11 0.34 5.38 -3.43 -0.53 -1.38 115.29 117.55 2asy s HIS 8 Ca 0.12 -0.23 -0.08 0.00 -0.80 0.00 0.00 55.06 54.07 2asy s HIS 8 Cb -0.15 0.19 0.02 0.00 -1.43 0.00 0.00 32.58 31.21 2asy s HIS 8 CO -0.23 -0.68 0.58 -0.59 -2.00 0.00 0.00 174.74 171.83 2asy s PHE 9 N -3.82 0.66 0.58 0.38 -0.71 -1.18 0.16 117.98 114.04 2asy s PHE 9 Ca 0.04 -1.05 -0.16 0.00 -1.04 0.00 0.00 56.93 54.72 2asy s PHE 9 Cb 0.02 0.26 -0.04 0.00 -1.21 0.00 0.00 43.02 42.05 2asy s PHE 9 CO -0.11 -1.26 1.05 0.00 -1.34 0.00 0.00 175.22 173.55 2asy s ALA 10 N -2.95 2.80 0.84 1.99 0.00 -1.26 -0.17 121.76 123.00 2asy s ALA 10 Ca 0.24 0.37 -0.11 0.00 0.00 0.00 0.00 51.96 52.46 2asy s ALA 10 Cb -0.02 -3.21 0.09 0.00 0.00 0.00 0.00 23.12 19.98 2asy s ALA 10 CO 0.16 -0.71 1.09 0.12 0.00 0.00 0.00 175.76 176.43 2asy s PHE 11 N -2.47 2.54 -0.96 0.00 5.36 0.28 -3.82 117.98 118.92 2asy s PHE 11 Ca 0.63 1.29 -0.02 0.00 -0.96 0.00 0.00 56.93 57.87 2asy s PHE 11 Cb -0.15 -3.12 0.00 0.00 -0.34 0.00 0.00 43.02 39.42 2asy s PHE 11 CO 0.36 -2.07 0.25 -1.71 -1.46 0.00 0.00 175.22 170.59 2asy n ASN 12 N -3.66 -4.15 -0.06 6.13 5.15 -1.26 -4.92 115.26 112.48 2asy n ASN 12 Ca 0.07 -0.12 -0.04 0.00 -0.60 0.00 0.00 54.58 53.89 2asy n ASN 12 Cb 0.55 -3.13 -0.01 0.00 -0.53 0.00 0.00 39.78 36.66 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 -1.15 -0.81 0.00 8.20 0.00 -1.25 -4.42 105.19 105.76 2asy n GLY 13 Ca -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.08 2.23 0.06 1.61 -0.04 -1.26 -3.88 135.00 129.64 2asy n PRO 14 Ca -0.06 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.21 2asy n PRO 14 Cb 0.24 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.55 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 0.00 0.52 0.00 0.54 0.04 -1.98 -3.49 116.94 112.57 2asy h PHE 15 Ca 0.00 -0.38 0.00 0.00 2.80 0.00 0.00 57.97 60.39 2asy h PHE 15 Cb 0.00 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.13 2asy h PHE 15 CO 0.00 1.47 0.00 0.41 -0.60 0.00 0.00 178.31 179.59 2asy n GLY 16 N 1.73 2.51 0.19 -1.45 0.00 -1.26 -4.76 105.19 102.15 2asy n GLY 16 Ca -0.19 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.79 1.61 3.32 -1.98 -1.90 116.42 116.67 2asy h ASP 17 Ca 0.00 0.00 0.23 0.00 0.02 0.00 0.00 57.03 57.28 2asy h ASP 17 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2asy h ASP 17 CO 0.00 0.00 0.57 0.00 -1.72 0.00 0.00 179.24 178.09 2asy h ALA 18 N 2.06 2.71 0.00 3.45 0.00 -1.93 0.48 119.26 126.03 2asy h ALA 18 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2asy h ALA 18 Cb 0.11 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2asy h ALA 18 CO 0.00 -0.94 -0.63 -1.33 0.00 0.00 0.00 179.25 176.35 2asy n MET 19 N -4.31 0.44 -0.31 0.00 2.81 -0.72 -1.13 117.12 113.90 2asy n MET 19 Ca 0.16 0.38 0.10 0.00 -1.81 0.00 0.00 57.70 56.54 2asy n MET 19 Cb 0.84 -1.51 0.32 0.00 -0.71 0.00 0.00 33.22 32.17 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 -1.10 1.70 0.00 3.04 0.00 -1.59 -3.20 119.26 118.12 2asy h ALA 20 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2asy h ALA 20 Cb 0.63 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2asy h ALA 20 CO 0.00 0.04 -0.51 -1.91 0.00 0.00 0.00 179.25 176.87 2asy n GLU 21 N -4.60 0.00 0.00 0.00 4.07 -0.02 -4.82 120.64 115.27 2asy n GLU 21 Ca 0.19 0.00 0.14 0.00 -0.06 0.00 0.00 57.16 57.43 2asy n GLU 21 Cb 0.44 -0.50 0.75 0.00 -0.06 0.00 0.00 31.44 32.07 2asy n GLU 21 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2asy n GLN 22 N -2.39 0.49 0.10 5.31 1.13 0.15 -2.16 117.38 120.02 2asy n GLN 22 Ca 0.00 0.01 -0.02 0.00 -1.94 0.00 0.00 57.00 55.05 2asy n GLN 22 Cb 0.25 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.07 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 0.00 0.16 1.08 6.46 -1.11 -1.96 115.31 119.94 2asy h LEU 23 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2asy h LEU 23 Cb 0.23 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.16 2asy h LEU 23 CO 0.00 0.73 -0.08 0.50 -0.62 0.00 0.00 178.44 178.98 2asy h LYS 24 N 0.00 -0.21 0.01 1.25 3.64 -1.67 -1.35 116.57 118.25 2asy h LYS 24 Ca -0.01 0.01 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 2asy h LYS 24 Cb 1.55 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 33.36 2asy h LYS 24 CO 0.10 -0.11 -1.95 -0.35 -2.27 0.00 0.00 179.45 174.86 2asy n PRO 25 N -5.17 0.66 -0.19 1.90 -0.04 -1.25 -4.49 135.00 126.41 2asy n PRO 25 Ca -0.09 0.20 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 2asy n PRO 25 Cb 0.12 -1.70 0.23 0.00 -0.04 0.00 0.00 33.50 32.11 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 -2.99 3.34 -0.34 1.53 4.77 -0.73 -4.55 117.00 118.02 2asy n LEU 26 Ca -0.23 -1.45 0.02 0.00 -0.03 0.00 0.00 56.01 54.32 2asy n LEU 26 Cb 1.08 -0.25 0.09 0.00 -2.33 0.00 0.00 43.42 42.01 2asy n LEU 26 CO 0.44 0.72 0.64 0.00 -1.33 0.00 0.00 177.39 177.86 2asy h ALA 27 N 4.47 0.42 -0.07 -1.18 0.00 -1.36 0.43 119.26 121.96 2asy h ALA 27 Ca 0.00 0.32 0.02 0.00 0.00 0.00 0.00 54.91 55.25 2asy h ALA 27 Cb 0.95 0.81 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 2asy h ALA 27 CO 0.00 -0.49 0.07 1.05 0.00 0.00 0.00 179.25 179.88 2asy h GLU 28 N -0.01 0.00 0.00 0.00 4.11 -1.86 0.18 114.58 117.00 2asy h GLU 28 Ca 0.40 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.55 2asy h GLU 28 Cb 0.65 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 2asy h GLU 28 CO -0.95 0.00 -1.63 0.43 0.07 0.00 0.00 179.01 176.93 2asy n SER 29 N -4.06 1.90 0.02 3.06 7.64 0.11 -3.60 113.62 118.69 2asy n SER 29 Ca -0.01 0.41 -0.11 0.00 1.01 0.00 0.00 58.87 60.17 2asy n SER 29 Cb 0.17 -0.89 -0.08 0.00 -1.01 0.00 0.00 64.21 62.40 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 0.97 0.11 0.44 -0.00 -0.25 -3.36 117.51 114.42 2asy h ILE 30 Ca -0.42 -1.31 -0.33 0.00 -0.00 0.00 0.00 64.86 62.80 2asy h ILE 30 Cb 1.31 1.68 -0.02 0.00 -0.00 0.00 0.00 36.82 39.79 2asy h ILE 30 CO -0.25 0.27 -1.74 -1.13 -0.00 0.00 0.00 178.15 175.29 2asy h ASN 31 N -0.86 0.36 0.00 2.16 -1.24 -1.25 -3.47 115.58 111.28 2asy h ASN 31 Ca -0.02 -0.64 0.00 0.00 0.71 0.00 0.00 56.30 56.36 2asy h ASN 31 Cb 0.56 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.49 2asy h ASN 31 CO 0.03 1.55 0.00 1.67 -1.29 0.00 0.00 177.43 179.39 2asy n GLN 32 N -3.41 0.00 -2.30 6.67 -0.06 -0.13 -4.43 117.38 113.72 2asy n GLN 32 Ca -0.23 0.00 -0.31 0.00 -2.00 0.00 0.00 57.00 54.46 2asy n GLN 32 Cb 1.05 -2.84 -0.02 0.00 -4.06 0.00 0.00 30.24 24.37 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 -0.07 3.80 -0.05 3.69 1.03 -1.26 -4.97 118.70 120.87 2asy s GLU 33 Ca 0.00 0.79 -0.16 0.00 0.03 0.00 0.00 54.97 55.64 2asy s GLU 33 Cb 0.00 -2.16 -0.10 0.00 -0.80 0.00 0.00 34.13 31.07 2asy s GLU 33 CO 0.00 -0.33 0.64 -1.00 -1.33 0.00 0.00 175.26 173.24 2asy h PRO 34 N 0.53 -0.39 0.00 -4.83 0.13 -1.99 -3.47 132.00 121.98 2asy h PRO 34 Ca -0.46 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2asy h PRO 34 Cb 1.19 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2asy h PRO 34 CO 0.62 -0.16 0.00 0.41 -0.23 0.00 0.00 178.00 178.64 2asy n GLY 35 N 0.57 1.86 5.00 1.56 0.00 -1.26 -4.82 105.19 108.10 2asy n GLY 35 Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.05 1.61 3.01 -1.26 -1.10 117.46 119.66 2asy n PHE 36 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.45 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 -8.27 4.37 -0.00 -1.88 -3.49 115.31 106.03 2asy h LEU 37 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.74 2asy h LEU 37 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.61 2asy h LEU 37 CO 0.00 0.53 0.02 -1.66 -0.00 0.00 0.00 178.44 177.33 2asy s TRP 38 N -1.67 0.58 0.48 1.13 1.48 -1.20 -5.03 118.94 114.70 2asy s TRP 38 Ca -0.03 -1.01 0.02 0.00 -1.06 0.00 0.00 56.10 54.01 2asy s TRP 38 Cb 0.00 0.34 0.02 0.00 -1.16 0.00 0.00 33.47 32.67 2asy s TRP 38 CO 0.05 -1.31 0.15 1.63 -4.06 0.00 0.00 176.95 173.41 2asy n LYS 39 N -0.53 0.83 -3.15 3.25 4.76 -1.26 -4.58 118.16 117.47 2asy n LYS 39 Ca -0.03 -3.27 -0.40 0.00 -2.87 0.00 0.00 58.31 51.73 2asy n LYS 39 Cb 0.61 0.67 -0.07 0.00 -1.84 0.00 0.00 35.03 34.40 2asy n LYS 39 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2asy s VAL 40 N -2.59 5.01 -0.65 -0.18 0.11 -1.26 -4.84 120.40 116.00 2asy s VAL 40 Ca 0.11 1.02 0.06 0.00 -2.93 0.00 0.00 61.98 60.24 2asy s VAL 40 Cb -0.01 -3.90 0.25 0.00 -1.53 0.00 0.00 36.38 31.19 2asy s VAL 40 CO 0.07 0.03 0.75 -2.67 -3.33 0.00 0.00 175.10 169.96 2asy n TRP 41 N 5.67 3.65 -3.87 1.54 4.27 -1.26 -4.97 117.44 122.46 2asy n TRP 41 Ca -0.02 -4.14 -0.12 0.00 -3.89 0.00 0.00 57.50 49.33 2asy n TRP 41 Cb 0.49 -0.57 -0.14 0.00 -1.36 0.00 0.00 31.31 29.73 2asy n TRP 41 CO 0.00 0.00 0.00 0.99 -2.29 0.00 0.00 177.69 176.39 2asy s THR 42 N -2.48 -0.00 -0.30 -1.67 2.01 -1.26 -4.96 115.64 106.99 2asy s THR 42 Ca 0.40 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.38 2asy s THR 42 Cb 0.15 -0.02 0.18 0.00 0.01 0.00 0.00 72.50 72.82 2asy s THR 42 CO -0.01 0.00 0.59 -0.70 -0.69 0.00 0.00 174.62 173.81 2asy s GLU 43 N 0.01 0.55 -0.39 4.92 2.12 -1.26 -3.37 118.70 121.28 2asy s GLU 43 Ca -0.00 1.00 0.02 0.00 0.36 0.00 0.00 54.97 56.35 2asy s GLU 43 Cb -0.00 0.50 0.11 0.00 0.26 0.00 0.00 34.13 35.01 2asy s GLU 43 CO 0.00 -0.60 0.15 0.45 -0.54 0.00 0.00 175.26 174.72 2asy s SER 44 N 2.84 4.20 0.26 -1.70 0.15 0.53 -4.93 113.70 115.05 2asy s SER 44 Ca 0.19 -2.29 0.03 0.00 0.70 0.00 0.00 55.95 54.58 2asy s SER 44 Cb -0.15 -1.27 0.33 0.00 -1.71 0.00 0.00 66.02 63.22 2asy s SER 44 CO -0.21 -0.33 1.64 1.05 1.20 0.00 0.00 173.24 176.59 2asy h GLU 45 N 7.32 0.38 -0.57 5.44 9.09 -1.95 0.12 114.58 134.41 2asy h GLU 45 Ca -0.07 -0.19 -0.03 0.00 0.05 0.00 0.00 59.36 59.12 2asy h GLU 45 Cb 0.97 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.05 2asy h GLU 45 CO 0.53 0.75 0.23 1.57 0.05 0.00 0.00 179.01 182.13 2asy h LYS 46 N 0.31 0.85 0.00 1.06 -0.00 -1.93 -2.77 116.57 114.10 2asy h LYS 46 Ca 0.02 -0.15 0.00 0.00 -0.00 0.00 0.00 60.65 60.52 2asy h LYS 46 Cb 0.89 -0.14 0.00 0.00 -0.00 0.00 0.00 32.23 32.98 2asy h LYS 46 CO 0.07 0.73 -0.58 -1.71 -0.00 0.00 0.00 179.45 177.97 2asy n ASN 47 N -4.49 0.65 -1.99 7.07 2.85 -1.17 -4.94 115.26 113.24 2asy n ASN 47 Ca 0.03 0.09 -0.12 0.00 -0.11 0.00 0.00 54.58 54.47 2asy n ASN 47 Cb 0.16 0.14 0.04 0.00 1.24 0.00 0.00 39.78 41.35 2asy n ASN 47 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 2asy n HIS 48 N -2.00 -1.39 -4.52 1.20 8.25 0.19 -4.99 115.22 111.96 2asy n HIS 48 Ca 0.04 0.48 -0.21 0.00 -0.26 0.00 0.00 57.72 57.77 2asy n HIS 48 Cb 0.42 -2.98 -0.15 0.00 1.12 0.00 0.00 29.99 28.40 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 -5.60 1.06 -0.29 -0.41 2.12 0.14 -0.56 118.70 115.16 2asy s GLU 49 Ca 0.28 -0.41 -0.02 0.00 0.36 0.00 0.00 54.97 55.18 2asy s GLU 49 Cb -0.12 -0.99 0.10 0.00 0.26 0.00 0.00 34.13 33.37 2asy s GLU 49 CO 0.34 0.21 0.10 0.00 -0.54 0.00 0.00 175.26 175.38 2asy s ALA 50 N -0.10 1.14 0.00 6.30 0.00 0.75 -0.35 121.76 129.51 2asy s ALA 50 Ca 0.01 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.63 2asy s ALA 50 Cb -0.07 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.57 2asy s ALA 50 CO 0.00 -1.60 0.00 0.41 0.00 0.00 0.00 175.76 174.57 2asy n GLY 51 N 5.02 3.33 0.00 0.00 0.00 -1.22 -3.08 105.19 109.24 2asy n GLY 51 Ca -0.04 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.56 5.16 2.77 -0.02 0.00 -0.48 -4.70 105.19 106.37 2asy n GLY 52 Ca 0.00 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.78 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 0.89 0.65 0.28 -0.61 1.01 -1.26 -0.39 121.20 121.77 2asy s ILE 53 Ca 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.13 2asy s ILE 53 Cb 0.00 -1.06 -0.06 0.00 0.01 0.00 0.00 42.46 41.35 2asy s ILE 53 CO 0.00 -0.11 0.07 -0.72 0.00 0.00 0.00 174.94 174.19 2asy s TYR 54 N 1.81 1.67 -0.03 3.97 1.13 -0.20 -4.88 117.35 120.83 2asy s TYR 54 Ca -0.00 -1.09 -0.29 0.00 -1.41 0.00 0.00 57.07 54.28 2asy s TYR 54 Cb -0.16 -1.02 -0.03 0.00 -1.10 0.00 0.00 41.96 39.65 2asy s TYR 54 CO -0.07 -0.20 0.94 -0.51 -2.51 0.00 0.00 175.55 173.19 2asy s LEU 55 N -3.37 4.33 0.12 -3.49 1.02 -1.26 -0.42 118.68 115.63 2asy s LEU 55 Ca 0.36 1.55 0.08 0.00 0.02 0.00 0.00 54.13 56.15 2asy s LEU 55 Cb 0.08 -3.48 -0.04 0.00 0.02 0.00 0.00 46.19 42.76 2asy s LEU 55 CO 0.14 -0.28 -0.12 0.12 0.02 0.00 0.00 176.35 176.23 2asy s PHE 56 N 1.20 2.65 0.53 0.29 5.36 0.17 -3.24 117.98 124.93 2asy s PHE 56 Ca 0.49 -0.20 0.43 0.00 -0.96 0.00 0.00 56.93 56.68 2asy s PHE 56 Cb -0.20 -1.37 1.62 0.00 -0.34 0.00 0.00 43.02 42.73 2asy s PHE 56 CO 0.24 0.43 1.64 0.00 -1.46 0.00 0.00 175.22 176.08 2asy h THR 57 N 3.24 0.13 -1.80 0.12 1.03 -1.40 -1.97 112.91 112.27 2asy h THR 57 Ca -0.49 -0.01 0.34 0.00 -0.01 0.00 0.00 66.41 66.25 2asy h THR 57 Cb 1.17 0.11 -0.09 0.00 -1.07 0.00 0.00 68.15 68.27 2asy h THR 57 CO 0.50 0.00 0.88 1.51 -0.01 0.00 0.00 175.52 178.41 2asy s ASP 58 N -4.33 -0.02 -0.17 0.00 1.47 -1.26 -0.35 116.67 112.01 2asy s ASP 58 Ca -0.06 -0.16 -0.03 0.00 1.18 0.00 0.00 52.55 53.48 2asy s ASP 58 Cb 0.27 0.14 -0.23 0.00 -0.34 0.00 0.00 42.92 42.76 2asy s ASP 58 CO 0.86 -0.27 0.17 -1.84 0.68 0.00 0.00 175.17 174.77 2asy n GLU 59 N -0.73 0.72 -0.28 2.11 -0.00 -1.26 -3.35 120.64 117.86 2asy n GLU 59 Ca -0.02 0.22 -0.01 0.00 -0.00 0.00 0.00 57.16 57.35 2asy n GLU 59 Cb 0.61 -1.65 0.11 0.00 -0.00 0.00 0.00 31.44 30.51 2asy n GLU 59 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 2asy h LYS 60 N 0.05 0.88 0.00 3.44 2.10 -2.00 -2.14 116.57 118.89 2asy h LYS 60 Ca -0.48 -0.05 -0.09 0.00 -2.00 0.00 0.00 60.65 58.04 2asy h LYS 60 Cb 1.99 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 33.11 2asy h LYS 60 CO 0.03 0.58 -0.69 0.77 -2.00 0.00 0.00 179.45 178.13 2asy h SER 61 N 0.90 0.00 0.13 7.07 0.02 -1.99 -3.35 113.55 116.33 2asy h SER 61 Ca 0.32 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.28 2asy h SER 61 Cb 0.09 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 2asy h SER 61 CO -0.14 0.35 -0.15 0.00 -1.14 0.00 0.00 176.83 175.75 2asy h ALA 62 N 1.65 -0.29 0.00 3.77 0.00 -1.39 0.14 119.26 123.13 2asy h ALA 62 Ca -0.04 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2asy h ALA 62 Cb 1.31 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 2asy h ALA 62 CO 0.04 -0.69 -0.31 1.37 0.00 0.00 0.00 179.25 179.66 2asy h LEU 63 N -0.33 0.00 -0.48 0.00 -0.00 -1.69 -2.26 115.31 110.56 2asy h LEU 63 Ca 0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.72 2asy h LEU 63 Cb 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.97 2asy h LEU 63 CO -0.06 0.31 -0.68 0.00 -0.00 0.00 0.00 178.44 178.01 2asy h ALA 64 N 1.69 0.67 0.00 0.17 0.00 -1.57 -3.19 119.26 117.03 2asy h ALA 64 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2asy h ALA 64 Cb 0.74 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2asy h ALA 64 CO 0.04 0.75 0.00 0.66 0.00 0.00 0.00 179.25 180.70 2asy n TYR 65 N -3.85 0.58 -0.08 0.00 4.02 0.43 -3.09 117.16 115.18 2asy n TYR 65 Ca -0.04 0.19 0.13 0.00 -0.01 0.00 0.00 57.90 58.18 2asy n TYR 65 Cb 0.68 -0.81 0.53 0.00 -0.02 0.00 0.00 39.34 39.71 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 0.32 -1.31 7.72 8.10 -1.51 0.33 115.31 128.95 2asy h LEU 66 Ca 0.00 0.01 0.15 0.00 0.11 0.00 0.00 57.88 58.14 2asy h LEU 66 Cb 0.51 -0.06 -0.07 0.00 -0.44 0.00 0.00 40.66 40.60 2asy h LEU 66 CO 0.00 0.19 0.57 -0.08 -4.11 0.00 0.00 178.44 175.01 2asy h GLU 67 N 0.35 0.65 -0.19 0.17 4.22 -1.77 0.19 114.58 118.20 2asy h GLU 67 Ca 0.28 -0.04 -0.07 0.00 0.08 0.00 0.00 59.36 59.61 2asy h GLU 67 Cb 0.64 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 2asy h GLU 67 CO -0.07 0.43 -0.15 -0.22 -2.18 0.00 0.00 179.01 176.81 2asy h LYS 68 N 0.67 0.44 -0.05 1.92 1.63 -1.14 0.40 116.57 120.43 2asy h LYS 68 Ca 0.44 -0.22 -0.10 0.00 -0.85 0.00 0.00 60.65 59.93 2asy h LYS 68 Cb 0.74 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.38 2asy h LYS 68 CO -0.20 0.77 -0.34 0.45 -3.45 0.00 0.00 179.45 176.68 2asy h HIS 69 N 0.11 0.45 -0.57 1.91 3.86 -1.32 -3.00 115.15 116.57 2asy h HIS 69 Ca 0.03 -0.20 0.07 0.00 -1.16 0.00 0.00 60.37 59.11 2asy h HIS 69 Cb 0.68 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 29.05 2asy h HIS 69 CO 0.08 0.96 0.38 1.15 0.86 0.00 0.00 177.93 181.35 2asy h THR 70 N -0.19 0.97 -0.13 2.45 2.02 -0.67 -2.21 112.91 115.14 2asy h THR 70 Ca -0.03 -0.17 0.04 0.00 0.77 0.00 0.00 66.41 67.02 2asy h THR 70 Cb 1.01 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 2asy h THR 70 CO 0.07 0.09 0.25 0.00 0.37 0.00 0.00 175.52 176.30 2asy h ALA 71 N 1.69 1.58 0.00 6.16 0.00 -0.76 0.62 119.26 128.55 2asy h ALA 71 Ca 0.25 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 2asy h ALA 71 Cb 0.34 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2asy h ALA 71 CO -0.07 -0.32 -0.69 0.00 0.00 0.00 0.00 179.25 178.17 2asy h ARG 72 N 0.00 0.00 0.00 0.00 -0.00 -1.53 -3.33 114.38 109.52 2asy h ARG 72 Ca 0.06 0.00 -0.17 0.00 -0.50 0.00 0.00 59.98 59.38 2asy h ARG 72 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.50 2asy h ARG 72 CO -0.00 0.86 -0.80 1.37 0.00 0.00 0.00 179.97 181.40 2asy h LEU 73 N -1.00 0.00 -1.53 3.04 8.10 -1.16 0.38 115.31 123.14 2asy h LEU 73 Ca -0.18 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.76 2asy h LEU 73 Cb 1.06 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.27 2asy h LEU 73 CO -0.11 0.80 -0.24 0.07 -4.11 0.00 0.00 178.44 174.85 2asy h LYS 74 N 0.00 0.00 0.05 0.17 2.10 -0.02 0.29 116.57 119.15 2asy h LYS 74 Ca -0.01 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2asy h LYS 74 Cb 1.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.92 2asy h LYS 74 CO 0.10 0.24 -0.02 -0.97 -2.00 0.00 0.00 179.45 176.80 2asy h ASN 75 N 0.00 -0.05 0.00 7.07 -1.24 -1.58 -3.43 115.58 116.35 2asy h ASN 75 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2asy h ASN 75 Cb 0.50 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.57 2asy h ASN 75 CO 0.03 0.32 0.00 0.00 -1.29 0.00 0.00 177.43 176.49 2asy n LEU 76 N -4.15 0.46 0.00 0.34 -0.00 0.09 -5.03 117.00 108.71 2asy n LEU 76 Ca -0.01 -0.73 0.00 0.00 -0.00 0.00 0.00 56.01 55.28 2asy n LEU 76 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.44 2asy n LEU 76 CO 0.02 0.12 0.00 0.61 -0.00 0.00 0.00 177.39 178.13 2asy n GLY 77 N 0.53 0.55 0.00 1.47 0.00 0.99 -4.84 105.19 103.89 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 -1.11 -4.71 118.33 117.26 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 -0.11 0.00 0.00 -1.06 0.00 0.00 33.84 32.67 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 -0.14 0.00 -3.46 1.45 1.02 -1.26 -4.91 120.64 113.33 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 -0.20 1.18 0.13 3.49 0.41 -1.26 -4.54 118.70 117.91 2asy s GLU 80 Ca 0.00 -0.18 -0.30 0.00 -0.41 0.00 0.00 54.97 54.08 2asy s GLU 80 Cb 0.00 0.55 -0.06 0.00 -1.78 0.00 0.00 34.13 32.84 2asy s GLU 80 CO 0.00 -0.46 0.95 0.08 -0.49 0.00 0.00 175.26 175.33 2asy s VAL 81 N -2.72 4.45 -0.53 2.63 1.01 -1.26 -4.67 120.40 119.31 2asy s VAL 81 Ca -0.04 2.05 -0.20 0.00 0.00 0.00 0.00 61.98 63.80 2asy s VAL 81 Cb -0.01 -4.31 0.06 0.00 0.00 0.00 0.00 36.38 32.12 2asy s VAL 81 CO -0.04 0.35 0.68 -0.69 0.00 0.00 0.00 175.10 175.40 2asy s VAL 82 N -0.19 4.80 -0.24 2.92 1.01 0.12 -4.94 120.40 123.88 2asy s VAL 82 Ca 0.46 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 2asy s VAL 82 Cb -0.24 -4.36 0.07 0.00 0.00 0.00 0.00 36.38 31.85 2asy s VAL 82 CO 0.30 -0.90 0.03 0.00 0.00 0.00 0.00 175.10 174.53 2asy s ALA 83 N 2.82 1.39 0.01 5.51 0.00 -1.25 -1.46 121.76 128.79 2asy s ALA 83 Ca 0.16 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 51.01 2asy s ALA 83 Cb -0.19 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 2asy s ALA 83 CO 0.12 -1.32 -0.10 0.15 0.00 0.00 0.00 175.76 174.61 2asy s LYS 84 N 1.67 0.71 -0.34 0.00 1.02 -1.02 -4.85 119.74 116.94 2asy s LYS 84 Ca 0.01 -0.46 -0.08 0.00 0.02 0.00 0.00 55.97 55.46 2asy s LYS 84 Cb -0.18 -0.67 0.03 0.00 -0.52 0.00 0.00 37.83 36.49 2asy s LYS 84 CO -0.12 0.17 0.12 0.08 -0.92 0.00 0.00 175.35 174.68 2asy s VAL 85 N -0.50 4.01 0.61 3.17 1.01 -1.26 -0.80 120.40 126.64 2asy s VAL 85 Ca 0.01 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 2asy s VAL 85 Cb -0.05 -3.21 0.05 0.00 0.00 0.00 0.00 36.38 33.17 2asy s VAL 85 CO 0.00 -0.13 0.86 0.72 0.00 0.00 0.00 175.10 176.55 2asy s PHE 86 N 1.46 2.66 -0.07 5.22 -0.71 -1.26 -5.05 117.98 120.23 2asy s PHE 86 Ca 0.00 0.04 0.01 0.00 -1.04 0.00 0.00 56.93 55.94 2asy s PHE 86 Cb -0.19 -2.89 0.02 0.00 -1.21 0.00 0.00 43.02 38.75 2asy s PHE 86 CO 0.04 -1.12 -0.08 0.34 -1.34 0.00 0.00 175.22 173.06 2asy s ASP 87 N -4.50 1.62 0.27 1.98 2.15 -1.26 -4.85 116.67 112.08 2asy s ASP 87 Ca 0.59 -0.23 -0.29 0.00 0.43 0.00 0.00 52.55 53.05 2asy s ASP 87 Cb -0.10 -0.68 -0.09 0.00 -0.30 0.00 0.00 42.92 41.75 2asy s ASP 87 CO 0.41 -0.05 1.14 0.68 -0.17 0.00 0.00 175.17 177.18 2asy s VAL 88 N 1.13 3.41 -0.37 1.11 -7.23 -1.26 -5.00 120.40 112.20 2asy s VAL 88 Ca -0.07 1.37 0.03 0.00 -1.81 0.00 0.00 61.98 61.51 2asy s VAL 88 Cb -0.14 -3.87 0.11 0.00 0.56 0.00 0.00 36.38 33.03 2asy s VAL 88 CO -0.01 0.30 0.10 0.21 -0.31 0.00 0.00 175.10 175.39 2asy s ASN 89 N -0.62 4.58 0.32 4.85 2.47 -1.26 -5.02 114.94 120.26 2asy s ASN 89 Ca 0.47 -2.27 0.26 0.00 0.42 0.00 0.00 52.86 51.74 2asy s ASN 89 Cb -0.33 -1.53 0.97 0.00 -1.45 0.00 0.00 41.25 38.91 2asy s ASN 89 CO 0.42 -0.35 1.77 1.05 -3.72 0.00 0.00 177.10 176.26 2asy h GLU 90 N 7.44 0.00 -0.75 0.43 4.11 -2.02 -3.27 114.58 120.52 2asy h GLU 90 Ca -0.06 0.00 0.21 0.00 0.07 0.00 0.00 59.36 59.59 2asy h GLU 90 Cb 0.99 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 2asy h GLU 90 CO 0.54 0.00 0.54 -1.00 0.07 0.00 0.00 179.01 179.16 2asy h PRO 91 N 0.00 0.03 -0.01 1.06 0.13 -2.05 0.25 132.00 131.42 2asy h PRO 91 Ca 0.00 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2asy h PRO 91 Cb 0.53 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.65 2asy h PRO 91 CO 0.00 0.02 -0.15 1.28 -0.23 0.00 0.00 178.00 178.92 2asy n LEU 92 N -4.33 0.90 0.15 1.56 7.99 -1.23 -3.42 117.00 118.62 2asy n LEU 92 Ca 0.15 -0.21 0.13 0.00 -0.01 0.00 0.00 56.01 56.07 2asy n LEU 92 Cb 0.80 -0.11 0.46 0.00 -0.11 0.00 0.00 43.42 44.46 2asy n LEU 92 CO 0.38 0.16 0.88 -1.28 -1.51 0.00 0.00 177.39 176.02 2asy h SER 93 N 1.18 0.00 0.38 -1.43 0.87 -1.15 -2.60 113.55 110.80 2asy h SER 93 Ca 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 2asy h SER 93 Cb 0.44 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 2asy h SER 93 CO 0.00 0.00 -0.23 -0.61 -0.53 0.00 0.00 176.83 175.46 2asy h GLN 94 N 0.00 0.00 0.00 2.24 4.15 -1.69 -1.79 115.11 118.02 2asy h GLN 94 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2asy h GLN 94 Cb 0.57 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.26 2asy h GLN 94 CO 0.00 0.23 -0.90 -0.89 -1.93 0.00 0.00 178.83 175.34 2asy n ILE 95 N -3.91 0.20 -1.52 2.39 -0.00 -0.98 -4.04 119.36 111.51 2asy n ILE 95 Ca -0.02 -0.23 0.07 0.00 -0.00 0.00 0.00 62.75 62.57 2asy n ILE 95 Cb 0.32 0.14 0.18 0.00 -0.00 0.00 0.00 39.64 40.27 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 -1.97 1.81 -0.38 4.38 0.23 -0.72 -4.77 115.26 113.84 2asy n ASN 96 Ca 0.02 -3.56 0.00 0.00 -0.53 0.00 0.00 54.58 50.51 2asy n ASN 96 Cb 0.43 -0.49 0.00 0.00 -2.08 0.00 0.00 39.78 37.64 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 -1.10 0.55 0.01 -3.83 6.02 -0.93 -4.03 117.38 114.07 2asy n GLN 97 Ca 0.17 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 57.16 2asy n GLN 97 Cb 0.70 -1.21 -0.00 0.00 1.02 0.00 0.00 30.24 30.75 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 1.68 -0.30 0.00 -1.58 0.00 -1.86 -3.31 119.26 113.88 2asy h ALA 98 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2asy h ALA 98 Cb 0.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2asy h ALA 98 CO 0.00 -0.30 -0.40 1.63 0.00 0.00 0.00 179.25 180.18 2asy n LYS 99 N -2.27 0.21 0.00 0.00 4.76 -1.26 -3.27 118.16 116.34 2asy n LYS 99 Ca -0.00 0.10 0.15 0.00 -2.87 0.00 0.00 58.31 55.68 2asy n LYS 99 Cb 0.01 -1.67 0.79 0.00 -1.84 0.00 0.00 35.03 32.33 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 -1.99 0.29 0.00 -0.35 7.99 -1.26 -5.26 117.00 116.41 2asy n LEU 100 Ca 0.05 -0.01 0.00 0.00 -0.01 0.00 0.00 56.01 56.03 2asy n LEU 100 Cb 0.41 -0.09 0.00 0.00 -0.11 0.00 0.00 43.42 43.63 2asy n LEU 100 CO 0.34 0.05 0.05 0.00 -1.51 0.00 0.00 177.39 176.32