#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 -2.72 -2.84 3.04 0.00 -1.22 -4.98 120.51 111.78 2asy n ALA 2 Ca 0.00 0.56 -0.37 0.00 0.00 0.00 0.00 53.44 53.63 2asy n ALA 2 Cb 0.00 -2.47 -0.07 0.00 0.00 0.00 0.00 19.45 16.91 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 -2.74 5.26 -0.22 0.00 2.01 0.57 -4.92 115.64 115.60 2asy s THR 3 Ca 0.12 0.11 -0.14 0.00 0.31 0.00 0.00 61.69 62.09 2asy s THR 3 Cb -0.03 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 2asy s THR 3 CO 0.70 0.62 0.33 -0.22 -0.69 0.00 0.00 174.62 175.36 2asy s LEU 4 N -0.98 4.13 0.07 4.42 2.96 -1.26 0.28 118.68 128.29 2asy s LEU 4 Ca 0.15 0.38 0.05 0.00 -0.22 0.00 0.00 54.13 54.48 2asy s LEU 4 Cb -0.12 -2.39 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 2asy s LEU 4 CO 0.04 -0.05 -0.13 -0.22 -1.32 0.00 0.00 176.35 174.66 2asy s LEU 5 N 1.33 2.28 -0.20 -0.68 0.20 0.14 -4.09 118.68 117.66 2asy s LEU 5 Ca 0.15 -0.62 -0.22 0.00 0.69 0.00 0.00 54.13 54.14 2asy s LEU 5 Cb -0.15 -0.45 -0.02 0.00 -0.43 0.00 0.00 46.19 45.14 2asy s LEU 5 CO 0.07 -0.10 0.68 -1.10 -0.29 0.00 0.00 176.35 175.61 2asy s GLN 6 N -1.76 4.22 -0.28 1.98 -0.21 0.13 -0.30 119.66 123.44 2asy s GLN 6 Ca -0.03 0.71 0.01 0.00 0.02 0.00 0.00 55.36 56.06 2asy s GLN 6 Cb -0.10 -3.58 0.15 0.00 1.00 0.00 0.00 33.01 30.48 2asy s GLN 6 CO 0.02 -0.28 0.39 -1.17 -2.12 0.00 0.00 175.29 172.13 2asy s LEU 7 N 2.03 -0.68 -0.12 2.90 0.20 0.99 -0.80 118.68 123.20 2asy s LEU 7 Ca 0.31 -0.29 -0.13 0.00 0.69 0.00 0.00 54.13 54.71 2asy s LEU 7 Cb -0.16 1.04 0.03 0.00 -0.43 0.00 0.00 46.19 46.67 2asy s LEU 7 CO 0.10 -0.35 0.36 -1.38 -0.29 0.00 0.00 176.35 174.80 2asy s HIS 8 N 2.52 -0.37 0.20 5.38 -3.43 -0.42 -1.89 115.29 117.29 2asy s HIS 8 Ca 0.10 0.88 0.04 0.00 -0.80 0.00 0.00 55.06 55.28 2asy s HIS 8 Cb -0.13 0.13 -0.05 0.00 -1.43 0.00 0.00 32.58 31.10 2asy s HIS 8 CO -0.27 -0.23 -0.05 -0.59 -2.00 0.00 0.00 174.74 171.59 2asy s PHE 9 N -0.06 1.50 0.65 0.38 -0.71 -1.24 0.08 117.98 118.57 2asy s PHE 9 Ca -0.02 -0.82 -0.15 0.00 -1.04 0.00 0.00 56.93 54.90 2asy s PHE 9 Cb -0.03 -0.82 -0.00 0.00 -1.21 0.00 0.00 43.02 40.96 2asy s PHE 9 CO 0.01 0.06 1.11 0.00 -1.34 0.00 0.00 175.22 175.07 2asy s ALA 10 N -3.32 2.49 0.71 1.99 0.00 -1.26 -0.92 121.76 121.45 2asy s ALA 10 Ca 0.24 0.57 -0.11 0.00 0.00 0.00 0.00 51.96 52.65 2asy s ALA 10 Cb 0.04 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.85 2asy s ALA 10 CO 0.06 -1.24 1.08 0.12 0.00 0.00 0.00 175.76 175.78 2asy s PHE 11 N -2.29 3.22 -0.23 0.00 5.36 0.26 -3.60 117.98 120.69 2asy s PHE 11 Ca 0.67 1.17 0.00 0.00 -0.96 0.00 0.00 56.93 57.82 2asy s PHE 11 Cb -0.21 -2.99 0.00 0.00 -0.34 0.00 0.00 43.02 39.48 2asy s PHE 11 CO 0.40 -1.25 0.00 -1.71 -1.46 0.00 0.00 175.22 171.21 2asy n ASN 12 N -3.09 -3.69 0.00 6.13 2.85 -1.26 -4.79 115.26 111.41 2asy n ASN 12 Ca 0.07 0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 2asy n ASN 12 Cb 0.56 -1.38 0.00 0.00 1.24 0.00 0.00 39.78 40.20 2asy n ASN 12 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2asy n GLY 13 N -2.16 -0.39 3.96 8.20 0.00 -1.24 -4.46 105.19 109.11 2asy n GLY 13 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.85 2.11 0.37 1.61 0.04 -1.26 -3.95 135.00 133.07 2asy s PRO 14 Ca 0.00 -0.69 0.12 0.00 0.04 0.00 0.00 61.00 60.47 2asy s PRO 14 Cb 0.00 -2.32 0.91 0.00 0.04 0.00 0.00 34.50 33.14 2asy s PRO 14 CO 0.00 -1.15 1.85 0.74 0.04 0.00 0.00 177.00 178.47 2asy h PHE 15 N -0.38 0.75 0.00 0.56 0.04 -1.99 -3.46 116.94 112.46 2asy h PHE 15 Ca -0.41 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.38 2asy h PHE 15 Cb 1.29 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 39.21 2asy h PHE 15 CO 0.13 0.23 0.00 0.41 -0.60 0.00 0.00 178.31 178.48 2asy n GLY 16 N -1.45 3.79 0.33 -1.45 0.00 -1.26 -4.63 105.19 100.53 2asy n GLY 16 Ca 0.19 -0.91 0.16 0.00 0.00 0.00 0.00 46.02 45.46 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 1.12 0.00 -1.05 1.61 5.19 -1.93 -0.48 116.42 120.88 2asy h ASP 17 Ca 0.00 0.00 0.28 0.00 -0.62 0.00 0.00 57.03 56.69 2asy h ASP 17 Cb 0.00 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 39.40 2asy h ASP 17 CO 0.00 0.00 0.66 0.00 -3.12 0.00 0.00 179.24 176.78 2asy h ALA 18 N 1.81 2.13 0.01 3.45 0.00 -1.91 0.60 119.26 125.35 2asy h ALA 18 Ca 0.10 0.09 -0.40 0.00 0.00 0.00 0.00 54.91 54.70 2asy h ALA 18 Cb 0.48 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 2asy h ALA 18 CO -0.00 -0.59 -2.40 -1.33 0.00 0.00 0.00 179.25 174.93 2asy n MET 19 N -4.74 0.64 0.00 0.00 2.81 -0.26 -1.26 117.12 114.31 2asy n MET 19 Ca 0.27 0.20 0.08 0.00 -1.81 0.00 0.00 57.70 56.45 2asy n MET 19 Cb 0.89 -1.54 0.42 0.00 -0.71 0.00 0.00 33.22 32.28 2asy n MET 19 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2asy n ALA 20 N -3.47 1.90 0.10 3.04 0.00 -0.75 -3.99 120.51 117.34 2asy n ALA 20 Ca -0.46 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2asy n ALA 20 Cb 0.96 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 19.14 2asy n ALA 20 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2asy n GLU 21 N -1.31 0.00 0.00 0.00 2.13 0.66 -4.93 120.64 117.19 2asy n GLU 21 Ca 0.08 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.99 2asy n GLU 21 Cb 0.14 0.00 0.53 0.00 0.27 0.00 0.00 31.44 32.38 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 -2.88 0.45 0.07 5.31 1.13 0.18 -1.18 117.38 120.46 2asy n GLN 22 Ca 0.00 0.05 0.13 0.00 -1.94 0.00 0.00 57.00 55.24 2asy n GLN 22 Cb 0.00 -1.50 0.37 0.00 0.11 0.00 0.00 30.24 29.22 2asy n GLN 22 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 2asy n LEU 23 N -1.13 0.62 0.08 1.08 7.94 -0.39 -1.52 117.00 123.67 2asy n LEU 23 Ca 0.12 0.43 -0.06 0.00 -1.11 0.00 0.00 56.01 55.39 2asy n LEU 23 Cb 0.11 -0.31 -0.03 0.00 0.53 0.00 0.00 43.42 43.71 2asy n LEU 23 CO 0.13 -0.09 0.17 0.50 -1.11 0.00 0.00 177.39 176.98 2asy h LYS 24 N 0.00 -0.28 0.04 1.96 1.63 -1.44 -3.31 116.57 115.18 2asy h LYS 24 Ca 0.00 0.02 -0.33 0.00 -0.85 0.00 0.00 60.65 59.49 2asy h LYS 24 Cb 0.68 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.33 2asy h LYS 24 CO 0.00 -0.10 -1.91 -0.35 -3.45 0.00 0.00 179.45 173.64 2asy n PRO 25 N -4.97 0.68 -0.23 1.90 -0.04 -1.25 -4.40 135.00 126.70 2asy n PRO 25 Ca -0.05 0.25 0.12 0.00 -0.04 0.00 0.00 63.50 63.78 2asy n PRO 25 Cb 0.16 -1.73 0.25 0.00 -0.04 0.00 0.00 33.50 32.14 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 -3.18 3.46 -0.28 1.53 4.77 -0.58 -4.51 117.00 118.21 2asy n LEU 26 Ca -0.25 -1.56 0.10 0.00 -0.03 0.00 0.00 56.01 54.28 2asy n LEU 26 Cb 1.06 -0.30 0.25 0.00 -2.33 0.00 0.00 43.42 42.10 2asy n LEU 26 CO 0.43 0.78 0.94 0.00 -1.33 0.00 0.00 177.39 178.21 2asy h ALA 27 N 4.44 1.16 0.00 -1.18 0.00 -1.64 0.51 119.26 122.56 2asy h ALA 27 Ca 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2asy h ALA 27 Cb 0.95 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2asy h ALA 27 CO 0.00 -0.41 -0.07 1.05 0.00 0.00 0.00 179.25 179.82 2asy h GLU 28 N 0.24 0.00 0.00 0.00 4.11 -1.87 0.17 114.58 117.23 2asy h GLU 28 Ca 0.50 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.75 2asy h GLU 28 Cb 0.96 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 2asy h GLU 28 CO -0.60 0.07 -1.57 0.43 0.07 0.00 0.00 179.01 177.40 2asy n SER 29 N -3.42 1.94 -0.04 3.06 7.64 0.13 -3.38 113.62 119.55 2asy n SER 29 Ca -0.02 0.36 -0.14 0.00 1.01 0.00 0.00 58.87 60.08 2asy n SER 29 Cb 0.21 -0.79 -0.09 0.00 -1.01 0.00 0.00 64.21 62.53 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 1.42 0.13 0.44 -0.00 -0.28 -3.32 117.51 114.90 2asy h ILE 30 Ca -0.28 -1.55 -0.32 0.00 -0.00 0.00 0.00 64.86 62.71 2asy h ILE 30 Cb 1.22 2.24 -0.00 0.00 -0.00 0.00 0.00 36.82 40.28 2asy h ILE 30 CO -0.17 0.44 -1.65 -1.13 -0.00 0.00 0.00 178.15 175.64 2asy h ASN 31 N -0.22 0.43 0.00 2.16 -1.24 -1.41 -3.47 115.58 111.83 2asy h ASN 31 Ca -0.00 -0.88 0.00 0.00 0.71 0.00 0.00 56.30 56.12 2asy h ASN 31 Cb 0.81 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.72 2asy h ASN 31 CO 0.04 1.72 0.00 1.67 -1.29 0.00 0.00 177.43 179.57 2asy n GLN 32 N -3.75 0.00 -2.74 6.67 0.00 0.49 -4.28 117.38 113.76 2asy n GLN 32 Ca -0.27 0.00 -0.40 0.00 -0.00 0.00 0.00 57.00 56.33 2asy n GLN 32 Cb 0.97 -0.47 -0.06 0.00 0.00 0.00 0.00 30.24 30.69 2asy n GLN 32 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2asy s GLU 33 N 0.00 4.81 -0.05 3.69 -6.30 -1.26 -4.87 118.70 114.72 2asy s GLU 33 Ca 0.00 1.49 -0.04 0.00 -2.50 0.00 0.00 54.97 53.91 2asy s GLU 33 Cb 0.00 -3.30 -0.02 0.00 0.00 0.00 0.00 34.13 30.80 2asy s GLU 33 CO 0.00 0.43 0.22 -1.00 0.02 0.00 0.00 175.26 174.94 2asy h PRO 34 N 4.51 -0.15 0.00 4.30 0.13 -1.93 -3.45 132.00 135.42 2asy h PRO 34 Ca -0.44 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2asy h PRO 34 Cb 1.20 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2asy h PRO 34 CO 0.69 -0.10 0.00 0.41 -0.23 0.00 0.00 178.00 178.77 2asy n GLY 35 N 1.31 3.10 4.91 1.56 0.00 -1.26 -4.85 105.19 109.96 2asy n GLY 35 Ca -0.02 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.09 1.61 3.01 -1.26 -1.74 117.46 118.99 2asy n PHE 36 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.37 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 1.28 1.01 0.00 0.00 176.76 179.05 2asy n LEU 37 N 0.00 1.88 -3.82 4.37 7.99 -1.26 -5.01 117.00 121.15 2asy n LEU 37 Ca 0.00 0.46 -0.04 0.00 -0.01 0.00 0.00 56.01 56.42 2asy n LEU 37 Cb 0.00 -0.81 0.01 0.00 -0.11 0.00 0.00 43.42 42.51 2asy n LEU 37 CO 0.00 -0.27 0.76 -1.66 -1.51 0.00 0.00 177.39 174.70 2asy s TRP 38 N -2.59 -0.00 0.41 -1.77 1.48 -1.24 -5.03 118.94 110.19 2asy s TRP 38 Ca -0.24 -0.38 0.05 0.00 -1.06 0.00 0.00 56.10 54.47 2asy s TRP 38 Cb 0.04 0.69 -0.06 0.00 -1.16 0.00 0.00 33.47 32.98 2asy s TRP 38 CO 0.36 -0.93 0.03 0.15 -4.06 0.00 0.00 176.95 172.49 2asy s LYS 39 N -2.62 1.94 -0.15 3.25 -0.14 -1.26 -4.28 119.74 116.48 2asy s LYS 39 Ca 0.17 -2.13 -0.08 0.00 -1.36 0.00 0.00 55.97 52.58 2asy s LYS 39 Cb -0.02 -1.39 -0.04 0.00 -1.68 0.00 0.00 37.83 34.69 2asy s LYS 39 CO 0.04 -0.17 0.12 0.54 -0.76 0.00 0.00 175.35 175.13 2asy s VAL 40 N -2.90 5.35 -1.02 3.17 0.11 -1.26 -4.95 120.40 118.90 2asy s VAL 40 Ca 0.29 0.16 -0.05 0.00 -2.93 0.00 0.00 61.98 59.45 2asy s VAL 40 Cb 0.08 -3.37 0.28 0.00 -1.53 0.00 0.00 36.38 31.84 2asy s VAL 40 CO 0.14 0.55 1.17 -2.67 -3.33 0.00 0.00 175.10 170.96 2asy n TRP 41 N 2.56 3.81 -3.83 1.54 4.27 -1.26 -4.93 117.44 119.59 2asy n TRP 41 Ca -0.18 -3.47 -0.12 0.00 -3.89 0.00 0.00 57.50 49.83 2asy n TRP 41 Cb 0.54 -1.34 -0.13 0.00 -1.36 0.00 0.00 31.31 29.02 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 -1.99 -0.01 -0.30 -1.67 2.01 -1.26 -5.04 115.64 107.39 2asy s THR 42 Ca 0.31 0.02 -0.09 0.00 0.31 0.00 0.00 61.69 62.24 2asy s THR 42 Cb -0.02 -0.15 0.14 0.00 0.01 0.00 0.00 72.50 72.48 2asy s THR 42 CO -0.01 0.01 0.66 -0.70 -0.69 0.00 0.00 174.62 173.89 2asy s GLU 43 N 0.18 0.56 -0.21 4.92 2.12 -1.26 -2.84 118.70 122.17 2asy s GLU 43 Ca -0.01 1.36 0.01 0.00 0.36 0.00 0.00 54.97 56.69 2asy s GLU 43 Cb -0.02 0.82 0.05 0.00 0.26 0.00 0.00 34.13 35.23 2asy s GLU 43 CO -0.00 -0.25 -0.10 0.45 -0.54 0.00 0.00 175.26 174.82 2asy s SER 44 N 2.87 3.55 0.21 -1.70 0.15 0.47 -4.99 113.70 114.27 2asy s SER 44 Ca -0.02 -0.97 0.05 0.00 0.70 0.00 0.00 55.95 55.70 2asy s SER 44 Cb -0.12 -1.27 0.15 0.00 -1.71 0.00 0.00 66.02 63.07 2asy s SER 44 CO -0.19 -0.16 1.49 1.05 1.20 0.00 0.00 173.24 176.63 2asy h GLU 45 N 7.95 0.18 0.00 5.44 4.11 -1.96 -0.36 114.58 129.93 2asy h GLU 45 Ca -0.26 -0.15 -0.14 0.00 0.07 0.00 0.00 59.36 58.88 2asy h GLU 45 Cb 1.09 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2asy h GLU 45 CO 0.47 0.82 -0.66 1.57 0.07 0.00 0.00 179.01 181.29 2asy h LYS 46 N 0.12 0.00 0.00 1.06 -0.00 -1.94 -2.65 116.57 113.16 2asy h LYS 46 Ca -0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 60.65 60.58 2asy h LYS 46 Cb 1.28 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.50 2asy h LYS 46 CO 0.11 0.66 -0.77 -0.97 -0.00 0.00 0.00 179.45 178.47 2asy h ASN 47 N 0.00 0.00 -5.13 7.07 -1.24 -1.98 -3.48 115.58 110.83 2asy h ASN 47 Ca -0.01 0.00 -0.27 0.00 0.71 0.00 0.00 56.30 56.74 2asy h ASN 47 Cb 1.37 0.00 0.15 0.00 0.73 0.00 0.00 38.32 40.57 2asy h ASN 47 CO 0.09 0.21 -0.68 1.41 -1.29 0.00 0.00 177.43 177.16 2asy n HIS 48 N -2.92 -1.94 -3.68 0.67 8.25 -0.26 -4.93 115.22 110.41 2asy n HIS 48 Ca -0.01 0.79 -0.15 0.00 -0.26 0.00 0.00 57.72 58.10 2asy n HIS 48 Cb 0.64 -4.46 -0.08 0.00 1.12 0.00 0.00 29.99 27.21 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 -4.92 0.80 -0.28 -0.41 2.12 -0.54 -0.58 118.70 114.90 2asy s GLU 49 Ca 0.10 -0.09 -0.03 0.00 0.36 0.00 0.00 54.97 55.31 2asy s GLU 49 Cb -0.01 0.36 0.11 0.00 0.26 0.00 0.00 34.13 34.85 2asy s GLU 49 CO 0.63 -0.24 0.20 0.00 -0.54 0.00 0.00 175.26 175.31 2asy s ALA 50 N -1.42 0.13 0.00 6.30 0.00 -0.10 -0.39 121.76 126.28 2asy s ALA 50 Ca -0.12 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.19 2asy s ALA 50 Cb -0.03 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.57 2asy s ALA 50 CO 0.05 -1.61 0.00 0.41 0.00 0.00 0.00 175.76 174.61 2asy n GLY 51 N 5.28 -1.44 0.00 0.00 0.00 -1.13 -3.70 105.19 104.21 2asy n GLY 51 Ca -0.05 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.36 1.18 3.01 -0.02 0.00 -0.79 -4.78 105.19 102.43 2asy n GLY 52 Ca 0.00 0.38 -0.20 0.00 0.00 0.00 0.00 46.02 46.21 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 2.20 0.77 0.35 -0.61 -1.09 -1.26 -0.01 121.20 121.55 2asy s ILE 53 Ca 0.00 -0.38 -0.14 0.00 -2.23 0.00 0.00 60.65 57.91 2asy s ILE 53 Cb 0.00 -0.67 0.04 0.00 -1.58 0.00 0.00 42.46 40.24 2asy s ILE 53 CO 0.00 0.23 0.70 -0.72 -1.23 0.00 0.00 174.94 173.92 2asy s TYR 54 N 0.05 0.27 0.02 3.97 -0.85 0.59 -4.77 117.35 116.62 2asy s TYR 54 Ca -0.01 -0.80 -0.19 0.00 -0.52 0.00 0.00 57.07 55.55 2asy s TYR 54 Cb -0.07 0.60 -0.06 0.00 0.38 0.00 0.00 41.96 42.81 2asy s TYR 54 CO 0.00 -1.39 0.54 -0.51 -1.52 0.00 0.00 175.55 172.67 2asy s LEU 55 N -3.07 4.46 0.12 -3.49 1.02 -1.26 0.23 118.68 116.69 2asy s LEU 55 Ca 0.18 1.13 0.10 0.00 0.02 0.00 0.00 54.13 55.56 2asy s LEU 55 Cb -0.04 -2.83 -0.04 0.00 0.02 0.00 0.00 46.19 43.30 2asy s LEU 55 CO 0.12 0.21 -0.24 0.12 0.02 0.00 0.00 176.35 176.58 2asy s PHE 56 N -0.66 2.06 0.40 0.29 5.36 0.14 -3.71 117.98 121.85 2asy s PHE 56 Ca 0.28 -0.40 0.25 0.00 -0.96 0.00 0.00 56.93 56.10 2asy s PHE 56 Cb -0.18 -1.12 1.37 0.00 -0.34 0.00 0.00 43.02 42.76 2asy s PHE 56 CO 0.17 0.28 1.60 0.00 -1.46 0.00 0.00 175.22 175.80 2asy h THR 57 N 3.96 0.06 -2.25 0.12 1.03 -1.62 0.16 112.91 114.36 2asy h THR 57 Ca -0.49 -0.02 0.22 0.00 -0.01 0.00 0.00 66.41 66.11 2asy h THR 57 Cb 1.18 -0.00 -0.06 0.00 -1.07 0.00 0.00 68.15 68.19 2asy h THR 57 CO 0.39 0.01 0.64 1.51 -0.01 0.00 0.00 175.52 178.06 2asy s ASP 58 N -4.49 -0.05 -0.15 0.00 1.47 -1.26 -0.23 116.67 111.96 2asy s ASP 58 Ca -0.08 -0.46 -0.18 0.00 1.18 0.00 0.00 52.55 53.00 2asy s ASP 58 Cb 0.32 0.40 -0.24 0.00 -0.34 0.00 0.00 42.92 43.06 2asy s ASP 58 CO 0.80 -0.77 0.44 -0.33 0.68 0.00 0.00 175.17 175.99 2asy h GLU 59 N 2.00 0.13 -0.92 2.11 5.08 -1.94 -3.13 114.58 117.92 2asy h GLU 59 Ca -0.26 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 57.88 2asy h GLU 59 Cb 1.21 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.50 2asy h GLU 59 CO 0.31 1.11 0.61 1.57 -1.00 0.00 0.00 179.01 181.61 2asy h LYS 60 N -0.59 1.19 0.00 2.33 2.10 -2.00 -1.27 116.57 118.33 2asy h LYS 60 Ca -0.30 -0.07 -0.15 0.00 -2.00 0.00 0.00 60.65 58.13 2asy h LYS 60 Cb 1.55 -0.27 -0.02 0.00 -0.90 0.00 0.00 32.23 32.59 2asy h LYS 60 CO -0.04 0.79 -0.74 0.77 -2.00 0.00 0.00 179.45 178.23 2asy h SER 61 N 1.22 0.00 0.11 7.07 0.02 -1.99 -3.32 113.55 116.66 2asy h SER 61 Ca 0.34 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.32 2asy h SER 61 Cb -0.11 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 2asy h SER 61 CO -0.08 0.74 -0.37 0.00 -1.14 0.00 0.00 176.83 175.98 2asy h ALA 62 N 1.26 -0.63 0.00 3.77 0.00 -1.17 0.29 119.26 122.79 2asy h ALA 62 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2asy h ALA 62 Cb 1.42 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.83 2asy h ALA 62 CO 0.10 -0.92 0.00 1.37 0.00 0.00 0.00 179.25 179.80 2asy h LEU 63 N -0.59 0.00 0.08 0.00 -0.00 -1.68 -2.50 115.31 110.62 2asy h LEU 63 Ca 0.03 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.62 2asy h LEU 63 Cb 0.63 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.27 2asy h LEU 63 CO -0.22 0.00 -1.45 0.00 -0.00 0.00 0.00 178.44 176.77 2asy h ALA 64 N 2.15 0.35 -0.00 0.17 0.00 -1.43 -3.37 119.26 117.12 2asy h ALA 64 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.80 2asy h ALA 64 Cb 0.53 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2asy h ALA 64 CO 0.00 1.21 -0.16 0.66 0.00 0.00 0.00 179.25 180.96 2asy n TYR 65 N -3.38 0.00 -0.08 0.00 4.02 0.95 -3.76 117.16 114.91 2asy n TYR 65 Ca -0.13 0.00 0.18 0.00 -0.01 0.00 0.00 57.90 57.93 2asy n TYR 65 Cb 1.02 -0.35 0.60 0.00 -0.02 0.00 0.00 39.34 40.59 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 0.13 0.19 -1.78 7.72 -0.00 -1.68 0.50 115.31 120.39 2asy h LEU 66 Ca 0.00 0.01 0.23 0.00 -0.00 0.00 0.00 57.88 58.12 2asy h LEU 66 Cb 0.46 -0.03 -0.05 0.00 -0.00 0.00 0.00 40.66 41.04 2asy h LEU 66 CO 0.00 0.10 0.61 -0.08 -0.00 0.00 0.00 178.44 179.07 2asy h GLU 67 N 0.21 0.17 -0.65 0.17 4.81 -1.86 0.35 114.58 117.77 2asy h GLU 67 Ca 0.31 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.48 2asy h GLU 67 Cb 0.92 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.23 2asy h GLU 67 CO -0.06 0.11 0.23 0.87 -0.73 0.00 0.00 179.01 179.44 2asy h LYS 68 N 0.18 0.99 0.17 1.92 6.56 -1.17 0.36 116.57 125.58 2asy h LYS 68 Ca 0.44 -0.20 -0.32 0.00 -1.06 0.00 0.00 60.65 59.51 2asy h LYS 68 Cb 1.43 -0.15 0.01 0.00 -0.57 0.00 0.00 32.23 32.95 2asy h LYS 68 CO -0.09 0.85 -1.58 0.45 -2.06 0.00 0.00 179.45 177.02 2asy h HIS 69 N 0.93 0.65 -0.72 -1.35 3.86 -1.29 -3.36 115.15 113.87 2asy h HIS 69 Ca 0.21 -0.47 0.03 0.00 -1.16 0.00 0.00 60.37 58.98 2asy h HIS 69 Cb 0.25 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.65 2asy h HIS 69 CO 0.02 1.62 0.45 1.15 0.86 0.00 0.00 177.93 182.03 2asy h THR 70 N -0.04 1.11 0.00 2.45 2.02 -0.28 -1.95 112.91 116.22 2asy h THR 70 Ca -0.32 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.56 2asy h THR 70 Cb 1.98 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 2asy h THR 70 CO 0.15 0.16 0.00 0.00 0.37 0.00 0.00 175.52 176.20 2asy h ALA 71 N 1.30 1.00 0.00 6.16 0.00 -0.43 0.71 119.26 128.01 2asy h ALA 71 Ca 0.29 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 2asy h ALA 71 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2asy h ALA 71 CO -0.10 -0.00 -0.45 0.00 0.00 0.00 0.00 179.25 178.69 2asy h ARG 72 N 0.00 0.00 0.00 0.00 -0.00 -1.55 -3.37 114.38 109.46 2asy h ARG 72 Ca 0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 59.98 59.38 2asy h ARG 72 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 29.96 2asy h ARG 72 CO 0.00 0.36 -0.49 1.37 0.00 0.00 0.00 179.97 181.21 2asy h LEU 73 N -1.00 0.00 -0.94 3.04 8.10 -0.75 0.42 115.31 124.18 2asy h LEU 73 Ca -0.07 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.81 2asy h LEU 73 Cb 0.61 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.81 2asy h LEU 73 CO -0.04 0.49 -0.47 0.07 -4.11 0.00 0.00 178.44 174.38 2asy h LYS 74 N 0.00 0.14 0.00 0.17 2.10 0.26 0.31 116.57 119.54 2asy h LYS 74 Ca -0.00 -0.07 -0.05 0.00 -2.00 0.00 0.00 60.65 58.53 2asy h LYS 74 Cb 1.33 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.66 2asy h LYS 74 CO 0.06 0.58 -0.27 -0.97 -2.00 0.00 0.00 179.45 176.85 2asy h ASN 75 N 0.11 0.00 0.00 7.07 -1.24 -1.67 -3.42 115.58 116.44 2asy h ASN 75 Ca 0.01 -0.84 0.00 0.00 0.71 0.00 0.00 56.30 56.18 2asy h ASN 75 Cb 0.87 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.92 2asy h ASN 75 CO 0.07 1.07 -0.64 0.00 -1.29 0.00 0.00 177.43 176.64 2asy n LEU 76 N -4.58 0.11 0.00 0.34 -0.00 0.12 -4.98 117.00 108.00 2asy n LEU 76 Ca -0.14 -0.28 0.00 0.00 -0.00 0.00 0.00 56.01 55.59 2asy n LEU 76 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 2asy n LEU 76 CO 0.29 0.03 0.00 0.61 -0.00 0.00 0.00 177.39 178.32 2asy n GLY 77 N 1.61 0.37 0.30 1.47 0.00 0.74 -4.89 105.19 104.79 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 0.74 -4.30 118.33 119.52 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 -0.06 0.00 0.00 -1.06 0.00 0.00 33.84 32.72 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 -1.23 0.00 -3.84 1.45 1.02 -1.26 -4.87 120.64 111.90 2asy n GLU 79 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 2asy n GLU 79 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 2asy n GLU 79 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2asy s GLU 80 N 0.00 1.33 -0.05 3.49 2.02 -1.26 -3.92 118.70 120.31 2asy s GLU 80 Ca 0.00 -1.01 -0.13 0.00 0.02 0.00 0.00 54.97 53.86 2asy s GLU 80 Cb 0.00 0.47 -0.05 0.00 0.10 0.00 0.00 34.13 34.65 2asy s GLU 80 CO 0.00 -0.54 0.33 0.54 0.02 0.00 0.00 175.26 175.61 2asy s VAL 81 N -3.92 5.18 -0.59 2.63 0.11 -1.26 -4.58 120.40 117.97 2asy s VAL 81 Ca 0.13 0.65 -0.27 0.00 -2.93 0.00 0.00 61.98 59.57 2asy s VAL 81 Cb 0.00 -3.62 0.03 0.00 -1.53 0.00 0.00 36.38 31.26 2asy s VAL 81 CO -0.01 0.57 1.12 -0.69 -3.33 0.00 0.00 175.10 172.77 2asy s VAL 82 N -0.92 4.10 -0.20 2.04 1.01 0.11 -4.88 120.40 121.67 2asy s VAL 82 Ca 0.21 0.64 0.01 0.00 0.00 0.00 0.00 61.98 62.84 2asy s VAL 82 Cb -0.15 -4.69 0.04 0.00 0.00 0.00 0.00 36.38 31.58 2asy s VAL 82 CO 0.10 -1.33 -0.13 0.00 0.00 0.00 0.00 175.10 173.74 2asy s ALA 83 N 4.72 2.13 -0.02 5.51 0.00 -1.24 -1.30 121.76 131.55 2asy s ALA 83 Ca 0.38 -1.26 -0.05 0.00 0.00 0.00 0.00 51.96 51.03 2asy s ALA 83 Cb -0.09 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.75 2asy s ALA 83 CO 0.22 -0.74 0.12 0.15 0.00 0.00 0.00 175.76 175.51 2asy s LYS 84 N 1.34 0.31 -0.34 0.00 1.02 0.02 -4.86 119.74 117.23 2asy s LYS 84 Ca -0.01 -0.14 -0.10 0.00 0.02 0.00 0.00 55.97 55.74 2asy s LYS 84 Cb -0.16 0.13 0.01 0.00 -0.52 0.00 0.00 37.83 37.30 2asy s LYS 84 CO -0.09 -0.06 0.17 0.08 -0.92 0.00 0.00 175.35 174.53 2asy s VAL 85 N -0.70 4.49 0.63 3.17 1.01 -1.26 0.21 120.40 127.95 2asy s VAL 85 Ca -0.08 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.23 2asy s VAL 85 Cb -0.05 -3.41 0.09 0.00 0.00 0.00 0.00 36.38 33.01 2asy s VAL 85 CO 0.01 -0.09 0.87 0.72 0.00 0.00 0.00 175.10 176.61 2asy s PHE 86 N 1.56 1.93 0.03 5.22 -0.12 -1.26 -5.02 117.98 120.33 2asy s PHE 86 Ca 0.03 -0.31 0.01 0.00 -0.05 0.00 0.00 56.93 56.61 2asy s PHE 86 Cb -0.18 -2.74 -0.02 0.00 -0.63 0.00 0.00 43.02 39.45 2asy s PHE 86 CO 0.06 -1.32 -0.06 0.34 -0.05 0.00 0.00 175.22 174.20 2asy s ASP 87 N -4.62 0.62 -0.20 1.98 -1.08 -1.26 -4.88 116.67 107.23 2asy s ASP 87 Ca 0.62 -0.45 -0.23 0.00 -0.52 0.00 0.00 52.55 51.97 2asy s ASP 87 Cb -0.07 0.04 -0.02 0.00 -1.46 0.00 0.00 42.92 41.41 2asy s ASP 87 CO 0.41 -0.19 0.74 -0.69 0.52 0.00 0.00 175.17 175.97 2asy s VAL 88 N -1.18 4.93 -0.31 1.11 1.01 -1.26 -5.00 120.40 119.70 2asy s VAL 88 Ca -0.10 1.42 -0.02 0.00 0.00 0.00 0.00 61.98 63.29 2asy s VAL 88 Cb -0.09 -4.05 0.10 0.00 0.00 0.00 0.00 36.38 32.35 2asy s VAL 88 CO -0.00 0.04 0.12 0.21 0.00 0.00 0.00 175.10 175.48 2asy s ASN 89 N 1.22 3.76 -0.18 3.32 2.47 -1.26 -5.07 114.94 119.20 2asy s ASN 89 Ca 0.33 -1.59 0.10 0.00 0.42 0.00 0.00 52.86 52.13 2asy s ASN 89 Cb -0.16 -0.65 0.61 0.00 -1.45 0.00 0.00 41.25 39.61 2asy s ASN 89 CO 0.11 -0.41 1.44 -1.84 -3.72 0.00 0.00 177.10 172.67 2asy n GLU 90 N 4.89 3.91 0.30 0.43 -0.00 -1.26 -4.43 120.64 124.48 2asy n GLU 90 Ca -0.02 -2.36 0.19 0.00 -0.00 0.00 0.00 57.16 54.97 2asy n GLU 90 Cb 0.41 -2.08 1.02 0.00 -0.00 0.00 0.00 31.44 30.80 2asy n GLU 90 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 2asy h PRO 91 N 2.97 0.00 -0.20 3.44 0.13 -2.05 -1.37 132.00 134.92 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 1.62 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.75 2asy h PRO 91 CO 0.37 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.42 2asy n LEU 92 N -3.37 1.17 0.28 1.56 7.99 -1.26 -3.76 117.00 119.61 2asy n LEU 92 Ca -0.02 -0.57 0.15 0.00 -0.01 0.00 0.00 56.01 55.57 2asy n LEU 92 Cb 0.17 -0.13 0.79 0.00 -0.11 0.00 0.00 43.42 44.14 2asy n LEU 92 CO 0.22 0.28 1.01 0.77 -1.51 0.00 0.00 177.39 178.16 2asy h SER 93 N 1.34 0.00 0.82 -1.43 4.64 -1.59 -1.20 113.55 116.13 2asy h SER 93 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2asy h SER 93 Cb 0.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2asy h SER 93 CO 0.00 0.08 -0.13 1.56 -0.87 0.00 0.00 176.83 177.47 2asy h GLN 94 N 0.00 0.00 -0.33 4.77 4.20 -1.82 -1.35 115.11 120.59 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 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2asy h GLN 94 CO 0.01 0.13 0.00 -0.89 -0.67 0.00 0.00 178.83 177.41 2asy n ILE 95 N -3.34 0.43 0.65 2.54 -0.00 -0.45 -3.71 119.36 115.48 2asy n ILE 95 Ca -0.00 -0.58 0.11 0.00 -0.00 0.00 0.00 62.75 62.27 2asy n ILE 95 Cb 0.35 0.62 -0.03 0.00 -0.00 0.00 0.00 39.64 40.57 2asy n ILE 95 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 2asy n ASN 96 N 0.95 0.63 0.00 4.38 5.03 -0.51 -4.55 115.26 121.20 2asy n ASN 96 Ca 0.18 -0.43 0.06 0.00 0.87 0.00 0.00 54.58 55.26 2asy n ASN 96 Cb 0.47 0.99 0.35 0.00 -1.02 0.00 0.00 39.78 40.57 2asy n ASN 96 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2asy n GLN 97 N -1.83 0.45 0.03 3.52 6.02 -1.24 -0.23 117.38 124.11 2asy n GLN 97 Ca 0.02 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.82 2asy n GLN 97 Cb 0.42 -1.40 -0.14 0.00 1.02 0.00 0.00 30.24 30.13 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 2.71 -0.07 0.00 -1.58 0.00 -1.86 -3.38 119.26 115.09 2asy h ALA 98 Ca 0.00 -0.66 -0.05 0.00 0.00 0.00 0.00 54.91 54.20 2asy h ALA 98 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2asy h ALA 98 CO 0.00 0.32 -1.29 1.63 0.00 0.00 0.00 179.25 179.92 2asy n LYS 99 N -4.20 1.92 -0.90 0.00 4.76 -0.89 -4.62 118.16 114.24 2asy n LYS 99 Ca -0.13 -0.02 -0.15 0.00 -2.87 0.00 0.00 58.31 55.14 2asy n LYS 99 Cb 0.77 -1.12 0.16 0.00 -1.84 0.00 0.00 35.03 32.99 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 -1.96 5.69 0.00 -0.35 4.77 0.68 -5.17 117.00 120.66 2asy n LEU 100 Ca -0.05 -3.00 0.00 0.00 -0.03 0.00 0.00 56.01 52.93 2asy n LEU 100 Cb 0.43 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 2asy n LEU 100 CO 0.10 0.87 0.00 0.00 -1.33 0.00 0.00 177.39 177.03