#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 -0.45 -1.77 -5.12 0.00 -1.24 -4.99 120.51 106.94 2asy n ALA 2 Ca 0.00 0.13 -0.37 0.00 0.00 0.00 0.00 53.44 53.20 2asy n ALA 2 Cb 0.00 -1.95 -0.02 0.00 0.00 0.00 0.00 19.45 17.48 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 3.24 -0.21 0.00 2.01 -0.66 -4.81 115.64 112.47 2asy s THR 3 Ca 0.09 0.93 -0.08 0.00 0.31 0.00 0.00 61.69 62.94 2asy s THR 3 Cb -0.04 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 2asy s THR 3 CO 0.11 -0.01 0.09 -0.22 -0.69 0.00 0.00 174.62 173.89 2asy s LEU 4 N -2.97 3.84 -0.01 4.42 2.96 -1.26 0.08 118.68 125.73 2asy s LEU 4 Ca 0.63 0.04 0.04 0.00 -0.22 0.00 0.00 54.13 54.61 2asy s LEU 4 Cb -0.27 -2.00 -0.01 0.00 0.50 0.00 0.00 46.19 44.42 2asy s LEU 4 CO 0.33 0.11 -0.12 -0.22 -1.32 0.00 0.00 176.35 175.13 2asy s LEU 5 N 0.77 2.01 -0.08 -0.68 0.20 0.14 -4.26 118.68 116.79 2asy s LEU 5 Ca 0.05 -0.22 -0.21 0.00 0.69 0.00 0.00 54.13 54.43 2asy s LEU 5 Cb -0.13 -0.63 -0.04 0.00 -0.43 0.00 0.00 46.19 44.96 2asy s LEU 5 CO 0.02 0.15 0.61 -1.10 -0.29 0.00 0.00 176.35 175.74 2asy s GLN 6 N -0.26 4.39 -0.26 1.98 -0.21 0.53 -0.42 119.66 125.41 2asy s GLN 6 Ca 0.04 0.71 -0.01 0.00 0.02 0.00 0.00 55.36 56.12 2asy s GLN 6 Cb -0.05 -3.43 0.14 0.00 1.00 0.00 0.00 33.01 30.67 2asy s GLN 6 CO -0.00 0.12 0.38 -1.17 -2.12 0.00 0.00 175.29 172.50 2asy s LEU 7 N 0.65 -0.65 0.14 2.90 0.20 0.66 -1.30 118.68 121.27 2asy s LEU 7 Ca 0.33 -0.03 -0.15 0.00 0.69 0.00 0.00 54.13 54.96 2asy s LEU 7 Cb -0.17 1.07 0.03 0.00 -0.43 0.00 0.00 46.19 46.69 2asy s LEU 7 CO 0.15 -0.32 0.40 -1.38 -0.29 0.00 0.00 176.35 174.90 2asy s HIS 8 N 2.53 -0.10 0.26 5.38 -3.43 -0.61 -1.75 115.29 117.57 2asy s HIS 8 Ca 0.11 -0.24 -0.12 0.00 -0.80 0.00 0.00 55.06 54.02 2asy s HIS 8 Cb -0.14 0.23 -0.00 0.00 -1.43 0.00 0.00 32.58 31.23 2asy s HIS 8 CO -0.21 -0.73 0.47 -0.59 -2.00 0.00 0.00 174.74 171.67 2asy s PHE 9 N -3.84 0.45 0.53 0.38 -0.71 -1.10 -0.15 117.98 113.54 2asy s PHE 9 Ca 0.06 -0.80 -0.19 0.00 -1.04 0.00 0.00 56.93 54.96 2asy s PHE 9 Cb 0.02 0.15 -0.07 0.00 -1.21 0.00 0.00 43.02 41.91 2asy s PHE 9 CO -0.09 -1.01 1.06 0.00 -1.34 0.00 0.00 175.22 173.84 2asy s ALA 10 N -3.89 2.80 0.51 1.99 0.00 -1.26 -0.67 121.76 121.23 2asy s ALA 10 Ca 0.24 0.58 -0.22 0.00 0.00 0.00 0.00 51.96 52.56 2asy s ALA 10 Cb -0.00 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.79 2asy s ALA 10 CO 0.10 -0.54 1.20 0.12 0.00 0.00 0.00 175.76 176.65 2asy s PHE 11 N -2.08 2.67 -0.06 0.00 5.36 0.51 -1.92 117.98 122.47 2asy s PHE 11 Ca 0.67 1.50 0.00 0.00 -0.96 0.00 0.00 56.93 58.15 2asy s PHE 11 Cb -0.18 -3.46 0.00 0.00 -0.34 0.00 0.00 43.02 39.04 2asy s PHE 11 CO 0.26 -1.87 0.00 -1.71 -1.46 0.00 0.00 175.22 170.44 2asy n ASN 12 N -0.85 -3.15 -0.12 6.13 5.15 -1.26 -4.82 115.26 116.34 2asy n ASN 12 Ca 0.09 0.01 -0.23 0.00 -0.60 0.00 0.00 54.58 53.86 2asy n ASN 12 Cb 0.48 -0.70 -0.09 0.00 -0.53 0.00 0.00 39.78 38.94 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 -2.82 -0.61 3.99 8.20 0.00 -0.81 -3.81 105.19 109.34 2asy n GLY 13 Ca -0.01 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.51 2.64 0.48 1.61 0.04 -1.26 -3.78 135.00 132.22 2asy s PRO 14 Ca -0.33 -0.96 0.17 0.00 0.04 0.00 0.00 61.00 59.92 2asy s PRO 14 Cb 0.10 -2.59 1.16 0.00 0.04 0.00 0.00 34.50 33.21 2asy s PRO 14 CO 0.49 -0.55 2.03 0.74 0.04 0.00 0.00 177.00 179.74 2asy h PHE 15 N 0.28 0.23 0.00 0.56 0.04 -1.95 -3.47 116.94 112.64 2asy h PHE 15 Ca -0.41 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.36 2asy h PHE 15 Cb 1.29 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 39.36 2asy h PHE 15 CO 0.38 0.12 0.00 0.41 -0.60 0.00 0.00 178.31 178.62 2asy n GLY 16 N -1.55 2.36 0.32 -1.45 0.00 -1.26 -4.80 105.19 98.80 2asy n GLY 16 Ca 0.07 -0.67 0.17 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.31 1.61 5.19 -1.97 0.33 116.42 120.27 2asy h ASP 17 Ca 0.00 0.00 0.40 0.00 -0.62 0.00 0.00 57.03 56.81 2asy h ASP 17 Cb 0.00 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 39.41 2asy h ASP 17 CO 0.00 0.00 0.87 0.00 -3.12 0.00 0.00 179.24 176.99 2asy h ALA 18 N 1.86 2.81 0.00 3.45 0.00 -1.94 0.31 119.26 125.75 2asy h ALA 18 Ca 0.04 0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.75 2asy h ALA 18 Cb 0.27 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2asy h ALA 18 CO -0.00 -1.33 -1.87 -1.33 0.00 0.00 0.00 179.25 174.72 2asy n MET 19 N -4.51 0.56 -0.17 0.00 2.81 0.09 -1.00 117.12 114.91 2asy n MET 19 Ca 0.33 0.24 0.16 0.00 -1.81 0.00 0.00 57.70 56.62 2asy n MET 19 Cb 1.34 -1.46 0.51 0.00 -0.71 0.00 0.00 33.22 32.90 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 -0.99 2.13 0.00 3.04 0.00 -1.36 -3.18 119.26 118.90 2asy h ALA 20 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2asy h ALA 20 Cb 1.34 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2asy h ALA 20 CO -0.24 -0.34 -0.49 -1.91 0.00 0.00 0.00 179.25 176.28 2asy n GLU 21 N -4.48 0.00 0.28 0.00 4.07 0.42 -4.86 120.64 116.06 2asy n GLU 21 Ca 0.15 0.00 0.16 0.00 -0.06 0.00 0.00 57.16 57.41 2asy n GLU 21 Cb 0.54 -0.28 0.72 0.00 -0.06 0.00 0.00 31.44 32.36 2asy n GLU 21 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 2asy h GLN 22 N 0.00 0.00 0.00 5.31 1.08 -0.64 -2.15 115.11 118.71 2asy h GLN 22 Ca 0.00 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 2asy h GLN 22 Cb 0.49 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 2asy h GLN 22 CO 0.00 0.05 -0.29 1.25 -0.95 0.00 0.00 178.83 178.89 2asy h LEU 23 N 0.00 0.00 0.30 1.46 5.85 -1.04 -0.75 115.31 121.12 2asy h LEU 23 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2asy h LEU 23 Cb 0.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2asy h LEU 23 CO 0.01 0.29 -0.14 0.50 -0.34 0.00 0.00 178.44 178.75 2asy h LYS 24 N 0.00 -0.39 0.01 1.25 3.64 -1.60 -3.06 116.57 116.43 2asy h LYS 24 Ca -0.00 0.03 -0.34 0.00 -1.27 0.00 0.00 60.65 59.06 2asy h LYS 24 Cb 0.94 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.79 2asy h LYS 24 CO 0.04 -0.09 -2.10 -0.35 -2.27 0.00 0.00 179.45 174.67 2asy n PRO 25 N -5.15 0.67 -0.21 1.90 -0.04 -1.24 -4.60 135.00 126.33 2asy n PRO 25 Ca -0.10 0.15 0.09 0.00 -0.04 0.00 0.00 63.50 63.60 2asy n PRO 25 Cb 0.25 -1.64 0.21 0.00 -0.04 0.00 0.00 33.50 32.27 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 -2.97 3.27 -0.29 1.53 4.77 -0.29 -4.63 117.00 118.38 2asy n LEU 26 Ca -0.28 -1.71 0.11 0.00 -0.03 0.00 0.00 56.01 54.10 2asy n LEU 26 Cb 1.09 -0.28 0.26 0.00 -2.33 0.00 0.00 43.42 42.16 2asy n LEU 26 CO 0.42 0.76 0.92 0.00 -1.33 0.00 0.00 177.39 178.16 2asy h ALA 27 N 3.48 1.16 0.00 -1.18 0.00 -1.55 0.61 119.26 121.78 2asy h ALA 27 Ca 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2asy h ALA 27 Cb 0.86 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2asy h ALA 27 CO 0.00 -0.45 -0.05 1.05 0.00 0.00 0.00 179.25 179.81 2asy h GLU 28 N 0.20 0.00 0.00 0.00 4.11 -1.82 -1.01 114.58 116.05 2asy h GLU 28 Ca 0.52 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.71 2asy h GLU 28 Cb 1.01 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.22 2asy h GLU 28 CO -0.65 0.05 -1.89 0.43 0.07 0.00 0.00 179.01 177.02 2asy n SER 29 N -3.34 2.39 -0.07 3.06 7.64 0.15 -3.57 113.62 119.87 2asy n SER 29 Ca -0.02 -0.05 -0.12 0.00 1.01 0.00 0.00 58.87 59.70 2asy n SER 29 Cb 0.19 0.21 -0.08 0.00 -1.01 0.00 0.00 64.21 63.51 2asy n SER 29 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 2asy h ILE 30 N 0.00 0.99 0.00 0.44 -0.00 -0.06 -3.37 117.51 115.52 2asy h ILE 30 Ca -0.35 -1.86 -0.21 0.00 -0.00 0.00 0.00 64.86 62.44 2asy h ILE 30 Cb 1.65 1.99 -0.03 0.00 -0.00 0.00 0.00 36.82 40.42 2asy h ILE 30 CO -0.02 0.34 -1.33 0.78 -0.00 0.00 0.00 178.15 177.92 2asy h ASN 31 N -1.00 0.00 -1.81 2.16 2.35 -1.66 -3.48 115.58 112.15 2asy h ASN 31 Ca -0.08 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.33 2asy h ASN 31 Cb 0.79 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.11 2asy h ASN 31 CO -0.05 0.79 -0.39 0.00 -1.65 0.00 0.00 177.43 176.13 2asy n GLN 32 N -3.07 -1.27 -2.99 0.81 6.02 -0.42 -4.08 117.38 112.39 2asy n GLN 32 Ca -0.09 0.91 -0.26 0.00 -0.01 0.00 0.00 57.00 57.55 2asy n GLN 32 Cb 0.92 -5.26 -0.01 0.00 1.02 0.00 0.00 30.24 26.92 2asy n GLN 32 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 2asy s GLU 33 N -4.32 3.52 0.00 -1.09 -1.05 -1.24 -4.94 118.70 109.58 2asy s GLU 33 Ca 0.00 -0.05 0.00 0.00 -0.15 0.00 0.00 54.97 54.77 2asy s GLU 33 Cb 0.00 -2.51 0.00 0.00 -0.44 0.00 0.00 34.13 31.18 2asy s GLU 33 CO 0.00 -0.04 0.00 -0.35 0.95 0.00 0.00 175.26 175.82 2asy n PRO 34 N -2.03 0.00 0.00 -4.83 -0.05 -1.26 -4.37 135.00 122.46 2asy n PRO 34 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.44 2asy n PRO 34 Cb 0.56 -0.12 0.00 0.00 -0.05 0.00 0.00 33.50 33.88 2asy n PRO 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2asy n GLY 35 N 2.46 2.63 5.00 0.55 0.00 -1.26 -4.91 105.19 109.65 2asy n GLY 35 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.02 1.61 3.01 -1.26 -1.92 117.46 118.88 2asy n PHE 36 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.27 2asy n PHE 36 Cb 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.34 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 0.25 -8.03 4.37 -0.00 -1.89 -3.49 115.31 106.52 2asy h LEU 37 Ca 0.00 -0.87 0.00 0.00 -0.00 0.00 0.00 57.88 57.02 2asy h LEU 37 Cb 0.00 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 40.56 2asy h LEU 37 CO 0.00 1.38 0.23 -1.66 -0.00 0.00 0.00 178.44 178.39 2asy s TRP 38 N -2.38 0.05 0.20 1.13 1.48 -1.23 -4.99 118.94 113.20 2asy s TRP 38 Ca -0.19 -0.62 0.10 0.00 -1.06 0.00 0.00 56.10 54.32 2asy s TRP 38 Cb 0.02 0.74 -0.04 0.00 -1.16 0.00 0.00 33.47 33.02 2asy s TRP 38 CO 0.74 -1.42 -0.16 0.21 -4.06 0.00 0.00 176.95 172.27 2asy s LYS 39 N -2.98 1.83 -0.06 3.25 2.47 -1.26 -4.54 119.74 118.45 2asy s LYS 39 Ca 0.15 -1.42 -0.18 0.00 -1.56 0.00 0.00 55.97 52.95 2asy s LYS 39 Cb -0.05 -2.00 -0.05 0.00 -1.46 0.00 0.00 37.83 34.27 2asy s LYS 39 CO 0.10 0.41 0.51 0.54 0.16 0.00 0.00 175.35 177.07 2asy s VAL 40 N -1.80 5.07 -0.57 4.02 0.11 -1.26 -4.96 120.40 121.01 2asy s VAL 40 Ca 0.24 1.04 0.04 0.00 -2.93 0.00 0.00 61.98 60.37 2asy s VAL 40 Cb -0.08 -3.84 0.14 0.00 -1.53 0.00 0.00 36.38 31.07 2asy s VAL 40 CO 0.13 0.39 0.32 -1.66 -3.33 0.00 0.00 175.10 170.96 2asy s TRP 41 N 0.11 3.28 -0.11 1.54 1.48 -1.26 -4.99 118.94 118.99 2asy s TRP 41 Ca 0.27 -3.18 -0.07 0.00 -1.06 0.00 0.00 56.10 52.07 2asy s TRP 41 Cb -0.16 -2.83 0.04 0.00 -1.16 0.00 0.00 33.47 29.36 2asy s TRP 41 CO 0.13 -0.71 0.27 0.99 -4.06 0.00 0.00 176.95 173.57 2asy s THR 42 N -0.52 -0.03 -0.29 0.66 2.01 -1.26 -4.97 115.64 111.24 2asy s THR 42 Ca 0.19 0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.29 2asy s THR 42 Cb -0.21 -0.41 0.18 0.00 0.01 0.00 0.00 72.50 72.07 2asy s THR 42 CO -0.03 0.04 0.56 -0.70 -0.69 0.00 0.00 174.62 173.80 2asy s GLU 43 N 1.04 0.53 -0.33 4.92 2.12 -1.26 -2.39 118.70 123.32 2asy s GLU 43 Ca -0.07 0.86 0.01 0.00 0.36 0.00 0.00 54.97 56.13 2asy s GLU 43 Cb -0.08 0.33 0.08 0.00 0.26 0.00 0.00 34.13 34.72 2asy s GLU 43 CO -0.07 -0.68 0.05 -1.54 -0.54 0.00 0.00 175.26 172.48 2asy s SER 44 N 2.79 4.85 0.16 -1.70 1.04 0.15 -4.96 113.70 116.04 2asy s SER 44 Ca 0.18 -1.81 0.07 0.00 0.48 0.00 0.00 55.95 54.87 2asy s SER 44 Cb -0.15 -1.68 -0.05 0.00 0.10 0.00 0.00 66.02 64.24 2asy s SER 44 CO -0.21 -0.36 1.37 1.05 0.98 0.00 0.00 173.24 176.07 2asy h GLU 45 N 7.82 0.02 -0.05 4.02 4.11 -1.96 0.18 114.58 128.71 2asy h GLU 45 Ca -0.12 -0.02 -0.18 0.00 0.07 0.00 0.00 59.36 59.10 2asy h GLU 45 Cb 1.04 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2asy h GLU 45 CO 0.55 0.90 -0.76 1.57 0.07 0.00 0.00 179.01 181.34 2asy h LYS 46 N 0.01 0.33 0.00 1.06 -0.00 -1.94 -2.95 116.57 113.08 2asy h LYS 46 Ca -0.01 -0.29 0.00 0.00 -0.00 0.00 0.00 60.65 60.35 2asy h LYS 46 Cb 1.58 0.07 0.00 0.00 -0.00 0.00 0.00 32.23 33.88 2asy h LYS 46 CO 0.12 0.94 -0.56 -0.97 -0.00 0.00 0.00 179.45 178.98 2asy h ASN 47 N 0.22 0.00 -4.18 7.07 -1.24 -1.97 -3.47 115.58 112.01 2asy h ASN 47 Ca -0.03 -0.08 -0.25 0.00 0.71 0.00 0.00 56.30 56.64 2asy h ASN 47 Cb 1.34 0.00 0.09 0.00 0.73 0.00 0.00 38.32 40.48 2asy h ASN 47 CO 0.13 0.04 -0.45 1.41 -1.29 0.00 0.00 177.43 177.27 2asy n HIS 48 N -2.50 -1.83 -4.24 0.67 8.25 -0.05 -4.97 115.22 110.55 2asy n HIS 48 Ca 0.03 0.66 -0.17 0.00 -0.26 0.00 0.00 57.72 57.97 2asy n HIS 48 Cb 0.49 -3.68 -0.14 0.00 1.12 0.00 0.00 29.99 27.79 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 -5.74 0.64 -0.16 -0.41 2.56 -0.58 -0.36 118.70 114.65 2asy s GLU 49 Ca 0.34 -0.46 -0.04 0.00 0.00 0.00 0.00 54.97 54.81 2asy s GLU 49 Cb -0.15 -0.58 0.05 0.00 2.00 0.00 0.00 34.13 35.46 2asy s GLU 49 CO 0.47 0.15 0.06 0.00 -0.56 0.00 0.00 175.26 175.38 2asy s ALA 50 N -0.57 0.61 0.00 6.30 0.00 0.15 -0.67 121.76 127.59 2asy s ALA 50 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.59 2asy s ALA 50 Cb -0.05 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 22.05 2asy s ALA 50 CO 0.00 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.11 2asy n GLY 51 N 5.20 2.60 0.00 0.00 0.00 -1.01 -2.69 105.19 109.28 2asy n GLY 51 Ca -0.07 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.45 1.36 3.07 -0.02 0.00 -0.72 -4.75 105.19 102.68 2asy n GLY 52 Ca 0.00 0.23 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 1.96 0.03 0.20 -0.61 1.01 -1.26 -0.25 121.20 122.28 2asy s ILE 53 Ca 0.00 -0.27 -0.19 0.00 0.00 0.00 0.00 60.65 60.19 2asy s ILE 53 Cb 0.00 -0.32 0.03 0.00 0.01 0.00 0.00 42.46 42.18 2asy s ILE 53 CO 0.00 -0.15 0.55 -0.72 0.00 0.00 0.00 174.94 174.62 2asy s TYR 54 N -0.49 -0.20 0.11 3.97 1.13 0.44 -4.75 117.35 117.56 2asy s TYR 54 Ca -0.06 -0.14 -0.29 0.00 -1.41 0.00 0.00 57.07 55.18 2asy s TYR 54 Cb -0.04 0.45 -0.06 0.00 -1.10 0.00 0.00 41.96 41.21 2asy s TYR 54 CO 0.01 -0.93 0.92 -0.51 -2.51 0.00 0.00 175.55 172.52 2asy s LEU 55 N -2.86 4.50 0.15 -3.49 1.02 -1.26 -0.68 118.68 116.06 2asy s LEU 55 Ca 0.08 1.73 0.11 0.00 0.02 0.00 0.00 54.13 56.06 2asy s LEU 55 Cb -0.01 -3.51 -0.04 0.00 0.02 0.00 0.00 46.19 42.64 2asy s LEU 55 CO -0.04 -0.03 -0.23 0.12 0.02 0.00 0.00 176.35 176.19 2asy s PHE 56 N -0.10 2.37 0.58 0.29 5.36 0.11 -3.57 117.98 123.02 2asy s PHE 56 Ca 0.45 -0.34 0.31 0.00 -0.96 0.00 0.00 56.93 56.39 2asy s PHE 56 Cb -0.23 -1.24 1.36 0.00 -0.34 0.00 0.00 43.02 42.58 2asy s PHE 56 CO 0.28 0.41 1.69 0.00 -1.46 0.00 0.00 175.22 176.14 2asy h THR 57 N 3.55 0.25 -1.87 0.12 1.03 -1.67 -1.76 112.91 112.55 2asy h THR 57 Ca -0.49 0.00 0.35 0.00 -0.01 0.00 0.00 66.41 66.26 2asy h THR 57 Cb 1.18 0.36 -0.09 0.00 -1.07 0.00 0.00 68.15 68.54 2asy h THR 57 CO 0.44 0.00 0.90 1.51 -0.01 0.00 0.00 175.52 178.36 2asy s ASP 58 N -4.63 -0.01 -0.12 0.00 1.47 -1.26 -0.46 116.67 111.66 2asy s ASP 58 Ca -0.04 -0.16 -0.08 0.00 1.18 0.00 0.00 52.55 53.45 2asy s ASP 58 Cb 0.18 0.13 -0.26 0.00 -0.34 0.00 0.00 42.92 42.63 2asy s ASP 58 CO 0.61 -0.26 0.38 1.05 0.68 0.00 0.00 175.17 177.63 2asy h GLU 59 N 2.00 0.26 -0.66 2.11 -0.00 -1.93 -3.15 114.58 113.22 2asy h GLU 59 Ca -0.25 -0.45 -0.05 0.00 -0.00 0.00 0.00 59.36 58.61 2asy h GLU 59 Cb 1.19 0.17 -0.03 0.00 -0.00 0.00 0.00 28.75 30.08 2asy h GLU 59 CO 0.30 1.22 0.20 1.57 -0.00 0.00 0.00 179.01 182.30 2asy h LYS 60 N 0.03 1.00 0.00 1.06 2.10 -2.00 -2.01 116.57 116.74 2asy h LYS 60 Ca -0.42 -0.20 -0.08 0.00 -2.00 0.00 0.00 60.65 57.96 2asy h LYS 60 Cb 2.01 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 33.17 2asy h LYS 60 CO 0.08 0.86 -0.42 0.77 -2.00 0.00 0.00 179.45 178.75 2asy h SER 61 N 0.97 0.00 0.28 7.07 0.02 -1.98 -3.34 113.55 116.57 2asy h SER 61 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2asy h SER 61 Cb 0.28 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2asy h SER 61 CO -0.01 0.36 -0.28 0.00 -1.14 0.00 0.00 176.83 175.76 2asy h ALA 62 N 1.64 -0.59 0.00 3.77 0.00 -1.32 0.12 119.26 122.89 2asy h ALA 62 Ca -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2asy h ALA 62 Cb 1.28 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 2asy h ALA 62 CO 0.04 -0.86 -0.14 1.37 0.00 0.00 0.00 179.25 179.66 2asy h LEU 63 N -0.59 0.00 -0.21 0.00 -0.00 -1.70 -2.32 115.31 110.49 2asy h LEU 63 Ca -0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.65 2asy h LEU 63 Cb 0.54 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.20 2asy h LEU 63 CO -0.06 0.14 -0.92 0.00 -0.00 0.00 0.00 178.44 177.61 2asy h ALA 64 N 1.86 0.41 0.00 0.17 0.00 -1.56 -3.27 119.26 116.87 2asy h ALA 64 Ca -0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2asy h ALA 64 Cb 0.65 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2asy h ALA 64 CO 0.02 0.84 0.00 0.66 0.00 0.00 0.00 179.25 180.77 2asy n TYR 65 N -3.72 0.66 -0.09 0.00 4.01 0.36 -2.94 117.16 115.44 2asy n TYR 65 Ca -0.06 0.22 0.12 0.00 -0.16 0.00 0.00 57.90 58.02 2asy n TYR 65 Cb 0.82 -0.85 0.50 0.00 -0.31 0.00 0.00 39.34 39.51 2asy n TYR 65 CO 0.00 0.00 0.00 1.37 -0.46 0.00 0.00 176.86 177.77 2asy h LEU 66 N 0.00 0.37 -1.37 7.72 8.10 -1.57 -1.13 115.31 127.42 2asy h LEU 66 Ca 0.00 0.01 0.19 0.00 0.11 0.00 0.00 57.88 58.19 2asy h LEU 66 Cb 0.54 -0.07 -0.08 0.00 -0.44 0.00 0.00 40.66 40.62 2asy h LEU 66 CO 0.00 0.22 0.60 -0.08 -4.11 0.00 0.00 178.44 175.07 2asy h GLU 67 N 0.41 0.51 -0.71 0.17 4.81 -1.76 0.53 114.58 118.52 2asy h GLU 67 Ca 0.29 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 2asy h GLU 67 Cb 0.57 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 2asy h GLU 67 CO -0.08 0.33 0.41 0.87 -0.73 0.00 0.00 179.01 179.81 2asy h LYS 68 N 0.52 0.98 0.14 1.92 6.56 -1.42 0.23 116.57 125.50 2asy h LYS 68 Ca 0.49 -0.10 -0.27 0.00 -1.06 0.00 0.00 60.65 59.71 2asy h LYS 68 Cb 1.07 -0.20 0.01 0.00 -0.57 0.00 0.00 32.23 32.54 2asy h LYS 68 CO -0.23 0.72 -1.32 0.45 -2.06 0.00 0.00 179.45 177.01 2asy h HIS 69 N 0.98 0.55 -0.74 -1.35 3.86 -0.97 -3.32 115.15 114.14 2asy h HIS 69 Ca 0.25 -0.40 0.12 0.00 -1.16 0.00 0.00 60.37 59.18 2asy h HIS 69 Cb 0.01 -0.02 -0.08 0.00 1.06 0.00 0.00 27.41 28.37 2asy h HIS 69 CO -0.01 1.51 0.34 1.15 0.86 0.00 0.00 177.93 181.79 2asy h THR 70 N -0.23 0.75 -0.20 2.45 2.02 0.02 -1.15 112.91 116.58 2asy h THR 70 Ca -0.27 -0.18 0.06 0.00 0.77 0.00 0.00 66.41 66.79 2asy h THR 70 Cb 1.81 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 2asy h THR 70 CO 0.11 0.10 0.30 0.00 0.37 0.00 0.00 175.52 176.40 2asy h ALA 71 N 1.49 1.74 0.00 6.16 0.00 -0.64 0.50 119.26 128.52 2asy h ALA 71 Ca 0.39 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.17 2asy h ALA 71 Cb 0.51 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2asy h ALA 71 CO -0.34 -0.40 -0.73 0.00 0.00 0.00 0.00 179.25 177.78 2asy h ARG 72 N 0.00 0.00 0.00 0.00 -0.00 -1.38 -3.32 114.38 109.68 2asy h ARG 72 Ca 0.09 0.00 -0.13 0.00 -0.50 0.00 0.00 59.98 59.45 2asy h ARG 72 Cb 0.69 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.64 2asy h ARG 72 CO -0.00 0.86 -0.61 1.37 0.00 0.00 0.00 179.97 181.59 2asy h LEU 73 N -1.00 0.00 -1.24 3.04 8.10 -0.89 0.17 115.31 123.49 2asy h LEU 73 Ca -0.19 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.73 2asy h LEU 73 Cb 1.07 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.28 2asy h LEU 73 CO -0.12 0.61 -0.21 0.07 -4.11 0.00 0.00 178.44 174.68 2asy h LYS 74 N 0.00 0.25 0.00 0.17 2.10 -0.22 0.36 116.57 119.23 2asy h LYS 74 Ca -0.01 -0.07 -0.11 0.00 -2.00 0.00 0.00 60.65 58.46 2asy h LYS 74 Cb 1.15 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 32.43 2asy h LYS 74 CO 0.08 0.46 -0.59 -0.91 -2.00 0.00 0.00 179.45 176.49 2asy h ASN 75 N 0.23 0.00 0.00 7.07 2.35 -1.55 -3.42 115.58 120.25 2asy h ASN 75 Ca 0.04 -0.73 0.00 0.00 -0.55 0.00 0.00 56.30 55.06 2asy h ASN 75 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 2asy h ASN 75 CO 0.03 1.21 0.00 0.00 -1.65 0.00 0.00 177.43 177.02 2asy n LEU 76 N -4.53 0.61 0.00 1.61 -0.00 0.55 -5.03 117.00 110.21 2asy n LEU 76 Ca -0.20 -0.77 0.00 0.00 -0.00 0.00 0.00 56.01 55.04 2asy n LEU 76 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2asy n LEU 76 CO 0.26 0.15 0.00 0.61 -0.00 0.00 0.00 177.39 178.41 2asy n GLY 77 N 0.33 0.38 0.00 1.47 0.00 0.12 -4.83 105.19 102.67 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 -0.99 -4.64 118.33 117.45 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 -0.04 0.00 0.00 -1.06 0.00 0.00 33.84 32.74 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 -0.22 0.00 -3.47 1.45 1.02 -1.26 -4.92 120.64 113.24 2asy n GLU 79 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 2asy n GLU 79 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 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 1.08 0.08 3.49 0.41 -1.26 -4.69 118.70 117.81 2asy s GLU 80 Ca 0.00 -0.25 -0.30 0.00 -0.41 0.00 0.00 54.97 54.01 2asy s GLU 80 Cb 0.00 0.50 -0.05 0.00 -1.78 0.00 0.00 34.13 32.80 2asy s GLU 80 CO 0.00 -0.44 1.05 0.08 -0.49 0.00 0.00 175.26 175.45 2asy s VAL 81 N -2.94 4.40 -0.64 2.63 1.01 -1.26 -4.66 120.40 118.94 2asy s VAL 81 Ca -0.00 1.85 -0.17 0.00 0.00 0.00 0.00 61.98 63.65 2asy s VAL 81 Cb -0.01 -4.18 0.13 0.00 0.00 0.00 0.00 36.38 32.32 2asy s VAL 81 CO -0.07 0.21 0.69 -0.69 0.00 0.00 0.00 175.10 175.25 2asy s VAL 82 N 0.51 5.03 -0.23 2.92 1.01 0.79 -4.95 120.40 125.48 2asy s VAL 82 Ca 0.52 -1.39 0.01 0.00 0.00 0.00 0.00 61.98 61.12 2asy s VAL 82 Cb -0.25 -4.47 0.05 0.00 0.00 0.00 0.00 36.38 31.71 2asy s VAL 82 CO 0.30 -1.07 -0.09 0.00 0.00 0.00 0.00 175.10 174.24 2asy s ALA 83 N 2.02 2.12 -0.02 5.51 0.00 -1.24 -1.57 121.76 128.57 2asy s ALA 83 Ca 0.12 -1.40 -0.03 0.00 0.00 0.00 0.00 51.96 50.65 2asy s ALA 83 Cb -0.22 -1.41 0.01 0.00 0.00 0.00 0.00 23.12 21.49 2asy s ALA 83 CO 0.02 -1.05 0.07 0.15 0.00 0.00 0.00 175.76 174.95 2asy s LYS 84 N 1.33 0.12 -0.40 0.00 1.02 -0.42 -4.85 119.74 116.54 2asy s LYS 84 Ca -0.05 0.03 -0.13 0.00 0.02 0.00 0.00 55.97 55.84 2asy s LYS 84 Cb -0.18 0.05 0.03 0.00 -0.52 0.00 0.00 37.83 37.21 2asy s LYS 84 CO -0.07 -0.02 0.27 0.08 -0.92 0.00 0.00 175.35 174.69 2asy s VAL 85 N -0.13 4.91 0.57 3.17 1.01 -1.26 -0.35 120.40 128.33 2asy s VAL 85 Ca -0.02 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.17 2asy s VAL 85 Cb -0.01 -3.77 0.06 0.00 0.00 0.00 0.00 36.38 32.65 2asy s VAL 85 CO 0.00 -0.32 0.79 0.72 0.00 0.00 0.00 175.10 176.29 2asy s PHE 86 N 1.61 2.28 -0.05 5.22 -0.71 -1.26 -5.05 117.98 120.02 2asy s PHE 86 Ca 0.03 -0.29 0.01 0.00 -1.04 0.00 0.00 56.93 55.65 2asy s PHE 86 Cb -0.20 -2.64 0.02 0.00 -1.21 0.00 0.00 43.02 39.00 2asy s PHE 86 CO 0.08 -1.03 -0.06 -0.51 -1.34 0.00 0.00 175.22 172.36 2asy s ASP 87 N -4.53 1.14 -0.37 1.98 1.01 -1.26 -4.92 116.67 109.71 2asy s ASP 87 Ca 0.60 -0.16 -0.23 0.00 0.71 0.00 0.00 52.55 53.47 2asy s ASP 87 Cb -0.08 -0.53 0.01 0.00 1.01 0.00 0.00 42.92 43.33 2asy s ASP 87 CO 0.39 -0.04 0.78 0.68 0.21 0.00 0.00 175.17 177.19 2asy s VAL 88 N 0.90 4.73 -0.15 -1.27 -7.23 -1.26 -5.02 120.40 111.11 2asy s VAL 88 Ca -0.11 0.82 -0.23 0.00 -1.81 0.00 0.00 61.98 60.65 2asy s VAL 88 Cb -0.15 -4.22 -0.02 0.00 0.56 0.00 0.00 36.38 32.55 2asy s VAL 88 CO 0.01 -0.46 0.73 0.54 -0.31 0.00 0.00 175.10 175.60 2asy s ASN 89 N 1.87 6.88 0.44 4.85 4.22 -1.26 -4.98 114.94 126.97 2asy s ASN 89 Ca 0.31 1.07 0.19 0.00 -2.14 0.00 0.00 52.86 52.29 2asy s ASN 89 Cb -0.13 -2.41 1.04 0.00 1.28 0.00 0.00 41.25 41.04 2asy s ASN 89 CO 0.17 -0.28 1.95 -0.33 -2.04 0.00 0.00 177.10 176.57 2asy h GLU 90 N 7.21 0.00 -0.98 3.55 5.08 -2.02 -3.26 114.58 124.16 2asy h GLU 90 Ca -0.33 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.18 2asy h GLU 90 Cb 1.15 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.31 2asy h GLU 90 CO 0.79 0.23 0.60 -1.00 -1.00 0.00 0.00 179.01 178.63 2asy h PRO 91 N 0.00 0.83 -0.15 2.33 0.13 -2.05 -1.34 132.00 131.75 2asy h PRO 91 Ca -0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2asy h PRO 91 Cb 0.48 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.42 2asy h PRO 91 CO 0.03 0.55 0.00 1.28 -0.23 0.00 0.00 178.00 179.63 2asy n LEU 92 N -4.71 1.40 0.25 1.56 4.77 -1.23 -3.81 117.00 115.22 2asy n LEU 92 Ca 0.20 -0.60 0.16 0.00 -0.03 0.00 0.00 56.01 55.75 2asy n LEU 92 Cb 0.44 -0.10 0.65 0.00 -2.33 0.00 0.00 43.42 42.09 2asy n LEU 92 CO 0.24 0.30 0.97 0.77 -1.33 0.00 0.00 177.39 178.34 2asy h SER 93 N 1.81 0.00 0.73 -1.43 4.64 -1.41 -2.20 113.55 115.68 2asy h SER 93 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2asy h SER 93 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2asy h SER 93 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2asy n GLN 94 N -2.90 0.16 -0.08 4.77 6.02 -1.25 -1.67 117.38 122.44 2asy n GLN 94 Ca 0.01 0.04 0.09 0.00 -0.01 0.00 0.00 57.00 57.13 2asy n GLN 94 Cb 0.28 -1.50 0.12 0.00 1.02 0.00 0.00 30.24 30.17 2asy n GLN 94 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2asy n ILE 95 N -1.41 0.30 0.75 5.09 -0.00 -0.83 -4.27 119.36 118.99 2asy n ILE 95 Ca 0.09 -0.65 0.10 0.00 -0.00 0.00 0.00 62.75 62.29 2asy n ILE 95 Cb 0.27 1.10 -0.13 0.00 -0.00 0.00 0.00 39.64 40.88 2asy n ILE 95 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 2asy n ASN 96 N 1.00 0.75 -1.48 4.38 2.85 -0.67 -4.64 115.26 117.45 2asy n ASN 96 Ca 0.12 -0.74 -0.06 0.00 -0.11 0.00 0.00 54.58 53.79 2asy n ASN 96 Cb 0.46 1.23 0.02 0.00 1.24 0.00 0.00 39.78 42.73 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 -1.69 1.30 0.00 1.20 6.02 -1.20 -3.48 117.38 119.53 2asy n GLN 97 Ca 0.02 -0.63 0.00 0.00 -0.01 0.00 0.00 57.00 56.38 2asy n GLN 97 Cb 0.39 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.40 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 0.64 0.00 0.09 -1.58 0.00 -1.26 -4.18 120.51 114.23 2asy n ALA 98 Ca 0.12 -0.15 -0.19 0.00 0.00 0.00 0.00 53.44 53.22 2asy n ALA 98 Cb 0.62 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.96 2asy n ALA 98 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2asy h LYS 99 N 0.00 0.48 -1.28 0.00 1.79 -1.97 -3.26 116.57 112.33 2asy h LYS 99 Ca 0.00 -0.65 -0.35 0.00 -2.18 0.00 0.00 60.65 57.47 2asy h LYS 99 Cb 0.00 0.22 -0.17 0.00 -1.58 0.00 0.00 32.23 30.70 2asy h LYS 99 CO 0.00 1.27 0.45 1.28 -1.08 0.00 0.00 179.45 181.37 2asy n LEU 100 N -3.71 6.09 0.00 2.94 4.77 -1.23 -5.23 117.00 120.63 2asy n LEU 100 Ca -0.11 -3.17 0.14 0.00 -0.03 0.00 0.00 56.01 52.85 2asy n LEU 100 Cb 0.96 -0.92 0.85 0.00 -2.33 0.00 0.00 43.42 41.99 2asy n LEU 100 CO 0.55 1.10 1.02 0.00 -1.33 0.00 0.00 177.39 178.74