#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 -0.66 -1.94 -5.12 0.00 -1.25 -5.00 120.51 106.53 2asy n ALA 2 Ca 0.00 0.20 -0.41 0.00 0.00 0.00 0.00 53.44 53.23 2asy n ALA 2 Cb 0.00 -2.88 -0.03 0.00 0.00 0.00 0.00 19.45 16.53 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 -2.99 3.27 -0.25 0.00 2.01 -0.94 -4.84 115.64 111.89 2asy s THR 3 Ca 0.23 1.12 -0.11 0.00 0.31 0.00 0.00 61.69 63.23 2asy s THR 3 Cb -0.10 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.65 2asy s THR 3 CO 0.28 0.20 0.20 -0.22 -0.69 0.00 0.00 174.62 174.39 2asy s LEU 4 N -0.65 4.08 0.09 4.42 2.96 -1.26 -0.04 118.68 128.28 2asy s LEU 4 Ca 0.52 0.11 0.07 0.00 -0.22 0.00 0.00 54.13 54.61 2asy s LEU 4 Cb -0.35 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 2asy s LEU 4 CO 0.41 0.00 -0.17 -1.48 -1.32 0.00 0.00 176.35 173.79 2asy s LEU 5 N 1.36 2.29 -0.19 -0.68 2.34 0.79 -4.12 118.68 120.47 2asy s LEU 5 Ca 0.09 -0.66 -0.20 0.00 0.06 0.00 0.00 54.13 53.42 2asy s LEU 5 Cb -0.15 -0.68 -0.03 0.00 -0.56 0.00 0.00 46.19 44.77 2asy s LEU 5 CO 0.07 -0.02 0.57 -1.10 -1.06 0.00 0.00 176.35 174.81 2asy s GLN 6 N -1.87 4.21 -0.27 1.48 -0.21 0.24 -0.52 119.66 122.72 2asy s GLN 6 Ca 0.02 0.51 -0.02 0.00 0.02 0.00 0.00 55.36 55.89 2asy s GLN 6 Cb -0.10 -3.56 0.12 0.00 1.00 0.00 0.00 33.01 30.47 2asy s GLN 6 CO 0.03 -0.18 0.26 -1.17 -2.12 0.00 0.00 175.29 172.11 2asy s LEU 7 N 1.72 -0.13 0.14 2.90 1.98 0.74 -1.49 118.68 124.55 2asy s LEU 7 Ca 0.26 -0.66 -0.18 0.00 -2.89 0.00 0.00 54.13 50.66 2asy s LEU 7 Cb -0.16 0.40 0.05 0.00 0.66 0.00 0.00 46.19 47.14 2asy s LEU 7 CO 0.10 -0.38 0.48 -1.38 -1.89 0.00 0.00 176.35 173.28 2asy s HIS 8 N 2.33 -0.31 0.33 5.38 -3.43 -0.53 -1.35 115.29 117.71 2asy s HIS 8 Ca 0.09 0.03 0.01 0.00 -0.80 0.00 0.00 55.06 54.38 2asy s HIS 8 Cb -0.15 0.37 -0.01 0.00 -1.43 0.00 0.00 32.58 31.36 2asy s HIS 8 CO -0.28 -0.77 0.39 -0.59 -2.00 0.00 0.00 174.74 171.49 2asy s PHE 9 N -3.79 1.31 0.36 0.38 -0.71 -0.21 -0.06 117.98 115.27 2asy s PHE 9 Ca 0.03 -1.43 -0.25 0.00 -1.04 0.00 0.00 56.93 54.24 2asy s PHE 9 Cb 0.01 -0.33 -0.10 0.00 -1.21 0.00 0.00 43.02 41.39 2asy s PHE 9 CO -0.12 -1.02 0.97 0.00 -1.34 0.00 0.00 175.22 173.72 2asy s ALA 10 N -3.25 3.15 0.74 1.99 0.00 -1.26 -0.16 121.76 122.97 2asy s ALA 10 Ca 0.35 0.54 -0.11 0.00 0.00 0.00 0.00 51.96 52.73 2asy s ALA 10 Cb 0.01 -3.20 0.04 0.00 0.00 0.00 0.00 23.12 19.97 2asy s ALA 10 CO 0.23 0.08 1.08 0.12 0.00 0.00 0.00 175.76 177.26 2asy s PHE 11 N -1.74 2.99 -0.90 0.00 5.36 -0.12 -3.67 117.98 119.91 2asy s PHE 11 Ca 0.54 1.27 -0.01 0.00 -0.96 0.00 0.00 56.93 57.77 2asy s PHE 11 Cb -0.17 -3.00 0.00 0.00 -0.34 0.00 0.00 43.02 39.50 2asy s PHE 11 CO 0.22 -1.49 0.09 -1.71 -1.46 0.00 0.00 175.22 170.88 2asy n ASN 12 N -3.27 -3.68 -0.00 6.13 2.85 -1.26 -4.78 115.26 111.25 2asy n ASN 12 Ca 0.07 -0.05 -0.00 0.00 -0.11 0.00 0.00 54.58 54.49 2asy n ASN 12 Cb 0.55 -2.82 -0.00 0.00 1.24 0.00 0.00 39.78 38.75 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 -1.05 -0.47 3.97 8.20 0.00 -1.24 -4.55 105.19 110.05 2asy n GLY 13 Ca -0.11 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.09 1.85 0.42 1.61 0.04 -1.26 -3.87 135.00 132.70 2asy s PRO 14 Ca -0.01 -0.77 0.08 0.00 0.04 0.00 0.00 61.00 60.34 2asy s PRO 14 Cb 0.00 -2.27 0.90 0.00 0.04 0.00 0.00 34.50 33.18 2asy s PRO 14 CO 0.02 -1.37 2.06 0.74 0.04 0.00 0.00 177.00 178.50 2asy h PHE 15 N -0.55 0.44 0.00 0.56 0.04 -1.98 -3.47 116.94 111.98 2asy h PHE 15 Ca -0.40 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.37 2asy h PHE 15 Cb 1.28 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.28 2asy h PHE 15 CO -0.07 0.29 0.00 0.41 -0.60 0.00 0.00 178.31 178.34 2asy n GLY 16 N -1.45 3.95 0.33 -1.45 0.00 -1.26 -4.72 105.19 100.59 2asy n GLY 16 Ca 0.02 -0.73 0.16 0.00 0.00 0.00 0.00 46.02 45.47 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 0.34 0.00 -1.07 1.61 5.19 -1.95 0.72 116.42 121.25 2asy h ASP 17 Ca 0.00 0.00 0.29 0.00 -0.62 0.00 0.00 57.03 56.70 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 0.68 0.00 -3.12 0.00 0.00 179.24 176.80 2asy h ALA 18 N 1.82 2.26 0.00 3.45 0.00 -1.93 0.46 119.26 125.32 2asy h ALA 18 Ca 0.13 0.08 -0.43 0.00 0.00 0.00 0.00 54.91 54.69 2asy h ALA 18 Cb 0.57 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 2asy h ALA 18 CO -0.00 -0.71 -2.41 -1.33 0.00 0.00 0.00 179.25 174.79 2asy n MET 19 N -4.67 0.57 0.01 0.00 2.81 0.12 -1.36 117.12 114.59 2asy n MET 19 Ca 0.27 0.25 0.21 0.00 -1.81 0.00 0.00 57.70 56.63 2asy n MET 19 Cb 0.95 -1.46 0.72 0.00 -0.71 0.00 0.00 33.22 32.72 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 -0.97 2.42 0.00 3.04 0.00 -0.96 -3.14 119.26 119.65 2asy h ALA 20 Ca -0.64 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2asy h ALA 20 Cb 1.56 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2asy h ALA 20 CO -0.39 -0.70 -0.13 -1.91 0.00 0.00 0.00 179.25 176.12 2asy n GLU 21 N -4.17 0.00 0.11 0.00 2.13 0.79 -4.87 120.64 114.63 2asy n GLU 21 Ca 0.10 0.00 0.09 0.00 0.66 0.00 0.00 57.16 58.01 2asy n GLU 21 Cb 0.65 -0.12 0.43 0.00 0.27 0.00 0.00 31.44 32.67 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 -3.02 0.12 0.15 5.31 1.13 0.13 -0.63 117.38 120.56 2asy n GLN 22 Ca 0.00 0.52 0.00 0.00 -1.94 0.00 0.00 57.00 55.59 2asy n GLN 22 Cb 0.06 -1.81 0.21 0.00 0.11 0.00 0.00 30.24 28.81 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 0.71 1.08 7.12 -1.16 -0.80 115.31 122.25 2asy h LEU 23 Ca 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.98 2asy h LEU 23 Cb 0.11 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.25 2asy h LEU 23 CO 0.00 0.56 -0.34 0.50 -0.13 0.00 0.00 178.44 179.03 2asy h LYS 24 N 0.00 -0.91 0.00 1.25 1.63 -1.10 -2.75 116.57 114.68 2asy h LYS 24 Ca -0.01 0.06 -0.14 0.00 -0.85 0.00 0.00 60.65 59.71 2asy h LYS 24 Cb 1.03 0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 32.85 2asy h LYS 24 CO 0.07 -0.61 -1.21 -1.00 -3.45 0.00 0.00 179.45 173.25 2asy h PRO 25 N -0.96 0.00 -0.14 1.90 0.13 -1.72 -3.38 132.00 127.83 2asy h PRO 25 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2asy h PRO 25 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2asy h PRO 25 CO 0.16 0.30 0.00 1.28 -0.23 0.00 0.00 178.00 179.51 2asy n LEU 26 N -2.93 2.20 -0.24 1.56 4.77 -0.31 -4.78 117.00 117.28 2asy n LEU 26 Ca -0.07 -1.51 -0.04 0.00 -0.03 0.00 0.00 56.01 54.36 2asy n LEU 26 Cb 0.80 -0.09 0.02 0.00 -2.33 0.00 0.00 43.42 41.82 2asy n LEU 26 CO 0.42 0.51 0.64 0.00 -1.33 0.00 0.00 177.39 177.63 2asy h ALA 27 N 1.57 0.06 0.00 -1.18 0.00 -1.48 0.51 119.26 118.74 2asy h ALA 27 Ca 0.00 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2asy h ALA 27 Cb 0.51 0.78 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2asy h ALA 27 CO 0.00 -0.63 -0.00 1.05 0.00 0.00 0.00 179.25 179.67 2asy h GLU 28 N -0.12 0.00 0.00 0.00 4.11 -1.86 0.58 114.58 117.30 2asy h GLU 28 Ca 0.27 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.40 2asy h GLU 28 Cb 0.56 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 2asy h GLU 28 CO -0.73 0.00 -1.85 0.43 0.07 0.00 0.00 179.01 176.93 2asy n SER 29 N -3.11 1.92 -0.07 3.06 7.64 0.11 -3.75 113.62 119.43 2asy n SER 29 Ca -0.02 0.38 -0.13 0.00 1.01 0.00 0.00 58.87 60.11 2asy n SER 29 Cb 0.13 -0.84 -0.12 0.00 -1.01 0.00 0.00 64.21 62.37 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 1.67 0.04 0.44 -0.00 -0.11 -3.35 117.51 115.20 2asy h ILE 30 Ca -0.45 -2.22 -0.29 0.00 -0.00 0.00 0.00 64.86 61.90 2asy h ILE 30 Cb 1.36 3.14 -0.03 0.00 -0.00 0.00 0.00 36.82 41.29 2asy h ILE 30 CO -0.27 0.56 -1.57 -1.13 -0.00 0.00 0.00 178.15 175.74 2asy h ASN 31 N -0.98 0.12 -5.61 2.16 -1.24 -1.23 -3.48 115.58 105.32 2asy h ASN 31 Ca -0.00 -0.21 -0.38 0.00 0.71 0.00 0.00 56.30 56.42 2asy h ASN 31 Cb 0.92 -0.04 0.13 0.00 0.73 0.00 0.00 38.32 40.06 2asy h ASN 31 CO 0.00 1.18 -0.65 1.67 -1.29 0.00 0.00 177.43 178.34 2asy n GLN 32 N -3.23 -7.60 -4.04 6.67 7.27 0.19 -4.26 117.38 112.37 2asy n GLN 32 Ca -0.15 0.79 -0.25 0.00 0.07 0.00 0.00 57.00 57.46 2asy n GLN 32 Cb 1.03 -5.73 -0.04 0.00 2.41 0.00 0.00 30.24 27.91 2asy n GLN 32 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 2asy s GLU 33 N -6.24 3.10 -0.04 3.69 1.03 -1.25 -4.96 118.70 114.03 2asy s GLU 33 Ca 0.55 -0.81 -0.06 0.00 0.03 0.00 0.00 54.97 54.69 2asy s GLU 33 Cb -0.24 -2.75 -0.03 0.00 -0.80 0.00 0.00 34.13 30.31 2asy s GLU 33 CO 0.69 0.48 0.33 -1.35 -1.33 0.00 0.00 175.26 174.08 2asy h PRO 34 N 2.11 -0.21 0.00 -4.83 0.11 -1.96 -3.41 132.00 123.81 2asy h PRO 34 Ca -0.48 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2asy h PRO 34 Cb 1.21 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2asy h PRO 34 CO 0.64 -0.14 0.00 0.41 -0.21 0.00 0.00 178.00 178.70 2asy n GLY 35 N 1.07 2.04 5.00 -0.55 0.00 -1.26 -4.85 105.19 106.64 2asy n GLY 35 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.08 1.61 3.01 -1.26 -1.23 117.46 119.51 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 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 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 1.83 -3.81 4.37 7.99 -1.26 -4.99 117.00 121.13 2asy n LEU 37 Ca 0.00 0.57 -0.04 0.00 -0.01 0.00 0.00 56.01 56.52 2asy n LEU 37 Cb 0.00 -0.89 0.00 0.00 -0.11 0.00 0.00 43.42 42.42 2asy n LEU 37 CO 0.00 -0.27 0.70 -1.66 -1.51 0.00 0.00 177.39 174.65 2asy s TRP 38 N -2.31 -0.04 0.42 -1.77 1.48 -1.22 -5.03 118.94 110.47 2asy s TRP 38 Ca -0.19 -0.36 0.06 0.00 -1.06 0.00 0.00 56.10 54.55 2asy s TRP 38 Cb 0.03 0.69 -0.06 0.00 -1.16 0.00 0.00 33.47 32.97 2asy s TRP 38 CO 0.32 -1.00 0.06 0.15 -4.06 0.00 0.00 176.95 172.41 2asy s LYS 39 N -2.89 2.05 -0.11 3.25 1.02 -1.26 -4.50 119.74 117.30 2asy s LYS 39 Ca 0.15 -2.08 -0.04 0.00 0.02 0.00 0.00 55.97 54.02 2asy s LYS 39 Cb -0.03 -1.71 -0.04 0.00 -0.52 0.00 0.00 37.83 35.53 2asy s LYS 39 CO 0.05 -0.11 0.04 0.54 -0.92 0.00 0.00 175.35 174.95 2asy s VAL 40 N -2.71 4.61 -0.86 3.17 0.11 -1.26 -4.96 120.40 118.50 2asy s VAL 40 Ca 0.33 -0.13 -0.05 0.00 -2.93 0.00 0.00 61.98 59.21 2asy s VAL 40 Cb 0.07 -2.98 0.22 0.00 -1.53 0.00 0.00 36.38 32.16 2asy s VAL 40 CO 0.17 0.58 0.76 -1.66 -3.33 0.00 0.00 175.10 171.62 2asy s TRP 41 N -0.63 3.83 -0.09 1.54 1.48 -1.26 -4.93 118.94 118.87 2asy s TRP 41 Ca 0.11 -2.76 -0.07 0.00 -1.06 0.00 0.00 56.10 52.32 2asy s TRP 41 Cb -0.12 -3.41 0.03 0.00 -1.16 0.00 0.00 33.47 28.81 2asy s TRP 41 CO 0.02 -0.83 0.24 0.99 -4.06 0.00 0.00 176.95 173.31 2asy s THR 42 N -0.84 -0.02 -0.25 0.66 2.01 -1.26 -4.99 115.64 110.95 2asy s THR 42 Ca 0.24 0.06 -0.10 0.00 0.31 0.00 0.00 61.69 62.21 2asy s THR 42 Cb -0.11 -0.35 0.11 0.00 0.01 0.00 0.00 72.50 72.15 2asy s THR 42 CO -0.09 0.03 0.56 -0.70 -0.69 0.00 0.00 174.62 173.72 2asy s GLU 43 N 0.62 0.49 -0.34 4.92 2.12 -1.26 -2.43 118.70 122.82 2asy s GLU 43 Ca -0.04 1.24 0.03 0.00 0.36 0.00 0.00 54.97 56.55 2asy s GLU 43 Cb -0.05 0.53 0.10 0.00 0.26 0.00 0.00 34.13 34.97 2asy s GLU 43 CO -0.04 -0.21 0.07 -1.54 -0.54 0.00 0.00 175.26 173.01 2asy s SER 44 N 2.53 4.54 0.24 -1.70 1.04 0.22 -4.98 113.70 115.58 2asy s SER 44 Ca -0.05 -2.06 0.04 0.00 0.48 0.00 0.00 55.95 54.36 2asy s SER 44 Cb -0.11 -1.41 0.25 0.00 0.10 0.00 0.00 66.02 64.85 2asy s SER 44 CO -0.17 -0.38 1.56 1.05 0.98 0.00 0.00 173.24 176.29 2asy h GLU 45 N 7.68 0.24 0.00 4.02 4.11 -1.97 0.14 114.58 128.80 2asy h GLU 45 Ca -0.07 -0.16 -0.13 0.00 0.07 0.00 0.00 59.36 59.07 2asy h GLU 45 Cb 1.01 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 2asy h GLU 45 CO 0.51 0.77 -0.83 1.57 0.07 0.00 0.00 179.01 181.10 2asy h LYS 46 N 0.18 0.00 0.10 1.06 -0.00 -1.93 -3.09 116.57 112.88 2asy h LYS 46 Ca -0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 60.65 60.39 2asy h LYS 46 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.33 2asy h LYS 46 CO 0.09 0.44 -1.16 -0.97 -0.00 0.00 0.00 179.45 177.85 2asy h ASN 47 N 0.00 0.40 -2.71 7.07 -0.73 -1.96 -3.48 115.58 114.17 2asy h ASN 47 Ca -0.06 -0.40 -0.06 0.00 1.87 0.00 0.00 56.30 57.65 2asy h ASN 47 Cb 1.46 -0.13 0.03 0.00 0.27 0.00 0.00 38.32 39.95 2asy h ASN 47 CO 0.06 1.29 -0.14 1.41 -0.37 0.00 0.00 177.43 179.68 2asy n HIS 48 N -3.56 -0.40 -3.99 0.67 8.25 0.37 -4.98 115.22 111.59 2asy n HIS 48 Ca -0.07 0.17 -0.09 0.00 -0.26 0.00 0.00 57.72 57.46 2asy n HIS 48 Cb 0.98 -2.57 -0.11 0.00 1.12 0.00 0.00 29.99 29.41 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 -4.17 0.33 -0.13 -0.41 2.12 -0.47 -0.95 118.70 115.02 2asy s GLU 49 Ca 0.01 -0.63 -0.05 0.00 0.36 0.00 0.00 54.97 54.65 2asy s GLU 49 Cb -0.00 0.10 0.06 0.00 0.26 0.00 0.00 34.13 34.55 2asy s GLU 49 CO 0.13 -0.05 0.26 0.00 -0.54 0.00 0.00 175.26 175.06 2asy s ALA 50 N -1.53 -0.55 0.00 6.30 0.00 0.77 -0.61 121.76 126.15 2asy s ALA 50 Ca -0.15 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2asy s ALA 50 Cb -0.09 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.06 2asy s ALA 50 CO -0.01 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.58 2asy n GLY 51 N 5.21 2.68 0.00 0.00 0.00 -1.02 -1.04 105.19 111.01 2asy n GLY 51 Ca -0.09 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.06 3.53 2.98 -0.02 0.00 -0.46 -4.71 105.19 105.45 2asy n GLY 52 Ca 0.00 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 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 2.17 1.08 0.24 -0.61 -1.09 -1.26 -0.18 121.20 121.55 2asy s ILE 53 Ca 0.00 -0.41 -0.09 0.00 -2.23 0.00 0.00 60.65 57.92 2asy s ILE 53 Cb 0.00 -1.03 -0.01 0.00 -1.58 0.00 0.00 42.46 39.84 2asy s ILE 53 CO 0.00 0.36 0.39 -0.72 -1.23 0.00 0.00 174.94 173.73 2asy s TYR 54 N 1.02 0.59 -0.04 3.97 1.13 0.32 -4.92 117.35 119.42 2asy s TYR 54 Ca -0.08 -0.91 -0.25 0.00 -1.41 0.00 0.00 57.07 54.42 2asy s TYR 54 Cb -0.15 -0.02 -0.04 0.00 -1.10 0.00 0.00 41.96 40.66 2asy s TYR 54 CO -0.01 -0.90 0.76 -0.51 -2.51 0.00 0.00 175.55 172.38 2asy s LEU 55 N -3.06 4.34 0.10 -3.49 1.02 -1.26 -0.15 118.68 116.18 2asy s LEU 55 Ca 0.27 1.30 0.08 0.00 0.02 0.00 0.00 54.13 55.81 2asy s LEU 55 Cb 0.01 -3.19 -0.04 0.00 0.02 0.00 0.00 46.19 42.99 2asy s LEU 55 CO 0.10 -0.13 -0.16 0.12 0.02 0.00 0.00 176.35 176.29 2asy s PHE 56 N 0.78 2.58 0.45 0.29 5.36 0.94 -3.44 117.98 124.93 2asy s PHE 56 Ca 0.40 -0.24 0.36 0.00 -0.96 0.00 0.00 56.93 56.50 2asy s PHE 56 Cb -0.19 -1.38 1.48 0.00 -0.34 0.00 0.00 43.02 42.59 2asy s PHE 56 CO 0.20 0.37 1.46 -2.37 -1.46 0.00 0.00 175.22 173.43 2asy n THR 57 N 0.89 -0.15 -3.59 0.12 5.66 -0.36 -2.22 114.28 114.63 2asy n THR 57 Ca -0.15 1.58 0.02 0.00 -3.05 0.00 0.00 64.05 62.45 2asy n THR 57 Cb 0.53 -2.61 -0.01 0.00 -1.55 0.00 0.00 70.33 66.69 2asy n THR 57 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2asy s ASP 58 N -4.14 -0.03 0.04 1.09 1.47 -1.26 -0.44 116.67 113.40 2asy s ASP 58 Ca -0.06 -0.05 0.05 0.00 1.18 0.00 0.00 52.55 53.66 2asy s ASP 58 Cb 0.28 0.08 -0.24 0.00 -0.34 0.00 0.00 42.92 42.69 2asy s ASP 58 CO 0.79 -0.14 0.98 1.05 0.68 0.00 0.00 175.17 178.53 2asy h GLU 59 N 2.00 0.09 -0.43 2.11 4.11 -1.93 -2.98 114.58 117.55 2asy h GLU 59 Ca -0.27 -0.16 -0.12 0.00 0.07 0.00 0.00 59.36 58.88 2asy h GLU 59 Cb 1.19 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2asy h GLU 59 CO 0.28 0.92 -0.20 1.57 0.07 0.00 0.00 179.01 181.64 2asy h LYS 60 N 0.02 0.90 0.00 1.06 2.10 -1.99 -2.90 116.57 115.76 2asy h LYS 60 Ca -0.16 -0.39 -0.13 0.00 -2.00 0.00 0.00 60.65 57.98 2asy h LYS 60 Cb 1.92 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 33.20 2asy h LYS 60 CO 0.13 1.04 -0.60 0.77 -2.00 0.00 0.00 179.45 178.79 2asy h SER 61 N 0.72 0.00 0.11 7.07 0.02 -1.98 -3.32 113.55 116.17 2asy h SER 61 Ca 0.10 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.07 2asy h SER 61 Cb 0.76 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.26 2asy h SER 61 CO 0.06 0.60 -0.33 0.00 -1.14 0.00 0.00 176.83 176.02 2asy h ALA 62 N 1.40 -0.57 0.00 3.77 0.00 -1.34 0.33 119.26 122.85 2asy h ALA 62 Ca -0.01 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2asy h ALA 62 Cb 1.38 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 19.71 2asy h ALA 62 CO 0.08 -0.88 -0.51 1.37 0.00 0.00 0.00 179.25 179.31 2asy h LEU 63 N -0.55 0.00 -0.74 0.00 -0.00 -1.71 -2.60 115.31 109.71 2asy h LEU 63 Ca 0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.78 2asy h LEU 63 Cb 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.24 2asy h LEU 63 CO -0.20 0.51 -0.56 0.00 -0.00 0.00 0.00 178.44 178.19 2asy h ALA 64 N 1.49 0.93 -0.00 0.17 0.00 -1.52 -3.02 119.26 117.32 2asy h ALA 64 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2asy h ALA 64 Cb 1.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2asy h ALA 64 CO 0.07 0.70 -0.10 0.66 0.00 0.00 0.00 179.25 180.57 2asy n TYR 65 N -3.90 0.00 -0.26 0.00 4.02 0.11 -3.48 117.16 113.64 2asy n TYR 65 Ca -0.02 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.89 2asy n TYR 65 Cb 0.58 -0.42 0.24 0.00 -0.02 0.00 0.00 39.34 39.73 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 0.03 0.88 -1.23 7.72 8.10 -1.36 -1.03 115.31 128.42 2asy h LEU 66 Ca 0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 57.88 57.98 2asy h LEU 66 Cb 0.47 -0.20 -0.04 0.00 -0.44 0.00 0.00 40.66 40.46 2asy h LEU 66 CO 0.00 0.60 0.44 -0.08 -4.11 0.00 0.00 178.44 175.29 2asy h GLU 67 N 1.02 0.96 0.32 0.17 4.22 -1.76 0.35 114.58 119.87 2asy h GLU 67 Ca 0.33 -0.08 -0.01 0.00 0.08 0.00 0.00 59.36 59.69 2asy h GLU 67 Cb 0.05 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2asy h GLU 67 CO -0.10 0.66 -0.22 -0.22 -2.18 0.00 0.00 179.01 176.95 2asy h LYS 68 N 0.98 -0.52 -0.28 1.92 1.63 -1.37 0.63 116.57 119.56 2asy h LYS 68 Ca 0.26 0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 60.05 2asy h LYS 68 Cb -0.06 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 2asy h LYS 68 CO -0.05 -0.34 0.02 0.45 -3.45 0.00 0.00 179.45 176.08 2asy h HIS 69 N -0.53 0.52 -0.70 1.91 3.86 -0.99 -2.69 115.15 116.52 2asy h HIS 69 Ca -0.03 -0.08 0.03 0.00 -1.16 0.00 0.00 60.37 59.13 2asy h HIS 69 Cb 0.45 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.75 2asy h HIS 69 CO -0.11 0.61 0.46 1.15 0.86 0.00 0.00 177.93 180.90 2asy h THR 70 N 0.29 1.11 0.00 2.45 2.02 -0.18 -2.78 112.91 115.81 2asy h THR 70 Ca 0.08 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.97 2asy h THR 70 Cb 0.39 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2asy h THR 70 CO 0.01 0.16 0.29 0.00 0.37 0.00 0.00 175.52 176.35 2asy h ALA 71 N 1.59 1.25 0.00 6.16 0.00 0.64 0.74 119.26 129.64 2asy h ALA 71 Ca 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 2asy h ALA 71 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2asy h ALA 71 CO -0.08 -0.25 -0.92 0.00 0.00 0.00 0.00 179.25 178.00 2asy h ARG 72 N 0.00 0.00 0.00 0.00 -0.00 -1.63 -3.39 114.38 109.36 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 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.55 2asy h ARG 72 CO 0.00 0.61 -0.47 1.37 0.00 0.00 0.00 179.97 181.48 2asy h LEU 73 N -1.00 0.00 -1.53 3.04 8.10 -1.08 -1.35 115.31 121.49 2asy h LEU 73 Ca -0.20 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.75 2asy h LEU 73 Cb 0.97 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.18 2asy h LEU 73 CO -0.12 0.47 -0.06 0.07 -4.11 0.00 0.00 178.44 174.68 2asy h LYS 74 N 0.00 0.23 0.00 0.17 2.10 0.25 0.41 116.57 119.73 2asy h LYS 74 Ca -0.00 -0.04 -0.09 0.00 -2.00 0.00 0.00 60.65 58.52 2asy h LYS 74 Cb 1.34 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.62 2asy h LYS 74 CO 0.06 0.30 -0.56 -0.91 -2.00 0.00 0.00 179.45 176.35 2asy h ASN 75 N 0.22 0.00 -0.00 7.07 2.35 -1.70 -3.43 115.58 120.09 2asy h ASN 75 Ca 0.05 -0.51 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 2asy h ASN 75 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2asy h ASN 75 CO 0.01 1.08 -0.07 0.00 -1.65 0.00 0.00 177.43 176.80 2asy n LEU 76 N -4.57 0.24 0.00 1.61 -0.00 -0.53 -4.99 117.00 108.77 2asy n LEU 76 Ca -0.17 -0.57 0.00 0.00 -0.00 0.00 0.00 56.01 55.27 2asy n LEU 76 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 2asy n LEU 76 CO 0.20 0.06 0.00 0.61 -0.00 0.00 0.00 177.39 178.25 2asy n GLY 77 N 0.90 -0.05 0.00 1.47 0.00 0.12 -4.85 105.19 102.78 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 0.14 -4.40 118.33 118.82 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 -3.65 1.45 1.02 -1.26 -4.78 120.64 113.42 2asy n GLU 79 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 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 1.05 0.17 3.49 2.02 -1.26 -4.00 118.70 120.16 2asy s GLU 80 Ca 0.00 -0.70 -0.28 0.00 0.02 0.00 0.00 54.97 54.00 2asy s GLU 80 Cb 0.00 0.46 -0.07 0.00 0.10 0.00 0.00 34.13 34.61 2asy s GLU 80 CO 0.00 -0.40 0.89 0.08 0.02 0.00 0.00 175.26 175.85 2asy s VAL 81 N -3.74 4.33 -0.38 2.63 1.01 -1.26 -4.65 120.40 118.35 2asy s VAL 81 Ca 0.03 1.95 -0.18 0.00 0.00 0.00 0.00 61.98 63.77 2asy s VAL 81 Cb 0.02 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 32.14 2asy s VAL 81 CO -0.11 0.44 0.52 -0.69 0.00 0.00 0.00 175.10 175.26 2asy s VAL 82 N -0.71 4.99 -0.19 2.92 1.01 0.92 -4.94 120.40 124.40 2asy s VAL 82 Ca 0.41 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.56 2asy s VAL 82 Cb -0.24 -4.02 0.05 0.00 0.00 0.00 0.00 36.38 32.17 2asy s VAL 82 CO 0.29 -0.32 -0.01 0.00 0.00 0.00 0.00 175.10 175.06 2asy s ALA 83 N 2.43 1.33 0.00 5.51 0.00 -1.24 -1.45 121.76 128.33 2asy s ALA 83 Ca 0.18 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.32 2asy s ALA 83 Cb -0.15 -1.19 -0.01 0.00 0.00 0.00 0.00 23.12 21.76 2asy s ALA 83 CO 0.14 -1.03 -0.08 0.15 0.00 0.00 0.00 175.76 174.95 2asy s LYS 84 N 1.70 0.60 -0.30 0.00 1.02 -0.55 -4.73 119.74 117.48 2asy s LYS 84 Ca -0.01 -0.34 -0.07 0.00 0.02 0.00 0.00 55.97 55.57 2asy s LYS 84 Cb -0.17 -0.56 0.01 0.00 -0.52 0.00 0.00 37.83 36.59 2asy s LYS 84 CO -0.07 0.15 0.10 0.08 -0.92 0.00 0.00 175.35 174.68 2asy s VAL 85 N -0.32 4.11 0.54 3.17 1.01 -1.26 -0.59 120.40 127.05 2asy s VAL 85 Ca 0.02 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.40 2asy s VAL 85 Cb -0.04 -3.11 0.05 0.00 0.00 0.00 0.00 36.38 33.28 2asy s VAL 85 CO -0.00 0.08 0.75 0.72 0.00 0.00 0.00 175.10 176.65 2asy s PHE 86 N 1.52 2.50 0.21 5.22 -0.71 -1.26 -5.05 117.98 120.41 2asy s PHE 86 Ca 0.03 -0.24 0.08 0.00 -1.04 0.00 0.00 56.93 55.76 2asy s PHE 86 Cb -0.17 -2.62 -0.05 0.00 -1.21 0.00 0.00 43.02 38.97 2asy s PHE 86 CO 0.03 -0.90 -0.15 -0.51 -1.34 0.00 0.00 175.22 172.35 2asy s ASP 87 N -4.48 2.64 0.17 1.98 1.01 -1.26 -4.89 116.67 111.84 2asy s ASP 87 Ca 0.58 -1.02 -0.26 0.00 0.71 0.00 0.00 52.55 52.57 2asy s ASP 87 Cb -0.09 -0.15 -0.08 0.00 1.01 0.00 0.00 42.92 43.61 2asy s ASP 87 CO 0.38 -0.15 0.81 0.54 0.21 0.00 0.00 175.17 176.95 2asy s VAL 88 N -2.91 4.35 -0.05 -1.27 0.11 -1.26 -5.07 120.40 114.31 2asy s VAL 88 Ca 0.23 1.77 0.05 0.00 -2.93 0.00 0.00 61.98 61.09 2asy s VAL 88 Cb -0.01 -4.17 -0.02 0.00 -1.53 0.00 0.00 36.38 30.64 2asy s VAL 88 CO 0.07 0.50 -0.18 0.21 -3.33 0.00 0.00 175.10 172.38 2asy s ASN 89 N -1.03 3.71 -0.23 3.54 3.84 -1.26 -5.08 114.94 118.43 2asy s ASN 89 Ca 0.37 -0.30 -0.19 0.00 0.21 0.00 0.00 52.86 52.96 2asy s ASN 89 Cb -0.23 -0.80 -0.17 0.00 -0.55 0.00 0.00 41.25 39.50 2asy s ASN 89 CO 0.27 0.31 0.01 -0.62 -2.79 0.00 0.00 177.10 174.28 2asy n GLU 90 N 2.50 0.58 -0.32 0.43 1.02 -1.26 -4.42 120.64 119.17 2asy n GLU 90 Ca -0.17 0.46 0.15 0.00 -0.02 0.00 0.00 57.16 57.58 2asy n GLU 90 Cb 0.52 -1.65 0.38 0.00 -0.02 0.00 0.00 31.44 30.66 2asy n GLU 90 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2asy h PRO 91 N -0.98 0.64 -0.00 3.49 0.13 -2.05 -0.45 132.00 132.78 2asy h PRO 91 Ca -0.48 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2asy h PRO 91 Cb 1.43 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2asy h PRO 91 CO -0.28 0.42 -0.01 1.28 -0.23 0.00 0.00 178.00 179.18 2asy n LEU 92 N -4.68 0.11 0.19 1.56 7.99 -1.26 -3.33 117.00 117.58 2asy n LEU 92 Ca 0.22 0.08 0.14 0.00 -0.01 0.00 0.00 56.01 56.44 2asy n LEU 92 Cb 0.61 -0.12 0.61 0.00 -0.11 0.00 0.00 43.42 44.41 2asy n LEU 92 CO 0.24 0.02 0.91 -1.28 -1.51 0.00 0.00 177.39 175.77 2asy h SER 93 N 0.16 0.00 1.28 -1.43 0.87 -1.28 -2.23 113.55 110.91 2asy h SER 93 Ca 0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 2asy h SER 93 Cb 0.16 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 2asy h SER 93 CO 0.00 0.00 -0.76 1.56 -0.53 0.00 0.00 176.83 177.10 2asy h GLN 94 N 0.00 0.00 -0.00 2.24 4.20 -1.75 -3.09 115.11 116.71 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 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2asy h GLN 94 CO 0.00 0.32 -0.17 -0.89 -0.67 0.00 0.00 178.83 177.42 2asy n ILE 95 N -3.05 0.00 0.54 2.54 -0.00 -0.85 -2.89 119.36 115.65 2asy n ILE 95 Ca -0.01 -0.02 0.12 0.00 -0.00 0.00 0.00 62.75 62.84 2asy n ILE 95 Cb 0.72 -0.16 0.28 0.00 -0.00 0.00 0.00 39.64 40.48 2asy n ILE 95 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.55 175.42 2asy h ASN 96 N 0.20 0.00 -0.11 4.38 -0.73 -1.51 -3.38 115.58 114.43 2asy h ASN 96 Ca 0.00 -0.07 -0.07 0.00 1.87 0.00 0.00 56.30 58.03 2asy h ASN 96 Cb 0.44 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.00 2asy h ASN 96 CO 0.00 0.04 0.09 0.00 -0.37 0.00 0.00 177.43 177.18 2asy n GLN 97 N -2.33 1.17 -0.02 6.67 6.02 -1.14 -2.88 117.38 124.87 2asy n GLN 97 Ca 0.04 -0.35 -0.02 0.00 -0.01 0.00 0.00 57.00 56.66 2asy n GLN 97 Cb 0.45 -1.14 -0.01 0.00 1.02 0.00 0.00 30.24 30.56 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 0.91 0.79 0.82 -1.58 0.00 -1.26 -4.41 120.51 115.78 2asy n ALA 98 Ca 0.07 -0.36 0.12 0.00 0.00 0.00 0.00 53.44 53.27 2asy n ALA 98 Cb 0.56 0.02 0.17 0.00 0.00 0.00 0.00 19.45 20.20 2asy n ALA 98 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2asy n LYS 99 N -3.08 0.12 0.00 0.00 3.00 -1.24 -3.31 118.16 113.65 2asy n LYS 99 Ca -0.04 0.02 0.14 0.00 -0.00 0.00 0.00 58.31 58.43 2asy n LYS 99 Cb 0.14 -1.56 0.46 0.00 0.00 0.00 0.00 35.03 34.07 2asy n LYS 99 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2asy n LEU 100 N -1.72 1.26 0.00 3.14 7.99 -1.14 -5.22 117.00 121.31 2asy n LEU 100 Ca 0.04 -0.38 0.00 0.00 -0.01 0.00 0.00 56.01 55.66 2asy n LEU 100 Cb 0.38 -0.06 0.00 0.00 -0.11 0.00 0.00 43.42 43.63 2asy n LEU 100 CO 0.37 0.22 0.21 0.00 -1.51 0.00 0.00 177.39 176.68