#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6e n ALA 2 N 0.00 3.59 -2.94 3.04 0.00 -1.26 -2.81 120.51 120.13 1i6e n ALA 2 Ca 0.00 -4.37 -0.39 0.00 0.00 0.00 0.00 53.44 48.68 1i6e n ALA 2 Cb 0.00 -0.88 -0.12 0.00 0.00 0.00 0.00 19.45 18.46 1i6e n ALA 2 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1i6e s ASP 3 N -2.04 5.58 0.39 0.00 2.15 -1.26 -4.89 116.67 116.59 1i6e s ASP 3 Ca 0.38 -0.93 0.16 0.00 0.43 0.00 0.00 52.55 52.59 1i6e s ASP 3 Cb 0.14 -1.98 0.80 0.00 -0.30 0.00 0.00 42.92 41.58 1i6e s ASP 3 CO -0.05 -0.33 1.83 1.55 -0.17 0.00 0.00 175.17 178.00 1i6e h PRO 4 N 8.37 0.00 -0.52 4.34 0.13 -1.85 -2.00 132.00 140.46 1i6e h PRO 4 Ca -0.27 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.82 1i6e h PRO 4 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1i6e h PRO 4 CO 0.64 0.35 0.17 0.00 -0.23 0.00 0.00 178.00 178.93 1i6e h ALA 5 N 1.65 0.69 -0.81 -0.56 0.00 -1.96 -0.64 119.26 117.63 1i6e h ALA 5 Ca -0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1i6e h ALA 5 Cb 0.70 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1i6e h ALA 5 CO 0.05 0.34 0.51 0.00 0.00 0.00 0.00 179.25 180.14 1i6e h ALA 6 N 1.03 1.03 -0.89 0.00 0.00 -1.91 -3.09 119.26 115.43 1i6e h ALA 6 Ca 0.17 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1i6e h ALA 6 Cb 0.27 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 1i6e h ALA 6 CO -0.01 0.48 0.58 0.78 0.00 0.00 0.00 179.25 181.08 1i6e h GLY 7 N 1.11 1.29 0.52 0.00 0.00 -1.23 -1.22 103.07 103.54 1i6e h GLY 7 Ca 0.29 -0.36 0.06 0.00 0.00 0.00 0.00 47.33 47.31 1i6e h GLY 7 CO -0.06 0.20 0.02 -2.09 0.00 0.00 0.00 176.54 174.61 1i6e h GLU 8 N 0.88 0.12 -0.66 4.80 4.22 -1.09 -0.00 114.58 122.85 1i6e h GLU 8 Ca 0.42 -0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.86 1i6e h GLU 8 Cb 0.42 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1i6e h GLU 8 CO -0.18 0.08 0.43 0.87 -2.18 0.00 0.00 179.01 178.03 1i6e h LYS 9 N 0.13 0.85 -0.83 1.92 1.57 -1.41 -2.89 116.57 115.90 1i6e h LYS 9 Ca 0.16 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1i6e h LYS 9 Cb 0.21 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1i6e h LYS 9 CO -0.25 0.56 0.55 0.28 -0.57 0.00 0.00 179.45 180.02 1i6e h VAL 10 N 0.87 1.19 -0.03 0.50 2.07 -1.14 -2.79 116.25 116.92 1i6e h VAL 10 Ca 0.24 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1i6e h VAL 10 Cb -0.08 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.69 1i6e h VAL 10 CO -0.06 0.20 0.22 0.15 0.02 0.00 0.00 177.57 178.09 1i6e h PHE 11 N 1.09 0.00 -1.09 1.57 3.04 -0.77 -1.80 116.94 118.98 1i6e h PHE 11 Ca 0.31 0.00 0.36 0.00 3.98 0.00 0.00 57.97 62.63 1i6e h PHE 11 Cb -0.07 0.00 -0.14 0.00 2.56 0.00 0.00 35.95 38.29 1i6e h PHE 11 CO -0.00 0.00 0.65 0.78 -2.02 0.00 0.00 178.31 177.72 1i6e h GLY 12 N 0.00 1.80 1.82 2.40 0.00 -1.50 0.37 103.07 107.97 1i6e h GLY 12 Ca 0.01 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 1i6e h GLY 12 CO -0.00 -0.48 -0.24 0.50 0.00 0.00 0.00 176.54 176.33 1i6e h LYS 13 N 0.22 0.21 0.06 4.80 1.57 -1.54 -3.35 116.57 118.54 1i6e h LYS 13 Ca 0.76 -0.06 -0.30 0.00 -1.87 0.00 0.00 60.65 59.17 1i6e h LYS 13 Cb 1.99 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 34.25 1i6e h LYS 13 CO -0.55 0.44 -1.67 0.00 -0.57 0.00 0.00 179.45 177.11 1i6e h LYS 15 N 0.03 0.25 -0.83 0.00 2.10 -1.12 -1.71 116.57 115.30 1i6e h LYS 15 Ca -0.28 -0.01 0.05 0.00 -2.00 0.00 0.00 60.65 58.41 1i6e h LYS 15 Cb 2.00 -0.06 -0.06 0.00 -0.90 0.00 0.00 32.23 33.22 1i6e h LYS 15 CO 0.11 0.16 0.52 0.00 -2.00 0.00 0.00 179.45 178.24 1i6e h ALA 16 N 1.80 1.12 0.10 0.07 0.00 -1.85 -3.31 119.26 117.19 1i6e h ALA 16 Ca 0.17 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.78 1i6e h ALA 16 Cb 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1i6e h ALA 16 CO -0.03 0.28 -1.48 0.00 0.00 0.00 0.00 179.25 178.02 1i6e s HIS 18 N -2.47 2.99 0.13 0.00 3.76 -0.66 -1.50 115.29 117.54 1i6e s HIS 18 Ca -0.22 0.04 0.10 0.00 -0.15 0.00 0.00 55.06 54.83 1i6e s HIS 18 Cb 0.05 -1.66 -0.04 0.00 1.11 0.00 0.00 32.58 32.04 1i6e s HIS 18 CO 0.74 0.42 -0.23 0.15 -0.85 0.00 0.00 174.74 174.96 1i6e s LYS 19 N -1.40 1.56 0.00 1.40 -0.14 -1.25 -4.23 119.74 115.68 1i6e s LYS 19 Ca 0.18 -1.29 0.19 0.00 -1.36 0.00 0.00 55.97 53.68 1i6e s LYS 19 Cb -0.11 -1.98 0.22 0.00 -1.68 0.00 0.00 37.83 34.28 1i6e s LYS 19 CO 0.08 0.46 1.17 1.28 -0.76 0.00 0.00 175.35 177.58 1i6e n LEU 20 N 0.82 2.78 -2.97 3.17 4.77 -1.26 -1.43 117.00 122.88 1i6e n LEU 20 Ca -0.17 -1.19 -0.30 0.00 -0.03 0.00 0.00 56.01 54.32 1i6e n LEU 20 Cb 0.53 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1i6e n LEU 20 CO 0.26 0.53 0.45 0.47 -1.33 0.00 0.00 177.39 177.77 1i6e n ASP 21 N 1.11 5.19 0.00 -1.43 8.00 -1.26 -4.57 116.55 123.58 1i6e n ASP 21 Ca 0.13 -3.70 0.00 0.00 0.71 0.00 0.00 54.79 51.92 1i6e n ASP 21 Cb 0.49 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 1i6e n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i6e n GLY 22 N -0.28 0.22 3.88 0.44 0.00 -1.26 -5.00 105.19 103.18 1i6e n GLY 22 Ca 0.36 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.03 1i6e n GLY 22 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i6e s ASN 23 N -2.15 6.50 -0.29 1.61 0.01 -1.26 -4.84 114.94 114.52 1i6e s ASN 23 Ca 0.00 0.58 0.02 0.00 -0.71 0.00 0.00 52.86 52.75 1i6e s ASN 23 Cb 0.00 -2.10 0.08 0.00 0.41 0.00 0.00 41.25 39.64 1i6e s ASN 23 CO 0.00 0.30 0.01 -1.81 -1.51 0.00 0.00 177.10 174.09 1i6e s ASP 24 N -1.48 4.30 0.00 -1.22 1.11 -1.26 -3.11 116.67 115.01 1i6e s ASP 24 Ca 0.24 -1.67 0.00 0.00 0.18 0.00 0.00 52.55 51.30 1i6e s ASP 24 Cb -0.13 -1.32 0.00 0.00 1.07 0.00 0.00 42.92 42.54 1i6e s ASP 24 CO 0.13 -0.33 0.00 0.61 1.18 0.00 0.00 175.17 176.76 1i6e n GLY 25 N 4.53 0.45 0.07 0.21 0.00 -1.26 -4.97 105.19 104.21 1i6e n GLY 25 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 1i6e n GLY 25 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1i6e h VAL 26 N 0.00 1.57 -1.94 1.61 2.07 -1.84 -3.46 116.25 114.25 1i6e h VAL 26 Ca 0.00 -1.69 -0.47 0.00 0.82 0.00 0.00 66.70 65.36 1i6e h VAL 26 Cb 0.00 2.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 1i6e h VAL 26 CO 0.00 0.44 -0.41 -0.83 0.02 0.00 0.00 177.57 176.79 1i6e s GLY 27 N -3.66 1.55 1.12 2.17 0.00 -0.56 -5.01 107.32 102.93 1i6e s GLY 27 Ca -0.17 -1.47 -0.17 0.00 0.00 0.00 0.00 44.72 42.91 1i6e s GLY 27 CO 0.69 -1.42 1.14 2.56 0.00 0.00 0.00 173.10 176.06 1i6e s PRO 28 N -4.04 -0.54 -0.09 2.90 0.04 -1.26 -4.45 135.00 127.55 1i6e s PRO 28 Ca 0.40 -0.01 -0.30 0.00 0.04 0.00 0.00 61.00 61.13 1i6e s PRO 28 Cb -0.08 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 1i6e s PRO 28 CO 0.28 -3.27 1.50 -3.38 0.04 0.00 0.00 177.00 172.17 1i6e s HIS 29 N -3.15 2.34 -1.83 0.56 -3.43 -1.18 -3.84 115.29 104.75 1i6e s HIS 29 Ca 0.70 0.52 0.28 0.00 -0.80 0.00 0.00 55.06 55.76 1i6e s HIS 29 Cb -0.10 -3.75 1.01 0.00 -1.43 0.00 0.00 32.58 28.30 1i6e s HIS 29 CO 0.56 -2.99 1.72 1.28 -2.00 0.00 0.00 174.74 173.31 1i6e n LEU 30 N 6.87 0.86 -4.61 5.38 4.77 -0.51 -4.74 117.00 125.02 1i6e n LEU 30 Ca 0.16 -0.19 -0.43 0.00 -0.03 0.00 0.00 56.01 55.52 1i6e n LEU 30 Cb 0.44 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 1i6e n LEU 30 CO 0.60 0.16 1.70 0.54 -1.33 0.00 0.00 177.39 179.05 1i6e s ASN 31 N -2.40 5.77 0.00 -1.43 4.22 -1.25 -3.25 114.94 116.59 1i6e s ASN 31 Ca 0.29 1.82 0.00 0.00 -2.14 0.00 0.00 52.86 52.83 1i6e s ASN 31 Cb 0.20 -2.52 0.00 0.00 1.28 0.00 0.00 41.25 40.21 1i6e s ASN 31 CO 0.47 -1.73 0.00 0.61 -2.04 0.00 0.00 177.10 174.42 1i6e n GLY 32 N 5.43 0.78 0.12 0.45 0.00 -0.51 -4.88 105.19 106.59 1i6e n GLY 32 Ca 0.26 -0.53 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 1i6e n GLY 32 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1i6e n VAL 33 N -1.70 1.52 -1.96 1.61 3.14 -1.20 -4.52 118.33 115.22 1i6e n VAL 33 Ca 0.00 -0.64 -0.42 0.00 -2.96 0.00 0.00 64.34 60.32 1i6e n VAL 33 Cb 0.43 -1.29 -0.03 0.00 -1.06 0.00 0.00 33.84 31.90 1i6e n VAL 33 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1i6e s VAL 34 N -2.52 3.40 0.00 1.55 1.01 -1.26 -1.03 120.40 121.54 1i6e s VAL 34 Ca -0.28 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1i6e s VAL 34 Cb 0.08 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1i6e s VAL 34 CO 0.67 -0.45 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1i6e n GLY 35 N 5.51 3.46 3.77 4.51 0.00 -0.11 -5.01 105.19 117.32 1i6e n GLY 35 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 1i6e n GLY 35 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i6e s ARG 36 N -0.94 4.24 0.38 1.61 3.52 -0.20 -4.55 118.95 123.02 1i6e s ARG 36 Ca 0.00 1.72 -0.28 0.00 -0.13 0.00 0.00 55.73 57.05 1i6e s ARG 36 Cb 0.00 -2.77 -0.11 0.00 -1.56 0.00 0.00 34.95 30.52 1i6e s ARG 36 CO 0.00 -0.12 1.48 0.99 -0.81 0.00 0.00 175.30 176.84 1i6e s THR 37 N -1.43 2.04 0.01 4.11 2.01 -1.26 -0.40 115.64 120.73 1i6e s THR 37 Ca 0.54 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 62.28 1i6e s THR 37 Cb -0.28 -3.03 -0.06 0.00 0.01 0.00 0.00 72.50 69.14 1i6e s THR 37 CO 0.36 0.01 1.52 -0.69 -0.69 0.00 0.00 174.62 175.13 1i6e s VAL 38 N -1.13 3.46 -1.14 3.82 1.01 -0.62 -2.19 120.40 123.62 1i6e s VAL 38 Ca 0.54 0.83 -0.01 0.00 0.00 0.00 0.00 61.98 63.34 1i6e s VAL 38 Cb -0.46 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1i6e s VAL 38 CO 0.63 -0.01 0.95 0.00 0.00 0.00 0.00 175.10 176.67 1i6e n ALA 39 N 5.71 -1.80 0.80 5.51 0.00 -1.26 -4.68 120.51 124.80 1i6e n ALA 39 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.67 1i6e n ALA 39 Cb 0.42 -2.66 -0.06 0.00 0.00 0.00 0.00 19.45 17.15 1i6e n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i6e n GLY 40 N -1.22 -0.39 3.54 0.00 0.00 -0.93 -4.87 105.19 101.31 1i6e n GLY 40 Ca -0.23 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 1i6e n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i6e s VAL 41 N -2.40 4.07 -0.91 1.61 1.01 -1.26 -4.98 120.40 117.54 1i6e s VAL 41 Ca 0.09 0.39 -0.24 0.00 0.00 0.00 0.00 61.98 62.22 1i6e s VAL 41 Cb 0.13 -4.73 -0.03 0.00 0.00 0.00 0.00 36.38 31.75 1i6e s VAL 41 CO 0.61 -1.46 1.87 -0.62 0.00 0.00 0.00 175.10 175.50 1i6e s ASP 42 N 3.28 5.35 0.00 3.32 -1.08 -1.26 -2.42 116.67 123.85 1i6e s ASP 42 Ca 0.34 -0.76 0.00 0.00 -0.52 0.00 0.00 52.55 51.61 1i6e s ASP 42 Cb -0.10 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 1i6e s ASP 42 CO 0.18 -2.55 0.00 0.61 0.52 0.00 0.00 175.17 173.93 1i6e n GLY 43 N 6.82 2.04 3.72 2.66 0.00 -1.26 -5.14 105.19 114.04 1i6e n GLY 43 Ca 0.38 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1i6e n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1i6e s PHE 44 N 0.00 3.71 -1.03 1.61 2.19 -1.02 -5.02 117.98 118.43 1i6e s PHE 44 Ca 0.00 1.66 -0.20 0.00 0.33 0.00 0.00 56.93 58.72 1i6e s PHE 44 Cb 0.00 -3.03 0.09 0.00 -1.31 0.00 0.00 43.02 38.77 1i6e s PHE 44 CO 0.00 0.11 1.35 1.21 1.83 0.00 0.00 175.22 179.72 1i6e s ASN 45 N 0.51 6.63 0.44 6.13 2.47 -1.26 -4.92 114.94 124.94 1i6e s ASN 45 Ca 0.47 -1.90 -0.23 0.00 0.42 0.00 0.00 52.86 51.63 1i6e s ASN 45 Cb -0.21 -2.49 -0.08 0.00 -1.45 0.00 0.00 41.25 37.01 1i6e s ASN 45 CO 0.27 -1.24 1.09 -0.31 -3.72 0.00 0.00 177.10 173.19 1i6e s TYR 46 N 3.74 3.04 0.69 0.43 2.02 -1.26 -5.05 117.35 120.96 1i6e s TYR 46 Ca 0.41 1.59 -0.14 0.00 -0.37 0.00 0.00 57.07 58.56 1i6e s TYR 46 Cb -0.02 -3.22 0.02 0.00 -0.40 0.00 0.00 41.96 38.34 1i6e s TYR 46 CO -0.07 -1.04 1.13 -1.54 -1.57 0.00 0.00 175.55 172.46 1i6e s SER 47 N -1.57 4.77 0.16 2.29 1.04 -1.26 -4.80 113.70 114.33 1i6e s SER 47 Ca 0.62 2.08 -0.17 0.00 0.48 0.00 0.00 55.95 58.96 1i6e s SER 47 Cb -0.24 -2.56 0.08 0.00 0.10 0.00 0.00 66.02 63.41 1i6e s SER 47 CO 0.29 -1.86 1.69 -0.78 0.98 0.00 0.00 173.24 173.56 1i6e h ASP 48 N -0.20 -0.20 0.68 7.02 3.58 -1.97 -0.89 116.42 124.44 1i6e h ASP 48 Ca -0.47 0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.04 1i6e h ASP 48 Cb 1.26 0.17 -0.00 0.00 1.72 0.00 0.00 39.33 42.47 1i6e h ASP 48 CO 0.52 -0.06 -0.15 1.55 -2.88 0.00 0.00 179.24 178.23 1i6e h PRO 49 N 0.07 0.00 -0.22 0.28 0.13 -1.87 -0.29 132.00 130.10 1i6e h PRO 49 Ca 0.18 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.28 1i6e h PRO 49 Cb 0.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.37 1i6e h PRO 49 CO -0.32 0.15 0.03 1.98 -0.23 0.00 0.00 178.00 179.61 1i6e h MET 50 N 0.00 0.37 -0.48 0.86 1.85 -1.72 -1.66 114.93 114.15 1i6e h MET 50 Ca -0.00 -0.10 0.03 0.00 -0.61 0.00 0.00 59.70 59.02 1i6e h MET 50 Cb 0.53 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.48 1i6e h MET 50 CO 0.02 0.53 0.25 0.87 -0.40 0.00 0.00 176.91 178.18 1i6e h LYS 51 N 0.17 0.49 0.00 0.39 1.57 -1.01 -3.01 116.57 115.17 1i6e h LYS 51 Ca 0.07 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1i6e h LYS 51 Cb 0.34 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1i6e h LYS 51 CO 0.01 0.32 0.00 0.00 -0.57 0.00 0.00 179.45 179.21 1i6e n ALA 52 N -2.30 1.79 0.02 3.86 0.00 -0.13 -4.15 120.51 119.59 1i6e n ALA 52 Ca 0.03 -0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 1i6e n ALA 52 Cb 0.11 -1.33 -0.06 0.00 0.00 0.00 0.00 19.45 18.16 1i6e n ALA 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1i6e h HIS 53 N 0.00 0.07 0.00 0.00 6.17 -1.15 -3.49 115.15 116.75 1i6e h HIS 53 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1i6e h HIS 53 Cb 0.36 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 30.27 1i6e h HIS 53 CO 0.00 0.06 0.00 0.41 0.71 0.00 0.00 177.93 179.11 1i6e n GLY 54 N -1.05 -1.71 6.49 5.26 0.00 -1.26 -5.06 105.19 107.86 1i6e n GLY 54 Ca -0.06 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1i6e n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i6e n GLY 55 N -1.63 0.02 3.21 -0.02 0.00 -1.26 -4.72 105.19 100.80 1i6e n GLY 55 Ca 0.00 -1.08 -0.17 0.00 0.00 0.00 0.00 46.02 44.78 1i6e n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i6e s ASP 56 N -4.00 1.77 -1.23 1.61 1.01 -1.26 -1.58 116.67 112.99 1i6e s ASP 56 Ca 0.00 -0.81 -0.19 0.00 0.71 0.00 0.00 52.55 52.27 1i6e s ASP 56 Cb 0.00 -0.04 -0.01 0.00 1.01 0.00 0.00 42.92 43.89 1i6e s ASP 56 CO 0.00 -0.19 1.91 0.79 0.21 0.00 0.00 175.17 177.89 1i6e n TRP 57 N 0.56 3.59 -1.62 4.23 7.02 0.46 -4.85 117.44 126.83 1i6e n TRP 57 Ca -0.16 -2.38 -0.31 0.00 -1.02 0.00 0.00 57.50 53.63 1i6e n TRP 57 Cb 0.57 -2.50 0.04 0.00 -2.42 0.00 0.00 31.31 27.01 1i6e n TRP 57 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1i6e s THR 58 N 5.90 4.13 0.43 -0.99 -4.23 -1.26 -0.94 115.64 118.68 1i6e s THR 58 Ca 0.57 0.70 0.14 0.00 -1.18 0.00 0.00 61.69 61.91 1i6e s THR 58 Cb 0.06 -3.47 0.33 0.00 1.34 0.00 0.00 72.50 70.76 1i6e s THR 58 CO 0.07 -0.90 1.97 1.55 -0.54 0.00 0.00 174.62 176.77 1i6e h PRO 59 N -0.63 0.40 0.04 3.99 0.13 -1.98 -0.04 132.00 133.91 1i6e h PRO 59 Ca -0.44 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1i6e h PRO 59 Cb 1.21 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1i6e h PRO 59 CO 0.58 0.27 -0.02 1.49 -0.23 0.00 0.00 178.00 180.08 1i6e h GLU 60 N 0.42 -0.06 -0.68 0.86 4.22 -1.99 -2.13 114.58 115.22 1i6e h GLU 60 Ca 0.29 0.00 0.05 0.00 0.08 0.00 0.00 59.36 59.78 1i6e h GLU 60 Cb 0.57 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 1i6e h GLU 60 CO -0.08 0.30 0.40 0.00 -2.18 0.00 0.00 179.01 177.46 1i6e h ALA 61 N 0.51 0.91 -0.08 2.92 0.00 -1.82 -1.71 119.26 119.99 1i6e h ALA 61 Ca -0.01 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1i6e h ALA 61 Cb 0.39 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1i6e h ALA 61 CO 0.01 0.13 -0.07 -0.07 0.00 0.00 0.00 179.25 179.25 1i6e h LEU 62 N 0.77 -0.22 -1.19 0.00 3.38 -1.12 -1.90 115.31 115.03 1i6e h LEU 62 Ca 0.29 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 1i6e h LEU 62 Cb 0.11 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1i6e h LEU 62 CO -0.15 -0.10 0.37 0.06 0.09 0.00 0.00 178.44 178.71 1i6e h GLN 63 N -0.09 0.93 0.77 1.13 -0.00 -1.24 0.50 115.11 117.11 1i6e h GLN 63 Ca 0.06 -0.10 -0.03 0.00 -0.00 0.00 0.00 58.65 58.57 1i6e h GLN 63 Cb 0.17 -0.19 -0.00 0.00 -0.00 0.00 0.00 27.48 27.46 1i6e h GLN 63 CO -0.13 0.68 -0.45 0.93 -0.00 0.00 0.00 178.83 179.86 1i6e h GLU 64 N 0.94 -1.10 -0.74 0.06 4.39 -1.34 -2.06 114.58 114.74 1i6e h GLU 64 Ca 0.24 0.07 0.03 0.00 0.34 0.00 0.00 59.36 60.04 1i6e h GLU 64 Cb 0.02 0.25 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 1i6e h GLU 64 CO -0.04 -0.73 0.47 0.35 -1.16 0.00 0.00 179.01 177.90 1i6e h PHE 65 N -1.14 0.89 0.00 4.33 3.57 -1.22 -2.57 116.94 120.79 1i6e h PHE 65 Ca -0.10 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1i6e h PHE 65 Cb 0.91 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.35 1i6e h PHE 65 CO -0.09 0.52 0.00 -0.07 -2.23 0.00 0.00 178.31 176.44 1i6e h LEU 66 N 0.93 0.00 0.46 0.59 3.38 -1.00 -2.39 115.31 117.28 1i6e h LEU 66 Ca 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 1i6e h LEU 66 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1i6e h LEU 66 CO -0.10 0.00 -0.22 0.74 0.09 0.00 0.00 178.44 178.95 1i6e h THR 67 N 0.00 0.53 -1.54 0.22 2.02 -0.94 0.20 112.91 113.40 1i6e h THR 67 Ca 0.00 -0.22 -0.11 0.00 0.77 0.00 0.00 66.41 66.85 1i6e h THR 67 Cb 0.42 0.63 -0.27 0.00 -1.74 0.00 0.00 68.15 67.20 1i6e h THR 67 CO 0.00 0.04 -0.47 0.21 0.37 0.00 0.00 175.52 175.67 1i6e s ASN 68 N -4.74 -0.20 -0.00 4.18 3.04 -1.20 -3.84 114.94 112.17 1i6e s ASN 68 Ca -0.16 -0.01 -0.22 0.00 0.04 0.00 0.00 52.86 52.51 1i6e s ASN 68 Cb 0.03 1.39 -0.20 0.00 -1.54 0.00 0.00 41.25 40.94 1i6e s ASN 68 CO 0.59 -0.32 1.18 1.55 -3.04 0.00 0.00 177.10 177.06 1i6e h PRO 69 N 8.12 0.28 0.00 0.43 0.13 -1.62 -2.51 132.00 136.83 1i6e h PRO 69 Ca -0.11 -0.22 -0.02 0.00 -0.87 0.00 0.00 66.00 64.78 1i6e h PRO 69 Cb 1.14 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1i6e h PRO 69 CO 0.25 0.85 -0.09 0.87 -0.23 0.00 0.00 178.00 179.65 1i6e h LYS 70 N -0.24 0.00 -0.20 0.86 1.57 -1.84 0.09 116.57 116.80 1i6e h LYS 70 Ca -0.01 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1i6e h LYS 70 Cb 0.89 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 1i6e h LYS 70 CO 0.05 0.09 -0.17 0.00 -0.57 0.00 0.00 179.45 178.85 1i6e h ALA 71 N 1.91 0.30 0.39 3.86 0.00 -1.95 -3.26 119.26 120.51 1i6e h ALA 71 Ca -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1i6e h ALA 71 Cb 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1i6e h ALA 71 CO 0.01 0.20 -0.19 0.28 0.00 0.00 0.00 179.25 179.55 1i6e h VAL 72 N 0.16 0.57 -3.41 0.00 2.07 -1.28 -3.40 116.25 110.96 1i6e h VAL 72 Ca 0.04 -0.45 -0.72 0.00 0.82 0.00 0.00 66.70 66.39 1i6e h VAL 72 Cb 0.70 0.78 -0.27 0.00 -1.52 0.00 0.00 31.29 30.98 1i6e h VAL 72 CO 0.04 0.08 -0.44 -0.69 0.02 0.00 0.00 177.57 176.58 1i6e s VAL 73 N -4.93 4.36 -0.70 2.57 1.01 0.00 -5.06 120.40 117.66 1i6e s VAL 73 Ca -0.15 -1.40 -0.26 0.00 0.00 0.00 0.00 61.98 60.18 1i6e s VAL 73 Cb 0.02 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 1i6e s VAL 73 CO 0.54 -0.55 1.70 -0.75 0.00 0.00 0.00 175.10 176.05 1i6e s LYS 74 N 1.45 2.82 0.00 2.72 2.20 -1.23 -2.67 119.74 125.02 1i6e s LYS 74 Ca 0.03 0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.83 1i6e s LYS 74 Cb -0.24 -4.47 0.00 0.00 -1.51 0.00 0.00 37.83 31.62 1i6e s LYS 74 CO 0.02 -2.63 0.00 0.41 -0.36 0.00 0.00 175.35 172.79 1i6e n GLY 75 N 5.82 1.53 3.73 5.54 0.00 -1.26 -4.79 105.19 115.76 1i6e n GLY 75 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1i6e n GLY 75 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1i6e s THR 76 N -2.00 3.93 -2.00 2.61 -1.32 -1.09 -4.62 115.64 111.16 1i6e s THR 76 Ca 0.00 1.60 0.02 0.00 -1.21 0.00 0.00 61.69 62.10 1i6e s THR 76 Cb 0.00 -4.02 0.05 0.00 -1.51 0.00 0.00 72.50 67.02 1i6e s THR 76 CO 0.00 0.24 0.74 2.29 -2.21 0.00 0.00 174.62 175.68 1i6e n LYS 77 N 2.71 0.65 -2.37 7.08 2.85 -1.26 -4.78 118.16 123.04 1i6e n LYS 77 Ca 0.04 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.90 1i6e n LYS 77 Cb 0.46 -1.05 -0.03 0.00 -0.65 0.00 0.00 35.03 33.77 1i6e n LYS 77 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1i6e s MET 78 N -2.00 3.03 -1.29 -1.58 1.75 -1.26 -4.95 119.30 113.00 1i6e s MET 78 Ca 0.03 0.13 -0.16 0.00 -1.25 0.00 0.00 55.69 54.43 1i6e s MET 78 Cb 0.01 -4.24 -0.00 0.00 2.84 0.00 0.00 34.83 33.44 1i6e s MET 78 CO 0.02 -2.30 2.10 0.00 -0.65 0.00 0.00 175.02 174.20 1i6e n ALA 79 N 10.47 4.74 -3.73 4.11 0.00 -1.26 -4.72 120.51 130.12 1i6e n ALA 79 Ca 0.10 -3.73 -0.17 0.00 0.00 0.00 0.00 53.44 49.64 1i6e n ALA 79 Cb 0.50 -3.57 -0.16 0.00 0.00 0.00 0.00 19.45 16.22 1i6e n ALA 79 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1i6e s PHE 80 N 3.94 0.21 0.01 0.00 5.36 -1.26 -5.09 117.98 121.15 1i6e s PHE 80 Ca 0.51 0.06 -0.25 0.00 -0.96 0.00 0.00 56.93 56.29 1i6e s PHE 80 Cb 0.13 -0.39 -0.17 0.00 -0.34 0.00 0.00 43.02 42.25 1i6e s PHE 80 CO -0.02 -0.14 1.28 0.00 -1.46 0.00 0.00 175.22 174.88 1i6e h ALA 81 N 7.49 -0.31 0.00 11.12 0.00 -1.97 -3.40 119.26 132.19 1i6e h ALA 81 Ca -0.38 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1i6e h ALA 81 Cb 1.13 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1i6e h ALA 81 CO 0.42 -0.50 0.00 0.41 0.00 0.00 0.00 179.25 179.58 1i6e n GLY 82 N -0.28 3.53 3.31 0.00 0.00 -1.26 -4.33 105.19 106.16 1i6e n GLY 82 Ca -0.09 -1.00 -0.46 0.00 0.00 0.00 0.00 46.02 44.47 1i6e n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i6e s LEU 83 N 0.00 6.25 0.21 0.99 1.43 0.70 -5.01 118.68 123.26 1i6e s LEU 83 Ca 0.00 -1.93 -0.03 0.00 -1.03 0.00 0.00 54.13 51.15 1i6e s LEU 83 Cb 0.00 -2.20 0.18 0.00 0.03 0.00 0.00 46.19 44.20 1i6e s LEU 83 CO 0.00 -0.81 1.58 1.55 0.23 0.00 0.00 176.35 178.89 1i6e h PRO 84 N 8.71 0.61 -6.59 1.29 0.13 -1.85 -3.39 132.00 130.92 1i6e h PRO 84 Ca -0.24 -0.31 -0.52 0.00 -0.87 0.00 0.00 66.00 64.05 1i6e h PRO 84 Cb 1.09 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1i6e h PRO 84 CO 0.99 0.91 0.50 0.15 -0.23 0.00 0.00 178.00 180.33 1i6e s LYS 85 N -4.26 4.53 0.25 0.86 1.02 -1.26 -5.00 119.74 115.89 1i6e s LYS 85 Ca -0.08 1.73 -0.04 0.00 0.02 0.00 0.00 55.97 57.60 1i6e s LYS 85 Cb 0.12 -3.31 0.35 0.00 -0.52 0.00 0.00 37.83 34.48 1i6e s LYS 85 CO 0.83 -0.06 1.88 0.97 -0.92 0.00 0.00 175.35 178.06 1i6e h ILE 86 N 4.04 1.10 -0.72 2.17 6.09 -2.01 -3.12 117.51 125.07 1i6e h ILE 86 Ca -0.43 -0.39 0.05 0.00 -1.37 0.00 0.00 64.86 62.72 1i6e h ILE 86 Cb 1.21 -0.13 -0.05 0.00 0.47 0.00 0.00 36.82 38.32 1i6e h ILE 86 CO 0.76 0.21 0.43 1.05 -3.07 0.00 0.00 178.15 177.52 1i6e h GLU 87 N 1.14 0.79 -0.66 2.19 4.11 -1.94 0.46 114.58 120.67 1i6e h GLU 87 Ca 0.40 -0.05 0.09 0.00 0.07 0.00 0.00 59.36 59.87 1i6e h GLU 87 Cb 0.11 -0.18 -0.07 0.00 0.50 0.00 0.00 28.75 29.11 1i6e h GLU 87 CO -0.15 0.52 0.31 -0.44 0.07 0.00 0.00 179.01 179.31 1i6e h ASP 88 N 0.81 0.38 0.36 3.06 5.19 -1.90 0.40 116.42 124.73 1i6e h ASP 88 Ca 0.31 0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.76 1i6e h ASP 88 Cb 0.12 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.63 1i6e h ASP 88 CO -0.15 0.23 -0.18 0.03 -3.12 0.00 0.00 179.24 176.05 1i6e h ARG 89 N 0.53 -0.47 -0.70 3.56 3.08 -1.44 -2.77 114.38 116.17 1i6e h ARG 89 Ca 0.32 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.40 1i6e h ARG 89 Cb 0.34 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 1i6e h ARG 89 CO -0.26 -0.16 0.43 0.00 -1.07 0.00 0.00 179.97 178.90 1i6e h ALA 90 N -0.34 0.90 -0.25 0.04 0.00 -0.93 -0.29 119.26 118.39 1i6e h ALA 90 Ca -0.05 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1i6e h ALA 90 Cb 0.53 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1i6e h ALA 90 CO 0.08 0.37 0.16 -0.91 0.00 0.00 0.00 179.25 178.94 1i6e h ASN 91 N 0.96 0.30 -0.62 0.00 2.35 -0.74 -1.16 115.58 116.66 1i6e h ASN 91 Ca 0.25 -0.04 0.02 0.00 -0.55 0.00 0.00 56.30 55.98 1i6e h ASN 91 Cb -0.04 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 1i6e h ASN 91 CO -0.05 0.25 0.40 0.25 -1.65 0.00 0.00 177.43 176.63 1i6e h LEU 92 N 0.32 0.67 -0.70 1.61 5.85 -1.44 -1.71 115.31 119.91 1i6e h LEU 92 Ca 0.09 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1i6e h LEU 92 Cb 0.00 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1i6e h LEU 92 CO -0.02 0.48 0.44 0.40 -0.34 0.00 0.00 178.44 179.39 1i6e h ILE 93 N 0.80 1.19 -0.71 4.05 2.04 -1.03 -0.06 117.51 123.80 1i6e h ILE 93 Ca 0.24 -0.40 0.09 0.00 1.00 0.00 0.00 64.86 65.79 1i6e h ILE 93 Cb -0.04 0.21 -0.07 0.00 -0.74 0.00 0.00 36.82 36.17 1i6e h ILE 93 CO -0.07 0.19 0.35 0.00 0.00 0.00 0.00 178.15 178.62 1i6e h ALA 94 N 1.23 0.97 -0.22 1.87 0.00 -1.12 0.55 119.26 122.54 1i6e h ALA 94 Ca 0.25 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1i6e h ALA 94 Cb -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1i6e h ALA 94 CO -0.05 -0.05 0.11 -0.92 0.00 0.00 0.00 179.25 178.34 1i6e h TYR 95 N 0.60 0.20 0.00 0.00 3.20 -1.06 -2.56 116.97 117.35 1i6e h TYR 95 Ca 0.35 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.18 1i6e h TYR 95 Cb 0.37 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 1i6e h TYR 95 CO -0.11 0.11 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.24 1i6e h LEU 96 N 0.23 0.00 -0.87 2.82 3.38 -0.85 0.11 115.31 120.13 1i6e h LEU 96 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1i6e h LEU 96 Cb 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1i6e h LEU 96 CO -0.07 0.21 0.56 -0.33 0.09 0.00 0.00 178.44 178.90 1i6e h GLU 97 N 0.00 1.16 -0.34 1.13 5.08 -0.89 -3.24 114.58 117.48 1i6e h GLU 97 Ca -0.00 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1i6e h GLU 97 Cb 0.63 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1i6e h GLU 97 CO 0.03 0.78 0.05 0.78 -1.00 0.00 0.00 179.01 179.65 1i6e h GLY 98 N 1.19 0.61 -7.66 -3.84 0.00 -1.00 -3.39 103.07 88.98 1i6e h GLY 98 Ca 0.32 -0.41 -0.63 0.00 0.00 0.00 0.00 47.33 46.60 1i6e h GLY 98 CO -0.07 0.38 1.96 1.20 0.00 0.00 0.00 176.54 180.01 1i6e s GLN 99 N -5.16 3.78 0.00 4.80 -1.52 0.34 -5.06 119.66 116.85 1i6e s GLN 99 Ca -0.13 -1.73 0.00 0.00 -1.95 0.00 0.00 55.36 51.55 1i6e s GLN 99 Cb 0.09 -5.47 0.00 0.00 -0.22 0.00 0.00 33.01 27.41 1i6e s GLN 99 CO 0.76 -2.38 0.47 1.04 -0.25 0.00 0.00 175.29 174.93