#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6d n ALA 2 N 0.00 -1.32 -2.97 3.17 0.00 -1.26 -4.89 120.51 113.24 1i6d n ALA 2 Ca 0.00 0.07 -0.39 0.00 0.00 0.00 0.00 53.44 53.13 1i6d n ALA 2 Cb 0.00 -3.84 -0.12 0.00 0.00 0.00 0.00 19.45 15.49 1i6d n ALA 2 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1i6d s ASP 3 N -3.37 5.46 0.38 0.00 -1.08 -1.26 -4.85 116.67 111.95 1i6d s ASP 3 Ca 0.66 -0.72 0.07 0.00 -0.52 0.00 0.00 52.55 52.04 1i6d s ASP 3 Cb -0.35 -1.97 0.80 0.00 -1.46 0.00 0.00 42.92 39.95 1i6d s ASP 3 CO 0.88 -0.25 1.99 -0.65 0.52 0.00 0.00 175.17 177.66 1i6d h PRO 4 N 8.33 0.65 -0.21 4.34 0.11 -1.83 -0.28 132.00 143.10 1i6d h PRO 4 Ca -0.30 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.75 1i6d h PRO 4 Cb 1.13 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1i6d h PRO 4 CO 0.62 0.43 0.04 0.00 -0.21 0.00 0.00 178.00 178.88 1i6d h ALA 5 N 1.65 0.28 -0.68 -0.75 0.00 -1.95 -0.81 119.26 116.99 1i6d h ALA 5 Ca 0.27 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1i6d h ALA 5 Cb 0.21 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1i6d h ALA 5 CO -0.08 -0.06 0.34 0.00 0.00 0.00 0.00 179.25 179.46 1i6d h ALA 6 N 0.84 0.91 -0.88 0.00 0.00 -1.91 -3.14 119.26 115.08 1i6d h ALA 6 Ca 0.06 0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.14 1i6d h ALA 6 Cb 0.31 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1i6d h ALA 6 CO 0.00 -0.03 0.57 0.78 0.00 0.00 0.00 179.25 180.57 1i6d h GLY 7 N 0.60 1.20 0.76 0.00 0.00 -0.89 -0.96 103.07 103.79 1i6d h GLY 7 Ca 0.32 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.37 1i6d h GLY 7 CO -0.24 0.12 0.08 -2.09 0.00 0.00 0.00 176.54 174.42 1i6d h GLU 8 N 0.74 0.19 -0.50 4.80 4.22 -1.10 0.79 114.58 123.73 1i6d h GLU 8 Ca 0.43 -0.01 -0.10 0.00 0.08 0.00 0.00 59.36 59.76 1i6d h GLU 8 Cb 0.62 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1i6d h GLU 8 CO -0.19 0.13 -0.09 1.57 -2.18 0.00 0.00 179.01 178.24 1i6d h LYS 9 N 0.20 0.91 -0.93 1.92 2.10 -1.52 -3.09 116.57 116.16 1i6d h LYS 9 Ca 0.12 -0.31 0.02 0.00 -2.00 0.00 0.00 60.65 58.48 1i6d h LYS 9 Cb 0.09 -0.07 -0.05 0.00 -0.90 0.00 0.00 32.23 31.30 1i6d h LYS 9 CO -0.13 0.96 0.61 0.28 -2.00 0.00 0.00 179.45 179.18 1i6d h VAL 10 N 0.82 1.20 0.00 0.07 2.07 -1.16 -2.53 116.25 116.72 1i6d h VAL 10 Ca 0.14 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1i6d h VAL 10 Cb 0.62 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1i6d h VAL 10 CO 0.04 0.22 0.06 0.33 0.02 0.00 0.00 177.57 178.25 1i6d n PHE 11 N -4.46 0.24 -0.32 1.57 7.35 0.27 -1.70 117.46 120.41 1i6d n PHE 11 Ca 0.11 0.12 0.32 0.00 -0.76 0.00 0.00 57.45 57.25 1i6d n PHE 11 Cb 0.05 -0.65 0.69 0.00 0.35 0.00 0.00 39.48 39.92 1i6d n PHE 11 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1i6d h GLY 12 N 0.00 0.34 1.80 7.13 0.00 -1.39 -0.19 103.07 110.77 1i6d h GLY 12 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1i6d h GLY 12 CO 0.00 -0.05 0.00 0.28 0.00 0.00 0.00 176.54 176.77 1i6d n LYS 13 N -4.31 0.11 -0.05 4.80 5.02 -0.69 -4.23 118.16 118.81 1i6d n LYS 13 Ca 0.26 0.17 -0.07 0.00 -2.02 0.00 0.00 58.31 56.65 1i6d n LYS 13 Cb 1.15 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 34.61 1i6d n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i6d h LYS 15 N 0.00 0.00 -0.96 0.00 2.10 -1.32 -1.19 116.57 115.20 1i6d h LYS 15 Ca -0.22 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.45 1i6d h LYS 15 Cb 1.36 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.64 1i6d h LYS 15 CO -0.03 0.01 0.63 0.00 -2.00 0.00 0.00 179.45 178.07 1i6d h ALA 16 N 1.99 1.34 0.02 0.07 0.00 -1.87 -3.36 119.26 117.45 1i6d h ALA 16 Ca -0.00 -0.06 -0.31 0.00 0.00 0.00 0.00 54.91 54.54 1i6d h ALA 16 Cb 0.07 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 1i6d h ALA 16 CO 0.00 0.59 -1.69 0.00 0.00 0.00 0.00 179.25 178.16 1i6d s HIS 18 N -2.43 3.18 -0.27 0.00 3.76 -0.52 -1.78 115.29 117.22 1i6d s HIS 18 Ca -0.30 -0.08 -0.04 0.00 -0.15 0.00 0.00 55.06 54.49 1i6d s HIS 18 Cb 0.08 -2.12 0.02 0.00 1.11 0.00 0.00 32.58 31.67 1i6d s HIS 18 CO 0.61 -0.01 0.00 0.15 -0.85 0.00 0.00 174.74 174.65 1i6d s LYS 19 N 0.74 2.90 0.53 1.40 1.02 -1.26 -4.20 119.74 120.86 1i6d s LYS 19 Ca 0.03 -0.96 0.25 0.00 0.02 0.00 0.00 55.97 55.31 1i6d s LYS 19 Cb -0.13 -3.17 1.46 0.00 -0.52 0.00 0.00 37.83 35.47 1i6d s LYS 19 CO 0.02 -0.44 2.11 -0.07 -0.92 0.00 0.00 175.35 176.04 1i6d h LEU 20 N 8.10 0.00 -4.51 3.17 3.38 -1.94 -3.36 115.31 120.16 1i6d h LEU 20 Ca -0.31 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.26 1i6d h LEU 20 Cb 1.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1i6d h LEU 20 CO 0.58 0.10 1.60 0.47 0.09 0.00 0.00 178.44 181.29 1i6d n ASP 21 N -3.85 6.71 -1.87 -0.43 8.00 -1.26 -4.44 116.55 119.42 1i6d n ASP 21 Ca -0.02 -2.50 -0.13 0.00 0.71 0.00 0.00 54.79 52.85 1i6d n ASP 21 Cb 0.20 -1.45 -0.03 0.00 -0.02 0.00 0.00 41.12 39.82 1i6d n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i6d n GLY 22 N 3.03 0.41 3.02 0.44 0.00 -1.26 -4.98 105.19 105.84 1i6d n GLY 22 Ca 0.58 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.30 1i6d n GLY 22 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i6d s ASN 23 N -2.05 2.65 -0.11 1.61 0.01 -1.26 -5.00 114.94 110.79 1i6d s ASN 23 Ca 0.00 -0.48 -0.16 0.00 -0.71 0.00 0.00 52.86 51.51 1i6d s ASN 23 Cb 0.00 -1.17 -0.05 0.00 0.41 0.00 0.00 41.25 40.45 1i6d s ASN 23 CO 0.00 -0.05 0.41 1.51 -1.51 0.00 0.00 177.10 177.46 1i6d s ASP 24 N 1.43 6.63 0.00 -1.22 -4.77 -1.26 -4.17 116.67 113.31 1i6d s ASP 24 Ca 0.04 0.75 0.00 0.00 -3.30 0.00 0.00 52.55 50.03 1i6d s ASP 24 Cb -0.13 -2.25 0.00 0.00 -1.09 0.00 0.00 42.92 39.45 1i6d s ASP 24 CO -0.10 0.09 0.00 0.61 0.70 0.00 0.00 175.17 176.47 1i6d n GLY 25 N 3.05 0.85 0.14 2.12 0.00 -1.26 -4.96 105.19 105.13 1i6d n GLY 25 Ca -0.10 -0.07 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 1i6d n GLY 25 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1i6d h VAL 26 N 0.00 0.35 -2.27 1.61 2.07 -1.93 -3.46 116.25 112.62 1i6d h VAL 26 Ca 0.00 -1.01 -0.50 0.00 0.82 0.00 0.00 66.70 66.01 1i6d h VAL 26 Cb 0.00 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1i6d h VAL 26 CO 0.00 0.10 -0.50 -0.83 0.02 0.00 0.00 177.57 176.36 1i6d s GLY 27 N -3.33 1.41 0.26 2.17 0.00 -0.74 -5.01 107.32 102.09 1i6d s GLY 27 Ca -0.07 -1.32 -0.29 0.00 0.00 0.00 0.00 44.72 43.03 1i6d s GLY 27 CO 0.25 -1.35 1.17 2.56 0.00 0.00 0.00 173.10 175.73 1i6d s PRO 28 N -3.76 4.54 -0.32 2.90 0.04 -1.26 -4.53 135.00 132.62 1i6d s PRO 28 Ca 0.33 1.91 -0.37 0.00 0.04 0.00 0.00 61.00 62.91 1i6d s PRO 28 Cb -0.09 -3.18 -0.13 0.00 0.04 0.00 0.00 34.50 31.14 1i6d s PRO 28 CO 0.26 0.05 2.05 -2.39 0.04 0.00 0.00 177.00 177.01 1i6d n HIS 29 N 1.51 1.76 1.34 0.56 1.44 -1.26 -4.71 115.22 115.86 1i6d n HIS 29 Ca 0.01 0.34 0.12 0.00 -2.01 0.00 0.00 57.72 56.17 1i6d n HIS 29 Cb 0.44 -2.51 0.67 0.00 0.12 0.00 0.00 29.99 28.70 1i6d n HIS 29 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1i6d n LEU 30 N 8.35 0.00 -4.64 2.39 4.77 -1.26 -4.68 117.00 121.93 1i6d n LEU 30 Ca 0.37 0.13 -0.43 0.00 -0.03 0.00 0.00 56.01 56.05 1i6d n LEU 30 Cb 0.20 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1i6d n LEU 30 CO 0.78 -0.03 1.36 0.21 -1.33 0.00 0.00 177.39 178.38 1i6d s ASN 31 N -2.26 6.48 0.00 -1.43 2.47 -1.26 -2.99 114.94 115.95 1i6d s ASN 31 Ca 0.30 1.81 0.00 0.00 0.42 0.00 0.00 52.86 55.39 1i6d s ASN 31 Cb 0.16 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.43 1i6d s ASN 31 CO 0.32 -1.14 0.00 0.61 -3.72 0.00 0.00 177.10 173.17 1i6d n GLY 32 N 4.46 0.72 0.11 1.21 0.00 -0.15 -4.95 105.19 106.59 1i6d n GLY 32 Ca 0.18 -0.68 -0.16 0.00 0.00 0.00 0.00 46.02 45.36 1i6d n GLY 32 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1i6d h VAL 33 N 0.00 1.16 -2.98 1.61 3.04 -1.73 -3.41 116.25 113.95 1i6d h VAL 33 Ca 0.00 -2.82 -0.57 0.00 -1.01 0.00 0.00 66.70 62.31 1i6d h VAL 33 Cb 0.30 2.75 -0.04 0.00 -2.01 0.00 0.00 31.29 32.29 1i6d h VAL 33 CO 0.00 0.81 1.04 -0.69 -1.01 0.00 0.00 177.57 177.72 1i6d s VAL 34 N -2.62 3.93 0.00 1.51 1.01 -1.26 -1.36 120.40 121.61 1i6d s VAL 34 Ca -0.08 1.05 0.00 0.00 0.00 0.00 0.00 61.98 62.95 1i6d s VAL 34 Cb 0.07 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1i6d s VAL 34 CO 0.85 -0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1i6d n GLY 35 N 4.49 1.29 3.82 4.51 0.00 0.01 -4.99 105.19 114.32 1i6d n GLY 35 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1i6d n GLY 35 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i6d s ARG 36 N -0.55 4.25 0.52 1.61 3.52 -0.47 -4.47 118.95 123.37 1i6d s ARG 36 Ca 0.00 0.98 -0.22 0.00 -0.13 0.00 0.00 55.73 56.35 1i6d s ARG 36 Cb 0.00 -2.57 -0.06 0.00 -1.56 0.00 0.00 34.95 30.76 1i6d s ARG 36 CO 0.00 0.20 1.36 0.99 -0.81 0.00 0.00 175.30 177.04 1i6d s THR 37 N -1.83 2.15 -0.11 4.11 2.01 -1.26 -0.53 115.64 120.18 1i6d s THR 37 Ca 0.52 0.11 -0.29 0.00 0.31 0.00 0.00 61.69 62.34 1i6d s THR 37 Cb -0.13 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 1i6d s THR 37 CO 0.19 0.00 1.54 -0.69 -0.69 0.00 0.00 174.62 174.96 1i6d s VAL 38 N -1.30 3.80 -0.90 3.82 1.01 -0.33 -1.45 120.40 125.04 1i6d s VAL 38 Ca 0.69 0.96 -0.04 0.00 0.00 0.00 0.00 61.98 63.59 1i6d s VAL 38 Cb -0.40 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1i6d s VAL 38 CO 0.48 -0.12 0.78 0.00 0.00 0.00 0.00 175.10 176.25 1i6d n ALA 39 N 7.17 -1.05 -2.60 5.51 0.00 -1.26 -4.75 120.51 123.52 1i6d n ALA 39 Ca 0.16 0.18 -0.29 0.00 0.00 0.00 0.00 53.44 53.50 1i6d n ALA 39 Cb 0.44 -3.32 -0.01 0.00 0.00 0.00 0.00 19.45 16.55 1i6d n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i6d n GLY 40 N -1.41 5.83 2.80 0.00 0.00 -0.53 -4.92 105.19 106.96 1i6d n GLY 40 Ca -0.06 -2.73 -0.26 0.00 0.00 0.00 0.00 46.02 42.97 1i6d n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i6d s VAL 41 N -5.02 0.65 -0.16 1.61 1.01 -1.26 -4.71 120.40 112.52 1i6d s VAL 41 Ca 0.48 -0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.85 1i6d s VAL 41 Cb 0.34 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 1i6d s VAL 41 CO -0.19 0.08 1.41 1.51 0.00 0.00 0.00 175.10 177.90 1i6d s ASP 42 N 1.83 6.78 0.00 3.32 1.47 -1.26 -3.19 116.67 125.63 1i6d s ASP 42 Ca 0.02 1.78 0.00 0.00 1.18 0.00 0.00 52.55 55.52 1i6d s ASP 42 Cb -0.15 -2.54 0.00 0.00 -0.34 0.00 0.00 42.92 39.90 1i6d s ASP 42 CO -0.07 -0.89 0.00 0.61 0.68 0.00 0.00 175.17 175.50 1i6d n GLY 43 N 3.93 3.45 3.75 2.12 0.00 -1.26 -5.10 105.19 112.08 1i6d n GLY 43 Ca 0.15 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 1i6d n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1i6d s PHE 44 N 0.00 3.80 -0.90 1.61 5.36 -1.19 -5.02 117.98 121.64 1i6d s PHE 44 Ca 0.00 1.61 -0.25 0.00 -0.96 0.00 0.00 56.93 57.34 1i6d s PHE 44 Cb 0.00 -2.89 0.03 0.00 -0.34 0.00 0.00 43.02 39.83 1i6d s PHE 44 CO 0.00 0.30 1.46 1.21 -1.46 0.00 0.00 175.22 176.74 1i6d s ASN 45 N -0.27 6.20 0.44 6.13 2.47 -1.26 -4.96 114.94 123.69 1i6d s ASN 45 Ca 0.41 -0.96 -0.21 0.00 0.42 0.00 0.00 52.86 52.51 1i6d s ASN 45 Cb -0.22 -2.56 -0.10 0.00 -1.45 0.00 0.00 41.25 36.92 1i6d s ASN 45 CO 0.26 -1.77 1.00 -0.31 -3.72 0.00 0.00 177.10 172.55 1i6d s TYR 46 N 5.91 3.20 0.53 0.43 2.02 -1.26 -5.06 117.35 123.12 1i6d s TYR 46 Ca 0.46 1.61 -0.20 0.00 -0.37 0.00 0.00 57.07 58.57 1i6d s TYR 46 Cb -0.04 -2.98 -0.05 0.00 -0.40 0.00 0.00 41.96 38.48 1i6d s TYR 46 CO 0.01 -0.46 1.19 -1.54 -1.57 0.00 0.00 175.55 173.17 1i6d s SER 47 N -1.97 5.64 0.21 2.29 1.04 -1.26 -4.87 113.70 114.78 1i6d s SER 47 Ca 0.63 2.34 -0.09 0.00 0.48 0.00 0.00 55.95 59.30 1i6d s SER 47 Cb -0.14 -2.60 0.28 0.00 0.10 0.00 0.00 66.02 63.66 1i6d s SER 47 CO 0.19 -1.28 1.76 0.44 0.98 0.00 0.00 173.24 175.32 1i6d h ASP 48 N 1.37 0.30 0.00 7.02 3.32 -1.97 -1.42 116.42 125.04 1i6d h ASP 48 Ca -0.50 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.58 1i6d h ASP 48 Cb 1.27 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 1i6d h ASP 48 CO 0.57 0.18 -0.08 -0.65 -1.72 0.00 0.00 179.24 177.54 1i6d h PRO 49 N 0.47 0.19 -0.52 3.56 0.11 -1.86 -0.14 132.00 133.80 1i6d h PRO 49 Ca 0.31 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.31 1i6d h PRO 49 Cb 0.35 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 1i6d h PRO 49 CO -0.28 0.28 0.02 1.98 -0.21 0.00 0.00 178.00 179.80 1i6d h MET 50 N 0.18 0.91 -0.10 1.05 1.85 -1.75 -2.82 114.93 114.25 1i6d h MET 50 Ca 0.04 -0.28 -0.00 0.00 -0.61 0.00 0.00 59.70 58.85 1i6d h MET 50 Cb 0.27 -0.09 -0.00 0.00 0.43 0.00 0.00 31.60 32.20 1i6d h MET 50 CO 0.01 0.92 0.05 0.87 -0.40 0.00 0.00 176.91 178.36 1i6d h LYS 51 N 0.78 0.14 -0.97 0.39 1.57 -1.08 -3.23 116.57 114.18 1i6d h LYS 51 Ca 0.15 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1i6d h LYS 51 Cb 0.49 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 1i6d h LYS 51 CO 0.02 0.19 0.01 0.00 -0.57 0.00 0.00 179.45 179.10 1i6d n ALA 52 N -2.17 2.65 -0.04 3.86 0.00 -0.08 -4.47 120.51 120.25 1i6d n ALA 52 Ca -0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 53.44 53.20 1i6d n ALA 52 Cb 0.08 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.51 1i6d n ALA 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1i6d h HIS 53 N 0.31 -0.01 -1.87 0.00 6.17 -1.51 -3.49 115.15 114.75 1i6d h HIS 53 Ca 0.01 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.09 1i6d h HIS 53 Cb 0.71 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.65 1i6d h HIS 53 CO 0.10 -0.01 0.00 0.41 0.71 0.00 0.00 177.93 179.15 1i6d n GLY 54 N 1.76 -1.83 0.00 5.26 0.00 -1.26 -5.14 105.19 103.97 1i6d n GLY 54 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1i6d n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i6d n GLY 55 N 0.05 -1.69 3.19 -0.02 0.00 -1.26 -5.04 105.19 100.43 1i6d n GLY 55 Ca 0.00 -1.09 -0.18 0.00 0.00 0.00 0.00 46.02 44.75 1i6d n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i6d s ASP 56 N -1.27 1.77 -1.27 1.61 1.01 -1.26 -1.19 116.67 116.06 1i6d s ASP 56 Ca 0.00 -0.68 -0.17 0.00 0.71 0.00 0.00 52.55 52.41 1i6d s ASP 56 Cb 0.00 -0.05 0.09 0.00 1.01 0.00 0.00 42.92 43.97 1i6d s ASP 56 CO 0.00 -0.10 1.66 0.26 0.21 0.00 0.00 175.17 177.20 1i6d s TRP 57 N -1.56 2.94 0.63 4.23 0.52 0.32 -4.88 118.94 121.13 1i6d s TRP 57 Ca 0.01 -1.73 -0.11 0.00 0.02 0.00 0.00 56.10 54.29 1i6d s TRP 57 Cb -0.08 -4.65 -0.03 0.00 -1.15 0.00 0.00 33.47 27.55 1i6d s TRP 57 CO 0.02 -1.72 1.03 0.95 0.02 0.00 0.00 176.95 177.26 1i6d s THR 58 N 3.63 4.58 0.22 2.01 -4.23 -1.26 -0.81 115.64 119.77 1i6d s THR 58 Ca 0.51 0.86 -0.09 0.00 -1.18 0.00 0.00 61.69 61.79 1i6d s THR 58 Cb 0.02 -3.78 0.18 0.00 1.34 0.00 0.00 72.50 70.26 1i6d s THR 58 CO 0.06 -1.07 1.69 1.55 -0.54 0.00 0.00 174.62 176.31 1i6d h PRO 59 N -0.31 0.23 0.08 3.99 0.13 -1.99 0.28 132.00 134.41 1i6d h PRO 59 Ca -0.44 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.69 1i6d h PRO 59 Cb 1.19 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 1i6d h PRO 59 CO 0.61 0.15 -0.22 1.49 -0.23 0.00 0.00 178.00 179.81 1i6d h GLU 60 N 0.23 -0.37 -0.52 0.86 4.57 -1.99 -0.87 114.58 116.49 1i6d h GLU 60 Ca 0.33 0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.58 1i6d h GLU 60 Cb 0.52 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.15 1i6d h GLU 60 CO -0.44 -0.25 0.28 0.00 -1.18 0.00 0.00 179.01 177.42 1i6d h ALA 61 N 0.43 0.67 -0.18 2.92 0.00 -1.85 -2.18 119.26 119.07 1i6d h ALA 61 Ca 0.04 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1i6d h ALA 61 Cb 0.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1i6d h ALA 61 CO -0.14 -0.05 0.03 -0.07 0.00 0.00 0.00 179.25 179.02 1i6d h LEU 62 N 0.54 0.00 -1.00 0.00 3.38 -0.96 -1.25 115.31 116.02 1i6d h LEU 62 Ca 0.22 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1i6d h LEU 62 Cb 0.11 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1i6d h LEU 62 CO -0.14 0.03 0.29 0.06 0.09 0.00 0.00 178.44 178.77 1i6d h GLN 63 N 0.10 1.01 0.50 1.13 -0.00 -1.09 0.97 115.11 117.74 1i6d h GLN 63 Ca 0.08 -0.16 -0.02 0.00 -0.00 0.00 0.00 58.65 58.55 1i6d h GLN 63 Cb 0.08 -0.18 0.00 0.00 -0.00 0.00 0.00 27.48 27.39 1i6d h GLN 63 CO -0.11 0.81 -0.24 0.93 -0.00 0.00 0.00 178.83 180.22 1i6d h GLU 64 N 1.00 -0.65 -0.54 0.06 5.08 -1.41 -2.17 114.58 115.95 1i6d h GLU 64 Ca 0.24 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.69 1i6d h GLU 64 Cb 0.16 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 1i6d h GLU 64 CO -0.02 -0.41 0.26 0.35 -1.00 0.00 0.00 179.01 178.19 1i6d h PHE 65 N -0.71 0.48 0.00 4.33 3.57 -1.15 -2.61 116.94 120.84 1i6d h PHE 65 Ca -0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1i6d h PHE 65 Cb 0.53 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1i6d h PHE 65 CO -0.03 0.22 0.00 1.28 -2.23 0.00 0.00 178.31 177.55 1i6d n LEU 66 N -4.89 0.00 0.13 0.59 4.77 0.33 -1.31 117.00 116.62 1i6d n LEU 66 Ca 0.05 0.45 -0.11 0.00 -0.03 0.00 0.00 56.01 56.38 1i6d n LEU 66 Cb 0.16 -0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 40.72 1i6d n LEU 66 CO 0.28 -0.17 0.41 0.74 -1.33 0.00 0.00 177.39 177.32 1i6d h THR 67 N 0.00 0.58 -2.53 -5.08 2.02 -1.00 0.23 112.91 107.13 1i6d h THR 67 Ca 0.00 -0.81 -0.37 0.00 0.77 0.00 0.00 66.41 66.00 1i6d h THR 67 Cb 0.28 0.92 -0.36 0.00 -1.74 0.00 0.00 68.15 67.25 1i6d h THR 67 CO 0.00 0.13 -0.67 0.21 0.37 0.00 0.00 175.52 175.56 1i6d s ASN 68 N -5.18 1.88 0.14 4.18 3.84 -1.17 -4.24 114.94 114.40 1i6d s ASN 68 Ca -0.12 -0.55 -0.10 0.00 0.21 0.00 0.00 52.86 52.30 1i6d s ASN 68 Cb 0.01 0.23 -0.05 0.00 -0.55 0.00 0.00 41.25 40.89 1i6d s ASN 68 CO 0.45 -0.36 1.42 1.55 -2.79 0.00 0.00 177.10 177.36 1i6d h PRO 69 N 8.33 0.81 0.00 0.43 0.13 -1.41 -2.87 132.00 137.42 1i6d h PRO 69 Ca -0.16 -0.53 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 1i6d h PRO 69 Cb 1.11 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1i6d h PRO 69 CO 0.32 1.16 0.00 0.87 -0.23 0.00 0.00 178.00 180.12 1i6d h LYS 70 N 0.62 0.00 0.01 0.86 1.57 -1.85 -1.40 116.57 116.37 1i6d h LYS 70 Ca 0.01 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1i6d h LYS 70 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1i6d h LYS 70 CO 0.12 0.00 -0.20 0.00 -0.57 0.00 0.00 179.45 178.80 1i6d h ALA 71 N 2.20 0.01 0.13 3.86 0.00 -1.94 -3.35 119.26 120.17 1i6d h ALA 71 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1i6d h ALA 71 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1i6d h ALA 71 CO 0.00 0.05 -0.06 0.28 0.00 0.00 0.00 179.25 179.52 1i6d h VAL 72 N -0.62 1.03 -3.28 0.00 2.07 -1.47 -3.37 116.25 110.60 1i6d h VAL 72 Ca -0.03 -1.04 -0.76 0.00 0.82 0.00 0.00 66.70 65.69 1i6d h VAL 72 Cb 1.00 1.63 -0.25 0.00 -1.52 0.00 0.00 31.29 32.15 1i6d h VAL 72 CO 0.04 0.23 -0.16 -0.69 0.02 0.00 0.00 177.57 177.01 1i6d s VAL 73 N -3.98 5.20 -0.62 2.57 1.01 -0.53 -5.05 120.40 119.00 1i6d s VAL 73 Ca -0.14 -1.77 -0.27 0.00 0.00 0.00 0.00 61.98 59.79 1i6d s VAL 73 Cb 0.01 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1i6d s VAL 73 CO 0.57 -0.90 1.55 -0.75 0.00 0.00 0.00 175.10 175.57 1i6d s LYS 74 N 1.22 3.04 0.00 2.72 2.20 -1.26 -2.33 119.74 125.33 1i6d s LYS 74 Ca 0.07 0.37 0.00 0.00 -0.36 0.00 0.00 55.97 56.05 1i6d s LYS 74 Cb -0.25 -4.23 0.00 0.00 -1.51 0.00 0.00 37.83 31.84 1i6d s LYS 74 CO -0.00 -2.27 0.00 0.41 -0.36 0.00 0.00 175.35 173.13 1i6d n GLY 75 N 5.45 1.41 3.77 5.54 0.00 -1.26 -4.78 105.19 115.33 1i6d n GLY 75 Ca 0.13 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 1i6d n GLY 75 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1i6d s THR 76 N -2.05 3.34 -1.96 2.61 -1.32 -0.99 -4.50 115.64 110.76 1i6d s THR 76 Ca 0.00 1.16 0.00 0.00 -1.21 0.00 0.00 61.69 61.64 1i6d s THR 76 Cb 0.00 -3.66 0.00 0.00 -1.51 0.00 0.00 72.50 67.33 1i6d s THR 76 CO 0.00 0.14 0.76 2.29 -2.21 0.00 0.00 174.62 175.60 1i6d n LYS 77 N 0.33 0.77 -2.49 7.08 2.85 -1.26 -4.82 118.16 120.62 1i6d n LYS 77 Ca 0.03 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.86 1i6d n LYS 77 Cb 0.47 -1.01 -0.02 0.00 -0.65 0.00 0.00 35.03 33.81 1i6d n LYS 77 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1i6d s MET 78 N -1.96 3.57 -1.30 -1.58 1.75 -1.26 -4.97 119.30 113.54 1i6d s MET 78 Ca 0.00 0.58 -0.18 0.00 -1.25 0.00 0.00 55.69 54.85 1i6d s MET 78 Cb 0.00 -4.00 0.08 0.00 2.84 0.00 0.00 34.83 33.75 1i6d s MET 78 CO 0.00 -1.59 1.73 0.00 -0.65 0.00 0.00 175.02 174.51 1i6d n ALA 79 N 8.53 3.65 -3.72 4.11 0.00 -1.26 -4.79 120.51 127.03 1i6d n ALA 79 Ca 0.13 -3.88 -0.14 0.00 0.00 0.00 0.00 53.44 49.55 1i6d n ALA 79 Cb 0.49 -3.56 -0.14 0.00 0.00 0.00 0.00 19.45 16.23 1i6d n ALA 79 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1i6d s PHE 80 N 3.98 -0.26 -0.05 0.00 5.36 -1.26 -5.10 117.98 120.66 1i6d s PHE 80 Ca 0.53 0.67 -0.11 0.00 -0.96 0.00 0.00 56.93 57.06 1i6d s PHE 80 Cb 0.04 -0.05 -0.06 0.00 -0.34 0.00 0.00 43.02 42.61 1i6d s PHE 80 CO 0.07 -0.23 0.47 0.00 -1.46 0.00 0.00 175.22 174.08 1i6d h ALA 81 N 7.48 -0.41 0.00 11.12 0.00 -1.94 -3.40 119.26 132.10 1i6d h ALA 81 Ca -0.35 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1i6d h ALA 81 Cb 1.14 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1i6d h ALA 81 CO 0.34 -0.38 0.00 0.41 0.00 0.00 0.00 179.25 179.61 1i6d n GLY 82 N 0.74 1.84 3.30 0.00 0.00 -1.26 -4.36 105.19 105.45 1i6d n GLY 82 Ca -0.05 -0.90 -0.46 0.00 0.00 0.00 0.00 46.02 44.62 1i6d n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i6d s LEU 83 N 0.00 6.36 0.18 0.99 1.43 0.79 -5.00 118.68 123.43 1i6d s LEU 83 Ca 0.00 -2.21 -0.07 0.00 -1.03 0.00 0.00 54.13 50.82 1i6d s LEU 83 Cb 0.00 -2.18 0.08 0.00 0.03 0.00 0.00 46.19 44.12 1i6d s LEU 83 CO 0.00 -0.71 1.55 1.55 0.23 0.00 0.00 176.35 178.97 1i6d h PRO 84 N 8.34 0.81 -6.23 1.29 0.13 -1.89 -3.41 132.00 131.04 1i6d h PRO 84 Ca -0.12 -0.39 -0.56 0.00 -0.87 0.00 0.00 66.00 64.06 1i6d h PRO 84 Cb 1.07 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.16 1i6d h PRO 84 CO 0.90 1.02 0.68 0.15 -0.23 0.00 0.00 178.00 180.53 1i6d s LYS 85 N -4.43 4.35 0.54 0.86 1.02 -1.26 -4.97 119.74 115.86 1i6d s LYS 85 Ca -0.10 1.50 0.24 0.00 0.02 0.00 0.00 55.97 57.64 1i6d s LYS 85 Cb 0.12 -3.59 1.44 0.00 -0.52 0.00 0.00 37.83 35.28 1i6d s LYS 85 CO 0.86 -0.45 2.07 0.97 -0.92 0.00 0.00 175.35 177.87 1i6d h ILE 86 N 5.17 0.73 -0.25 2.17 2.10 -2.00 -2.75 117.51 122.68 1i6d h ILE 86 Ca -0.29 0.00 0.06 0.00 1.08 0.00 0.00 64.86 65.71 1i6d h ILE 86 Cb 1.13 0.83 -0.07 0.00 -1.09 0.00 0.00 36.82 37.63 1i6d h ILE 86 CO 0.90 0.00 -0.19 -0.33 -1.08 0.00 0.00 178.15 177.45 1i6d h GLU 87 N 0.00 -0.17 -0.81 2.19 5.08 -1.97 0.75 114.58 119.65 1i6d h GLU 87 Ca 0.14 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 1i6d h GLU 87 Cb 0.60 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 1i6d h GLU 87 CO -0.00 -0.11 0.52 -0.44 -1.00 0.00 0.00 179.01 177.98 1i6d h ASP 88 N -0.17 0.88 0.37 1.42 5.19 -1.90 -1.12 116.42 121.08 1i6d h ASP 88 Ca 0.14 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.53 1i6d h ASP 88 Cb 0.39 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 1i6d h ASP 88 CO -0.36 0.61 -0.25 0.03 -3.12 0.00 0.00 179.24 176.15 1i6d h ARG 89 N 1.03 -0.59 -0.92 3.56 3.08 -1.22 -1.57 114.38 117.75 1i6d h ARG 89 Ca 0.32 0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.44 1i6d h ARG 89 Cb -0.03 0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 1i6d h ARG 89 CO -0.10 -0.39 0.60 0.00 -1.07 0.00 0.00 179.97 179.01 1i6d h ALA 90 N -0.03 1.21 0.19 0.04 0.00 -0.88 -0.44 119.26 119.34 1i6d h ALA 90 Ca -0.04 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1i6d h ALA 90 Cb 0.51 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1i6d h ALA 90 CO 0.02 0.48 -0.33 -0.91 0.00 0.00 0.00 179.25 178.52 1i6d h ASN 91 N 1.18 -0.93 -0.48 0.00 -0.26 -1.20 -1.14 115.58 112.75 1i6d h ASN 91 Ca 0.36 0.10 0.02 0.00 -0.56 0.00 0.00 56.30 56.22 1i6d h ASN 91 Cb -0.03 0.34 -0.03 0.00 -1.06 0.00 0.00 38.32 37.54 1i6d h ASN 91 CO -0.11 -0.43 0.29 0.25 -1.06 0.00 0.00 177.43 176.37 1i6d h LEU 92 N -0.59 0.48 -0.73 1.61 6.46 -1.22 -2.21 115.31 119.11 1i6d h LEU 92 Ca 0.01 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.71 1i6d h LEU 92 Cb 0.59 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.39 1i6d h LEU 92 CO -0.15 0.34 0.20 0.40 -0.62 0.00 0.00 178.44 178.61 1i6d h ILE 93 N 0.59 1.26 -0.75 4.05 2.04 -1.10 0.78 117.51 124.38 1i6d h ILE 93 Ca 0.19 -0.96 0.11 0.00 1.00 0.00 0.00 64.86 65.20 1i6d h ILE 93 Cb -0.00 0.49 -0.08 0.00 -0.74 0.00 0.00 36.82 36.49 1i6d h ILE 93 CO -0.08 0.37 0.36 0.00 0.00 0.00 0.00 178.15 178.81 1i6d h ALA 94 N 1.10 1.06 -0.26 1.87 0.00 -1.18 0.07 119.26 121.92 1i6d h ALA 94 Ca 0.23 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1i6d h ALA 94 Cb 0.35 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1i6d h ALA 94 CO -0.00 -0.09 0.15 -0.92 0.00 0.00 0.00 179.25 178.40 1i6d h TYR 95 N 0.58 0.35 -0.72 0.00 3.20 -1.02 -2.46 116.97 116.89 1i6d h TYR 95 Ca 0.39 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.32 1i6d h TYR 95 Cb 0.48 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.59 1i6d h TYR 95 CO -0.12 0.28 0.47 -0.07 -1.64 0.00 0.00 178.16 177.09 1i6d h LEU 96 N 0.32 0.65 -0.85 2.82 3.38 -0.66 0.12 115.31 121.08 1i6d h LEU 96 Ca 0.09 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1i6d h LEU 96 Cb 0.03 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1i6d h LEU 96 CO -0.02 0.41 0.50 -0.33 0.09 0.00 0.00 178.44 179.09 1i6d h GLU 97 N 0.73 1.17 -0.52 1.13 5.08 -0.97 -3.09 114.58 118.11 1i6d h GLU 97 Ca 0.31 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 1i6d h GLU 97 Cb 0.29 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1i6d h GLU 97 CO -0.11 0.83 0.08 0.78 -1.00 0.00 0.00 179.01 179.60 1i6d h GLY 98 N 1.17 0.89 -5.79 -3.84 0.00 -0.99 -3.32 103.07 91.19 1i6d h GLY 98 Ca 0.30 -0.54 -0.75 0.00 0.00 0.00 0.00 47.33 46.34 1i6d h GLY 98 CO -0.05 0.51 2.15 -1.06 0.00 0.00 0.00 176.54 178.08 1i6d n GLN 99 N -4.25 4.71 0.00 4.80 1.13 -0.01 -5.07 117.38 118.68 1i6d n GLN 99 Ca 0.03 -3.68 0.00 0.00 -1.94 0.00 0.00 57.00 51.41 1i6d n GLN 99 Cb 0.26 -2.61 0.00 0.00 0.11 0.00 0.00 30.24 27.99 1i6d n GLN 99 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56