#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 4.14 -3.15 -5.12 0.00 -1.26 -2.52 120.51 112.60 1i6d n ALA 2 Ca 0.00 -4.74 -0.39 0.00 0.00 0.00 0.00 53.44 48.31 1i6d n ALA 2 Cb 0.00 -1.16 -0.12 0.00 0.00 0.00 0.00 19.45 18.17 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 -2.13 5.47 0.43 0.00 -1.08 -1.26 -4.87 116.67 113.22 1i6d s ASP 3 Ca 0.36 -1.18 0.20 0.00 -0.52 0.00 0.00 52.55 51.41 1i6d s ASP 3 Cb 0.10 -1.92 0.99 0.00 -1.46 0.00 0.00 42.92 40.63 1i6d s ASP 3 CO -0.02 -0.38 1.90 1.55 0.52 0.00 0.00 175.17 178.74 1i6d h PRO 4 N 8.30 0.00 0.06 4.34 0.13 -1.85 -1.30 132.00 141.68 1i6d h PRO 4 Ca -0.23 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1i6d h PRO 4 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1i6d h PRO 4 CO 0.64 0.27 -0.03 0.00 -0.23 0.00 0.00 178.00 178.65 1i6d h ALA 5 N 1.73 -0.09 -0.96 -0.56 0.00 -1.96 -0.84 119.26 116.59 1i6d h ALA 5 Ca -0.00 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1i6d h ALA 5 Cb 0.58 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1i6d h ALA 5 CO 0.03 -0.52 0.62 0.00 0.00 0.00 0.00 179.25 179.39 1i6d h ALA 6 N 0.79 1.47 -0.98 0.00 0.00 -1.91 -3.01 119.26 115.62 1i6d h ALA 6 Ca -0.01 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.04 1i6d h ALA 6 Cb 0.12 -0.28 -0.09 0.00 0.00 0.00 0.00 17.79 17.54 1i6d h ALA 6 CO 0.01 0.39 0.61 0.78 0.00 0.00 0.00 179.25 181.04 1i6d h GLY 7 N 1.09 1.58 0.82 0.00 0.00 -1.06 -2.35 103.07 103.16 1i6d h GLY 7 Ca 0.42 -0.36 0.04 0.00 0.00 0.00 0.00 47.33 47.42 1i6d h GLY 7 CO -0.17 0.04 0.44 -2.09 0.00 0.00 0.00 176.54 174.77 1i6d h GLU 8 N 0.81 0.82 -0.42 4.80 4.22 -1.01 0.84 114.58 124.65 1i6d h GLU 8 Ca 0.52 -0.05 -0.13 0.00 0.08 0.00 0.00 59.36 59.78 1i6d h GLU 8 Cb 0.75 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1i6d h GLU 8 CO -0.30 0.54 -0.28 1.57 -2.18 0.00 0.00 179.01 178.37 1i6d h LYS 9 N 0.85 0.89 -0.90 1.92 2.10 -1.57 -3.03 116.57 116.82 1i6d h LYS 9 Ca 0.30 -0.40 0.01 0.00 -2.00 0.00 0.00 60.65 58.56 1i6d h LYS 9 Cb 0.07 -0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 31.33 1i6d h LYS 9 CO -0.13 1.05 0.60 0.28 -2.00 0.00 0.00 179.45 179.25 1i6d h VAL 10 N 0.76 1.22 0.00 0.07 2.07 -1.35 -2.47 116.25 116.55 1i6d h VAL 10 Ca 0.09 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1i6d h VAL 10 Cb 0.84 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1i6d h VAL 10 CO 0.07 0.22 0.09 0.15 0.02 0.00 0.00 177.57 178.13 1i6d h PHE 11 N 1.21 0.00 -1.13 1.57 3.04 -0.83 -2.63 116.94 118.17 1i6d h PHE 11 Ca 0.34 0.00 0.36 0.00 3.98 0.00 0.00 57.97 62.65 1i6d h PHE 11 Cb -0.12 0.00 -0.14 0.00 2.56 0.00 0.00 35.95 38.25 1i6d h PHE 11 CO -0.01 0.00 0.69 0.78 -2.02 0.00 0.00 178.31 177.75 1i6d h GLY 12 N 0.00 1.67 2.00 2.40 0.00 -1.32 -0.56 103.07 107.26 1i6d h GLY 12 Ca 0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 1i6d h GLY 12 CO 0.00 -0.43 -0.35 0.50 0.00 0.00 0.00 176.54 176.26 1i6d h LYS 13 N 0.22 0.00 0.19 4.80 1.57 -1.67 -3.35 116.57 118.33 1i6d h LYS 13 Ca 0.76 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 59.21 1i6d h LYS 13 Cb 2.04 0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.36 1i6d h LYS 13 CO -0.50 0.35 -1.54 0.00 -0.57 0.00 0.00 179.45 177.19 1i6d h LYS 15 N 0.01 0.00 -0.91 0.00 2.10 -1.30 -0.81 116.57 115.66 1i6d h LYS 15 Ca -0.30 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.40 1i6d h LYS 15 Cb 2.03 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 33.30 1i6d h LYS 15 CO 0.19 0.00 0.58 0.00 -2.00 0.00 0.00 179.45 178.22 1i6d h ALA 16 N 1.78 1.22 0.09 0.07 0.00 -1.82 -3.34 119.26 117.26 1i6d h ALA 16 Ca 0.20 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.75 1i6d h ALA 16 Cb 0.83 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1i6d h ALA 16 CO -0.00 0.40 -1.83 0.00 0.00 0.00 0.00 179.25 177.82 1i6d s HIS 18 N -2.50 2.91 -0.15 0.00 3.76 -0.36 -1.47 115.29 117.47 1i6d s HIS 18 Ca -0.25 -0.49 -0.06 0.00 -0.15 0.00 0.00 55.06 54.10 1i6d s HIS 18 Cb 0.07 -1.90 -0.04 0.00 1.11 0.00 0.00 32.58 31.82 1i6d s HIS 18 CO 0.71 -0.14 0.07 0.15 -0.85 0.00 0.00 174.74 174.68 1i6d s LYS 19 N 0.37 3.68 0.25 1.40 -0.14 -1.26 -4.10 119.74 119.94 1i6d s LYS 19 Ca -0.08 -0.30 0.25 0.00 -1.36 0.00 0.00 55.97 54.48 1i6d s LYS 19 Cb -0.15 -3.14 0.64 0.00 -1.68 0.00 0.00 37.83 33.50 1i6d s LYS 19 CO 0.04 0.47 1.67 -0.07 -0.76 0.00 0.00 175.35 176.71 1i6d h LEU 20 N 6.02 0.00 -5.03 3.17 3.38 -1.94 -2.90 115.31 118.01 1i6d h LEU 20 Ca -0.44 -0.02 -0.65 0.00 0.09 0.00 0.00 57.88 56.86 1i6d h LEU 20 Cb 1.18 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.73 1i6d h LEU 20 CO 0.65 0.01 0.98 0.47 0.09 0.00 0.00 178.44 180.65 1i6d n ASP 21 N -2.43 7.12 -2.36 -0.43 8.00 -1.26 -4.53 116.55 120.66 1i6d n ASP 21 Ca 0.05 -3.42 -0.17 0.00 0.71 0.00 0.00 54.79 51.96 1i6d n ASP 21 Cb 0.46 -1.20 -0.01 0.00 -0.02 0.00 0.00 41.12 40.34 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 0.54 -0.37 3.20 0.44 0.00 -1.26 -5.00 105.19 102.74 1i6d n GLY 22 Ca 0.52 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.07 4.96 -0.25 1.61 0.01 -1.26 -4.97 114.94 112.96 1i6d s ASN 23 Ca 0.00 -1.22 -0.24 0.00 -0.71 0.00 0.00 52.86 50.68 1i6d s ASN 23 Cb 0.00 -1.74 -0.01 0.00 0.41 0.00 0.00 41.25 39.91 1i6d s ASN 23 CO 0.00 -0.27 0.81 1.51 -1.51 0.00 0.00 177.10 177.64 1i6d s ASP 24 N 1.29 6.79 0.00 -1.22 1.47 -1.26 -3.90 116.67 119.83 1i6d s ASP 24 Ca -0.04 0.96 0.00 0.00 1.18 0.00 0.00 52.55 54.65 1i6d s ASP 24 Cb -0.20 -2.43 0.00 0.00 -0.34 0.00 0.00 42.92 39.96 1i6d s ASP 24 CO -0.00 -0.52 0.00 0.61 0.68 0.00 0.00 175.17 175.93 1i6d n GLY 25 N 3.84 1.14 0.11 2.12 0.00 -1.26 -4.96 105.19 106.18 1i6d n GLY 25 Ca 0.05 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 0.94 -2.06 1.61 2.07 -1.91 -3.47 116.25 113.44 1i6d h VAL 26 Ca 0.00 -1.36 -0.49 0.00 0.82 0.00 0.00 66.70 65.66 1i6d h VAL 26 Cb 0.00 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1i6d h VAL 26 CO 0.00 0.27 -0.48 -0.83 0.02 0.00 0.00 177.57 176.55 1i6d s GLY 27 N -3.50 1.53 -0.00 2.17 0.00 -0.54 -5.01 107.32 101.95 1i6d s GLY 27 Ca -0.12 -1.49 -0.30 0.00 0.00 0.00 0.00 44.72 42.81 1i6d s GLY 27 CO 0.46 -1.48 1.18 2.56 0.00 0.00 0.00 173.10 175.82 1i6d s PRO 28 N -3.92 4.40 -0.21 2.90 0.04 -1.26 -4.57 135.00 132.38 1i6d s PRO 28 Ca 0.36 1.69 -0.36 0.00 0.04 0.00 0.00 61.00 62.74 1i6d s PRO 28 Cb -0.07 -3.47 -0.17 0.00 0.04 0.00 0.00 34.50 30.83 1i6d s PRO 28 CO 0.26 -0.34 1.11 -2.39 0.04 0.00 0.00 177.00 175.68 1i6d n HIS 29 N 4.59 0.99 1.55 0.56 1.44 -1.25 -4.77 115.22 118.33 1i6d n HIS 29 Ca 0.10 0.92 0.12 0.00 -2.01 0.00 0.00 57.72 56.84 1i6d n HIS 29 Cb 0.47 -1.79 0.51 0.00 0.12 0.00 0.00 29.99 29.30 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 2.27 1.07 -4.63 2.39 4.77 -1.09 -4.78 117.00 116.99 1i6d n LEU 30 Ca 0.21 -0.42 -0.43 0.00 -0.03 0.00 0.00 56.01 55.35 1i6d n LEU 30 Cb 0.01 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1i6d n LEU 30 CO 0.63 0.21 1.40 0.54 -1.33 0.00 0.00 177.39 178.84 1i6d s ASN 31 N -1.71 6.35 -0.07 -1.43 4.22 -1.26 -3.22 114.94 117.81 1i6d s ASN 31 Ca 0.34 1.71 -0.00 0.00 -2.14 0.00 0.00 52.86 52.76 1i6d s ASN 31 Cb 0.18 -2.53 0.00 0.00 1.28 0.00 0.00 41.25 40.18 1i6d s ASN 31 CO 0.28 -1.27 0.05 0.61 -2.04 0.00 0.00 177.10 174.73 1i6d n GLY 32 N 4.69 0.82 0.10 0.45 0.00 -0.43 -4.97 105.19 105.84 1i6d n GLY 32 Ca 0.19 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 1i6d n GLY 32 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1i6d n VAL 33 N -2.78 1.64 -2.30 1.61 3.14 -1.20 -4.57 118.33 113.87 1i6d n VAL 33 Ca -0.00 -0.76 -0.43 0.00 -2.96 0.00 0.00 64.34 60.19 1i6d n VAL 33 Cb 0.50 -1.19 -0.02 0.00 -1.06 0.00 0.00 33.84 32.08 1i6d n VAL 33 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1i6d s VAL 34 N -2.58 3.99 0.00 1.55 1.01 -1.26 -1.70 120.40 121.40 1i6d s VAL 34 Ca -0.09 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.03 1i6d s VAL 34 Cb 0.08 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1i6d s VAL 34 CO 0.81 -0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1i6d n GLY 35 N 4.29 1.05 3.75 4.51 0.00 0.02 -5.00 105.19 113.82 1i6d n GLY 35 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.37 4.65 0.46 1.61 3.52 -0.69 -4.49 118.95 123.64 1i6d s ARG 36 Ca 0.00 1.76 -0.24 0.00 -0.13 0.00 0.00 55.73 57.12 1i6d s ARG 36 Cb 0.00 -3.22 -0.09 0.00 -1.56 0.00 0.00 34.95 30.09 1i6d s ARG 36 CO 0.00 0.21 1.25 2.41 -0.81 0.00 0.00 175.30 178.35 1i6d n THR 37 N 1.50 2.85 -2.20 4.11 -1.04 -1.26 -0.11 114.28 118.12 1i6d n THR 37 Ca -0.00 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.08 1i6d n THR 37 Cb 0.45 -1.53 -0.03 0.00 -1.82 0.00 0.00 70.33 67.40 1i6d n THR 37 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1i6d s VAL 38 N -1.24 3.77 -1.04 12.58 1.01 -0.55 -1.18 120.40 133.74 1i6d s VAL 38 Ca 0.64 1.07 -0.01 0.00 0.00 0.00 0.00 61.98 63.68 1i6d s VAL 38 Cb -0.49 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1i6d s VAL 38 CO 0.56 -0.04 0.15 0.00 0.00 0.00 0.00 175.10 175.77 1i6d n ALA 39 N 5.99 -0.47 -2.25 5.51 0.00 -1.26 -4.75 120.51 123.28 1i6d n ALA 39 Ca 0.14 0.13 -0.39 0.00 0.00 0.00 0.00 53.44 53.33 1i6d n ALA 39 Cb 0.44 -1.97 0.03 0.00 0.00 0.00 0.00 19.45 17.94 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 -1.10 5.78 2.71 0.00 0.00 -0.33 -4.80 105.19 107.46 1i6d n GLY 40 Ca -0.12 -2.55 -0.28 0.00 0.00 0.00 0.00 46.02 43.07 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 -4.82 0.52 -0.58 1.61 1.01 -1.26 -4.80 120.40 112.08 1i6d s VAL 41 Ca 0.47 -0.75 -0.27 0.00 0.00 0.00 0.00 61.98 61.43 1i6d s VAL 41 Cb 0.34 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.57 1i6d s VAL 41 CO -0.29 -0.37 1.57 -1.81 0.00 0.00 0.00 175.10 174.20 1i6d s ASP 42 N 1.84 5.84 0.00 3.32 1.01 -1.26 -2.67 116.67 124.75 1i6d s ASP 42 Ca 0.02 0.30 0.00 0.00 0.71 0.00 0.00 52.55 53.58 1i6d s ASP 42 Cb -0.17 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.22 1i6d s ASP 42 CO -0.15 -1.94 0.00 0.61 0.21 0.00 0.00 175.17 173.91 1i6d n GLY 43 N 5.43 3.35 3.79 0.21 0.00 -1.26 -5.15 105.19 111.56 1i6d n GLY 43 Ca 0.15 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 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 3.82 -0.94 1.61 5.36 -1.09 -5.04 117.98 121.70 1i6d s PHE 44 Ca 0.00 1.40 -0.23 0.00 -0.96 0.00 0.00 56.93 57.14 1i6d s PHE 44 Cb 0.00 -2.64 0.05 0.00 -0.34 0.00 0.00 43.02 40.10 1i6d s PHE 44 CO 0.00 0.50 1.37 1.21 -1.46 0.00 0.00 175.22 176.83 1i6d s ASN 45 N -0.88 6.43 0.48 6.13 2.47 -1.26 -4.96 114.94 123.35 1i6d s ASN 45 Ca 0.32 -1.29 -0.20 0.00 0.42 0.00 0.00 52.86 52.12 1i6d s ASN 45 Cb -0.21 -2.55 -0.09 0.00 -1.45 0.00 0.00 41.25 36.96 1i6d s ASN 45 CO 0.22 -1.53 1.01 -0.31 -3.72 0.00 0.00 177.10 172.76 1i6d s TYR 46 N 4.87 3.14 0.58 0.43 2.02 -1.26 -5.07 117.35 122.07 1i6d s TYR 46 Ca 0.42 1.57 -0.19 0.00 -0.37 0.00 0.00 57.07 58.49 1i6d s TYR 46 Cb -0.03 -2.97 -0.04 0.00 -0.40 0.00 0.00 41.96 38.53 1i6d s TYR 46 CO -0.04 -0.59 1.23 0.45 -1.57 0.00 0.00 175.55 175.02 1i6d s SER 47 N -2.24 5.21 0.17 2.29 0.15 -1.26 -4.88 113.70 113.14 1i6d s SER 47 Ca 0.64 2.44 -0.14 0.00 0.70 0.00 0.00 55.95 59.60 1i6d s SER 47 Cb -0.13 -2.60 0.10 0.00 -1.71 0.00 0.00 66.02 61.67 1i6d s SER 47 CO 0.21 -1.58 1.81 0.44 1.20 0.00 0.00 173.24 175.31 1i6d h ASP 48 N 0.99 0.47 0.03 5.45 5.19 -1.98 -1.84 116.42 124.74 1i6d h ASP 48 Ca -0.50 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1i6d h ASP 48 Cb 1.30 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 40.72 1i6d h ASP 48 CO 0.55 0.33 -0.02 -0.65 -3.12 0.00 0.00 179.24 176.34 1i6d h PRO 49 N 0.58 0.00 -0.27 3.56 0.11 -1.85 0.15 132.00 134.28 1i6d h PRO 49 Ca 0.20 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.25 1i6d h PRO 49 Cb 0.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 1i6d h PRO 49 CO -0.10 0.02 -0.08 1.98 -0.21 0.00 0.00 178.00 179.62 1i6d h MET 50 N 0.00 0.54 -0.28 1.05 4.05 -1.77 -2.88 114.93 115.63 1i6d h MET 50 Ca -0.00 -0.21 -0.02 0.00 -0.28 0.00 0.00 59.70 59.19 1i6d h MET 50 Cb 0.04 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 1i6d h MET 50 CO 0.00 0.75 0.11 0.87 0.23 0.00 0.00 176.91 178.87 1i6d h LYS 51 N 0.29 0.42 -0.96 0.39 1.57 -1.02 -3.15 116.57 114.11 1i6d h LYS 51 Ca 0.07 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1i6d h LYS 51 Cb 0.56 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 1i6d h LYS 51 CO 0.03 0.45 0.08 0.00 -0.57 0.00 0.00 179.45 179.44 1i6d n ALA 52 N -2.27 3.00 -0.01 3.86 0.00 0.01 -4.57 120.51 120.54 1i6d n ALA 52 Ca -0.02 -0.52 -0.01 0.00 0.00 0.00 0.00 53.44 52.88 1i6d n ALA 52 Cb 0.13 -1.07 -0.01 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 0.46 -0.08 -2.05 0.00 6.17 -1.46 -3.48 115.15 114.72 1i6d h HIS 53 Ca 0.08 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.16 1i6d h HIS 53 Cb 1.15 0.03 0.00 0.00 2.52 0.00 0.00 27.41 31.11 1i6d h HIS 53 CO 0.29 -0.04 0.00 0.41 0.71 0.00 0.00 177.93 179.30 1i6d n GLY 54 N 1.55 -1.89 0.00 5.26 0.00 -1.26 -5.13 105.19 103.72 1i6d n GLY 54 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.02 -1.75 3.13 -0.02 0.00 -1.26 -5.04 105.19 100.23 1i6d n GLY 55 Ca 0.00 -1.11 -0.16 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 -0.65 1.36 -1.30 1.61 1.01 -1.26 -1.48 116.67 115.95 1i6d s ASP 56 Ca 0.00 -0.62 -0.16 0.00 0.71 0.00 0.00 52.55 52.49 1i6d s ASP 56 Cb 0.00 -0.01 0.10 0.00 1.01 0.00 0.00 42.92 44.01 1i6d s ASP 56 CO 0.00 -0.14 1.76 0.79 0.21 0.00 0.00 175.17 177.79 1i6d n TRP 57 N 1.26 4.43 -1.76 4.23 7.02 0.84 -4.89 117.44 128.57 1i6d n TRP 57 Ca -0.21 -2.98 -0.31 0.00 -1.02 0.00 0.00 57.50 52.98 1i6d n TRP 57 Cb 0.55 -2.47 0.03 0.00 -2.42 0.00 0.00 31.31 26.99 1i6d n TRP 57 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1i6d s THR 58 N 3.16 4.41 0.22 -0.99 -4.23 -1.26 -0.80 115.64 116.14 1i6d s THR 58 Ca 0.49 0.79 -0.09 0.00 -1.18 0.00 0.00 61.69 61.70 1i6d s THR 58 Cb 0.04 -3.66 0.20 0.00 1.34 0.00 0.00 72.50 70.42 1i6d s THR 58 CO 0.03 -1.01 1.68 1.55 -0.54 0.00 0.00 174.62 176.33 1i6d h PRO 59 N -0.45 0.18 -0.68 3.99 0.13 -1.99 0.45 132.00 133.63 1i6d h PRO 59 Ca -0.44 -0.01 0.10 0.00 -0.87 0.00 0.00 66.00 64.78 1i6d h PRO 59 Cb 1.20 -0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 1i6d h PRO 59 CO 0.60 0.12 0.30 1.05 -0.23 0.00 0.00 178.00 179.84 1i6d h GLU 60 N 0.18 0.50 -0.17 0.86 4.11 -1.99 -0.60 114.58 117.47 1i6d h GLU 60 Ca 0.34 -0.03 -0.05 0.00 0.07 0.00 0.00 59.36 59.69 1i6d h GLU 60 Cb 0.55 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1i6d h GLU 60 CO -0.49 0.33 -0.08 0.00 0.07 0.00 0.00 179.01 178.84 1i6d h ALA 61 N 1.44 0.24 -0.32 1.06 0.00 -1.78 -3.05 119.26 116.85 1i6d h ALA 61 Ca 0.34 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1i6d h ALA 61 Cb 0.40 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1i6d h ALA 61 CO -0.29 0.06 0.07 -0.07 0.00 0.00 0.00 179.25 179.02 1i6d h LEU 62 N 0.05 0.03 -1.04 0.00 3.38 -0.91 -1.38 115.31 115.45 1i6d h LEU 62 Ca 0.04 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1i6d h LEU 62 Cb 0.56 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1i6d h LEU 62 CO 0.03 0.05 0.04 0.06 0.09 0.00 0.00 178.44 178.71 1i6d h GLN 63 N 0.19 0.73 0.30 1.13 -0.00 -1.22 0.77 115.11 117.00 1i6d h GLN 63 Ca 0.15 -0.17 -0.01 0.00 -0.00 0.00 0.00 58.65 58.62 1i6d h GLN 63 Cb 0.16 -0.10 0.00 0.00 -0.00 0.00 0.00 27.48 27.54 1i6d h GLN 63 CO -0.19 0.72 -0.14 0.93 -0.00 0.00 0.00 178.83 180.14 1i6d h GLU 64 N 0.69 -0.38 -0.67 0.06 5.08 -1.51 -1.85 114.58 116.00 1i6d h GLU 64 Ca 0.15 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.57 1i6d h GLU 64 Cb 0.37 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1i6d h GLU 64 CO 0.01 -0.21 0.41 0.35 -1.00 0.00 0.00 179.01 178.58 1i6d h PHE 65 N -0.47 0.77 0.00 4.33 3.57 -1.16 -2.63 116.94 121.34 1i6d h PHE 65 Ca -0.04 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1i6d h PHE 65 Cb 0.35 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1i6d h PHE 65 CO -0.04 0.43 0.00 1.28 -2.23 0.00 0.00 178.31 177.75 1i6d n LEU 66 N -4.70 0.45 0.22 0.59 4.77 0.26 -1.35 117.00 117.24 1i6d n LEU 66 Ca 0.07 0.59 -0.13 0.00 -0.03 0.00 0.00 56.01 56.52 1i6d n LEU 66 Cb 0.10 -0.51 -0.07 0.00 -2.33 0.00 0.00 43.42 40.61 1i6d n LEU 66 CO 0.32 -0.37 0.42 0.74 -1.33 0.00 0.00 177.39 177.17 1i6d h THR 67 N 0.00 0.35 -2.46 -5.08 2.02 -0.96 0.20 112.91 106.97 1i6d h THR 67 Ca 0.00 -0.54 -0.36 0.00 0.77 0.00 0.00 66.41 66.28 1i6d h THR 67 Cb 0.40 0.51 -0.36 0.00 -1.74 0.00 0.00 68.15 66.97 1i6d h THR 67 CO 0.00 0.06 -0.66 0.21 0.37 0.00 0.00 175.52 175.51 1i6d s ASN 68 N -4.87 1.84 0.25 4.18 3.84 -1.12 -4.19 114.94 114.86 1i6d s ASN 68 Ca -0.13 -0.57 0.04 0.00 0.21 0.00 0.00 52.86 52.41 1i6d s ASN 68 Cb 0.02 0.29 0.31 0.00 -0.55 0.00 0.00 41.25 41.31 1i6d s ASN 68 CO 0.44 -0.37 1.60 1.55 -2.79 0.00 0.00 177.10 177.54 1i6d h PRO 69 N 8.31 0.27 -0.14 0.43 0.13 -1.42 -2.93 132.00 136.65 1i6d h PRO 69 Ca -0.16 -0.16 -0.07 0.00 -0.87 0.00 0.00 66.00 64.73 1i6d h PRO 69 Cb 1.11 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1i6d h PRO 69 CO 0.32 0.73 -0.24 0.87 -0.23 0.00 0.00 178.00 179.45 1i6d h LYS 70 N 0.21 0.24 -0.15 0.86 6.56 -1.85 -1.15 116.57 121.29 1i6d h LYS 70 Ca 0.00 -0.08 -0.06 0.00 -1.06 0.00 0.00 60.65 59.46 1i6d h LYS 70 Cb 1.00 -0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.64 1i6d h LYS 70 CO 0.08 0.48 -0.13 0.00 -2.06 0.00 0.00 179.45 177.83 1i6d h ALA 71 N 1.53 0.22 -0.06 3.86 0.00 -1.96 -3.29 119.26 119.57 1i6d h ALA 71 Ca 0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1i6d h ALA 71 Cb 0.56 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1i6d h ALA 71 CO 0.04 0.08 -0.10 0.28 0.00 0.00 0.00 179.25 179.55 1i6d h VAL 72 N -0.00 1.40 -3.40 0.00 2.07 -1.54 -3.39 116.25 111.40 1i6d h VAL 72 Ca 0.03 -1.36 -0.71 0.00 0.82 0.00 0.00 66.70 65.48 1i6d h VAL 72 Cb 0.64 2.16 -0.32 0.00 -1.52 0.00 0.00 31.29 32.26 1i6d h VAL 72 CO 0.03 0.37 -0.45 -0.69 0.02 0.00 0.00 177.57 176.86 1i6d s VAL 73 N -4.06 3.82 -0.71 2.57 1.01 -0.44 -5.07 120.40 117.52 1i6d s VAL 73 Ca -0.15 -1.97 -0.27 0.00 0.00 0.00 0.00 61.98 59.59 1i6d s VAL 73 Cb 0.03 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.87 1i6d s VAL 73 CO 0.72 -0.75 1.47 -0.75 0.00 0.00 0.00 175.10 175.78 1i6d s LYS 74 N 1.18 3.03 0.00 2.72 2.20 -1.24 -2.39 119.74 125.23 1i6d s LYS 74 Ca 0.08 -0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.67 1i6d s LYS 74 Cb -0.24 -4.29 0.00 0.00 -1.51 0.00 0.00 37.83 31.79 1i6d s LYS 74 CO -0.02 -2.34 0.00 0.41 -0.36 0.00 0.00 175.35 173.03 1i6d n GLY 75 N 5.54 1.17 3.77 5.54 0.00 -1.26 -4.73 105.19 115.21 1i6d n GLY 75 Ca 0.10 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.19 3.11 -2.00 2.61 -1.32 -1.00 -4.50 115.64 110.34 1i6d s THR 76 Ca 0.00 0.91 0.16 0.00 -1.21 0.00 0.00 61.69 61.54 1i6d s THR 76 Cb 0.00 -3.50 0.45 0.00 -1.51 0.00 0.00 72.50 67.94 1i6d s THR 76 CO 0.00 0.06 1.54 2.29 -2.21 0.00 0.00 174.62 176.30 1i6d n LYS 77 N -0.08 0.91 -2.46 7.08 2.85 -1.26 -4.84 118.16 120.36 1i6d n LYS 77 Ca 0.05 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.89 1i6d n LYS 77 Cb 0.47 -1.27 -0.02 0.00 -0.65 0.00 0.00 35.03 33.55 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 -2.00 3.53 -1.32 -1.58 1.75 -1.26 -4.97 119.30 113.45 1i6d s MET 78 Ca 0.24 0.62 -0.16 0.00 -1.25 0.00 0.00 55.69 55.13 1i6d s MET 78 Cb 0.11 -4.02 0.08 0.00 2.84 0.00 0.00 34.83 33.84 1i6d s MET 78 CO 0.18 -1.64 1.81 0.00 -0.65 0.00 0.00 175.02 174.73 1i6d n ALA 79 N 8.73 4.04 -3.73 4.11 0.00 -1.26 -4.85 120.51 127.54 1i6d n ALA 79 Ca 0.13 -3.91 -0.14 0.00 0.00 0.00 0.00 53.44 49.52 1i6d n ALA 79 Cb 0.49 -3.52 -0.15 0.00 0.00 0.00 0.00 19.45 16.27 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 3.63 -0.14 -0.06 0.00 5.36 -1.26 -5.10 117.98 120.41 1i6d s PHE 80 Ca 0.51 0.46 -0.14 0.00 -0.96 0.00 0.00 56.93 56.80 1i6d s PHE 80 Cb 0.05 -0.15 -0.09 0.00 -0.34 0.00 0.00 43.02 42.50 1i6d s PHE 80 CO 0.04 -0.18 0.55 0.00 -1.46 0.00 0.00 175.22 174.17 1i6d h ALA 81 N 7.48 -0.30 0.00 11.12 0.00 -1.95 -3.41 119.26 132.20 1i6d h ALA 81 Ca -0.37 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1i6d h ALA 81 Cb 1.13 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1i6d h ALA 81 CO 0.37 -0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.73 1i6d n GLY 82 N 0.84 2.89 3.32 0.00 0.00 -1.26 -4.41 105.19 106.57 1i6d n GLY 82 Ca -0.06 -0.58 -0.46 0.00 0.00 0.00 0.00 46.02 44.93 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 6.09 0.28 0.99 1.43 0.71 -5.00 118.68 123.18 1i6d s LEU 83 Ca 0.00 -1.78 0.07 0.00 -1.03 0.00 0.00 54.13 51.39 1i6d s LEU 83 Cb 0.00 -2.22 0.40 0.00 0.03 0.00 0.00 46.19 44.39 1i6d s LEU 83 CO 0.00 -0.89 1.65 1.55 0.23 0.00 0.00 176.35 178.89 1i6d h PRO 84 N 8.88 0.16 -5.98 1.29 0.13 -1.87 -3.40 132.00 131.21 1i6d h PRO 84 Ca -0.28 -0.09 -0.57 0.00 -0.87 0.00 0.00 66.00 64.19 1i6d h PRO 84 Cb 1.09 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.17 1i6d h PRO 84 CO 1.04 0.64 0.20 0.15 -0.23 0.00 0.00 178.00 179.79 1i6d s LYS 85 N -3.91 4.37 0.23 0.86 1.02 -1.26 -5.01 119.74 116.05 1i6d s LYS 85 Ca -0.03 0.92 -0.07 0.00 0.02 0.00 0.00 55.97 56.80 1i6d s LYS 85 Cb 0.13 -3.50 0.38 0.00 -0.52 0.00 0.00 37.83 34.31 1i6d s LYS 85 CO 0.77 -0.10 1.70 0.97 -0.92 0.00 0.00 175.35 177.78 1i6d h ILE 86 N 4.95 0.61 -0.89 2.17 6.09 -2.00 -2.74 117.51 125.69 1i6d h ILE 86 Ca -0.36 -0.10 0.04 0.00 -1.37 0.00 0.00 64.86 63.06 1i6d h ILE 86 Cb 1.17 0.28 -0.05 0.00 0.47 0.00 0.00 36.82 38.69 1i6d h ILE 86 CO 0.78 0.06 0.59 1.05 -3.07 0.00 0.00 178.15 177.55 1i6d h GLU 87 N 0.30 1.08 -0.69 2.19 -0.00 -1.95 0.54 114.58 116.05 1i6d h GLU 87 Ca 0.37 -0.07 -0.06 0.00 -0.00 0.00 0.00 59.36 59.60 1i6d h GLU 87 Cb 0.57 -0.24 -0.03 0.00 -0.00 0.00 0.00 28.75 29.05 1i6d h GLU 87 CO -0.43 0.72 0.21 -0.44 -0.00 0.00 0.00 179.01 179.06 1i6d h ASP 88 N 1.12 1.02 0.41 3.06 3.32 -1.80 0.59 116.42 124.14 1i6d h ASP 88 Ca 0.36 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 1i6d h ASP 88 Cb 0.03 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.31 1i6d h ASP 88 CO -0.11 0.96 -0.20 0.03 -1.72 0.00 0.00 179.24 178.21 1i6d h ARG 89 N 1.02 -0.53 -0.85 3.56 3.08 -1.28 -2.40 114.38 116.98 1i6d h ARG 89 Ca 0.22 0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.33 1i6d h ARG 89 Cb 0.31 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 1i6d h ARG 89 CO -0.01 -0.34 0.56 0.00 -1.07 0.00 0.00 179.97 179.12 1i6d h ALA 90 N 0.00 1.42 0.09 0.04 0.00 -0.90 0.48 119.26 120.38 1i6d h ALA 90 Ca -0.06 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1i6d h ALA 90 Cb 0.44 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1i6d h ALA 90 CO 0.09 0.53 -0.14 -0.91 0.00 0.00 0.00 179.25 178.82 1i6d h ASN 91 N 1.12 -0.38 -0.49 0.00 2.35 -0.57 -0.38 115.58 117.23 1i6d h ASN 91 Ca 0.32 0.04 0.03 0.00 -0.55 0.00 0.00 56.30 56.14 1i6d h ASN 91 Cb -0.08 0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 1i6d h ASN 91 CO -0.08 -0.20 0.28 0.25 -1.65 0.00 0.00 177.43 176.02 1i6d h LEU 92 N -0.28 0.43 -0.80 1.61 6.46 -1.31 -2.45 115.31 118.97 1i6d h LEU 92 Ca 0.02 0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.71 1i6d h LEU 92 Cb 0.29 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 1i6d h LEU 92 CO -0.07 0.30 -0.04 0.40 -0.62 0.00 0.00 178.44 178.41 1i6d h ILE 93 N 0.55 1.25 -0.81 4.05 2.04 -0.88 0.36 117.51 124.07 1i6d h ILE 93 Ca 0.20 -1.11 0.14 0.00 1.00 0.00 0.00 64.86 65.09 1i6d h ILE 93 Cb 0.05 0.91 -0.09 0.00 -0.74 0.00 0.00 36.82 36.96 1i6d h ILE 93 CO -0.11 0.39 0.40 0.00 0.00 0.00 0.00 178.15 178.83 1i6d h ALA 94 N 1.16 1.19 -0.37 1.87 0.00 -1.07 0.82 119.26 122.86 1i6d h ALA 94 Ca 0.14 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1i6d h ALA 94 Cb 0.53 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1i6d h ALA 94 CO 0.03 -0.10 0.15 -0.92 0.00 0.00 0.00 179.25 178.41 1i6d h TYR 95 N 0.59 0.55 -0.85 0.00 3.20 -0.92 -2.18 116.97 117.36 1i6d h TYR 95 Ca 0.43 -0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.32 1i6d h TYR 95 Cb 0.60 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.65 1i6d h TYR 95 CO -0.11 0.50 0.55 -0.07 -1.64 0.00 0.00 178.16 177.39 1i6d h LEU 96 N 0.45 0.85 -0.97 2.82 3.38 -0.78 -0.28 115.31 120.78 1i6d h LEU 96 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1i6d h LEU 96 Cb 0.17 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1i6d h LEU 96 CO -0.01 0.55 0.61 -0.33 0.09 0.00 0.00 178.44 179.35 1i6d h GLU 97 N 0.97 1.31 -0.70 1.13 5.08 -0.79 -2.87 114.58 118.70 1i6d h GLU 97 Ca 0.36 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.58 1i6d h GLU 97 Cb 0.18 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1i6d h GLU 97 CO -0.13 0.89 0.29 0.78 -1.00 0.00 0.00 179.01 179.84 1i6d h GLY 98 N 1.33 1.10 -5.27 -3.84 0.00 -1.12 -3.33 103.07 91.94 1i6d h GLY 98 Ca 0.35 -0.57 -0.66 0.00 0.00 0.00 0.00 47.33 46.45 1i6d h GLY 98 CO -0.07 0.54 1.77 -1.06 0.00 0.00 0.00 176.54 177.72 1i6d n GLN 99 N -4.30 3.89 0.00 4.80 1.13 -0.14 -5.08 117.38 117.67 1i6d n GLN 99 Ca 0.06 -3.08 0.12 0.00 -1.94 0.00 0.00 57.00 52.17 1i6d n GLN 99 Cb 0.17 -2.47 0.11 0.00 0.11 0.00 0.00 30.24 28.15 1i6d n GLN 99 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66