#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 -1.05 -2.64 3.04 0.00 -1.24 -4.83 120.51 113.79 1i6d n ALA 2 Ca 0.00 0.32 -0.41 0.00 0.00 0.00 0.00 53.44 53.35 1i6d n ALA 2 Cb 0.00 -4.36 -0.11 0.00 0.00 0.00 0.00 19.45 14.99 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 -2.95 5.92 0.41 0.00 -1.08 -1.26 -4.87 116.67 112.84 1i6d s ASP 3 Ca 0.39 -0.86 0.21 0.00 -0.52 0.00 0.00 52.55 51.77 1i6d s ASP 3 Cb -0.17 -2.09 0.83 0.00 -1.46 0.00 0.00 42.92 40.03 1i6d s ASP 3 CO 0.49 -0.39 1.80 1.55 0.52 0.00 0.00 175.17 179.14 1i6d h PRO 4 N 8.52 0.00 -0.12 4.34 0.13 -1.85 -0.89 132.00 142.13 1i6d h PRO 4 Ca -0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 1i6d h PRO 4 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1i6d h PRO 4 CO 0.69 0.30 0.05 0.00 -0.23 0.00 0.00 178.00 178.81 1i6d h ALA 5 N 1.70 0.15 -0.94 -0.56 0.00 -1.95 -0.92 119.26 116.74 1i6d h ALA 5 Ca -0.00 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1i6d h ALA 5 Cb 0.78 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1i6d h ALA 5 CO 0.04 -0.27 0.62 0.00 0.00 0.00 0.00 179.25 179.63 1i6d h ALA 6 N 0.91 1.22 -0.91 0.00 0.00 -1.92 -3.09 119.26 115.47 1i6d h ALA 6 Ca 0.04 -0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.07 1i6d h ALA 6 Cb 0.14 -0.35 -0.07 0.00 0.00 0.00 0.00 17.79 17.51 1i6d h ALA 6 CO -0.00 0.53 0.59 0.78 0.00 0.00 0.00 179.25 181.14 1i6d h GLY 7 N 1.23 1.13 0.83 0.00 0.00 -1.06 -1.94 103.07 103.27 1i6d h GLY 7 Ca 0.36 -0.26 0.03 0.00 0.00 0.00 0.00 47.33 47.46 1i6d h GLY 7 CO -0.10 0.03 0.27 -2.09 0.00 0.00 0.00 176.54 174.64 1i6d h GLU 8 N 0.58 0.51 -0.36 4.80 4.22 -1.07 0.52 114.58 123.78 1i6d h GLU 8 Ca 0.47 -0.03 -0.12 0.00 0.08 0.00 0.00 59.36 59.76 1i6d h GLU 8 Cb 0.94 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1i6d h GLU 8 CO -0.22 0.34 -0.28 1.57 -2.18 0.00 0.00 179.01 178.25 1i6d h LYS 9 N 0.53 0.77 -0.87 1.92 2.10 -1.56 -3.13 116.57 116.32 1i6d h LYS 9 Ca 0.20 -0.34 0.01 0.00 -2.00 0.00 0.00 60.65 58.53 1i6d h LYS 9 Cb 0.05 -0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 31.32 1i6d h LYS 9 CO -0.11 0.95 0.58 0.28 -2.00 0.00 0.00 179.45 179.15 1i6d h VAL 10 N 0.66 1.21 0.00 0.07 2.07 -1.31 -2.48 116.25 116.47 1i6d h VAL 10 Ca 0.08 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1i6d h VAL 10 Cb 0.80 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1i6d h VAL 10 CO 0.07 0.21 0.00 0.33 0.02 0.00 0.00 177.57 178.20 1i6d n PHE 11 N -4.49 0.38 -0.35 1.57 -0.00 0.17 -1.95 117.46 112.79 1i6d n PHE 11 Ca 0.10 0.20 0.24 0.00 -0.00 0.00 0.00 57.45 57.99 1i6d n PHE 11 Cb 0.03 -0.81 0.49 0.00 -0.00 0.00 0.00 39.48 39.18 1i6d n PHE 11 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1i6d h GLY 12 N 0.00 1.82 2.00 7.13 0.00 -1.39 -0.19 103.07 112.45 1i6d h GLY 12 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1i6d h GLY 12 CO 0.00 -0.39 0.00 0.28 0.00 0.00 0.00 176.54 176.43 1i6d n LYS 13 N -4.91 0.08 -0.10 4.80 5.02 -0.82 -4.06 118.16 118.16 1i6d n LYS 13 Ca 0.31 0.33 -0.14 0.00 -2.02 0.00 0.00 58.31 56.79 1i6d n LYS 13 Cb 0.99 -1.66 -0.10 0.00 -0.02 0.00 0.00 35.03 34.25 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 -0.84 0.00 2.10 -1.24 -1.46 116.57 115.13 1i6d h LYS 15 Ca -0.46 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.23 1i6d h LYS 15 Cb 1.73 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 33.02 1i6d h LYS 15 CO -0.07 0.00 0.55 0.00 -2.00 0.00 0.00 179.45 177.94 1i6d h ALA 16 N 1.79 1.49 0.08 0.07 0.00 -1.87 -3.33 119.26 117.50 1i6d h ALA 16 Ca 0.15 -0.04 -0.37 0.00 0.00 0.00 0.00 54.91 54.66 1i6d h ALA 16 Cb 0.66 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1i6d h ALA 16 CO -0.00 0.42 -2.10 0.00 0.00 0.00 0.00 179.25 177.56 1i6d s HIS 18 N -2.54 2.79 -0.23 0.00 3.76 -0.60 -1.34 115.29 117.13 1i6d s HIS 18 Ca -0.26 -0.58 -0.03 0.00 -0.15 0.00 0.00 55.06 54.03 1i6d s HIS 18 Cb 0.07 -1.81 0.00 0.00 1.11 0.00 0.00 32.58 31.95 1i6d s HIS 18 CO 0.71 -0.16 -0.04 0.15 -0.85 0.00 0.00 174.74 174.55 1i6d s LYS 19 N 0.20 3.24 0.36 1.40 -0.14 -1.25 -4.16 119.74 119.39 1i6d s LYS 19 Ca -0.08 -0.71 0.08 0.00 -1.36 0.00 0.00 55.97 53.90 1i6d s LYS 19 Cb -0.15 -3.01 0.67 0.00 -1.68 0.00 0.00 37.83 33.66 1i6d s LYS 19 CO 0.05 -0.25 1.86 -0.07 -0.76 0.00 0.00 175.35 176.17 1i6d h LEU 20 N 8.10 0.28 -5.24 3.17 3.38 -1.94 -3.30 115.31 119.76 1i6d h LEU 20 Ca -0.40 -0.07 -0.69 0.00 0.09 0.00 0.00 57.88 56.82 1i6d h LEU 20 Cb 1.15 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1i6d h LEU 20 CO 0.60 0.48 3.56 0.47 0.09 0.00 0.00 178.44 183.64 1i6d n ASP 21 N -4.22 7.96 -2.90 -0.43 8.00 -1.26 -4.38 116.55 119.33 1i6d n ASP 21 Ca -0.01 -2.69 -0.20 0.00 0.71 0.00 0.00 54.79 52.61 1i6d n ASP 21 Cb 0.31 -1.55 0.01 0.00 -0.02 0.00 0.00 41.12 39.87 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 3.41 -0.50 3.04 0.44 0.00 -1.25 -5.00 105.19 105.32 1i6d n GLY 22 Ca 0.73 0.07 -0.32 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.46 4.39 -0.23 1.61 0.01 -1.25 -5.01 114.94 112.00 1i6d s ASN 23 Ca 0.22 -1.45 -0.19 0.00 -0.71 0.00 0.00 52.86 50.73 1i6d s ASN 23 Cb -0.11 -1.50 -0.03 0.00 0.41 0.00 0.00 41.25 40.03 1i6d s ASN 23 CO 0.27 -0.22 0.54 1.51 -1.51 0.00 0.00 177.10 177.69 1i6d s ASP 24 N 1.13 6.52 0.00 -1.22 1.47 -1.26 -3.93 116.67 119.37 1i6d s ASP 24 Ca -0.06 0.62 0.00 0.00 1.18 0.00 0.00 52.55 54.29 1i6d s ASP 24 Cb -0.20 -2.30 0.00 0.00 -0.34 0.00 0.00 42.92 40.09 1i6d s ASP 24 CO -0.06 -0.26 0.00 0.61 0.68 0.00 0.00 175.17 176.14 1i6d n GLY 25 N 4.14 0.92 0.18 2.12 0.00 -1.26 -4.97 105.19 106.31 1i6d n GLY 25 Ca -0.04 -0.10 -0.09 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 0.42 -2.04 1.61 2.07 -1.92 -3.46 116.25 112.93 1i6d h VAL 26 Ca 0.00 -0.88 -0.48 0.00 0.82 0.00 0.00 66.70 66.16 1i6d h VAL 26 Cb 0.00 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1i6d h VAL 26 CO 0.00 0.11 -0.45 -0.83 0.02 0.00 0.00 177.57 176.42 1i6d s GLY 27 N -3.13 1.48 0.43 2.17 0.00 -0.45 -5.02 107.32 102.79 1i6d s GLY 27 Ca -0.10 -1.43 -0.23 0.00 0.00 0.00 0.00 44.72 42.96 1i6d s GLY 27 CO 0.34 -1.41 1.12 2.56 0.00 0.00 0.00 173.10 175.71 1i6d s PRO 28 N -3.98 3.93 -0.06 2.90 0.04 -1.26 -4.55 135.00 132.01 1i6d s PRO 28 Ca 0.37 1.68 -0.30 0.00 0.04 0.00 0.00 61.00 62.79 1i6d s PRO 28 Cb -0.08 -2.47 -0.09 0.00 0.04 0.00 0.00 34.50 31.90 1i6d s PRO 28 CO 0.28 -0.39 2.03 -2.39 0.04 0.00 0.00 177.00 176.57 1i6d n HIS 29 N -0.31 2.32 0.79 0.56 1.44 -1.26 -4.62 115.22 114.14 1i6d n HIS 29 Ca 0.06 -0.24 0.02 0.00 -2.01 0.00 0.00 57.72 55.56 1i6d n HIS 29 Cb 0.49 -2.76 0.10 0.00 0.12 0.00 0.00 29.99 27.93 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 8.50 1.83 -4.61 2.39 4.77 -1.24 -4.93 117.00 123.72 1i6d n LEU 30 Ca 0.24 -0.92 -0.43 0.00 -0.03 0.00 0.00 56.01 54.86 1i6d n LEU 30 Cb 0.39 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1i6d n LEU 30 CO 0.69 0.32 1.65 0.54 -1.33 0.00 0.00 177.39 179.25 1i6d s ASN 31 N -0.43 5.80 -1.14 -1.43 2.20 -1.26 -2.51 114.94 116.17 1i6d s ASN 31 Ca 0.13 1.65 -0.07 0.00 -0.94 0.00 0.00 52.86 53.63 1i6d s ASN 31 Cb 0.09 -2.52 0.01 0.00 -2.00 0.00 0.00 41.25 36.83 1i6d s ASN 31 CO 0.05 -1.72 1.00 0.61 -2.94 0.00 0.00 177.10 174.10 1i6d n GLY 32 N 5.42 -0.31 0.24 0.45 0.00 -0.38 -4.90 105.19 105.72 1i6d n GLY 32 Ca 0.25 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.28 0.46 -2.77 1.61 3.04 -1.75 -3.39 116.25 111.17 1i6d h VAL 33 Ca -0.48 -0.88 -0.57 0.00 -1.01 0.00 0.00 66.70 63.76 1i6d h VAL 33 Cb 1.31 1.62 -0.03 0.00 -2.01 0.00 0.00 31.29 32.18 1i6d h VAL 33 CO 0.47 0.16 1.24 -0.69 -1.01 0.00 0.00 177.57 177.74 1i6d s VAL 34 N -3.78 3.55 0.00 1.51 1.01 -1.26 -1.62 120.40 119.81 1i6d s VAL 34 Ca -0.00 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1i6d s VAL 34 Cb 0.11 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1i6d s VAL 34 CO 0.61 -0.48 0.00 0.61 0.00 0.00 0.00 175.10 175.83 1i6d n GLY 35 N 5.36 0.84 3.92 4.51 0.00 0.38 -4.98 105.19 115.22 1i6d n GLY 35 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.61 3.55 0.41 1.61 3.52 -0.64 -4.54 118.95 122.25 1i6d s ARG 36 Ca 0.00 -0.27 -0.26 0.00 -0.13 0.00 0.00 55.73 55.07 1i6d s ARG 36 Cb 0.00 -2.84 -0.10 0.00 -1.56 0.00 0.00 34.95 30.45 1i6d s ARG 36 CO 0.00 0.41 1.34 2.41 -0.81 0.00 0.00 175.30 178.65 1i6d n THR 37 N -0.47 2.49 -2.24 4.11 -1.04 -1.26 -0.36 114.28 115.50 1i6d n THR 37 Ca -0.04 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 61.04 1i6d n THR 37 Cb 0.53 -1.68 -0.02 0.00 -1.82 0.00 0.00 70.33 67.33 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 -1.18 3.95 -0.65 12.58 1.01 -0.29 -2.11 120.40 133.71 1i6d s VAL 38 Ca 0.59 1.13 -0.03 0.00 0.00 0.00 0.00 61.98 63.67 1i6d s VAL 38 Cb -0.50 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 1i6d s VAL 38 CO 0.59 -0.17 0.57 0.00 0.00 0.00 0.00 175.10 176.10 1i6d n ALA 39 N 7.17 -1.85 -2.90 5.51 0.00 -1.26 -4.74 120.51 122.44 1i6d n ALA 39 Ca 0.16 0.08 -0.24 0.00 0.00 0.00 0.00 53.44 53.43 1i6d n ALA 39 Cb 0.44 -3.48 -0.03 0.00 0.00 0.00 0.00 19.45 16.39 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 -1.35 5.06 2.70 0.00 0.00 -0.90 -4.93 105.19 105.76 1i6d n GLY 40 Ca -0.04 -2.49 -0.21 0.00 0.00 0.00 0.00 46.02 43.28 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 -4.17 -0.17 -0.59 1.61 1.01 -1.26 -4.84 120.40 111.99 1i6d s VAL 41 Ca 0.46 0.07 -0.28 0.00 0.00 0.00 0.00 61.98 62.24 1i6d s VAL 41 Cb 0.32 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 36.26 1i6d s VAL 41 CO -0.13 -0.09 1.44 -1.81 0.00 0.00 0.00 175.10 174.52 1i6d s ASP 42 N 2.21 6.05 0.00 3.32 1.01 -1.26 -2.90 116.67 125.11 1i6d s ASP 42 Ca 0.04 0.21 0.00 0.00 0.71 0.00 0.00 52.55 53.50 1i6d s ASP 42 Cb -0.14 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.24 1i6d s ASP 42 CO -0.08 -1.78 0.00 0.61 0.21 0.00 0.00 175.17 174.13 1i6d n GLY 43 N 5.31 3.78 3.74 0.21 0.00 -1.26 -5.14 105.19 111.84 1i6d n GLY 43 Ca 0.12 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 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 3.65 -0.83 1.61 5.36 -1.14 -5.04 117.98 121.59 1i6d s PHE 44 Ca 0.00 1.25 -0.25 0.00 -0.96 0.00 0.00 56.93 56.97 1i6d s PHE 44 Cb 0.00 -2.70 0.04 0.00 -0.34 0.00 0.00 43.02 40.02 1i6d s PHE 44 CO 0.00 0.25 1.30 1.21 -1.46 0.00 0.00 175.22 176.52 1i6d s ASN 45 N 0.16 6.29 0.64 6.13 2.47 -1.26 -4.91 114.94 124.46 1i6d s ASN 45 Ca 0.34 -0.89 -0.13 0.00 0.42 0.00 0.00 52.86 52.60 1i6d s ASN 45 Cb -0.18 -2.54 -0.02 0.00 -1.45 0.00 0.00 41.25 37.06 1i6d s ASN 45 CO 0.18 -1.67 1.05 -0.31 -3.72 0.00 0.00 177.10 172.64 1i6d s TYR 46 N 5.22 3.11 0.25 0.43 2.02 -1.26 -5.05 117.35 122.07 1i6d s TYR 46 Ca 0.37 1.45 -0.30 0.00 -0.37 0.00 0.00 57.07 58.23 1i6d s TYR 46 Cb -0.06 -2.91 -0.10 0.00 -0.40 0.00 0.00 41.96 38.49 1i6d s TYR 46 CO 0.05 -1.11 1.34 -1.54 -1.57 0.00 0.00 175.55 172.72 1i6d s SER 47 N -3.39 6.82 0.27 2.29 1.04 -1.26 -4.93 113.70 114.53 1i6d s SER 47 Ca 0.60 2.54 -0.00 0.00 0.48 0.00 0.00 55.95 59.56 1i6d s SER 47 Cb -0.14 -2.62 0.57 0.00 0.10 0.00 0.00 66.02 63.92 1i6d s SER 47 CO 0.47 -0.56 1.73 0.44 0.98 0.00 0.00 173.24 176.30 1i6d h ASP 48 N 4.74 0.41 -0.18 7.02 3.32 -1.97 -1.69 116.42 128.06 1i6d h ASP 48 Ca -0.46 0.11 0.05 0.00 0.02 0.00 0.00 57.03 56.76 1i6d h ASP 48 Cb 1.22 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 1i6d h ASP 48 CO 0.74 0.13 0.15 -0.65 -1.72 0.00 0.00 179.24 177.88 1i6d h PRO 49 N 0.51 0.00 -0.24 3.56 0.11 -1.86 0.50 132.00 134.58 1i6d h PRO 49 Ca 0.48 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.52 1i6d h PRO 49 Cb 0.77 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 1i6d h PRO 49 CO -0.42 0.00 -0.13 1.98 -0.21 0.00 0.00 178.00 179.22 1i6d h MET 50 N 0.00 0.52 -0.33 1.05 4.05 -1.61 -2.98 114.93 115.63 1i6d h MET 50 Ca 0.09 -0.23 -0.04 0.00 -0.28 0.00 0.00 59.70 59.23 1i6d h MET 50 Cb 0.38 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 1i6d h MET 50 CO -0.00 0.79 0.05 0.87 0.23 0.00 0.00 176.91 178.85 1i6d h LYS 51 N 0.24 0.55 0.00 0.39 1.57 -1.14 -3.07 116.57 115.11 1i6d h LYS 51 Ca 0.05 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1i6d h LYS 51 Cb 0.64 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1i6d h LYS 51 CO 0.04 0.64 0.00 0.00 -0.57 0.00 0.00 179.45 179.56 1i6d n ALA 52 N -2.35 2.31 0.13 3.86 0.00 0.13 -4.32 120.51 120.27 1i6d n ALA 52 Ca -0.02 -0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 1i6d n ALA 52 Cb 0.22 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 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 0.00 -0.38 -2.53 0.00 6.17 -1.42 -3.50 115.15 113.50 1i6d h HIS 53 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.07 1i6d h HIS 53 Cb 0.00 0.13 0.00 0.00 2.52 0.00 0.00 27.41 30.06 1i6d h HIS 53 CO 0.00 -0.13 0.00 0.41 0.71 0.00 0.00 177.93 178.92 1i6d n GLY 54 N 0.55 -2.20 0.00 5.26 0.00 -1.26 -5.13 105.19 102.40 1i6d n GLY 54 Ca -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.04 -1.36 3.27 -0.02 0.00 -1.26 -5.05 105.19 100.73 1i6d n GLY 55 Ca 0.00 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 44.83 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 -3.44 2.34 -1.33 1.61 1.01 -1.26 -1.14 116.67 114.46 1i6d s ASP 56 Ca 0.00 -0.74 -0.16 0.00 0.71 0.00 0.00 52.55 52.36 1i6d s ASP 56 Cb 0.00 -0.12 0.08 0.00 1.01 0.00 0.00 42.92 43.89 1i6d s ASP 56 CO 0.00 -0.02 1.82 0.79 0.21 0.00 0.00 175.17 177.97 1i6d n TRP 57 N 0.84 4.38 -1.48 4.23 5.03 0.51 -4.86 117.44 126.09 1i6d n TRP 57 Ca -0.18 -2.92 -0.32 0.00 3.03 0.00 0.00 57.50 57.11 1i6d n TRP 57 Cb 0.55 -2.55 0.07 0.00 -1.03 0.00 0.00 31.31 28.35 1i6d n TRP 57 CO 0.00 0.00 0.00 0.95 -0.03 0.00 0.00 177.69 178.61 1i6d s THR 58 N 3.59 3.21 0.21 -0.99 -4.23 -1.26 -0.47 115.64 115.70 1i6d s THR 58 Ca 0.51 0.48 -0.10 0.00 -1.18 0.00 0.00 61.69 61.39 1i6d s THR 58 Cb 0.06 -2.97 0.17 0.00 1.34 0.00 0.00 72.50 71.10 1i6d s THR 58 CO 0.03 -0.43 1.69 1.55 -0.54 0.00 0.00 174.62 176.92 1i6d h PRO 59 N -0.57 0.21 -0.22 3.99 0.13 -1.96 0.34 132.00 133.91 1i6d h PRO 59 Ca -0.45 -0.01 0.06 0.00 -0.87 0.00 0.00 66.00 64.72 1i6d h PRO 59 Cb 1.24 -0.05 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 1i6d h PRO 59 CO 0.52 0.14 -0.17 1.05 -0.23 0.00 0.00 178.00 179.31 1i6d h GLU 60 N 0.21 -0.16 -0.47 0.86 4.11 -1.99 -1.00 114.58 116.13 1i6d h GLU 60 Ca 0.31 0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.73 1i6d h GLU 60 Cb 0.48 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1i6d h GLU 60 CO -0.43 -0.11 0.21 0.00 0.07 0.00 0.00 179.01 178.75 1i6d h ALA 61 N 0.95 0.61 -0.16 1.06 0.00 -1.83 -2.21 119.26 117.69 1i6d h ALA 61 Ca 0.13 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1i6d h ALA 61 Cb 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1i6d h ALA 61 CO -0.33 0.20 0.05 -0.07 0.00 0.00 0.00 179.25 179.10 1i6d h LEU 62 N 0.62 0.04 -1.16 0.00 3.38 -0.97 -1.00 115.31 116.23 1i6d h LEU 62 Ca 0.16 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1i6d h LEU 62 Cb 0.16 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1i6d h LEU 62 CO -0.02 0.05 0.14 0.06 0.09 0.00 0.00 178.44 178.77 1i6d h GLN 63 N 0.12 0.73 0.48 1.13 -0.00 -1.19 0.16 115.11 116.55 1i6d h GLN 63 Ca 0.07 -0.13 -0.02 0.00 -0.00 0.00 0.00 58.65 58.57 1i6d h GLN 63 Cb 0.05 -0.12 0.00 0.00 -0.00 0.00 0.00 27.48 27.41 1i6d h GLN 63 CO -0.08 0.65 -0.23 0.93 -0.00 0.00 0.00 178.83 180.09 1i6d h GLU 64 N 0.72 -0.63 -0.73 0.06 5.08 -1.40 -2.15 114.58 115.53 1i6d h GLU 64 Ca 0.16 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.61 1i6d h GLU 64 Cb 0.23 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 1i6d h GLU 64 CO -0.01 -0.40 0.44 0.35 -1.00 0.00 0.00 179.01 178.40 1i6d h PHE 65 N -0.69 0.82 0.00 4.33 3.57 -1.06 -2.48 116.94 121.43 1i6d h PHE 65 Ca -0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1i6d h PHE 65 Cb 0.52 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1i6d h PHE 65 CO -0.03 0.44 0.00 1.28 -2.23 0.00 0.00 178.31 177.76 1i6d n LEU 66 N -4.69 0.20 0.11 0.59 4.77 0.54 -1.28 117.00 117.25 1i6d n LEU 66 Ca 0.09 0.54 -0.10 0.00 -0.03 0.00 0.00 56.01 56.51 1i6d n LEU 66 Cb 0.13 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.66 1i6d n LEU 66 CO 0.31 -0.23 0.32 0.74 -1.33 0.00 0.00 177.39 177.20 1i6d h THR 67 N 0.00 0.48 -2.77 -5.08 2.02 -0.94 0.21 112.91 106.83 1i6d h THR 67 Ca 0.00 -0.88 -0.46 0.00 0.77 0.00 0.00 66.41 65.84 1i6d h THR 67 Cb 0.38 0.80 -0.39 0.00 -1.74 0.00 0.00 68.15 67.20 1i6d h THR 67 CO 0.00 0.12 -0.73 0.21 0.37 0.00 0.00 175.52 175.49 1i6d s ASN 68 N -5.23 2.64 0.21 4.18 3.84 -1.03 -4.16 114.94 115.39 1i6d s ASN 68 Ca -0.11 -0.86 0.03 0.00 0.21 0.00 0.00 52.86 52.13 1i6d s ASN 68 Cb 0.01 -0.12 0.15 0.00 -0.55 0.00 0.00 41.25 40.73 1i6d s ASN 68 CO 0.37 -0.39 1.49 1.55 -2.79 0.00 0.00 177.10 177.34 1i6d h PRO 69 N 8.38 0.26 -0.32 0.43 0.13 -1.41 -2.99 132.00 136.49 1i6d h PRO 69 Ca -0.17 -0.21 -0.05 0.00 -0.87 0.00 0.00 66.00 64.70 1i6d h PRO 69 Cb 1.08 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1i6d h PRO 69 CO 0.36 0.85 -0.03 0.87 -0.23 0.00 0.00 178.00 179.82 1i6d h LYS 70 N 0.18 0.50 -0.16 0.86 6.56 -1.85 -1.63 116.57 121.01 1i6d h LYS 70 Ca -0.02 -0.11 -0.06 0.00 -1.06 0.00 0.00 60.65 59.40 1i6d h LYS 70 Cb 1.24 -0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 32.83 1i6d h LYS 70 CO 0.11 0.55 -0.14 0.00 -2.06 0.00 0.00 179.45 177.91 1i6d h ALA 71 N 1.50 0.24 -0.03 3.86 0.00 -1.97 -3.32 119.26 119.55 1i6d h ALA 71 Ca 0.10 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1i6d h ALA 71 Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1i6d h ALA 71 CO 0.01 0.11 -0.09 0.28 0.00 0.00 0.00 179.25 179.56 1i6d h VAL 72 N 0.03 1.48 -3.37 0.00 2.07 -1.53 -3.39 116.25 111.55 1i6d h VAL 72 Ca 0.03 -1.55 -0.72 0.00 0.82 0.00 0.00 66.70 65.28 1i6d h VAL 72 Cb 0.66 2.44 -0.30 0.00 -1.52 0.00 0.00 31.29 32.57 1i6d h VAL 72 CO 0.04 0.42 -0.38 -0.69 0.02 0.00 0.00 177.57 176.97 1i6d s VAL 73 N -3.69 4.14 -0.63 2.57 1.01 -0.62 -5.06 120.40 118.12 1i6d s VAL 73 Ca -0.16 -1.96 -0.27 0.00 0.00 0.00 0.00 61.98 59.58 1i6d s VAL 73 Cb 0.01 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1i6d s VAL 73 CO 0.71 -0.79 1.45 -0.75 0.00 0.00 0.00 175.10 175.72 1i6d s LYS 74 N 1.14 3.15 0.00 2.72 2.20 -1.25 -2.55 119.74 125.16 1i6d s LYS 74 Ca 0.08 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.95 1i6d s LYS 74 Cb -0.24 -4.19 0.00 0.00 -1.51 0.00 0.00 37.83 31.89 1i6d s LYS 74 CO -0.02 -2.14 0.00 0.41 -0.36 0.00 0.00 175.35 173.24 1i6d n GLY 75 N 5.37 1.25 3.78 5.54 0.00 -1.26 -4.77 105.19 115.10 1i6d n GLY 75 Ca 0.11 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.15 3.96 -1.72 2.61 -1.32 -1.06 -4.49 115.64 111.47 1i6d s THR 76 Ca 0.00 1.59 0.16 0.00 -1.21 0.00 0.00 61.69 62.23 1i6d s THR 76 Cb 0.00 -3.86 0.36 0.00 -1.51 0.00 0.00 72.50 67.49 1i6d s THR 76 CO 0.00 0.10 1.40 0.29 -2.21 0.00 0.00 174.62 174.19 1i6d n LYS 77 N 0.33 0.36 -2.27 7.08 5.02 -1.26 -4.81 118.16 122.61 1i6d n LYS 77 Ca 0.03 0.07 -0.42 0.00 -2.02 0.00 0.00 58.31 55.97 1i6d n LYS 77 Cb 0.50 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 1i6d n LYS 77 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1i6d s MET 78 N -2.28 3.29 -1.33 1.97 1.75 -1.26 -4.95 119.30 116.48 1i6d s MET 78 Ca 0.19 0.74 -0.15 0.00 -1.25 0.00 0.00 55.69 55.22 1i6d s MET 78 Cb 0.11 -4.15 0.09 0.00 2.84 0.00 0.00 34.83 33.72 1i6d s MET 78 CO 0.21 -1.94 1.85 0.00 -0.65 0.00 0.00 175.02 174.49 1i6d n ALA 79 N 9.92 4.37 -3.72 4.11 0.00 -1.26 -4.80 120.51 129.12 1i6d n ALA 79 Ca 0.16 -3.97 -0.17 0.00 0.00 0.00 0.00 53.44 49.46 1i6d n ALA 79 Cb 0.49 -3.44 -0.16 0.00 0.00 0.00 0.00 19.45 16.34 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 3.11 0.22 -0.05 0.00 5.36 -1.26 -5.09 117.98 120.27 1i6d s PHE 80 Ca 0.49 0.06 -0.10 0.00 -0.96 0.00 0.00 56.93 56.42 1i6d s PHE 80 Cb 0.06 -0.40 -0.06 0.00 -0.34 0.00 0.00 43.02 42.29 1i6d s PHE 80 CO 0.01 -0.14 0.45 0.00 -1.46 0.00 0.00 175.22 174.08 1i6d h ALA 81 N 7.51 -0.39 0.00 11.12 0.00 -1.93 -3.40 119.26 132.16 1i6d h ALA 81 Ca -0.37 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1i6d h ALA 81 Cb 1.13 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1i6d h ALA 81 CO 0.41 -0.37 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1i6d n GLY 82 N 0.79 1.89 3.38 0.00 0.00 -1.26 -4.37 105.19 105.63 1i6d n GLY 82 Ca -0.04 -0.64 -0.45 0.00 0.00 0.00 0.00 46.02 44.89 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 5.43 0.24 0.99 1.43 0.73 -5.00 118.68 122.51 1i6d s LEU 83 Ca 0.00 -1.36 0.03 0.00 -1.03 0.00 0.00 54.13 51.77 1i6d s LEU 83 Cb 0.00 -2.31 0.28 0.00 0.03 0.00 0.00 46.19 44.19 1i6d s LEU 83 CO 0.00 -0.99 1.59 1.55 0.23 0.00 0.00 176.35 178.73 1i6d h PRO 84 N 9.07 0.33 -6.18 1.29 0.13 -1.90 -3.40 132.00 131.33 1i6d h PRO 84 Ca -0.29 -0.19 -0.56 0.00 -0.87 0.00 0.00 66.00 64.09 1i6d h PRO 84 Cb 1.09 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 1i6d h PRO 84 CO 1.04 0.77 0.36 0.15 -0.23 0.00 0.00 178.00 180.09 1i6d s LYS 85 N -3.96 4.44 0.23 0.86 1.02 -1.26 -5.00 119.74 116.08 1i6d s LYS 85 Ca -0.05 1.20 -0.06 0.00 0.02 0.00 0.00 55.97 57.08 1i6d s LYS 85 Cb 0.12 -3.50 0.41 0.00 -0.52 0.00 0.00 37.83 34.34 1i6d s LYS 85 CO 0.80 -0.15 1.72 0.97 -0.92 0.00 0.00 175.35 177.77 1i6d h ILE 86 N 4.95 0.65 -0.49 2.17 6.09 -2.00 -2.62 117.51 126.25 1i6d h ILE 86 Ca -0.36 -0.13 0.08 0.00 -1.37 0.00 0.00 64.86 63.08 1i6d h ILE 86 Cb 1.18 0.23 -0.07 0.00 0.47 0.00 0.00 36.82 38.63 1i6d h ILE 86 CO 0.80 0.07 0.11 1.05 -3.07 0.00 0.00 178.15 177.10 1i6d h GLU 87 N 0.39 0.24 -0.59 2.19 4.11 -1.99 -0.60 114.58 118.33 1i6d h GLU 87 Ca 0.39 -0.01 0.03 0.00 0.07 0.00 0.00 59.36 59.83 1i6d h GLU 87 Cb 0.58 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1i6d h GLU 87 CO -0.41 0.16 0.36 -0.44 0.07 0.00 0.00 179.01 178.75 1i6d h ASP 88 N 0.24 0.57 0.31 3.06 5.19 -1.93 0.34 116.42 124.21 1i6d h ASP 88 Ca 0.24 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.65 1i6d h ASP 88 Cb 0.32 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.71 1i6d h ASP 88 CO -0.31 0.40 -0.17 0.03 -3.12 0.00 0.00 179.24 176.06 1i6d h ARG 89 N 0.70 -0.44 -0.71 3.56 3.08 -1.30 -1.99 114.38 117.28 1i6d h ARG 89 Ca 0.24 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.37 1i6d h ARG 89 Cb 0.04 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 1i6d h ARG 89 CO -0.11 -0.29 0.42 0.00 -1.07 0.00 0.00 179.97 178.92 1i6d h ALA 90 N 0.22 0.94 -0.23 0.04 0.00 -1.08 -1.38 119.26 117.79 1i6d h ALA 90 Ca -0.04 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1i6d h ALA 90 Cb 0.37 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1i6d h ALA 90 CO 0.05 0.15 -0.07 -0.91 0.00 0.00 0.00 179.25 178.47 1i6d h ASN 91 N 0.80 -0.24 -0.71 0.00 2.35 -0.96 -1.34 115.58 115.49 1i6d h ASN 91 Ca 0.30 0.07 0.03 0.00 -0.55 0.00 0.00 56.30 56.16 1i6d h ASN 91 Cb 0.11 0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 1i6d h ASN 91 CO -0.15 -0.09 0.44 0.25 -1.65 0.00 0.00 177.43 176.23 1i6d h LEU 92 N -0.02 0.72 -0.55 1.61 6.46 -1.27 -1.89 115.31 120.37 1i6d h LEU 92 Ca 0.11 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.86 1i6d h LEU 92 Cb 0.19 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 39.94 1i6d h LEU 92 CO -0.24 0.50 0.29 0.40 -0.62 0.00 0.00 178.44 178.76 1i6d h ILE 93 N 0.86 1.19 -0.77 4.05 2.04 -1.14 0.00 117.51 123.74 1i6d h ILE 93 Ca 0.29 -0.50 0.11 0.00 1.00 0.00 0.00 64.86 65.75 1i6d h ILE 93 Cb 0.03 0.52 -0.08 0.00 -0.74 0.00 0.00 36.82 36.55 1i6d h ILE 93 CO -0.11 0.21 0.40 0.00 0.00 0.00 0.00 178.15 178.64 1i6d h ALA 94 N 1.12 1.09 -0.42 1.87 0.00 -1.22 -1.32 119.26 120.39 1i6d h ALA 94 Ca 0.19 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1i6d h ALA 94 Cb 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1i6d h ALA 94 CO -0.03 -0.03 0.27 -0.92 0.00 0.00 0.00 179.25 178.55 1i6d h TYR 95 N 0.65 0.53 -0.74 0.00 3.20 -0.96 -1.43 116.97 118.21 1i6d h TYR 95 Ca 0.39 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.31 1i6d h TYR 95 Cb 0.44 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 1i6d h TYR 95 CO -0.10 0.34 0.49 -0.07 -1.64 0.00 0.00 178.16 177.19 1i6d h LEU 96 N 0.56 0.77 -0.71 2.82 3.38 -0.89 0.13 115.31 121.37 1i6d h LEU 96 Ca 0.15 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1i6d h LEU 96 Cb -0.05 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1i6d h LEU 96 CO -0.03 0.53 0.14 -0.33 0.09 0.00 0.00 178.44 178.83 1i6d h GLU 97 N 0.89 1.12 -0.72 1.13 5.08 -1.14 -3.16 114.58 117.78 1i6d h GLU 97 Ca 0.30 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1i6d h GLU 97 Cb 0.08 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1i6d h GLU 97 CO -0.09 1.01 0.37 0.78 -1.00 0.00 0.00 179.01 180.07 1i6d h GLY 98 N 1.07 1.09 -5.77 -3.84 0.00 -1.03 -3.34 103.07 91.25 1i6d h GLY 98 Ca 0.21 -0.52 -0.74 0.00 0.00 0.00 0.00 47.33 46.28 1i6d h GLY 98 CO 0.01 0.50 2.49 -1.06 0.00 0.00 0.00 176.54 178.48 1i6d n GLN 99 N -4.45 4.25 0.00 4.80 1.13 0.44 -5.08 117.38 118.47 1i6d n GLN 99 Ca 0.06 -3.33 0.14 0.00 -1.94 0.00 0.00 57.00 51.93 1i6d n GLN 99 Cb 0.11 -2.73 0.49 0.00 0.11 0.00 0.00 30.24 28.23 1i6d n GLN 99 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66