#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 3.25 -3.85 3.04 0.00 -1.26 -2.75 120.51 118.93 1i6d n ALA 2 Ca 0.00 -4.01 -0.34 0.00 0.00 0.00 0.00 53.44 49.09 1i6d n ALA 2 Cb 0.00 -0.89 -0.13 0.00 0.00 0.00 0.00 19.45 18.42 1i6d n ALA 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i6d s ASP 3 N -1.20 4.97 0.36 0.00 1.01 -1.26 -4.95 116.67 115.60 1i6d s ASP 3 Ca 0.32 -1.87 0.03 0.00 0.71 0.00 0.00 52.55 51.74 1i6d s ASP 3 Cb 0.05 -1.72 0.68 0.00 1.01 0.00 0.00 42.92 42.93 1i6d s ASP 3 CO -0.14 -0.41 2.00 -0.65 0.21 0.00 0.00 175.17 176.18 1i6d h PRO 4 N 7.88 0.79 -0.30 8.23 0.11 -1.86 -0.09 132.00 146.76 1i6d h PRO 4 Ca -0.12 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.92 1i6d h PRO 4 Cb 1.04 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1i6d h PRO 4 CO 0.59 0.53 0.11 0.00 -0.21 0.00 0.00 178.00 179.02 1i6d h ALA 5 N 1.61 0.39 -0.90 -0.75 0.00 -1.96 -0.19 119.26 117.46 1i6d h ALA 5 Ca 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1i6d h ALA 5 Cb 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1i6d h ALA 5 CO -0.06 0.01 0.57 0.00 0.00 0.00 0.00 179.25 179.77 1i6d h ALA 6 N 0.95 1.31 -0.87 0.00 0.00 -1.91 -2.91 119.26 115.83 1i6d h ALA 6 Ca 0.10 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1i6d h ALA 6 Cb 0.21 -0.37 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 1i6d h ALA 6 CO -0.01 0.62 0.56 0.78 0.00 0.00 0.00 179.25 181.20 1i6d h GLY 7 N 1.24 1.23 0.81 0.00 0.00 -0.86 -0.71 103.07 104.78 1i6d h GLY 7 Ca 0.33 -0.34 0.03 0.00 0.00 0.00 0.00 47.33 47.35 1i6d h GLY 7 CO -0.07 0.18 0.21 -2.09 0.00 0.00 0.00 176.54 174.77 1i6d h GLU 8 N 0.82 0.42 -0.62 4.80 4.22 -0.93 0.97 114.58 124.27 1i6d h GLU 8 Ca 0.41 -0.03 0.03 0.00 0.08 0.00 0.00 59.36 59.85 1i6d h GLU 8 Cb 0.47 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1i6d h GLU 8 CO -0.18 0.28 0.38 0.87 -2.18 0.00 0.00 179.01 178.18 1i6d h LYS 9 N 0.43 0.73 -0.88 1.92 1.57 -1.28 -2.30 116.57 116.75 1i6d h LYS 9 Ca 0.17 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1i6d h LYS 9 Cb 0.07 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 1i6d h LYS 9 CO -0.11 0.48 0.56 0.28 -0.57 0.00 0.00 179.45 180.08 1i6d h VAL 10 N 0.75 1.24 0.00 0.50 2.07 -1.09 -2.34 116.25 117.37 1i6d h VAL 10 Ca 0.25 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1i6d h VAL 10 Cb 0.03 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.76 1i6d h VAL 10 CO -0.11 0.24 0.12 0.15 0.02 0.00 0.00 177.57 178.00 1i6d h PHE 11 N 1.21 0.00 -0.99 1.57 3.04 -0.52 -2.65 116.94 118.60 1i6d h PHE 11 Ca 0.32 0.00 0.35 0.00 3.98 0.00 0.00 57.97 62.62 1i6d h PHE 11 Cb -0.09 0.00 -0.17 0.00 2.56 0.00 0.00 35.95 38.25 1i6d h PHE 11 CO -0.00 0.00 0.46 0.78 -2.02 0.00 0.00 178.31 177.53 1i6d h GLY 12 N 0.00 2.00 1.46 2.40 0.00 -0.85 0.03 103.07 108.10 1i6d h GLY 12 Ca 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 1i6d h GLY 12 CO 0.00 -0.62 0.06 0.50 0.00 0.00 0.00 176.54 176.48 1i6d h LYS 13 N 0.13 0.68 0.18 4.80 1.57 -1.67 -3.37 116.57 118.90 1i6d h LYS 13 Ca 0.75 -0.14 -0.29 0.00 -1.87 0.00 0.00 60.65 59.10 1i6d h LYS 13 Cb 1.82 -0.10 0.02 0.00 0.08 0.00 0.00 32.23 34.05 1i6d h LYS 13 CO -0.72 0.66 -1.35 0.00 -0.57 0.00 0.00 179.45 177.47 1i6d h LYS 15 N -0.10 0.00 -0.64 0.00 2.10 -1.22 -0.25 116.57 116.47 1i6d h LYS 15 Ca -0.26 0.00 0.09 0.00 -2.00 0.00 0.00 60.65 58.48 1i6d h LYS 15 Cb 1.93 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 33.22 1i6d h LYS 15 CO 0.18 0.00 0.42 0.00 -2.00 0.00 0.00 179.45 178.05 1i6d h ALA 16 N 1.67 1.90 0.00 0.07 0.00 -1.78 -3.36 119.26 117.77 1i6d h ALA 16 Ca 0.17 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.77 1i6d h ALA 16 Cb 0.85 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1i6d h ALA 16 CO -0.00 -0.03 -2.13 0.00 0.00 0.00 0.00 179.25 177.09 1i6d s HIS 18 N -2.40 2.99 -0.26 0.00 3.76 -0.18 -1.46 115.29 117.74 1i6d s HIS 18 Ca -0.26 -0.31 -0.06 0.00 -0.15 0.00 0.00 55.06 54.28 1i6d s HIS 18 Cb 0.07 -1.92 -0.01 0.00 1.11 0.00 0.00 32.58 31.83 1i6d s HIS 18 CO 0.46 -0.02 0.04 0.15 -0.85 0.00 0.00 174.74 174.52 1i6d s LYS 19 N 0.24 3.38 0.00 1.40 1.02 -1.26 -4.16 119.74 120.36 1i6d s LYS 19 Ca -0.04 -0.65 0.22 0.00 0.02 0.00 0.00 55.97 55.53 1i6d s LYS 19 Cb -0.14 -3.24 0.98 0.00 -0.52 0.00 0.00 37.83 34.91 1i6d s LYS 19 CO 0.03 -0.28 1.72 1.28 -0.92 0.00 0.00 175.35 177.18 1i6d n LEU 20 N 4.87 0.00 -3.25 3.17 4.77 -1.26 -3.78 117.00 121.52 1i6d n LEU 20 Ca -0.16 0.46 -0.38 0.00 -0.03 0.00 0.00 56.01 55.90 1i6d n LEU 20 Cb 0.50 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1i6d n LEU 20 CO 0.30 -0.11 1.72 0.47 -1.33 0.00 0.00 177.39 178.44 1i6d n ASP 21 N -1.46 7.43 -3.14 -1.43 9.92 -1.26 -4.53 116.55 122.07 1i6d n ASP 21 Ca 0.06 -3.52 -0.22 0.00 -0.53 0.00 0.00 54.79 50.58 1i6d n ASP 21 Cb 0.24 -1.20 0.01 0.00 -0.64 0.00 0.00 41.12 39.54 1i6d n ASP 21 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1i6d n GLY 22 N 0.40 -0.50 3.21 0.44 0.00 -1.26 -5.01 105.19 102.47 1i6d n GLY 22 Ca 0.53 0.10 -0.27 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.66 2.42 -0.42 1.61 0.01 -1.26 -4.99 114.94 109.65 1i6d s ASN 23 Ca 0.33 -0.38 -0.13 0.00 -0.71 0.00 0.00 52.86 51.97 1i6d s ASN 23 Cb -0.16 -0.36 0.05 0.00 0.41 0.00 0.00 41.25 41.19 1i6d s ASN 23 CO 0.40 0.24 0.30 -1.81 -1.51 0.00 0.00 177.10 174.72 1i6d s ASP 24 N -0.39 5.94 0.00 -1.22 1.01 -1.26 -3.53 116.67 117.23 1i6d s ASP 24 Ca 0.05 -1.18 0.00 0.00 0.71 0.00 0.00 52.55 52.14 1i6d s ASP 24 Cb -0.09 -2.10 0.00 0.00 1.01 0.00 0.00 42.92 41.74 1i6d s ASP 24 CO -0.00 -0.51 0.00 0.61 0.21 0.00 0.00 175.17 175.48 1i6d n GLY 25 N 5.09 0.87 0.07 0.21 0.00 -1.26 -4.98 105.19 105.18 1i6d n GLY 25 Ca -0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 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 1.59 -1.66 1.61 2.07 -1.89 -3.46 116.25 114.51 1i6d h VAL 26 Ca 0.00 -1.79 -0.48 0.00 0.82 0.00 0.00 66.70 65.26 1i6d h VAL 26 Cb 0.00 2.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 1i6d h VAL 26 CO 0.00 0.47 -0.38 -0.83 0.02 0.00 0.00 177.57 176.85 1i6d s GLY 27 N -3.74 1.91 1.09 2.17 0.00 -0.54 -5.01 107.32 103.20 1i6d s GLY 27 Ca -0.17 -1.72 -0.14 0.00 0.00 0.00 0.00 44.72 42.69 1i6d s GLY 27 CO 0.69 -1.59 1.08 2.56 0.00 0.00 0.00 173.10 175.85 1i6d s PRO 28 N -4.12 -0.27 -0.33 2.90 0.04 -1.26 -4.55 135.00 127.41 1i6d s PRO 28 Ca 0.46 0.41 -0.29 0.00 0.04 0.00 0.00 61.00 61.63 1i6d s PRO 28 Cb -0.06 -1.66 -0.01 0.00 0.04 0.00 0.00 34.50 32.81 1i6d s PRO 28 CO 0.28 -3.18 1.52 -3.38 0.04 0.00 0.00 177.00 172.28 1i6d s HIS 29 N -2.88 2.26 -1.41 0.56 -3.43 -1.23 -4.08 115.29 105.08 1i6d s HIS 29 Ca 0.67 0.67 0.23 0.00 -0.80 0.00 0.00 55.06 55.83 1i6d s HIS 29 Cb -0.18 -4.13 1.17 0.00 -1.43 0.00 0.00 32.58 28.01 1i6d s HIS 29 CO 0.58 -2.35 1.77 1.28 -2.00 0.00 0.00 174.74 174.02 1i6d n LEU 30 N 8.84 0.00 -4.64 5.38 4.77 -1.25 -4.73 117.00 125.37 1i6d n LEU 30 Ca 0.18 0.30 -0.42 0.00 -0.03 0.00 0.00 56.01 56.03 1i6d n LEU 30 Cb 0.47 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1i6d n LEU 30 CO 0.67 -0.07 1.57 0.54 -1.33 0.00 0.00 177.39 178.78 1i6d s ASN 31 N -2.59 6.22 0.00 -1.43 4.22 -1.26 -2.67 114.94 117.43 1i6d s ASN 31 Ca 0.22 2.16 0.00 0.00 -2.14 0.00 0.00 52.86 53.10 1i6d s ASN 31 Cb 0.16 -2.53 0.00 0.00 1.28 0.00 0.00 41.25 40.16 1i6d s ASN 31 CO 0.36 -1.31 0.00 0.61 -2.04 0.00 0.00 177.10 174.72 1i6d n GLY 32 N 4.81 0.57 0.14 0.45 0.00 -0.26 -4.96 105.19 105.95 1i6d n GLY 32 Ca 0.22 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 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 1.34 -3.01 1.61 3.04 -1.69 -3.40 116.25 114.14 1i6d h VAL 33 Ca 0.00 -2.62 -0.57 0.00 -1.01 0.00 0.00 66.70 62.50 1i6d h VAL 33 Cb 0.60 3.03 -0.04 0.00 -2.01 0.00 0.00 31.29 32.87 1i6d h VAL 33 CO 0.00 0.78 1.01 -0.69 -1.01 0.00 0.00 177.57 177.66 1i6d s VAL 34 N -2.62 4.01 0.00 1.51 1.01 -1.26 -1.62 120.40 121.43 1i6d s VAL 34 Ca -0.10 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.03 1i6d s VAL 34 Cb 0.03 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1i6d s VAL 34 CO 0.92 -0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1i6d n GLY 35 N 4.35 2.34 3.81 4.51 0.00 0.06 -5.00 105.19 115.26 1i6d n GLY 35 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.78 4.30 0.50 1.61 3.52 -0.64 -4.39 118.95 123.06 1i6d s ARG 36 Ca 0.00 1.08 -0.23 0.00 -0.13 0.00 0.00 55.73 56.44 1i6d s ARG 36 Cb 0.00 -2.50 -0.07 0.00 -1.56 0.00 0.00 34.95 30.82 1i6d s ARG 36 CO 0.00 0.15 1.36 2.41 -0.81 0.00 0.00 175.30 178.41 1i6d n THR 37 N -0.06 3.27 -2.13 4.11 -1.04 -1.26 -0.51 114.28 116.66 1i6d n THR 37 Ca 0.04 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.12 1i6d n THR 37 Cb 0.52 -1.70 -0.03 0.00 -1.82 0.00 0.00 70.33 67.31 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 -1.25 3.74 -0.40 12.58 1.01 -0.16 -1.00 120.40 134.93 1i6d s VAL 38 Ca 0.66 0.94 0.00 0.00 0.00 0.00 0.00 61.98 63.59 1i6d s VAL 38 Cb -0.44 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1i6d s VAL 38 CO 0.53 -0.07 0.00 0.00 0.00 0.00 0.00 175.10 175.56 1i6d n ALA 39 N 6.73 -0.06 -1.71 5.51 0.00 -1.26 -4.71 120.51 125.02 1i6d n ALA 39 Ca 0.16 0.06 -0.35 0.00 0.00 0.00 0.00 53.44 53.31 1i6d n ALA 39 Cb 0.43 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.93 4.72 2.73 0.00 0.00 -0.17 -4.74 105.19 106.80 1i6d n GLY 40 Ca -0.04 -1.87 -0.29 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.69 0.67 -0.65 1.61 1.01 -1.26 -4.75 120.40 116.33 1i6d s VAL 41 Ca 0.59 -0.93 -0.27 0.00 0.00 0.00 0.00 61.98 61.37 1i6d s VAL 41 Cb 0.23 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 35.31 1i6d s VAL 41 CO -0.11 -0.42 1.55 -1.81 0.00 0.00 0.00 175.10 174.31 1i6d s ASP 42 N 1.76 5.77 0.00 3.32 1.01 -1.26 -2.91 116.67 124.36 1i6d s ASP 42 Ca 0.04 0.02 0.00 0.00 0.71 0.00 0.00 52.55 53.31 1i6d s ASP 42 Cb -0.17 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.21 1i6d s ASP 42 CO -0.17 -2.05 0.00 0.61 0.21 0.00 0.00 175.17 173.77 1i6d n GLY 43 N 5.50 3.37 3.82 0.21 0.00 -1.26 -5.14 105.19 111.69 1i6d n GLY 43 Ca 0.12 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 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 3.54 -0.79 1.61 5.36 -1.15 -4.90 117.98 121.65 1i6d s PHE 44 Ca 0.00 0.50 -0.26 0.00 -0.96 0.00 0.00 56.93 56.21 1i6d s PHE 44 Cb 0.00 -2.06 0.04 0.00 -0.34 0.00 0.00 43.02 40.66 1i6d s PHE 44 CO 0.00 0.56 1.29 1.21 -1.46 0.00 0.00 175.22 176.82 1i6d s ASN 45 N -0.50 6.24 0.66 6.13 2.47 -1.26 -4.94 114.94 123.74 1i6d s ASN 45 Ca 0.13 -0.72 -0.11 0.00 0.42 0.00 0.00 52.86 52.59 1i6d s ASN 45 Cb -0.12 -2.55 -0.02 0.00 -1.45 0.00 0.00 41.25 37.11 1i6d s ASN 45 CO 0.03 -1.73 1.05 -0.31 -3.72 0.00 0.00 177.10 172.42 1i6d s TYR 46 N 5.41 3.44 0.43 0.43 2.02 -1.26 -5.07 117.35 122.75 1i6d s TYR 46 Ca 0.36 1.27 -0.24 0.00 -0.37 0.00 0.00 57.07 58.09 1i6d s TYR 46 Cb -0.07 -2.83 -0.08 0.00 -0.40 0.00 0.00 41.96 38.58 1i6d s TYR 46 CO 0.09 -0.93 1.20 -1.12 -1.57 0.00 0.00 175.55 173.22 1i6d s SER 47 N -4.12 6.31 0.19 2.29 0.01 -1.26 -4.93 113.70 112.18 1i6d s SER 47 Ca 0.56 2.39 -0.12 0.00 1.31 0.00 0.00 55.95 60.10 1i6d s SER 47 Cb -0.12 -2.61 0.14 0.00 0.21 0.00 0.00 66.02 63.64 1i6d s SER 47 CO 0.54 -0.83 1.82 0.44 0.41 0.00 0.00 173.24 175.62 1i6d h ASP 48 N 2.38 0.58 0.02 2.44 3.32 -1.98 -2.04 116.42 121.14 1i6d h ASP 48 Ca -0.49 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.56 1i6d h ASP 48 Cb 1.24 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 1i6d h ASP 48 CO 0.61 0.40 -0.01 -0.65 -1.72 0.00 0.00 179.24 177.87 1i6d h PRO 49 N 0.70 0.00 -0.22 3.56 0.11 -1.86 0.02 132.00 134.32 1i6d h PRO 49 Ca 0.24 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.27 1i6d h PRO 49 Cb 0.04 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.14 1i6d h PRO 49 CO -0.11 0.01 -0.18 1.98 -0.21 0.00 0.00 178.00 179.50 1i6d h MET 50 N 0.00 0.50 -0.36 1.05 4.05 -1.77 -2.99 114.93 115.41 1i6d h MET 50 Ca -0.00 -0.25 -0.02 0.00 -0.28 0.00 0.00 59.70 59.15 1i6d h MET 50 Cb 0.02 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.81 1i6d h MET 50 CO 0.00 0.82 0.14 0.87 0.23 0.00 0.00 176.91 178.97 1i6d h LYS 51 N 0.19 0.55 -0.96 0.39 1.57 -1.03 -3.09 116.57 114.19 1i6d h LYS 51 Ca 0.04 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1i6d h LYS 51 Cb 0.71 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 1i6d h LYS 51 CO 0.05 0.54 0.06 0.00 -0.57 0.00 0.00 179.45 179.53 1i6d n ALA 52 N -2.30 2.92 -0.04 3.86 0.00 -0.04 -4.57 120.51 120.35 1i6d n ALA 52 Ca -0.01 -0.44 -0.00 0.00 0.00 0.00 0.00 53.44 52.99 1i6d n ALA 52 Cb 0.15 -1.05 -0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 0.44 -0.01 -1.69 0.00 6.17 -1.43 -3.49 115.15 115.14 1i6d h HIS 53 Ca 0.06 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1i6d h HIS 53 Cb 1.07 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.00 1i6d h HIS 53 CO 0.25 -0.01 0.00 0.41 0.71 0.00 0.00 177.93 179.29 1i6d n GLY 54 N 1.76 -1.45 0.00 5.26 0.00 -1.26 -5.13 105.19 104.37 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 -0.04 -0.72 3.32 -0.02 0.00 -1.26 -5.05 105.19 101.42 1i6d n GLY 55 Ca 0.00 -1.19 -0.21 0.00 0.00 0.00 0.00 46.02 44.63 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 0.00 2.58 -1.28 1.61 1.11 -1.26 -0.98 116.67 118.45 1i6d s ASP 56 Ca 0.00 -0.89 -0.17 0.00 0.18 0.00 0.00 52.55 51.67 1i6d s ASP 56 Cb 0.00 -0.14 0.10 0.00 1.07 0.00 0.00 42.92 43.94 1i6d s ASP 56 CO 0.00 -0.07 1.67 0.79 1.18 0.00 0.00 175.17 178.73 1i6d n TRP 57 N 0.18 4.73 -1.80 4.23 7.02 0.33 -4.89 117.44 127.24 1i6d n TRP 57 Ca -0.12 -2.98 -0.31 0.00 -1.02 0.00 0.00 57.50 53.06 1i6d n TRP 57 Cb 0.58 -2.52 0.03 0.00 -2.42 0.00 0.00 31.31 26.98 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 3.48 4.15 0.20 -0.99 -4.23 -1.26 -0.76 115.64 116.23 1i6d s THR 58 Ca 0.51 0.79 -0.12 0.00 -1.18 0.00 0.00 61.69 61.70 1i6d s THR 58 Cb 0.02 -3.51 0.16 0.00 1.34 0.00 0.00 72.50 70.51 1i6d s THR 58 CO 0.06 -0.82 1.69 1.55 -0.54 0.00 0.00 174.62 176.56 1i6d h PRO 59 N -0.25 0.17 -0.19 3.99 0.13 -1.99 0.20 132.00 134.06 1i6d h PRO 59 Ca -0.45 -0.01 0.05 0.00 -0.87 0.00 0.00 66.00 64.73 1i6d h PRO 59 Cb 1.21 -0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 1i6d h PRO 59 CO 0.58 0.11 -0.18 1.05 -0.23 0.00 0.00 178.00 179.33 1i6d h GLU 60 N 0.17 -0.20 -0.50 0.86 4.11 -1.99 -0.97 114.58 116.06 1i6d h GLU 60 Ca 0.29 0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.73 1i6d h GLU 60 Cb 0.44 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1i6d h GLU 60 CO -0.43 -0.13 0.30 0.00 0.07 0.00 0.00 179.01 178.81 1i6d h ALA 61 N 0.88 0.64 -0.20 1.06 0.00 -1.84 -2.00 119.26 117.81 1i6d h ALA 61 Ca 0.12 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1i6d h ALA 61 Cb 0.38 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1i6d h ALA 61 CO -0.31 0.14 0.03 -0.07 0.00 0.00 0.00 179.25 179.03 1i6d h LEU 62 N 0.67 -0.02 -1.03 0.00 3.38 -0.97 -0.90 115.31 116.44 1i6d h LEU 62 Ca 0.18 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 1i6d h LEU 62 Cb 0.01 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1i6d h LEU 62 CO -0.03 0.02 -0.06 0.06 0.09 0.00 0.00 178.44 178.52 1i6d h GLN 63 N 0.10 0.63 0.27 1.13 -0.00 -1.15 0.13 115.11 116.22 1i6d h GLN 63 Ca 0.09 -0.17 -0.01 0.00 -0.00 0.00 0.00 58.65 58.56 1i6d h GLN 63 Cb 0.09 -0.07 0.00 0.00 -0.00 0.00 0.00 27.48 27.50 1i6d h GLN 63 CO -0.13 0.69 -0.13 0.93 -0.00 0.00 0.00 178.83 180.19 1i6d h GLU 64 N 0.59 -0.35 -0.44 0.06 5.08 -1.37 -2.06 114.58 116.09 1i6d h GLU 64 Ca 0.11 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1i6d h GLU 64 Cb 0.46 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 1i6d h GLU 64 CO 0.02 -0.17 0.22 0.35 -1.00 0.00 0.00 179.01 178.43 1i6d h PHE 65 N -0.45 0.40 0.00 4.33 3.57 -1.09 -2.83 116.94 120.88 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 0.34 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1i6d h PHE 65 CO -0.04 0.20 0.00 1.28 -2.23 0.00 0.00 178.31 177.52 1i6d n LEU 66 N -4.92 0.00 0.11 0.59 4.77 0.44 -1.31 117.00 116.69 1i6d n LEU 66 Ca 0.03 0.47 -0.11 0.00 -0.03 0.00 0.00 56.01 56.37 1i6d n LEU 66 Cb 0.12 -0.47 -0.07 0.00 -2.33 0.00 0.00 43.42 40.67 1i6d n LEU 66 CO 0.29 -0.16 0.40 0.74 -1.33 0.00 0.00 177.39 177.33 1i6d h THR 67 N 0.00 0.62 -2.54 -5.08 2.02 -1.13 0.16 112.91 106.97 1i6d h THR 67 Ca 0.00 -0.87 -0.37 0.00 0.77 0.00 0.00 66.41 65.94 1i6d h THR 67 Cb 0.31 1.00 -0.37 0.00 -1.74 0.00 0.00 68.15 67.36 1i6d h THR 67 CO 0.00 0.15 -0.67 0.21 0.37 0.00 0.00 175.52 175.58 1i6d s ASN 68 N -5.24 1.92 0.17 4.18 3.84 -1.12 -4.20 114.94 114.50 1i6d s ASN 68 Ca -0.12 -0.57 -0.06 0.00 0.21 0.00 0.00 52.86 52.31 1i6d s ASN 68 Cb 0.01 0.22 0.06 0.00 -0.55 0.00 0.00 41.25 40.99 1i6d s ASN 68 CO 0.45 -0.36 1.50 1.55 -2.79 0.00 0.00 177.10 177.44 1i6d h PRO 69 N 8.33 0.71 0.00 0.43 0.13 -1.40 -3.07 132.00 137.13 1i6d h PRO 69 Ca -0.16 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1i6d h PRO 69 Cb 1.11 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1i6d h PRO 69 CO 0.32 1.03 0.00 1.63 -0.23 0.00 0.00 178.00 180.75 1i6d n LYS 70 N -4.00 0.04 -0.03 0.86 5.02 -1.26 -1.46 118.16 117.33 1i6d n LYS 70 Ca -0.03 0.18 -0.12 0.00 -2.02 0.00 0.00 58.31 56.31 1i6d n LYS 70 Cb 0.58 -1.56 -0.10 0.00 -0.02 0.00 0.00 35.03 33.92 1i6d n LYS 70 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i6d h ALA 71 N 2.66 -0.04 0.13 7.82 0.00 -1.93 -3.36 119.26 124.53 1i6d h ALA 71 Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1i6d h ALA 71 Cb 0.39 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1i6d h ALA 71 CO 0.00 -0.15 -0.06 0.28 0.00 0.00 0.00 179.25 179.32 1i6d h VAL 72 N -0.80 1.00 -3.48 0.00 2.07 -1.54 -3.38 116.25 110.12 1i6d h VAL 72 Ca -0.00 -1.19 -0.76 0.00 0.82 0.00 0.00 66.70 65.57 1i6d h VAL 72 Cb 0.69 1.66 -0.27 0.00 -1.52 0.00 0.00 31.29 31.85 1i6d h VAL 72 CO 0.01 0.25 -0.13 -0.69 0.02 0.00 0.00 177.57 177.03 1i6d s VAL 73 N -3.53 5.08 -0.68 2.57 1.01 -0.53 -5.04 120.40 119.26 1i6d s VAL 73 Ca -0.14 -2.10 -0.27 0.00 0.00 0.00 0.00 61.98 59.47 1i6d s VAL 73 Cb 0.00 -4.22 0.03 0.00 0.00 0.00 0.00 36.38 32.19 1i6d s VAL 73 CO 0.53 -0.92 1.31 -0.75 0.00 0.00 0.00 175.10 175.26 1i6d s LYS 74 N 0.78 3.23 0.00 2.72 2.20 -1.26 -2.61 119.74 124.81 1i6d s LYS 74 Ca 0.11 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.69 1i6d s LYS 74 Cb -0.20 -4.16 0.00 0.00 -1.51 0.00 0.00 37.83 31.96 1i6d s LYS 74 CO -0.03 -2.08 0.00 0.41 -0.36 0.00 0.00 175.35 173.29 1i6d n GLY 75 N 5.33 1.33 3.76 5.54 0.00 -1.26 -4.77 105.19 115.12 1i6d n GLY 75 Ca 0.06 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.06 4.73 -1.01 2.61 -1.32 -1.07 -4.50 115.64 113.01 1i6d s THR 76 Ca 0.00 1.53 0.00 0.00 -1.21 0.00 0.00 61.69 62.01 1i6d s THR 76 Cb 0.00 -4.06 0.00 0.00 -1.51 0.00 0.00 72.50 66.93 1i6d s THR 76 CO 0.00 0.41 0.36 2.29 -2.21 0.00 0.00 174.62 175.46 1i6d n LYS 77 N 2.58 0.71 -2.47 7.08 2.85 -1.26 -4.83 118.16 122.82 1i6d n LYS 77 Ca -0.04 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.79 1i6d n LYS 77 Cb 0.50 -1.35 -0.02 0.00 -0.65 0.00 0.00 35.03 33.51 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 -1.01 3.64 -1.44 -1.58 1.75 -1.26 -4.96 119.30 114.43 1i6d s MET 78 Ca 0.00 0.74 -0.13 0.00 -1.25 0.00 0.00 55.69 55.04 1i6d s MET 78 Cb 0.00 -3.97 0.05 0.00 2.84 0.00 0.00 34.83 33.75 1i6d s MET 78 CO 0.00 -1.49 2.21 0.00 -0.65 0.00 0.00 175.02 175.08 1i6d n ALA 79 N 8.38 5.58 -3.71 4.11 0.00 -1.26 -4.84 120.51 128.76 1i6d n ALA 79 Ca 0.14 -3.93 -0.16 0.00 0.00 0.00 0.00 53.44 49.49 1i6d n ALA 79 Cb 0.49 -3.47 -0.16 0.00 0.00 0.00 0.00 19.45 16.31 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 2.82 -0.08 -0.06 0.00 5.36 -1.26 -5.10 117.98 119.65 1i6d s PHE 80 Ca 0.47 0.41 -0.19 0.00 -0.96 0.00 0.00 56.93 56.65 1i6d s PHE 80 Cb 0.14 -0.25 -0.14 0.00 -0.34 0.00 0.00 43.02 42.42 1i6d s PHE 80 CO -0.08 -0.19 0.77 0.00 -1.46 0.00 0.00 175.22 174.26 1i6d h ALA 81 N 7.84 -0.22 0.00 11.12 0.00 -1.95 -3.42 119.26 132.63 1i6d h ALA 81 Ca -0.28 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1i6d h ALA 81 Cb 1.12 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1i6d h ALA 81 CO 0.29 -0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1i6d n GLY 82 N 0.74 2.73 3.37 0.00 0.00 -1.26 -4.37 105.19 106.40 1i6d n GLY 82 Ca -0.07 -0.54 -0.45 0.00 0.00 0.00 0.00 46.02 44.97 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 5.63 0.28 0.99 1.43 0.56 -5.00 118.68 122.57 1i6d s LEU 83 Ca 0.00 -1.42 0.04 0.00 -1.03 0.00 0.00 54.13 51.72 1i6d s LEU 83 Cb 0.00 -2.27 0.40 0.00 0.03 0.00 0.00 46.19 44.36 1i6d s LEU 83 CO 0.00 -0.86 1.69 1.55 0.23 0.00 0.00 176.35 178.95 1i6d h PRO 84 N 8.94 0.36 -6.21 1.29 0.13 -1.88 -3.40 132.00 131.23 1i6d h PRO 84 Ca -0.29 -0.16 -0.56 0.00 -0.87 0.00 0.00 66.00 64.11 1i6d h PRO 84 Cb 1.10 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.18 1i6d h PRO 84 CO 0.99 0.68 0.67 0.15 -0.23 0.00 0.00 178.00 180.26 1i6d s LYS 85 N -4.26 4.36 0.27 0.86 1.02 -1.26 -4.97 119.74 115.75 1i6d s LYS 85 Ca -0.06 1.44 0.00 0.00 0.02 0.00 0.00 55.97 57.38 1i6d s LYS 85 Cb 0.13 -3.58 0.61 0.00 -0.52 0.00 0.00 37.83 34.47 1i6d s LYS 85 CO 0.79 -0.44 1.72 0.97 -0.92 0.00 0.00 175.35 177.46 1i6d h ILE 86 N 5.20 0.56 -0.71 2.17 6.09 -2.00 -2.65 117.51 126.18 1i6d h ILE 86 Ca -0.28 -0.15 0.11 0.00 -1.37 0.00 0.00 64.86 63.17 1i6d h ILE 86 Cb 1.12 0.08 -0.08 0.00 0.47 0.00 0.00 36.82 38.42 1i6d h ILE 86 CO 0.90 0.08 0.32 -0.33 -3.07 0.00 0.00 178.15 176.05 1i6d h GLU 87 N 0.44 0.52 -0.27 2.19 5.08 -1.93 0.14 114.58 120.75 1i6d h GLU 87 Ca 0.50 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.81 1i6d h GLU 87 Cb 0.86 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1i6d h GLU 87 CO -0.47 0.34 0.09 -0.44 -1.00 0.00 0.00 179.01 177.54 1i6d h ASP 88 N 0.53 0.38 0.10 1.42 5.19 -1.86 -1.95 116.42 120.24 1i6d h ASP 88 Ca 0.36 -0.19 -0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1i6d h ASP 88 Cb 0.44 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.85 1i6d h ASP 88 CO -0.31 0.47 -0.06 0.03 -3.12 0.00 0.00 179.24 176.25 1i6d h ARG 89 N 0.27 -0.14 -0.72 3.56 3.08 -1.19 -1.84 114.38 117.41 1i6d h ARG 89 Ca 0.09 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 1i6d h ARG 89 Cb 0.22 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1i6d h ARG 89 CO -0.00 -0.10 0.29 0.00 -1.07 0.00 0.00 179.97 179.09 1i6d h ALA 90 N 0.75 1.16 0.03 0.04 0.00 -0.83 0.07 119.26 120.49 1i6d h ALA 90 Ca -0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1i6d h ALA 90 Cb 0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1i6d h ALA 90 CO 0.02 0.61 -0.02 -0.91 0.00 0.00 0.00 179.25 178.95 1i6d h ASN 91 N 1.03 -0.04 -0.45 0.00 2.35 -1.16 -0.65 115.58 116.67 1i6d h ASN 91 Ca 0.24 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 56.07 1i6d h ASN 91 Cb 0.19 0.01 -0.07 0.00 0.05 0.00 0.00 38.32 38.51 1i6d h ASN 91 CO -0.02 -0.03 0.05 0.25 -1.65 0.00 0.00 177.43 176.04 1i6d h LEU 92 N -0.04 -0.07 -1.10 1.61 5.85 -1.28 -1.95 115.31 118.32 1i6d h LEU 92 Ca -0.00 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 1i6d h LEU 92 Cb 0.03 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1i6d h LEU 92 CO 0.00 -0.00 -0.45 0.40 -0.34 0.00 0.00 178.44 178.05 1i6d h ILE 93 N 0.18 1.31 -0.44 4.05 2.04 -0.96 0.19 117.51 123.88 1i6d h ILE 93 Ca 0.22 -1.55 0.03 0.00 1.00 0.00 0.00 64.86 64.56 1i6d h ILE 93 Cb 0.30 1.84 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 1i6d h ILE 93 CO -0.32 0.44 0.24 0.00 0.00 0.00 0.00 178.15 178.51 1i6d h ALA 94 N 1.55 0.56 -0.24 1.87 0.00 -1.03 -1.42 119.26 120.55 1i6d h ALA 94 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i6d h ALA 94 Cb 0.80 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1i6d h ALA 94 CO 0.06 -0.10 0.15 -0.92 0.00 0.00 0.00 179.25 178.45 1i6d h TYR 95 N 0.48 0.30 -0.30 0.00 3.20 -0.96 -2.47 116.97 117.22 1i6d h TYR 95 Ca 0.18 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 1i6d h TYR 95 Cb 0.06 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 1i6d h TYR 95 CO -0.09 0.20 0.09 -0.07 -1.64 0.00 0.00 178.16 176.65 1i6d h LEU 96 N 0.31 0.38 -0.86 2.82 3.38 -0.66 0.80 115.31 121.48 1i6d h LEU 96 Ca 0.09 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1i6d h LEU 96 Cb -0.03 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1i6d h LEU 96 CO -0.02 0.37 0.37 -0.33 0.09 0.00 0.00 178.44 178.92 1i6d h GLU 97 N 0.42 1.20 -0.72 1.13 5.08 -1.27 -3.12 114.58 117.29 1i6d h GLU 97 Ca 0.10 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1i6d h GLU 97 Cb 0.14 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1i6d h GLU 97 CO -0.01 0.94 0.43 0.78 -1.00 0.00 0.00 179.01 180.16 1i6d h GLY 98 N 1.19 1.04 -4.54 -3.84 0.00 -0.98 -3.25 103.07 92.70 1i6d h GLY 98 Ca 0.28 -0.44 -0.44 0.00 0.00 0.00 0.00 47.33 46.74 1i6d h GLY 98 CO -0.03 0.42 0.79 -1.06 0.00 0.00 0.00 176.54 176.67 1i6d n GLN 99 N -4.53 2.70 0.00 4.80 1.13 0.23 -5.06 117.38 116.65 1i6d n GLN 99 Ca 0.06 -1.97 0.02 0.00 -1.94 0.00 0.00 57.00 53.17 1i6d n GLN 99 Cb 0.06 -2.24 0.01 0.00 0.11 0.00 0.00 30.24 28.19 1i6d n GLN 99 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56