#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 3.75 -3.42 3.04 0.00 -1.26 -1.93 120.51 120.68 1i6d n ALA 2 Ca 0.00 -4.61 -0.36 0.00 0.00 0.00 0.00 53.44 48.46 1i6d n ALA 2 Cb 0.00 -0.95 -0.13 0.00 0.00 0.00 0.00 19.45 18.37 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 -2.00 5.06 0.40 0.00 2.15 -1.26 -4.90 116.67 116.12 1i6d s ASP 3 Ca 0.34 -1.13 0.10 0.00 0.43 0.00 0.00 52.55 52.28 1i6d s ASP 3 Cb 0.07 -1.79 0.88 0.00 -0.30 0.00 0.00 42.92 41.78 1i6d s ASP 3 CO -0.08 -0.27 1.97 -0.65 -0.17 0.00 0.00 175.17 175.97 1i6d h PRO 4 N 8.12 0.56 -0.26 4.34 0.11 -1.84 -1.02 132.00 142.01 1i6d h PRO 4 Ca -0.24 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 1i6d h PRO 4 Cb 1.08 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1i6d h PRO 4 CO 0.57 0.37 0.08 0.00 -0.21 0.00 0.00 178.00 178.82 1i6d h ALA 5 N 1.66 0.34 -0.78 -0.75 0.00 -1.96 -0.11 119.26 117.67 1i6d h ALA 5 Ca 0.29 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1i6d h ALA 5 Cb 0.38 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1i6d h ALA 5 CO -0.09 -0.03 0.47 0.00 0.00 0.00 0.00 179.25 179.61 1i6d h ALA 6 N 0.91 1.38 -0.93 0.00 0.00 -1.90 -2.97 119.26 115.75 1i6d h ALA 6 Ca 0.08 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1i6d h ALA 6 Cb 0.24 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 1i6d h ALA 6 CO -0.00 0.54 0.60 0.78 0.00 0.00 0.00 179.25 181.17 1i6d h GLY 7 N 1.08 1.38 0.77 0.00 0.00 -1.02 -1.02 103.07 104.26 1i6d h GLY 7 Ca 0.28 -0.42 0.04 0.00 0.00 0.00 0.00 47.33 47.23 1i6d h GLY 7 CO -0.05 0.29 0.36 -2.09 0.00 0.00 0.00 176.54 175.04 1i6d h GLU 8 N 1.04 0.66 -0.42 4.80 4.81 -0.95 0.12 114.58 124.64 1i6d h GLU 8 Ca 0.41 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.61 1i6d h GLU 8 Cb 0.24 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1i6d h GLU 8 CO -0.16 0.44 0.27 0.87 -0.73 0.00 0.00 179.01 179.69 1i6d h LYS 9 N 0.68 0.53 -0.92 1.92 1.57 -1.33 -2.77 116.57 116.24 1i6d h LYS 9 Ca 0.26 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.03 1i6d h LYS 9 Cb 0.10 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.25 1i6d h LYS 9 CO -0.14 0.35 0.61 0.28 -0.57 0.00 0.00 179.45 179.97 1i6d h VAL 10 N 0.54 1.21 0.00 0.50 2.07 -1.11 -2.45 116.25 117.01 1i6d h VAL 10 Ca 0.16 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1i6d h VAL 10 Cb -0.04 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.62 1i6d h VAL 10 CO -0.05 0.22 0.13 0.15 0.02 0.00 0.00 177.57 178.04 1i6d h PHE 11 N 1.22 0.00 -1.16 1.57 3.04 -0.62 -1.97 116.94 119.01 1i6d h PHE 11 Ca 0.35 0.00 0.34 0.00 3.98 0.00 0.00 57.97 62.64 1i6d h PHE 11 Cb -0.10 0.00 -0.10 0.00 2.56 0.00 0.00 35.95 38.31 1i6d h PHE 11 CO -0.01 0.00 0.76 0.78 -2.02 0.00 0.00 178.31 177.82 1i6d h GLY 12 N 0.00 1.15 1.24 2.40 0.00 -1.15 0.16 103.07 106.88 1i6d h GLY 12 Ca 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 1i6d h GLY 12 CO 0.00 -0.23 0.18 0.50 0.00 0.00 0.00 176.54 176.99 1i6d h LYS 13 N 0.24 0.95 0.21 4.80 1.57 -1.55 -3.37 116.57 119.42 1i6d h LYS 13 Ca 0.68 -0.19 -0.32 0.00 -1.87 0.00 0.00 60.65 58.95 1i6d h LYS 13 Cb 1.99 -0.14 0.02 0.00 0.08 0.00 0.00 32.23 34.18 1i6d h LYS 13 CO -0.32 0.83 -1.51 0.00 -0.57 0.00 0.00 179.45 177.88 1i6d h LYS 15 N 0.04 0.00 -0.78 0.00 2.10 -1.18 -0.90 116.57 115.85 1i6d h LYS 15 Ca -0.28 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.40 1i6d h LYS 15 Cb 2.06 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 33.35 1i6d h LYS 15 CO 0.21 0.00 0.51 0.00 -2.00 0.00 0.00 179.45 178.18 1i6d h ALA 16 N 1.87 1.51 0.08 0.07 0.00 -1.80 -3.33 119.26 117.66 1i6d h ALA 16 Ca 0.08 -0.04 -0.37 0.00 0.00 0.00 0.00 54.91 54.58 1i6d h ALA 16 Cb 0.37 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1i6d h ALA 16 CO -0.00 0.42 -2.17 0.00 0.00 0.00 0.00 179.25 177.50 1i6d s HIS 18 N -2.54 2.82 -0.29 0.00 3.76 -0.39 -1.47 115.29 117.17 1i6d s HIS 18 Ca -0.26 -0.52 -0.03 0.00 -0.15 0.00 0.00 55.06 54.10 1i6d s HIS 18 Cb 0.07 -1.82 0.04 0.00 1.11 0.00 0.00 32.58 31.98 1i6d s HIS 18 CO 0.71 -0.12 0.02 0.15 -0.85 0.00 0.00 174.74 174.65 1i6d s LYS 19 N 0.15 2.66 0.46 1.40 -0.14 -1.24 -4.17 119.74 118.86 1i6d s LYS 19 Ca -0.06 -1.12 0.12 0.00 -1.36 0.00 0.00 55.97 53.55 1i6d s LYS 19 Cb -0.15 -3.21 1.04 0.00 -1.68 0.00 0.00 37.83 33.83 1i6d s LYS 19 CO 0.05 -0.55 2.06 -0.07 -0.76 0.00 0.00 175.35 176.08 1i6d h LEU 20 N 8.08 0.16 -5.70 3.17 3.38 -1.91 -3.27 115.31 119.22 1i6d h LEU 20 Ca -0.26 -0.01 -0.73 0.00 0.09 0.00 0.00 57.88 56.97 1i6d h LEU 20 Cb 1.09 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.71 1i6d h LEU 20 CO 0.57 0.18 2.73 0.47 0.09 0.00 0.00 178.44 182.47 1i6d n ASP 21 N -4.45 7.23 -3.67 -0.43 9.92 -1.26 -4.40 116.55 119.49 1i6d n ASP 21 Ca -0.01 -2.98 -0.27 0.00 -0.53 0.00 0.00 54.79 51.00 1i6d n ASP 21 Cb 0.14 -1.46 0.03 0.00 -0.64 0.00 0.00 41.12 39.19 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 2.58 -0.51 3.25 0.44 0.00 -1.23 -5.02 105.19 104.70 1i6d n GLY 22 Ca 0.60 0.18 -0.29 0.00 0.00 0.00 0.00 46.02 46.51 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 -3.13 2.70 -0.26 1.61 0.01 -1.25 -5.00 114.94 109.62 1i6d s ASN 23 Ca 0.57 -0.42 0.01 0.00 -0.71 0.00 0.00 52.86 52.31 1i6d s ASN 23 Cb -0.28 -0.35 0.08 0.00 0.41 0.00 0.00 41.25 41.10 1i6d s ASN 23 CO 0.70 0.27 0.00 -1.81 -1.51 0.00 0.00 177.10 174.76 1i6d s ASP 24 N -0.49 3.96 0.00 -1.22 1.11 -1.26 -3.05 116.67 115.71 1i6d s ASP 24 Ca 0.07 -1.41 0.00 0.00 0.18 0.00 0.00 52.55 51.40 1i6d s ASP 24 Cb -0.09 -1.13 0.00 0.00 1.07 0.00 0.00 42.92 42.77 1i6d s ASP 24 CO -0.00 -0.31 0.00 0.61 1.18 0.00 0.00 175.17 176.65 1i6d n GLY 25 N 4.68 0.50 0.17 0.21 0.00 -1.26 -4.95 105.19 104.53 1i6d n GLY 25 Ca -0.07 -0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 -1.51 1.61 2.07 -1.92 -3.47 116.25 113.03 1i6d h VAL 26 Ca 0.00 -0.65 -0.46 0.00 0.82 0.00 0.00 66.70 66.41 1i6d h VAL 26 Cb 0.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1i6d h VAL 26 CO 0.00 0.00 -0.34 -0.83 0.02 0.00 0.00 177.57 176.42 1i6d s GLY 27 N -2.97 2.04 1.20 2.17 0.00 -0.54 -5.03 107.32 104.19 1i6d s GLY 27 Ca -0.05 -1.79 -0.19 0.00 0.00 0.00 0.00 44.72 42.69 1i6d s GLY 27 CO 0.15 -1.61 1.11 2.56 0.00 0.00 0.00 173.10 175.31 1i6d s PRO 28 N -4.21 -1.19 0.06 2.90 0.04 -1.26 -4.56 135.00 126.78 1i6d s PRO 28 Ca 0.50 -0.06 -0.31 0.00 0.04 0.00 0.00 61.00 61.17 1i6d s PRO 28 Cb -0.06 -1.60 -0.06 0.00 0.04 0.00 0.00 34.50 32.82 1i6d s PRO 28 CO 0.30 -3.69 1.30 -3.38 0.04 0.00 0.00 177.00 171.56 1i6d s HIS 29 N -3.01 3.25 -0.94 0.56 -3.43 -1.17 -3.59 115.29 106.95 1i6d s HIS 29 Ca 0.71 1.09 0.10 0.00 -0.80 0.00 0.00 55.06 56.16 1i6d s HIS 29 Cb -0.10 -3.55 0.49 0.00 -1.43 0.00 0.00 32.58 27.99 1i6d s HIS 29 CO 0.56 -1.86 1.31 1.28 -2.00 0.00 0.00 174.74 174.03 1i6d n LEU 30 N 4.30 3.59 -4.68 5.38 4.77 -1.25 -4.86 117.00 124.26 1i6d n LEU 30 Ca 0.11 -1.82 -0.43 0.00 -0.03 0.00 0.00 56.01 53.84 1i6d n LEU 30 Cb 0.44 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1i6d n LEU 30 CO 0.57 0.53 0.93 0.54 -1.33 0.00 0.00 177.39 178.63 1i6d s ASN 31 N -0.64 7.09 -0.72 -1.43 2.20 -1.26 -3.78 114.94 116.40 1i6d s ASN 31 Ca 0.34 1.66 -0.02 0.00 -0.94 0.00 0.00 52.86 53.90 1i6d s ASN 31 Cb 0.24 -2.55 0.00 0.00 -2.00 0.00 0.00 41.25 36.94 1i6d s ASN 31 CO 0.13 -0.59 0.62 0.61 -2.94 0.00 0.00 177.10 174.92 1i6d n GLY 32 N 3.34 0.04 0.11 0.45 0.00 -0.38 -4.97 105.19 103.78 1i6d n GLY 32 Ca 0.11 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.29 0.85 -2.93 1.61 3.04 -1.76 -3.41 116.25 112.37 1i6d h VAL 33 Ca -0.33 -2.61 -0.57 0.00 -1.01 0.00 0.00 66.70 62.19 1i6d h VAL 33 Cb 1.20 2.54 -0.04 0.00 -2.01 0.00 0.00 31.29 32.98 1i6d h VAL 33 CO 0.30 0.72 1.01 -0.69 -1.01 0.00 0.00 177.57 177.90 1i6d s VAL 34 N -2.59 4.01 0.00 1.51 1.01 -1.26 -1.90 120.40 121.18 1i6d s VAL 34 Ca -0.12 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.03 1i6d s VAL 34 Cb 0.07 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1i6d s VAL 34 CO 0.81 -0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1i6d n GLY 35 N 4.21 0.80 3.76 4.51 0.00 0.16 -5.00 105.19 113.61 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 -0.32 4.73 0.38 1.61 3.52 -0.80 -4.60 118.95 123.48 1i6d s ARG 36 Ca 0.00 1.36 -0.26 0.00 -0.13 0.00 0.00 55.73 56.69 1i6d s ARG 36 Cb 0.00 -3.29 -0.11 0.00 -1.56 0.00 0.00 34.95 29.99 1i6d s ARG 36 CO 0.00 0.49 1.23 2.41 -0.81 0.00 0.00 175.30 178.62 1i6d n THR 37 N 1.75 2.29 -2.19 4.11 -1.04 -1.26 0.07 114.28 118.01 1i6d n THR 37 Ca -0.03 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.06 1i6d n THR 37 Cb 0.48 -1.49 -0.03 0.00 -1.82 0.00 0.00 70.33 67.47 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 -1.16 3.59 -1.42 12.58 1.01 -0.60 -1.08 120.40 133.32 1i6d s VAL 38 Ca 0.59 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.59 1i6d s VAL 38 Cb -0.55 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1i6d s VAL 38 CO 0.60 0.01 0.00 0.00 0.00 0.00 0.00 175.10 175.71 1i6d n ALA 39 N 5.10 -0.27 -1.57 5.51 0.00 -1.26 -4.76 120.51 123.27 1i6d n ALA 39 Ca 0.13 0.20 -0.29 0.00 0.00 0.00 0.00 53.44 53.48 1i6d n ALA 39 Cb 0.43 -1.58 -0.05 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.18 4.46 2.69 0.00 0.00 -0.24 -4.71 105.19 106.21 1i6d n GLY 40 Ca -0.15 -1.88 -0.28 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.77 0.46 -0.51 1.61 1.01 -1.26 -4.85 120.40 115.09 1i6d s VAL 41 Ca 0.59 -0.77 -0.28 0.00 0.00 0.00 0.00 61.98 61.52 1i6d s VAL 41 Cb 0.33 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.58 1i6d s VAL 41 CO -0.18 -0.41 1.46 -1.81 0.00 0.00 0.00 175.10 174.16 1i6d s ASP 42 N 1.86 6.12 0.00 3.32 1.01 -1.26 -3.10 116.67 124.62 1i6d s ASP 42 Ca 0.03 0.50 0.00 0.00 0.71 0.00 0.00 52.55 53.80 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 -0.17 -1.67 0.00 0.61 0.21 0.00 0.00 175.17 174.15 1i6d n GLY 43 N 5.24 3.09 3.78 0.21 0.00 -1.26 -5.14 105.19 111.11 1i6d n GLY 43 Ca 0.15 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 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 3.75 -0.98 1.61 5.36 -1.18 -5.04 117.98 121.51 1i6d s PHE 44 Ca 0.00 1.30 -0.23 0.00 -0.96 0.00 0.00 56.93 57.04 1i6d s PHE 44 Cb 0.00 -2.62 0.06 0.00 -0.34 0.00 0.00 43.02 40.12 1i6d s PHE 44 CO 0.00 0.43 1.39 1.21 -1.46 0.00 0.00 175.22 176.79 1i6d s ASN 45 N -0.53 6.47 0.58 6.13 2.47 -1.26 -4.96 114.94 123.83 1i6d s ASN 45 Ca 0.32 -1.40 -0.17 0.00 0.42 0.00 0.00 52.86 52.03 1i6d s ASN 45 Cb -0.19 -2.55 -0.04 0.00 -1.45 0.00 0.00 41.25 37.02 1i6d s ASN 45 CO 0.19 -1.50 1.07 -0.31 -3.72 0.00 0.00 177.10 172.84 1i6d s TYR 46 N 4.80 2.90 0.51 0.43 2.02 -1.26 -5.06 117.35 121.70 1i6d s TYR 46 Ca 0.43 1.53 -0.22 0.00 -0.37 0.00 0.00 57.07 58.44 1i6d s TYR 46 Cb -0.02 -3.07 -0.06 0.00 -0.40 0.00 0.00 41.96 38.41 1i6d s TYR 46 CO -0.07 -1.19 1.27 0.45 -1.57 0.00 0.00 175.55 174.44 1i6d s SER 47 N -2.49 5.64 0.21 2.29 0.15 -1.26 -4.87 113.70 113.37 1i6d s SER 47 Ca 0.66 2.56 -0.09 0.00 0.70 0.00 0.00 55.95 59.77 1i6d s SER 47 Cb -0.18 -2.62 0.25 0.00 -1.71 0.00 0.00 66.02 61.76 1i6d s SER 47 CO 0.33 -1.30 1.80 0.44 1.20 0.00 0.00 173.24 175.71 1i6d h ASP 48 N 1.68 0.53 0.08 5.45 3.32 -1.97 -1.74 116.42 123.77 1i6d h ASP 48 Ca -0.50 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 1i6d h ASP 48 Cb 1.28 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 1i6d h ASP 48 CO 0.58 0.34 -0.04 -0.65 -1.72 0.00 0.00 179.24 177.75 1i6d h PRO 49 N 0.67 0.00 -0.27 3.56 0.11 -1.85 0.18 132.00 134.39 1i6d h PRO 49 Ca 0.30 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.31 1i6d h PRO 49 Cb 0.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 1i6d h PRO 49 CO -0.19 0.04 -0.24 1.98 -0.21 0.00 0.00 178.00 179.39 1i6d h MET 50 N 0.00 0.64 -0.05 1.05 1.85 -1.71 -2.89 114.93 113.82 1i6d h MET 50 Ca -0.00 -0.33 -0.00 0.00 -0.61 0.00 0.00 59.70 58.76 1i6d h MET 50 Cb 0.10 0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.13 1i6d h MET 50 CO 0.01 0.93 0.03 0.87 -0.40 0.00 0.00 176.91 178.34 1i6d h LYS 51 N 0.38 0.07 -1.44 0.39 1.57 -1.02 -3.18 116.57 113.34 1i6d h LYS 51 Ca 0.05 -0.01 -0.35 0.00 -1.87 0.00 0.00 60.65 58.47 1i6d h LYS 51 Cb 0.79 -0.02 -0.15 0.00 0.08 0.00 0.00 32.23 32.93 1i6d h LYS 51 CO 0.06 0.10 0.46 0.00 -0.57 0.00 0.00 179.45 179.50 1i6d n ALA 52 N -2.13 5.17 -0.06 3.86 0.00 0.02 -4.63 120.51 122.75 1i6d n ALA 52 Ca -0.06 -1.81 -0.02 0.00 0.00 0.00 0.00 53.44 51.54 1i6d n ALA 52 Cb 0.05 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.09 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 1.47 0.00 -1.77 0.00 6.17 -1.48 -3.47 115.15 116.07 1i6d h HIS 53 Ca 0.32 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.40 1i6d h HIS 53 Cb 0.97 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.90 1i6d h HIS 53 CO 0.87 0.07 0.00 0.41 0.71 0.00 0.00 177.93 179.98 1i6d n GLY 54 N 1.73 -1.10 0.00 5.26 0.00 -1.26 -5.12 105.19 104.69 1i6d n GLY 54 Ca -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.12 -1.77 3.16 -0.02 0.00 -1.26 -5.06 105.19 100.12 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 -1.13 1.45 -1.33 1.61 1.01 -1.26 -1.56 116.67 115.46 1i6d s ASP 56 Ca 0.00 -0.70 -0.16 0.00 0.71 0.00 0.00 52.55 52.40 1i6d s ASP 56 Cb 0.00 -0.01 0.08 0.00 1.01 0.00 0.00 42.92 44.00 1i6d s ASP 56 CO 0.00 -0.18 1.84 0.79 0.21 0.00 0.00 175.17 177.82 1i6d n TRP 57 N 0.97 4.32 -1.60 4.23 7.02 0.11 -4.88 117.44 127.61 1i6d n TRP 57 Ca -0.19 -2.94 -0.31 0.00 -1.02 0.00 0.00 57.50 53.04 1i6d n TRP 57 Cb 0.56 -2.52 0.05 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 3.41 3.94 0.22 -0.99 -4.23 -1.26 -0.67 115.64 116.06 1i6d s THR 58 Ca 0.50 0.63 -0.09 0.00 -1.18 0.00 0.00 61.69 61.55 1i6d s THR 58 Cb 0.06 -3.40 0.21 0.00 1.34 0.00 0.00 72.50 70.71 1i6d s THR 58 CO 0.02 -0.82 1.67 1.55 -0.54 0.00 0.00 174.62 176.50 1i6d h PRO 59 N -0.74 0.17 0.05 3.99 0.13 -1.98 0.15 132.00 133.77 1i6d h PRO 59 Ca -0.44 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 64.70 1i6d h PRO 59 Cb 1.22 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 1i6d h PRO 59 CO 0.58 0.11 -0.26 1.49 -0.23 0.00 0.00 178.00 179.69 1i6d h GLU 60 N 0.18 -0.41 -0.57 0.86 4.57 -1.99 -1.21 114.58 116.00 1i6d h GLU 60 Ca 0.35 0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.57 1i6d h GLU 60 Cb 0.58 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.24 1i6d h GLU 60 CO -0.51 -0.27 0.37 0.00 -1.18 0.00 0.00 179.01 177.42 1i6d h ALA 61 N 0.36 0.73 -0.04 2.92 0.00 -1.82 -2.31 119.26 119.10 1i6d h ALA 61 Ca 0.05 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1i6d h ALA 61 Cb 0.48 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1i6d h ALA 61 CO -0.19 0.15 -0.04 -0.07 0.00 0.00 0.00 179.25 179.09 1i6d h LEU 62 N 0.76 -0.13 -0.84 0.00 3.38 -1.00 -1.70 115.31 115.77 1i6d h LEU 62 Ca 0.21 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 1i6d h LEU 62 Cb -0.07 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1i6d h LEU 62 CO -0.06 -0.06 0.42 0.06 0.09 0.00 0.00 178.44 178.89 1i6d h GLN 63 N -0.06 1.20 0.01 1.13 3.07 -1.20 0.29 115.11 119.55 1i6d h GLN 63 Ca 0.03 -0.17 -0.00 0.00 0.09 0.00 0.00 58.65 58.61 1i6d h GLN 63 Cb 0.10 -0.22 0.00 0.00 0.08 0.00 0.00 27.48 27.44 1i6d h GLN 63 CO -0.07 0.91 -0.00 0.93 0.09 0.00 0.00 178.83 180.68 1i6d h GLU 64 N 1.18 -0.01 -0.54 0.06 5.08 -1.47 -2.90 114.58 115.98 1i6d h GLU 64 Ca 0.29 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.70 1i6d h GLU 64 Cb 0.09 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 1i6d h GLU 64 CO -0.04 0.04 0.27 0.35 -1.00 0.00 0.00 179.01 178.63 1i6d h PHE 65 N -0.06 0.49 0.00 4.33 3.57 -1.22 -3.16 116.94 120.89 1i6d h PHE 65 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1i6d h PHE 65 Cb 0.06 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1i6d h PHE 65 CO -0.06 0.23 0.00 -0.07 -2.23 0.00 0.00 178.31 176.18 1i6d h LEU 66 N 0.51 0.00 -0.18 0.59 3.38 -0.97 -0.95 115.31 117.69 1i6d h LEU 66 Ca 0.24 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.99 1i6d h LEU 66 Cb 0.16 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.92 1i6d h LEU 66 CO -0.18 0.00 -0.73 0.74 0.09 0.00 0.00 178.44 178.36 1i6d h THR 67 N 0.00 1.28 -2.05 0.22 2.02 -1.52 0.10 112.91 112.96 1i6d h THR 67 Ca 0.00 -1.92 -0.30 0.00 0.77 0.00 0.00 66.41 64.95 1i6d h THR 67 Cb 0.59 1.92 -0.32 0.00 -1.74 0.00 0.00 68.15 68.59 1i6d h THR 67 CO 0.00 0.61 -0.62 0.21 0.37 0.00 0.00 175.52 176.09 1i6d s ASN 68 N -7.08 1.41 0.21 4.18 3.84 -1.15 -4.09 114.94 112.26 1i6d s ASN 68 Ca -0.10 -0.72 -0.00 0.00 0.21 0.00 0.00 52.86 52.24 1i6d s ASN 68 Cb 0.09 0.63 0.16 0.00 -0.55 0.00 0.00 41.25 41.57 1i6d s ASN 68 CO 0.90 -0.38 1.52 1.55 -2.79 0.00 0.00 177.10 177.90 1i6d h PRO 69 N 8.20 0.43 0.00 0.43 0.13 -1.39 -3.03 132.00 136.76 1i6d h PRO 69 Ca -0.12 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1i6d h PRO 69 Cb 1.08 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1i6d h PRO 69 CO 0.32 0.89 0.00 0.87 -0.23 0.00 0.00 178.00 179.85 1i6d h LYS 70 N 0.32 0.00 -0.03 0.86 1.57 -1.87 -1.28 116.57 116.14 1i6d h LYS 70 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1i6d h LYS 70 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1i6d h LYS 70 CO 0.10 0.00 -0.17 0.00 -0.57 0.00 0.00 179.45 178.81 1i6d h ALA 71 N 2.00 0.07 0.02 3.86 0.00 -1.94 -3.33 119.26 119.94 1i6d h ALA 71 Ca 0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1i6d h ALA 71 Cb 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1i6d h ALA 71 CO 0.00 0.02 -0.01 0.28 0.00 0.00 0.00 179.25 179.55 1i6d h VAL 72 N -0.41 1.38 -3.38 0.00 2.07 -1.56 -3.39 116.25 110.95 1i6d h VAL 72 Ca -0.01 -1.23 -0.73 0.00 0.82 0.00 0.00 66.70 65.55 1i6d h VAL 72 Cb 0.84 2.20 -0.29 0.00 -1.52 0.00 0.00 31.29 32.52 1i6d h VAL 72 CO 0.04 0.31 -0.31 -0.69 0.02 0.00 0.00 177.57 176.94 1i6d s VAL 73 N -4.07 4.41 -0.68 2.57 1.01 -0.48 -5.06 120.40 118.11 1i6d s VAL 73 Ca -0.16 -2.02 -0.27 0.00 0.00 0.00 0.00 61.98 59.53 1i6d s VAL 73 Cb 0.01 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.53 1i6d s VAL 73 CO 0.66 -0.83 1.52 -0.75 0.00 0.00 0.00 175.10 175.70 1i6d s LYS 74 N 1.02 2.96 0.00 2.72 2.20 -1.25 -2.35 119.74 125.05 1i6d s LYS 74 Ca 0.09 0.13 0.00 0.00 -0.36 0.00 0.00 55.97 55.82 1i6d s LYS 74 Cb -0.24 -4.26 0.00 0.00 -1.51 0.00 0.00 37.83 31.82 1i6d s LYS 74 CO -0.02 -2.38 0.00 0.41 -0.36 0.00 0.00 175.35 173.00 1i6d n GLY 75 N 5.51 1.30 3.75 5.54 0.00 -1.26 -4.73 105.19 115.29 1i6d n GLY 75 Ca 0.10 -0.19 -0.41 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 -2.12 3.65 -2.00 2.61 -1.32 -0.99 -4.51 115.64 110.96 1i6d s THR 76 Ca 0.00 1.51 0.08 0.00 -1.21 0.00 0.00 61.69 62.07 1i6d s THR 76 Cb 0.00 -3.96 0.22 0.00 -1.51 0.00 0.00 72.50 67.25 1i6d s THR 76 CO 0.00 0.30 0.92 2.29 -2.21 0.00 0.00 174.62 175.92 1i6d n LYS 77 N 1.89 0.49 -2.40 7.08 2.85 -1.26 -4.80 118.16 122.01 1i6d n LYS 77 Ca 0.01 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.85 1i6d n LYS 77 Cb 0.45 -1.25 -0.02 0.00 -0.65 0.00 0.00 35.03 33.56 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 3.54 -1.35 -1.58 1.75 -1.26 -4.96 119.30 113.43 1i6d s MET 78 Ca 0.12 0.76 -0.14 0.00 -1.25 0.00 0.00 55.69 55.18 1i6d s MET 78 Cb 0.05 -4.02 0.09 0.00 2.84 0.00 0.00 34.83 33.79 1i6d s MET 78 CO 0.09 -1.61 1.94 0.00 -0.65 0.00 0.00 175.02 174.79 1i6d n ALA 79 N 8.81 4.83 -3.66 4.11 0.00 -1.26 -4.82 120.51 128.51 1i6d n ALA 79 Ca 0.15 -4.01 -0.20 0.00 0.00 0.00 0.00 53.44 49.38 1i6d n ALA 79 Cb 0.48 -3.38 -0.17 0.00 0.00 0.00 0.00 19.45 16.39 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 2.67 0.72 -0.05 0.00 5.36 -1.26 -5.10 117.98 120.31 1i6d s PHE 80 Ca 0.47 -0.20 -0.10 0.00 -0.96 0.00 0.00 56.93 56.14 1i6d s PHE 80 Cb 0.09 -0.68 -0.05 0.00 -0.34 0.00 0.00 43.02 42.03 1i6d s PHE 80 CO -0.02 -0.22 0.42 0.00 -1.46 0.00 0.00 175.22 173.95 1i6d h ALA 81 N 7.40 -0.37 0.00 11.12 0.00 -1.94 -3.40 119.26 132.06 1i6d h ALA 81 Ca -0.35 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1i6d h ALA 81 Cb 1.15 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1i6d h ALA 81 CO 0.43 -0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.75 1i6d n GLY 82 N 0.85 2.49 3.47 0.00 0.00 -1.26 -4.37 105.19 106.36 1i6d n GLY 82 Ca -0.04 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 4.82 0.11 0.99 1.43 0.36 -4.94 118.68 121.45 1i6d s LEU 83 Ca 0.00 -0.74 -0.06 0.00 -1.03 0.00 0.00 54.13 52.30 1i6d s LEU 83 Cb 0.00 -2.52 -0.14 0.00 0.03 0.00 0.00 46.19 43.57 1i6d s LEU 83 CO 0.00 -0.84 1.27 1.55 0.23 0.00 0.00 176.35 178.55 1i6d h PRO 84 N 8.95 0.44 -6.32 1.29 0.13 -1.89 -3.36 132.00 131.24 1i6d h PRO 84 Ca -0.27 -0.50 -0.55 0.00 -0.87 0.00 0.00 66.00 63.81 1i6d h PRO 84 Cb 1.10 0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 1i6d h PRO 84 CO 0.93 1.15 0.59 0.15 -0.23 0.00 0.00 178.00 180.60 1i6d s LYS 85 N -3.20 4.41 0.26 0.86 1.02 -1.26 -4.98 119.74 116.86 1i6d s LYS 85 Ca -0.06 1.54 -0.01 0.00 0.02 0.00 0.00 55.97 57.46 1i6d s LYS 85 Cb 0.08 -3.52 0.54 0.00 -0.52 0.00 0.00 37.83 34.41 1i6d s LYS 85 CO 0.88 -0.33 1.76 0.97 -0.92 0.00 0.00 175.35 177.71 1i6d h ILE 86 N 4.98 0.72 -0.37 2.17 6.09 -2.00 -2.97 117.51 126.13 1i6d h ILE 86 Ca -0.34 -0.21 0.08 0.00 -1.37 0.00 0.00 64.86 63.01 1i6d h ILE 86 Cb 1.17 0.05 -0.08 0.00 0.47 0.00 0.00 36.82 38.43 1i6d h ILE 86 CO 0.85 0.11 -0.13 -0.33 -3.07 0.00 0.00 178.15 175.58 1i6d h GLU 87 N 0.62 -0.06 -0.69 2.19 3.07 -1.94 0.40 114.58 118.18 1i6d h GLU 87 Ca 0.47 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 59.35 1i6d h GLU 87 Cb 0.67 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.55 1i6d h GLU 87 CO -0.37 -0.04 0.45 -0.44 -1.40 0.00 0.00 179.01 177.22 1i6d h ASP 88 N -0.06 0.77 0.27 1.42 5.19 -1.86 -0.77 116.42 121.37 1i6d h ASP 88 Ca 0.18 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.56 1i6d h ASP 88 Cb 0.33 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.66 1i6d h ASP 88 CO -0.41 0.55 -0.13 0.03 -3.12 0.00 0.00 179.24 176.16 1i6d h ARG 89 N 0.91 -0.35 -0.91 3.56 3.08 -1.34 -1.59 114.38 117.74 1i6d h ARG 89 Ca 0.26 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.33 1i6d h ARG 89 Cb -0.06 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 1i6d h ARG 89 CO -0.07 -0.15 0.54 0.00 -1.07 0.00 0.00 179.97 179.22 1i6d h ALA 90 N 0.23 1.23 0.19 0.04 0.00 -0.95 0.37 119.26 120.38 1i6d h ALA 90 Ca -0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1i6d h ALA 90 Cb 0.35 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1i6d h ALA 90 CO 0.06 0.65 -0.14 -0.91 0.00 0.00 0.00 179.25 178.91 1i6d h ASN 91 N 1.26 -0.37 -0.35 0.00 2.35 -0.44 -1.32 115.58 116.72 1i6d h ASN 91 Ca 0.33 0.03 0.06 0.00 -0.55 0.00 0.00 56.30 56.17 1i6d h ASN 91 Cb -0.04 0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.39 1i6d h ASN 91 CO -0.06 -0.22 -0.00 0.25 -1.65 0.00 0.00 177.43 175.74 1i6d h LEU 92 N -0.34 -0.15 -0.92 1.61 5.85 -1.21 -2.14 115.31 118.01 1i6d h LEU 92 Ca -0.01 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 1i6d h LEU 92 Cb 0.30 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1i6d h LEU 92 CO -0.01 -0.04 0.24 0.40 -0.34 0.00 0.00 178.44 178.69 1i6d h ILE 93 N 0.09 1.24 -0.76 4.05 2.04 -0.94 0.87 117.51 124.11 1i6d h ILE 93 Ca 0.17 -0.81 0.09 0.00 1.00 0.00 0.00 64.86 65.31 1i6d h ILE 93 Cb 0.23 0.47 -0.07 0.00 -0.74 0.00 0.00 36.82 36.71 1i6d h ILE 93 CO -0.29 0.32 0.41 0.00 0.00 0.00 0.00 178.15 178.60 1i6d h ALA 94 N 1.26 1.07 -0.35 1.87 0.00 -1.16 0.89 119.26 122.84 1i6d h ALA 94 Ca 0.23 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1i6d h ALA 94 Cb 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1i6d h ALA 94 CO -0.01 0.04 0.17 -0.92 0.00 0.00 0.00 179.25 178.52 1i6d h TYR 95 N 0.70 0.49 -0.25 0.00 3.20 -1.00 -2.28 116.97 117.84 1i6d h TYR 95 Ca 0.37 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.19 1i6d h TYR 95 Cb 0.34 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 1i6d h TYR 95 CO -0.08 0.42 0.04 -0.07 -1.64 0.00 0.00 178.16 176.83 1i6d h LEU 96 N 0.42 0.33 -1.01 2.82 3.38 -0.67 0.45 115.31 121.03 1i6d h LEU 96 Ca 0.12 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1i6d h LEU 96 Cb 0.11 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1i6d h LEU 96 CO -0.02 0.35 0.28 -0.33 0.09 0.00 0.00 178.44 178.81 1i6d h GLU 97 N 0.36 0.99 -0.61 1.13 5.08 -0.85 -3.12 114.58 117.56 1i6d h GLU 97 Ca 0.09 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1i6d h GLU 97 Cb 0.17 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1i6d h GLU 97 CO -0.00 0.80 0.34 0.78 -1.00 0.00 0.00 179.01 179.93 1i6d h GLY 98 N 1.05 0.90 -4.72 -3.84 0.00 -0.92 -3.29 103.07 92.25 1i6d h GLY 98 Ca 0.23 -0.40 -0.51 0.00 0.00 0.00 0.00 47.33 46.65 1i6d h GLY 98 CO -0.02 0.38 1.01 -1.06 0.00 0.00 0.00 176.54 176.85 1i6d n GLN 99 N -4.58 2.95 0.00 4.80 1.13 0.10 -5.07 117.38 116.71 1i6d n GLN 99 Ca 0.04 -2.32 0.03 0.00 -1.94 0.00 0.00 57.00 52.81 1i6d n GLN 99 Cb 0.08 -2.29 0.02 0.00 0.11 0.00 0.00 30.24 28.17 1i6d n GLN 99 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56