#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u4l s SER 5 N 0.00 1.48 0.00 4.04 0.15 -1.26 -5.03 113.70 113.09 1u4l s SER 5 Ca 0.00 -0.34 0.25 0.00 0.70 0.00 0.00 55.95 56.55 1u4l s SER 5 Cb 0.00 -0.12 0.44 0.00 -1.71 0.00 0.00 66.02 64.63 1u4l s SER 5 CO 0.00 0.08 1.36 -0.90 1.20 0.00 0.00 173.24 174.98 1u4l n ASP 6 N 2.31 1.20 -4.85 5.45 5.68 -1.26 -4.95 116.55 120.13 1u4l n ASP 6 Ca -0.16 -0.96 -0.30 0.00 -0.50 0.00 0.00 54.79 52.86 1u4l n ASP 6 Cb 0.55 0.32 0.05 0.00 -1.14 0.00 0.00 41.12 40.90 1u4l n ASP 6 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1u4l s THR 7 N -2.61 3.70 -0.07 2.12 -4.23 -1.26 -5.08 115.64 108.20 1u4l s THR 7 Ca 0.19 0.55 0.02 0.00 -1.18 0.00 0.00 61.69 61.28 1u4l s THR 7 Cb 0.18 -3.43 0.01 0.00 1.34 0.00 0.00 72.50 70.61 1u4l s THR 7 CO 0.59 -0.72 -0.13 -0.89 -0.54 0.00 0.00 174.62 172.93 1u4l s THR 8 N -3.21 1.21 -0.05 3.99 2.01 -1.26 -5.12 115.64 113.21 1u4l s THR 8 Ca 0.58 -0.51 -0.30 0.00 0.31 0.00 0.00 61.69 61.77 1u4l s THR 8 Cb -0.13 -1.10 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 1u4l s THR 8 CO 0.53 0.37 1.11 -2.16 -0.69 0.00 0.00 174.62 173.78 1u4l s PRO 9 N 0.69 4.41 0.26 4.92 0.04 -1.26 -5.03 135.00 139.04 1u4l s PRO 9 Ca -0.14 1.56 0.08 0.00 0.04 0.00 0.00 61.00 62.54 1u4l s PRO 9 Cb -0.16 -3.51 -0.05 0.00 0.04 0.00 0.00 34.50 30.81 1u4l s PRO 9 CO 0.03 -0.33 -0.10 0.00 0.04 0.00 0.00 177.00 176.64 1u4l n PHE 12 N 2.90 0.00 -3.53 0.00 3.72 -1.26 -4.52 117.46 114.77 1u4l n PHE 12 Ca -0.18 -0.10 -0.16 0.00 -0.05 0.00 0.00 57.45 56.96 1u4l n PHE 12 Cb 0.52 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 39.00 1u4l n PHE 12 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1u4l s ALA 13 N -0.21 -1.60 -0.02 4.37 0.00 -1.26 -5.16 121.76 117.88 1u4l s ALA 13 Ca 0.00 1.01 0.03 0.00 0.00 0.00 0.00 51.96 53.00 1u4l s ALA 13 Cb 0.00 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 1u4l s ALA 13 CO 0.00 -0.44 -0.10 0.71 0.00 0.00 0.00 175.76 175.93 1u4l s TYR 14 N -1.79 2.82 0.27 0.00 2.02 -1.26 -4.66 117.35 114.75 1u4l s TYR 14 Ca -0.08 -0.07 -0.30 0.00 -0.37 0.00 0.00 57.07 56.24 1u4l s TYR 14 Cb -0.01 -1.62 -0.11 0.00 -0.40 0.00 0.00 41.96 39.82 1u4l s TYR 14 CO 0.04 0.31 1.58 -1.50 -1.57 0.00 0.00 175.55 174.41 1u4l s ILE 15 N -0.89 2.20 0.17 2.71 2.07 -0.06 -4.91 121.20 122.50 1u4l s ILE 15 Ca 0.14 0.17 -0.10 0.00 -1.41 0.00 0.00 60.65 59.45 1u4l s ILE 15 Cb -0.11 -3.11 0.05 0.00 0.13 0.00 0.00 42.46 39.42 1u4l s ILE 15 CO 0.04 0.02 1.62 0.00 -1.91 0.00 0.00 174.94 174.72 1u4l h ALA 16 N 5.19 0.76 -2.96 1.50 0.00 -1.98 -3.46 119.26 118.32 1u4l h ALA 16 Ca -0.46 -0.31 -0.64 0.00 0.00 0.00 0.00 54.91 53.50 1u4l h ALA 16 Cb 1.22 -0.21 -0.16 0.00 0.00 0.00 0.00 17.79 18.64 1u4l h ALA 16 CO 0.81 0.61 -0.78 -0.98 0.00 0.00 0.00 179.25 178.91 1u4l s ARG 17 N -5.00 1.74 0.19 0.00 1.04 -1.26 -5.09 118.95 110.57 1u4l s ARG 17 Ca -0.12 -1.47 -0.33 0.00 -1.04 0.00 0.00 55.73 52.77 1u4l s ARG 17 Cb 0.13 -1.95 -0.14 0.00 -2.04 0.00 0.00 34.95 30.95 1u4l s ARG 17 CO 0.85 0.40 1.48 -2.30 -0.04 0.00 0.00 175.30 175.69 1u4l n PRO 18 N 0.02 2.00 -2.23 3.89 -0.02 -1.26 -4.95 135.00 132.46 1u4l n PRO 18 Ca -0.11 0.72 -0.33 0.00 -2.02 0.00 0.00 63.50 61.76 1u4l n PRO 18 Cb 0.56 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.61 1u4l n PRO 18 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1u4l s LEU 19 N 0.54 3.59 0.11 2.45 2.96 -1.26 -4.96 118.68 122.12 1u4l s LEU 19 Ca 0.75 1.77 -0.31 0.00 -0.22 0.00 0.00 54.13 56.12 1u4l s LEU 19 Cb -0.69 -4.53 -0.09 0.00 0.50 0.00 0.00 46.19 41.38 1u4l s LEU 19 CO 0.44 -0.95 1.51 -2.84 -1.32 0.00 0.00 176.35 173.19 1u4l s PRO 20 N -3.92 4.25 0.28 0.98 0.02 -1.26 -4.89 135.00 130.47 1u4l s PRO 20 Ca 0.63 2.22 -0.01 0.00 0.02 0.00 0.00 61.00 63.87 1u4l s PRO 20 Cb -0.14 -3.31 0.42 0.00 0.02 0.00 0.00 34.50 31.48 1u4l s PRO 20 CO 0.32 -0.57 1.82 -0.09 -0.33 0.00 0.00 177.00 178.16 1u4l h ARG 21 N 7.19 0.79 -0.28 5.54 9.65 -1.98 -3.15 114.38 132.14 1u4l h ARG 21 Ca -0.42 -0.17 0.08 0.00 -1.10 0.00 0.00 59.98 58.37 1u4l h ARG 21 Cb 1.20 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.66 1u4l h ARG 21 CO 0.90 0.73 0.26 0.00 2.80 0.00 0.00 179.97 184.66 1u4l h ALA 22 N 1.35 2.01 -0.38 2.80 0.00 -2.04 -2.75 119.26 120.24 1u4l h ALA 22 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1u4l h ALA 22 Cb 0.31 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1u4l h ALA 22 CO 0.00 -0.40 0.00 0.72 0.00 0.00 0.00 179.25 179.57 1u4l n HIS 23 N -3.95 1.20 -3.73 0.00 8.25 -1.19 -4.93 115.22 110.87 1u4l n HIS 23 Ca 0.04 -0.77 -0.36 0.00 -0.26 0.00 0.00 57.72 56.37 1u4l n HIS 23 Cb 0.41 -0.32 -0.09 0.00 1.12 0.00 0.00 29.99 31.11 1u4l n HIS 23 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1u4l s ILE 24 N -2.49 5.24 -0.08 1.59 1.01 -1.04 -0.75 121.20 124.67 1u4l s ILE 24 Ca 0.44 0.13 0.21 0.00 0.00 0.00 0.00 60.65 61.43 1u4l s ILE 24 Cb 0.33 -3.42 -0.30 0.00 0.01 0.00 0.00 42.46 39.08 1u4l s ILE 24 CO 0.13 0.38 0.41 2.29 0.00 0.00 0.00 174.94 178.15 1u4l n LYS 25 N 4.07 0.66 -3.90 2.79 2.85 -0.25 -4.90 118.16 119.48 1u4l n LYS 25 Ca -0.15 -0.13 -0.02 0.00 -1.05 0.00 0.00 58.31 56.95 1u4l n LYS 25 Cb 0.52 -1.54 0.02 0.00 -0.65 0.00 0.00 35.03 33.38 1u4l n LYS 25 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1u4l n GLU 26 N -2.41 0.58 -3.86 -1.58 0.00 -1.22 -5.05 120.64 107.11 1u4l n GLU 26 Ca -0.11 -1.38 -0.10 0.00 0.00 0.00 0.00 57.16 55.57 1u4l n GLU 26 Cb 0.72 1.91 -0.06 0.00 0.00 0.00 0.00 31.44 34.01 1u4l n GLU 26 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.13 178.65 1u4l s TYR 27 N -2.07 0.17 0.07 -1.84 1.13 -1.26 -1.21 117.35 112.34 1u4l s TYR 27 Ca 0.24 -0.53 -0.26 0.00 -1.41 0.00 0.00 57.07 55.11 1u4l s TYR 27 Cb -0.03 0.12 0.07 0.00 -1.10 0.00 0.00 41.96 41.03 1u4l s TYR 27 CO 0.05 -0.78 0.66 -0.59 -2.51 0.00 0.00 175.55 172.38 1u4l s PHE 28 N -3.92 -0.56 -0.04 -3.49 -0.12 -0.66 -4.98 117.98 104.22 1u4l s PHE 28 Ca 0.13 0.58 -0.15 0.00 -0.05 0.00 0.00 56.93 57.43 1u4l s PHE 28 Cb 0.02 0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 42.86 1u4l s PHE 28 CO -0.02 -0.73 0.42 0.71 -0.05 0.00 0.00 175.22 175.54 1u4l s TYR 29 N -2.81 3.66 0.65 3.49 2.02 -1.26 0.03 117.35 123.13 1u4l s TYR 29 Ca -0.02 0.94 -0.17 0.00 -0.37 0.00 0.00 57.07 57.45 1u4l s TYR 29 Cb -0.01 -2.36 -0.00 0.00 -0.40 0.00 0.00 41.96 39.19 1u4l s TYR 29 CO -0.05 0.50 1.18 0.95 -1.57 0.00 0.00 175.55 176.56 1u4l s THR 30 N -0.56 2.73 0.43 -0.71 -4.23 -0.74 -4.93 115.64 107.63 1u4l s THR 30 Ca 0.24 0.39 -0.24 0.00 -1.18 0.00 0.00 61.69 60.90 1u4l s THR 30 Cb -0.16 -3.01 -0.10 0.00 1.34 0.00 0.00 72.50 70.56 1u4l s THR 30 CO 0.12 -0.16 0.93 -0.24 -0.54 0.00 0.00 174.62 174.73 1u4l n SER 31 N -2.14 0.87 0.22 3.99 2.88 -1.26 -4.73 113.62 113.45 1u4l n SER 31 Ca 0.13 1.00 0.15 0.00 -1.33 0.00 0.00 58.87 58.82 1u4l n SER 31 Cb 0.50 -1.32 0.72 0.00 -0.75 0.00 0.00 64.21 63.37 1u4l n SER 31 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1u4l h GLY 32 N 1.34 0.00 1.99 0.46 0.00 -1.96 -1.18 103.07 103.71 1u4l h GLY 32 Ca -0.44 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 1u4l h GLY 32 CO 0.55 0.00 -0.29 0.50 0.00 0.00 0.00 176.54 177.31 1u4l h LYS 33 N 0.00 0.02 -7.02 4.80 1.57 -1.98 -3.43 116.57 110.52 1u4l h LYS 33 Ca 0.00 -0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.25 1u4l h LYS 33 Cb 0.23 -0.00 0.09 0.00 0.08 0.00 0.00 32.23 32.63 1u4l h LYS 33 CO 0.00 0.30 0.53 0.00 -0.57 0.00 0.00 179.45 179.71 1u4l h SER 35 N 1.79 0.62 -3.20 0.00 0.02 -1.87 -3.43 113.55 107.48 1u4l h SER 35 Ca -0.50 -0.22 -0.66 0.00 -0.84 0.00 0.00 61.79 59.57 1u4l h SER 35 Cb 1.27 -0.17 -0.14 0.00 0.14 0.00 0.00 62.40 63.50 1u4l h SER 35 CO 0.59 0.85 -0.59 0.20 -1.14 0.00 0.00 176.83 176.74 1u4l s ASN 36 N -6.79 5.46 0.45 3.07 0.01 -1.26 -5.09 114.94 110.79 1u4l s ASN 36 Ca -0.08 0.17 -0.22 0.00 -0.71 0.00 0.00 52.86 52.02 1u4l s ASN 36 Cb 0.13 -1.68 -0.09 0.00 0.41 0.00 0.00 41.25 40.02 1u4l s ASN 36 CO 0.81 0.33 1.05 -2.16 -1.51 0.00 0.00 177.10 175.62 1u4l s PRO 37 N -0.59 3.95 -0.06 -0.60 0.04 -1.26 -4.71 135.00 131.77 1u4l s PRO 37 Ca 0.10 1.44 -0.29 0.00 0.04 0.00 0.00 61.00 62.29 1u4l s PRO 37 Cb -0.12 -2.29 0.10 0.00 0.04 0.00 0.00 34.50 32.24 1u4l s PRO 37 CO 0.02 -0.32 0.87 0.00 0.04 0.00 0.00 177.00 177.61 1u4l s ALA 38 N -1.83 -1.84 -0.10 8.56 0.00 -1.26 -4.76 121.76 120.52 1u4l s ALA 38 Ca 0.63 1.25 -0.01 0.00 0.00 0.00 0.00 51.96 53.83 1u4l s ALA 38 Cb -0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 1u4l s ALA 38 CO 0.24 -0.49 -0.06 0.08 0.00 0.00 0.00 175.76 175.52 1u4l s VAL 39 N -2.05 3.75 -0.22 0.00 1.01 -0.76 -1.79 120.40 120.33 1u4l s VAL 39 Ca -0.01 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 1u4l s VAL 39 Cb -0.01 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 1u4l s VAL 39 CO -0.02 0.56 -0.04 -0.69 0.00 0.00 0.00 175.10 174.91 1u4l s VAL 40 N -0.33 3.41 -0.25 2.92 1.01 0.10 -0.57 120.40 126.70 1u4l s VAL 40 Ca 0.05 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 1u4l s VAL 40 Cb -0.12 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 1u4l s VAL 40 CO 0.02 0.42 0.19 -0.36 0.00 0.00 0.00 175.10 175.37 1u4l s PHE 41 N 1.48 3.30 -0.26 5.22 0.08 0.22 -1.65 117.98 126.38 1u4l s PHE 41 Ca 0.06 0.24 -0.12 0.00 0.12 0.00 0.00 56.93 57.23 1u4l s PHE 41 Cb -0.14 -2.32 -0.05 0.00 -0.57 0.00 0.00 43.02 39.94 1u4l s PHE 41 CO -0.03 0.01 0.22 0.08 -0.10 0.00 0.00 175.22 175.39 1u4l s VAL 42 N 1.25 5.31 0.57 -0.44 1.01 -0.35 -1.10 120.40 126.65 1u4l s VAL 42 Ca 0.08 0.26 -0.05 0.00 0.00 0.00 0.00 61.98 62.28 1u4l s VAL 42 Cb -0.14 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.70 1u4l s VAL 42 CO 0.06 0.28 0.86 0.42 0.00 0.00 0.00 175.10 176.72 1u4l s THR 43 N 1.47 3.60 0.64 3.92 -4.23 -0.49 -1.09 115.64 119.45 1u4l s THR 43 Ca 0.09 -0.13 0.37 0.00 -1.18 0.00 0.00 61.69 60.85 1u4l s THR 43 Cb -0.15 -3.41 0.40 0.00 1.34 0.00 0.00 72.50 70.67 1u4l s THR 43 CO 0.08 -0.40 2.25 0.03 -0.54 0.00 0.00 174.62 176.04 1u4l h ARG 44 N -0.09 0.00 -0.67 3.99 2.47 -1.29 0.56 114.38 119.36 1u4l h ARG 44 Ca -0.45 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 1u4l h ARG 44 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 1u4l h ARG 44 CO 0.60 0.00 0.00 1.63 0.56 0.00 0.00 179.97 182.76 1u4l n LYS 45 N -3.32 3.64 -2.42 0.04 5.02 -1.26 -4.91 118.16 114.95 1u4l n LYS 45 Ca -0.02 -2.28 -0.21 0.00 -2.02 0.00 0.00 58.31 53.78 1u4l n LYS 45 Cb 0.15 -1.97 -0.01 0.00 -0.02 0.00 0.00 35.03 33.19 1u4l n LYS 45 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1u4l n ASN 46 N 0.57 -5.95 -4.75 4.39 3.02 0.20 -4.98 115.26 107.76 1u4l n ASN 46 Ca 0.20 -0.03 -0.40 0.00 -0.03 0.00 0.00 54.58 54.32 1u4l n ASN 46 Cb 0.88 -4.95 -0.05 0.00 -0.61 0.00 0.00 39.78 35.05 1u4l n ASN 46 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1u4l s ARG 47 N -5.07 4.71 -0.54 3.52 1.81 -1.25 -4.81 118.95 117.33 1u4l s ARG 47 Ca 0.01 1.37 -0.10 0.00 -1.72 0.00 0.00 55.73 55.30 1u4l s ARG 47 Cb -0.00 -3.32 0.14 0.00 -0.45 0.00 0.00 34.95 31.31 1u4l s ARG 47 CO 0.01 0.38 0.42 -0.65 -0.68 0.00 0.00 175.30 174.78 1u4l s GLN 48 N -0.59 2.66 -0.18 3.54 -0.21 -1.26 -1.40 119.66 122.22 1u4l s GLN 48 Ca 0.42 -1.94 -0.15 0.00 0.02 0.00 0.00 55.36 53.72 1u4l s GLN 48 Cb -0.24 -3.99 -0.04 0.00 1.00 0.00 0.00 33.01 29.74 1u4l s GLN 48 CO 0.29 -1.22 0.33 0.08 -2.12 0.00 0.00 175.29 172.66 1u4l s VAL 49 N 1.07 5.26 0.08 1.09 1.01 -0.26 -4.91 120.40 123.75 1u4l s VAL 49 Ca 0.08 0.60 -0.27 0.00 0.00 0.00 0.00 61.98 62.39 1u4l s VAL 49 Cb -0.24 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.41 1u4l s VAL 49 CO -0.02 0.33 0.86 0.00 0.00 0.00 0.00 175.10 176.27 1u4l s ALA 51 N -0.05 0.25 -0.30 0.00 0.00 0.26 -0.88 121.76 121.04 1u4l s ALA 51 Ca 0.43 -0.64 -0.29 0.00 0.00 0.00 0.00 51.96 51.45 1u4l s ALA 51 Cb -0.22 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.02 1u4l s ALA 51 CO 0.26 -0.12 1.30 1.21 0.00 0.00 0.00 175.76 178.42 1u4l s ASN 52 N -1.50 6.67 0.60 0.00 3.84 -1.26 -1.83 114.94 121.45 1u4l s ASN 52 Ca -0.14 1.20 0.29 0.00 0.21 0.00 0.00 52.86 54.42 1u4l s ASN 52 Cb -0.10 -2.54 1.52 0.00 -0.55 0.00 0.00 41.25 39.58 1u4l s ASN 52 CO -0.01 -1.09 1.93 -0.65 -2.79 0.00 0.00 177.10 174.49 1u4l h PRO 53 N 9.32 0.00 0.00 0.43 0.11 -1.92 -0.98 132.00 138.96 1u4l h PRO 53 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1u4l h PRO 53 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1u4l h PRO 53 CO 1.03 0.00 -0.14 0.39 -0.21 0.00 0.00 178.00 179.08 1u4l n GLU 54 N -3.62 0.15 -2.37 1.05 4.71 -1.26 -4.57 120.64 114.73 1u4l n GLU 54 Ca 0.06 0.10 -0.40 0.00 -0.01 0.00 0.00 57.16 56.91 1u4l n GLU 54 Cb 0.58 -1.66 -0.03 0.00 -1.01 0.00 0.00 31.44 29.32 1u4l n GLU 54 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 1u4l s LYS 55 N -3.07 4.47 0.10 3.49 -2.85 -0.37 -4.96 119.74 116.55 1u4l s LYS 55 Ca 0.11 1.89 -0.25 0.00 -1.00 0.00 0.00 55.97 56.72 1u4l s LYS 55 Cb 0.15 -3.06 -0.11 0.00 -2.06 0.00 0.00 37.83 32.75 1u4l s LYS 55 CO 0.60 0.03 1.69 0.87 0.10 0.00 0.00 175.35 178.65 1u4l h LYS 56 N 3.49 -0.23 -0.51 1.78 1.57 -1.89 -2.20 116.57 118.58 1u4l h LYS 56 Ca -0.48 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.39 1u4l h LYS 56 Cb 1.22 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.55 1u4l h LYS 56 CO 0.66 -0.15 0.34 0.11 -0.57 0.00 0.00 179.45 179.83 1u4l h TRP 57 N -0.24 0.43 -0.22 -1.35 5.08 -1.96 -0.82 115.95 116.87 1u4l h TRP 57 Ca 0.02 0.01 -0.03 0.00 1.08 0.00 0.00 58.89 59.96 1u4l h TRP 57 Cb 0.25 -0.14 -0.01 0.00 -3.00 0.00 0.00 29.16 26.26 1u4l h TRP 57 CO -0.14 0.23 0.02 0.28 -1.28 0.00 0.00 178.44 177.55 1u4l h VAL 58 N 0.43 1.24 -0.66 0.12 2.07 -1.75 0.19 116.25 117.89 1u4l h VAL 58 Ca 0.22 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 1u4l h VAL 58 Cb 0.34 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1u4l h VAL 58 CO -0.06 0.26 0.25 0.03 0.02 0.00 0.00 177.57 178.07 1u4l h ARG 59 N 0.17 0.98 -0.37 1.57 3.08 -0.76 -1.04 114.38 118.00 1u4l h ARG 59 Ca 0.07 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 1u4l h ARG 59 Cb 0.36 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1u4l h ARG 59 CO 0.01 0.81 -0.08 0.93 -1.07 0.00 0.00 179.97 180.57 1u4l h GLU 60 N 0.96 0.71 -0.61 0.04 5.08 -0.97 -1.06 114.58 118.73 1u4l h GLU 60 Ca 0.22 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1u4l h GLU 60 Cb 0.21 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1u4l h GLU 60 CO -0.02 0.85 0.29 1.88 -1.00 0.00 0.00 179.01 181.02 1u4l h TYR 61 N 0.51 0.87 -0.67 4.33 -1.99 -0.68 -1.35 116.97 118.00 1u4l h TYR 61 Ca 0.10 -0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 1u4l h TYR 61 Cb 0.58 -0.27 -0.03 0.00 2.00 0.00 0.00 36.73 39.01 1u4l h TYR 61 CO 0.05 0.66 0.40 0.82 -0.00 0.00 0.00 178.16 180.09 1u4l h ILE 62 N 0.83 1.20 -0.44 -2.88 2.04 -1.05 -1.12 117.51 116.09 1u4l h ILE 62 Ca 0.21 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.63 1u4l h ILE 62 Cb 0.11 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 1u4l h ILE 62 CO -0.03 0.21 0.25 0.78 0.00 0.00 0.00 178.15 179.36 1u4l h ASN 63 N 0.92 0.39 -0.22 1.72 -0.26 -0.72 0.00 115.58 117.41 1u4l h ASN 63 Ca 0.24 0.01 -0.06 0.00 -0.56 0.00 0.00 56.30 55.93 1u4l h ASN 63 Cb -0.01 -0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.16 1u4l h ASN 63 CO -0.04 0.28 -0.04 0.77 -1.06 0.00 0.00 177.43 177.34 1u4l h SER 64 N 0.50 0.53 1.30 5.81 4.64 -0.84 -1.63 113.55 123.85 1u4l h SER 64 Ca 0.18 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1u4l h SER 64 Cb 0.03 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1u4l h SER 64 CO -0.09 0.63 -0.13 -0.07 -0.87 0.00 0.00 176.83 176.29 1u4l h LEU 65 N 0.53 0.00 0.00 5.97 3.38 -0.60 -3.08 115.31 121.51 1u4l h LEU 65 Ca 0.11 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 1u4l h LEU 65 Cb 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1u4l h LEU 65 CO 0.02 0.13 -0.74 -0.33 0.09 0.00 0.00 178.44 177.61 1u4l h GLU 66 N 0.00 0.00 0.00 1.13 4.39 -0.11 -3.25 114.58 116.73 1u4l h GLU 66 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1u4l h GLU 66 Cb 0.82 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1u4l h GLU 66 CO 0.02 0.44 -0.19 0.52 -1.16 0.00 0.00 179.01 178.64 1u4l h MET 67 N 0.00 0.00 0.00 2.33 2.86 -1.28 -3.51 114.93 115.33 1u4l h MET 67 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1u4l h MET 67 Cb 1.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.09 1u4l h MET 67 CO 0.06 0.00 0.00 0.43 1.06 0.00 0.00 176.91 178.46