#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u4l s TYR 3 N 0.00 -0.26 0.39 6.00 5.04 -1.26 -5.14 117.35 122.12 1u4l s TYR 3 Ca 0.00 0.09 -0.27 0.00 -2.44 0.00 0.00 57.07 54.45 1u4l s TYR 3 Cb 0.00 0.56 -0.11 0.00 0.35 0.00 0.00 41.96 42.76 1u4l s TYR 3 CO 0.00 -0.57 1.35 0.45 -1.34 0.00 0.00 175.55 175.44 1u4l n SER 4 N -0.30 3.03 -1.18 4.32 2.88 -1.26 -4.88 113.62 116.23 1u4l n SER 4 Ca -0.07 1.17 0.11 0.00 -1.33 0.00 0.00 58.87 58.74 1u4l n SER 4 Cb 0.61 -1.54 0.28 0.00 -0.75 0.00 0.00 64.21 62.82 1u4l n SER 4 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1u4l n SER 5 N 0.39 3.44 -4.91 -3.46 3.41 -1.26 -4.89 113.62 106.34 1u4l n SER 5 Ca 0.04 -1.99 -0.27 0.00 -0.26 0.00 0.00 58.87 56.39 1u4l n SER 5 Cb 0.39 -0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 63.90 1u4l n SER 5 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1u4l s ASP 6 N -1.04 6.38 0.69 4.04 1.11 -1.26 -5.04 116.67 121.55 1u4l s ASP 6 Ca 0.43 0.74 -0.16 0.00 0.18 0.00 0.00 52.55 53.74 1u4l s ASP 6 Cb 0.23 -2.16 0.01 0.00 1.07 0.00 0.00 42.92 42.07 1u4l s ASP 6 CO 0.30 -0.32 1.23 0.42 1.18 0.00 0.00 175.17 177.98 1u4l s THR 7 N -2.30 2.28 -0.03 -1.27 -4.23 -1.26 -5.03 115.64 103.79 1u4l s THR 7 Ca 0.44 0.15 0.03 0.00 -1.18 0.00 0.00 61.69 61.14 1u4l s THR 7 Cb -0.10 -2.86 -0.00 0.00 1.34 0.00 0.00 72.50 70.88 1u4l s THR 7 CO 0.34 -0.06 -0.13 -0.89 -0.54 0.00 0.00 174.62 173.34 1u4l s THR 8 N -1.77 1.13 0.17 3.99 2.01 -1.26 -5.13 115.64 114.79 1u4l s THR 8 Ca 0.77 -0.55 -0.30 0.00 0.31 0.00 0.00 61.69 61.92 1u4l s THR 8 Cb -0.32 -0.99 -0.07 0.00 0.01 0.00 0.00 72.50 71.13 1u4l s THR 8 CO 0.42 0.34 1.07 -2.16 -0.69 0.00 0.00 174.62 173.59 1u4l s PRO 9 N 0.11 4.63 0.13 4.92 0.04 -1.26 -5.05 135.00 138.52 1u4l s PRO 9 Ca -0.03 1.66 0.04 0.00 0.04 0.00 0.00 61.00 62.70 1u4l s PRO 9 Cb -0.10 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 1u4l s PRO 9 CO 0.01 0.13 -0.09 0.00 0.04 0.00 0.00 177.00 177.09 1u4l n PHE 12 N 2.66 0.00 -3.63 0.00 3.72 -1.26 -4.57 117.46 114.38 1u4l n PHE 12 Ca -0.18 -0.26 -0.16 0.00 -0.05 0.00 0.00 57.45 56.81 1u4l n PHE 12 Cb 0.52 -0.03 -0.07 0.00 -0.94 0.00 0.00 39.48 38.97 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 -0.52 -1.35 -0.02 4.37 0.00 -1.26 -5.17 121.76 117.81 1u4l s ALA 13 Ca 0.00 0.93 0.06 0.00 0.00 0.00 0.00 51.96 52.95 1u4l s ALA 13 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 1u4l s ALA 13 CO 0.00 -0.32 -0.20 0.71 0.00 0.00 0.00 175.76 175.95 1u4l s TYR 14 N -1.17 2.53 0.25 0.00 2.02 -1.26 -4.63 117.35 115.09 1u4l s TYR 14 Ca -0.11 -0.29 -0.31 0.00 -0.37 0.00 0.00 57.07 55.99 1u4l s TYR 14 Cb -0.02 -1.55 -0.11 0.00 -0.40 0.00 0.00 41.96 39.88 1u4l s TYR 14 CO 0.07 0.11 1.63 -1.50 -1.57 0.00 0.00 175.55 174.29 1u4l s ILE 15 N -0.72 2.14 0.23 2.71 2.07 -0.30 -4.89 121.20 122.44 1u4l s ILE 15 Ca 0.11 0.11 -0.06 0.00 -1.41 0.00 0.00 60.65 59.40 1u4l s ILE 15 Cb -0.10 -3.07 0.16 0.00 0.13 0.00 0.00 42.46 39.58 1u4l s ILE 15 CO 0.01 0.01 1.79 0.00 -1.91 0.00 0.00 174.94 174.85 1u4l h ALA 16 N 5.70 1.10 -2.19 1.50 0.00 -1.98 -3.46 119.26 119.93 1u4l h ALA 16 Ca -0.45 -0.20 -0.44 0.00 0.00 0.00 0.00 54.91 53.82 1u4l h ALA 16 Cb 1.21 -0.29 -0.14 0.00 0.00 0.00 0.00 17.79 18.57 1u4l h ALA 16 CO 0.86 0.64 -0.72 -0.98 0.00 0.00 0.00 179.25 179.05 1u4l s ARG 17 N -5.47 1.35 0.23 0.00 1.04 -1.26 -5.12 118.95 109.73 1u4l s ARG 17 Ca -0.12 -1.62 -0.32 0.00 -1.04 0.00 0.00 55.73 52.63 1u4l s ARG 17 Cb 0.16 -1.05 -0.13 0.00 -2.04 0.00 0.00 34.95 31.88 1u4l s ARG 17 CO 0.83 0.13 1.56 -2.30 -0.04 0.00 0.00 175.30 175.48 1u4l n PRO 18 N -0.41 2.38 -1.96 3.89 -0.02 -1.26 -5.00 135.00 132.63 1u4l n PRO 18 Ca -0.07 0.85 -0.32 0.00 -2.02 0.00 0.00 63.50 61.94 1u4l n PRO 18 Cb 0.61 -2.61 0.01 0.00 -0.02 0.00 0.00 33.50 31.49 1u4l n PRO 18 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1u4l s LEU 19 N 0.37 3.37 0.04 2.45 1.43 -1.26 -4.94 118.68 120.14 1u4l s LEU 19 Ca 0.71 1.63 -0.30 0.00 -1.03 0.00 0.00 54.13 55.14 1u4l s LEU 19 Cb -0.59 -4.51 -0.08 0.00 0.03 0.00 0.00 46.19 41.04 1u4l s LEU 19 CO 0.43 -1.06 1.74 -2.84 0.23 0.00 0.00 176.35 174.85 1u4l s PRO 20 N -4.55 4.17 0.26 1.29 0.02 -1.26 -4.87 135.00 130.06 1u4l s PRO 20 Ca 0.59 2.39 -0.02 0.00 0.02 0.00 0.00 61.00 63.99 1u4l s PRO 20 Cb -0.13 -3.79 0.51 0.00 0.02 0.00 0.00 34.50 31.11 1u4l s PRO 20 CO 0.44 -0.82 1.75 -0.09 -0.33 0.00 0.00 177.00 177.95 1u4l h ARG 21 N 9.07 0.55 0.00 5.54 9.65 -1.97 -1.54 114.38 135.68 1u4l h ARG 21 Ca -0.44 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 1u4l h ARG 21 Cb 1.21 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 1u4l h ARG 21 CO 0.94 0.36 0.00 0.00 2.80 0.00 0.00 179.97 184.07 1u4l h ALA 22 N 1.56 1.00 -0.04 2.80 0.00 -2.04 -2.03 119.26 120.50 1u4l h ALA 22 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1u4l h ALA 22 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1u4l h ALA 22 CO -0.38 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.59 1u4l n HIS 23 N -2.43 0.03 -4.12 0.00 8.25 -0.58 -4.86 115.22 111.52 1u4l n HIS 23 Ca 0.00 -0.02 -0.35 0.00 -0.26 0.00 0.00 57.72 57.10 1u4l n HIS 23 Cb 0.14 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.14 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 -1.97 4.30 -0.06 1.59 1.01 -0.77 -0.65 121.20 124.65 1u4l s ILE 24 Ca 0.37 -0.20 0.07 0.00 0.00 0.00 0.00 60.65 60.89 1u4l s ILE 24 Cb 0.20 -2.93 -0.11 0.00 0.01 0.00 0.00 42.46 39.64 1u4l s ILE 24 CO 0.32 0.45 0.07 2.29 0.00 0.00 0.00 174.94 178.07 1u4l n LYS 25 N 3.83 2.02 -4.08 2.79 2.85 -0.33 -4.91 118.16 120.34 1u4l n LYS 25 Ca -0.17 -0.02 -0.11 0.00 -1.05 0.00 0.00 58.31 56.96 1u4l n LYS 25 Cb 0.52 -1.20 -0.06 0.00 -0.65 0.00 0.00 35.03 33.64 1u4l n LYS 25 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1u4l s GLU 26 N -2.30 1.53 0.16 -1.58 2.02 -1.10 -5.01 118.70 112.41 1u4l s GLU 26 Ca -0.04 -1.47 -0.19 0.00 0.02 0.00 0.00 54.97 53.29 1u4l s GLU 26 Cb 0.03 0.41 0.05 0.00 0.10 0.00 0.00 34.13 34.71 1u4l s GLU 26 CO 0.33 -0.60 0.50 1.52 0.02 0.00 0.00 175.26 177.03 1u4l s TYR 27 N -3.85 -0.30 -0.15 1.61 1.13 -1.26 -0.47 117.35 114.04 1u4l s TYR 27 Ca 0.29 0.02 -0.29 0.00 -1.41 0.00 0.00 57.07 55.68 1u4l s TYR 27 Cb 0.02 0.40 0.09 0.00 -1.10 0.00 0.00 41.96 41.37 1u4l s TYR 27 CO 0.12 -0.81 0.80 -0.59 -2.51 0.00 0.00 175.55 172.56 1u4l s PHE 28 N -3.80 -0.60 0.12 -3.49 -0.12 -0.86 -4.98 117.98 104.25 1u4l s PHE 28 Ca 0.04 1.21 -0.22 0.00 -0.05 0.00 0.00 56.93 57.91 1u4l s PHE 28 Cb 0.00 0.38 -0.07 0.00 -0.63 0.00 0.00 43.02 42.70 1u4l s PHE 28 CO -0.10 -0.45 0.67 0.71 -0.05 0.00 0.00 175.22 176.00 1u4l s TYR 29 N -0.63 3.84 0.68 3.49 1.51 -1.26 -0.82 117.35 124.16 1u4l s TYR 29 Ca -0.05 1.44 -0.13 0.00 -1.01 0.00 0.00 57.07 57.32 1u4l s TYR 29 Cb -0.02 -2.62 0.01 0.00 -0.11 0.00 0.00 41.96 39.22 1u4l s TYR 29 CO 0.04 0.54 1.08 0.95 -1.11 0.00 0.00 175.55 177.05 1u4l s THR 30 N -1.16 3.61 0.45 -0.71 -4.23 -0.80 -4.95 115.64 107.86 1u4l s THR 30 Ca 0.33 0.63 -0.22 0.00 -1.18 0.00 0.00 61.69 61.24 1u4l s THR 30 Cb -0.21 -3.20 -0.10 0.00 1.34 0.00 0.00 72.50 70.33 1u4l s THR 30 CO 0.22 -0.58 0.83 -0.24 -0.54 0.00 0.00 174.62 174.31 1u4l n SER 31 N -2.82 0.38 0.07 3.99 2.88 -1.26 -4.74 113.62 112.12 1u4l n SER 31 Ca 0.09 0.95 0.08 0.00 -1.33 0.00 0.00 58.87 58.66 1u4l n SER 31 Cb 0.53 -1.27 0.37 0.00 -0.75 0.00 0.00 64.21 63.09 1u4l n SER 31 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u4l n GLY 32 N 1.42 -0.99 0.20 0.46 0.00 -1.26 -1.71 105.19 103.31 1u4l n GLY 32 Ca 0.11 0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.23 1u4l n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u4l h LYS 33 N 0.00 0.00 -7.15 1.61 1.79 -1.97 -3.45 116.57 107.40 1u4l h LYS 33 Ca 0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.95 1u4l h LYS 33 Cb 0.21 0.00 0.12 0.00 -1.58 0.00 0.00 32.23 30.98 1u4l h LYS 33 CO 0.00 0.34 0.42 0.00 -1.08 0.00 0.00 179.45 179.13 1u4l h SER 35 N 0.28 0.27 -4.20 0.00 4.64 -1.89 -3.43 113.55 109.22 1u4l h SER 35 Ca -0.49 -0.09 -0.69 0.00 -0.47 0.00 0.00 61.79 60.06 1u4l h SER 35 Cb 1.28 -0.07 -0.25 0.00 -0.31 0.00 0.00 62.40 63.05 1u4l h SER 35 CO 0.53 0.55 -0.82 0.20 -0.87 0.00 0.00 176.83 176.42 1u4l s ASN 36 N -6.87 3.65 0.50 4.97 0.01 -1.26 -5.11 114.94 110.83 1u4l s ASN 36 Ca -0.05 -0.35 -0.19 0.00 -0.71 0.00 0.00 52.86 51.56 1u4l s ASN 36 Cb 0.14 -0.62 -0.08 0.00 0.41 0.00 0.00 41.25 41.10 1u4l s ASN 36 CO 0.76 0.31 1.01 -2.16 -1.51 0.00 0.00 177.10 175.51 1u4l s PRO 37 N -0.88 3.85 -0.08 -0.60 0.04 -1.26 -4.74 135.00 131.32 1u4l s PRO 37 Ca 0.12 1.20 -0.30 0.00 0.04 0.00 0.00 61.00 62.06 1u4l s PRO 37 Cb -0.10 -2.11 0.11 0.00 0.04 0.00 0.00 34.50 32.44 1u4l s PRO 37 CO 0.01 -0.37 0.94 0.00 0.04 0.00 0.00 177.00 177.63 1u4l s ALA 38 N -2.23 -1.88 -0.12 8.56 0.00 -1.26 -4.74 121.76 120.09 1u4l s ALA 38 Ca 0.64 1.30 0.02 0.00 0.00 0.00 0.00 51.96 53.91 1u4l s ALA 38 Cb -0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 1u4l s ALA 38 CO 0.23 -0.51 -0.17 0.08 0.00 0.00 0.00 175.76 175.39 1u4l s VAL 39 N -2.16 2.67 -0.27 0.00 1.01 -0.15 -1.90 120.40 119.61 1u4l s VAL 39 Ca 0.02 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 1u4l s VAL 39 Cb -0.01 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.30 1u4l s VAL 39 CO -0.04 0.54 -0.00 -0.69 0.00 0.00 0.00 175.10 174.91 1u4l s VAL 40 N 0.31 3.35 -0.03 2.92 1.01 0.00 0.53 120.40 128.48 1u4l s VAL 40 Ca -0.13 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 60.81 1u4l s VAL 40 Cb -0.16 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 1u4l s VAL 40 CO 0.07 0.16 0.49 -0.36 0.00 0.00 0.00 175.10 175.45 1u4l s PHE 41 N 1.40 3.66 -0.28 5.22 0.08 -0.02 -2.02 117.98 126.02 1u4l s PHE 41 Ca 0.01 1.03 -0.09 0.00 0.12 0.00 0.00 56.93 58.00 1u4l s PHE 41 Cb -0.17 -2.46 -0.03 0.00 -0.57 0.00 0.00 43.02 39.79 1u4l s PHE 41 CO -0.02 0.43 0.14 0.08 -0.10 0.00 0.00 175.22 175.75 1u4l s VAL 42 N -0.36 4.76 0.83 -0.44 1.01 0.38 -1.08 120.40 125.49 1u4l s VAL 42 Ca 0.26 -0.11 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 1u4l s VAL 42 Cb -0.17 -3.30 0.11 0.00 0.00 0.00 0.00 36.38 33.03 1u4l s VAL 42 CO 0.14 0.23 1.19 0.42 0.00 0.00 0.00 175.10 177.08 1u4l s THR 43 N 1.67 2.04 -0.78 3.92 -4.23 -0.18 -1.19 115.64 116.89 1u4l s THR 43 Ca 0.06 -0.06 0.22 0.00 -1.18 0.00 0.00 61.69 60.74 1u4l s THR 43 Cb -0.16 -2.99 0.21 0.00 1.34 0.00 0.00 72.50 70.91 1u4l s THR 43 CO 0.07 0.00 1.68 0.54 -0.54 0.00 0.00 174.62 176.37 1u4l n ARG 44 N -3.37 0.11 -0.23 3.99 1.74 0.17 -0.92 116.66 118.15 1u4l n ARG 44 Ca 0.10 0.26 0.10 0.00 -0.77 0.00 0.00 57.85 57.54 1u4l n ARG 44 Cb 0.60 -1.67 0.26 0.00 -1.02 0.00 0.00 32.46 30.63 1u4l n ARG 44 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1u4l n LYS 45 N -1.87 2.26 -2.06 5.56 5.02 -1.26 -4.93 118.16 120.88 1u4l n LYS 45 Ca 0.04 -1.94 -0.11 0.00 -2.02 0.00 0.00 58.31 54.27 1u4l n LYS 45 Cb 0.26 -1.45 -0.01 0.00 -0.02 0.00 0.00 35.03 33.81 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 1.10 -3.83 -4.89 4.39 3.02 -0.09 -5.03 115.26 109.92 1u4l n ASN 46 Ca 0.19 0.04 -0.29 0.00 -0.03 0.00 0.00 54.58 54.49 1u4l n ASN 46 Cb 0.48 -2.93 -0.02 0.00 -0.61 0.00 0.00 39.78 36.71 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 -4.29 3.64 -0.19 3.52 0.52 -1.26 -4.80 118.95 116.10 1u4l s ARG 47 Ca 0.00 0.27 0.01 0.00 -0.52 0.00 0.00 55.73 55.49 1u4l s ARG 47 Cb 0.00 -2.42 0.03 0.00 0.52 0.00 0.00 34.95 33.08 1u4l s ARG 47 CO 0.00 -0.08 -0.18 -0.65 0.02 0.00 0.00 175.30 174.40 1u4l s GLN 48 N -4.25 2.84 -0.13 3.54 -0.21 -1.26 -1.01 119.66 119.18 1u4l s GLN 48 Ca 0.48 -0.88 0.00 0.00 0.02 0.00 0.00 55.36 54.99 1u4l s GLN 48 Cb -0.10 -2.58 -0.01 0.00 1.00 0.00 0.00 33.01 31.32 1u4l s GLN 48 CO 0.38 -0.26 -0.15 0.08 -2.12 0.00 0.00 175.29 173.22 1u4l s VAL 49 N 1.28 2.85 0.19 1.09 1.01 -0.24 -4.93 120.40 121.64 1u4l s VAL 49 Ca 0.03 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 1u4l s VAL 49 Cb -0.14 -2.19 -0.08 0.00 0.00 0.00 0.00 36.38 33.97 1u4l s VAL 49 CO -0.12 0.52 0.97 0.00 0.00 0.00 0.00 175.10 176.48 1u4l s ALA 51 N -0.66 0.24 -0.29 0.00 0.00 0.19 -1.15 121.76 120.09 1u4l s ALA 51 Ca 0.44 -0.82 -0.23 0.00 0.00 0.00 0.00 51.96 51.35 1u4l s ALA 51 Cb -0.26 0.21 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 1u4l s ALA 51 CO 0.32 -0.27 0.78 1.21 0.00 0.00 0.00 175.76 177.80 1u4l s ASN 52 N -2.12 6.68 0.67 0.00 3.84 -1.26 -0.98 114.94 121.77 1u4l s ASN 52 Ca -0.06 0.73 0.45 0.00 0.21 0.00 0.00 52.86 54.19 1u4l s ASN 52 Cb -0.02 -2.40 2.43 0.00 -0.55 0.00 0.00 41.25 40.70 1u4l s ASN 52 CO -0.05 -0.57 2.37 -0.65 -2.79 0.00 0.00 177.10 175.42 1u4l h PRO 53 N 8.01 0.00 0.00 0.43 0.11 -1.91 -1.54 132.00 137.11 1u4l h PRO 53 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 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 0.87 0.00 -0.21 0.93 -0.21 0.00 0.00 178.00 179.38 1u4l h GLU 54 N 0.00 0.00 -6.81 1.05 3.07 -1.97 -3.42 114.58 106.50 1u4l h GLU 54 Ca -0.00 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.35 1u4l h GLU 54 Cb 0.00 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 27.95 1u4l h GLU 54 CO 0.00 0.00 0.53 0.15 -1.40 0.00 0.00 179.01 178.29 1u4l s LYS 55 N -3.14 4.54 0.12 2.33 -0.14 -0.58 -4.96 119.74 117.92 1u4l s LYS 55 Ca 0.09 1.93 -0.20 0.00 -1.36 0.00 0.00 55.97 56.43 1u4l s LYS 55 Cb 0.12 -3.16 -0.06 0.00 -1.68 0.00 0.00 37.83 33.04 1u4l s LYS 55 CO 0.65 0.07 1.76 -0.22 -0.76 0.00 0.00 175.35 176.84 1u4l h LYS 56 N 3.83 0.19 -0.03 1.68 3.64 -1.88 -2.48 116.57 121.52 1u4l h LYS 56 Ca -0.47 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 1u4l h LYS 56 Cb 1.22 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1u4l h LYS 56 CO 0.67 0.12 -0.09 0.11 -2.27 0.00 0.00 179.45 177.99 1u4l h TRP 57 N 0.19 0.04 -0.24 1.91 5.08 -1.94 -1.48 115.95 119.51 1u4l h TRP 57 Ca 0.07 -0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.99 1u4l h TRP 57 Cb 0.01 -0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 26.15 1u4l h TRP 57 CO -0.09 0.14 -0.03 0.28 -1.28 0.00 0.00 178.44 177.46 1u4l h VAL 58 N 0.04 1.27 -0.49 0.12 2.07 -1.73 -0.57 116.25 116.95 1u4l h VAL 58 Ca 0.01 -0.99 -0.07 0.00 0.82 0.00 0.00 66.70 66.47 1u4l h VAL 58 Cb 0.20 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1u4l h VAL 58 CO 0.01 0.31 0.00 0.03 0.02 0.00 0.00 177.57 177.94 1u4l h ARG 59 N 0.20 0.82 -0.35 1.57 -0.00 -1.05 -2.10 114.38 113.47 1u4l h ARG 59 Ca 0.06 -0.22 -0.08 0.00 -0.50 0.00 0.00 59.98 59.24 1u4l h ARG 59 Cb 0.47 -0.09 -0.01 0.00 0.00 0.00 0.00 29.97 30.34 1u4l h ARG 59 CO 0.02 0.82 -0.11 0.93 0.00 0.00 0.00 179.97 181.63 1u4l h GLU 60 N 0.76 0.69 -0.96 0.04 5.08 -1.15 -1.30 114.58 117.74 1u4l h GLU 60 Ca 0.15 -0.28 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1u4l h GLU 60 Cb 0.46 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1u4l h GLU 60 CO 0.02 0.87 0.63 1.88 -1.00 0.00 0.00 179.01 181.41 1u4l h TYR 61 N 0.47 1.19 -0.21 4.33 -1.99 -0.92 -0.24 116.97 119.60 1u4l h TYR 61 Ca 0.08 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.83 1u4l h TYR 61 Cb 0.63 -0.40 -0.01 0.00 2.00 0.00 0.00 36.73 38.95 1u4l h TYR 61 CO 0.05 0.70 0.07 0.82 -0.00 0.00 0.00 178.16 179.80 1u4l h ILE 62 N 1.24 1.19 -0.71 -2.88 2.04 -1.17 0.83 117.51 118.05 1u4l h ILE 62 Ca 0.38 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.68 1u4l h ILE 62 Cb -0.04 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1u4l h ILE 62 CO -0.11 0.19 0.47 0.78 0.00 0.00 0.00 178.15 179.47 1u4l h ASN 63 N 0.17 0.74 -0.13 1.72 2.35 -0.69 -0.98 115.58 118.76 1u4l h ASN 63 Ca 0.07 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 1u4l h ASN 63 Cb 0.22 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 1u4l h ASN 63 CO -0.00 0.51 -0.14 -1.28 -1.65 0.00 0.00 177.43 174.87 1u4l h SER 64 N 0.86 0.34 -0.27 5.81 0.87 -0.66 -3.13 113.55 117.38 1u4l h SER 64 Ca 0.28 -0.49 0.01 0.00 -1.23 0.00 0.00 61.79 60.36 1u4l h SER 64 Cb 0.05 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 1u4l h SER 64 CO -0.08 0.76 0.18 -0.07 -0.53 0.00 0.00 176.83 177.09 1u4l h LEU 65 N -0.07 0.30 -0.00 2.23 3.38 -0.30 -0.64 115.31 120.20 1u4l h LEU 65 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1u4l h LEU 65 Cb 0.67 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1u4l h LEU 65 CO 0.03 0.22 0.00 -0.62 0.09 0.00 0.00 178.44 178.16 1u4l n GLU 66 N -4.50 0.00 -0.08 1.13 -0.58 -0.42 -3.34 120.64 112.85 1u4l n GLU 66 Ca 0.01 0.17 -0.23 0.00 -0.42 0.00 0.00 57.16 56.69 1u4l n GLU 66 Cb 0.08 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.33 1u4l n GLU 66 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1u4l n MET 67 N -1.50 0.61 0.00 3.49 2.81 -0.27 -5.10 117.12 117.16 1u4l n MET 67 Ca 0.05 0.47 0.00 0.00 -1.81 0.00 0.00 57.70 56.40 1u4l n MET 67 Cb 0.23 -1.71 0.00 0.00 -0.71 0.00 0.00 33.22 31.03 1u4l n MET 67 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91