#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u4r s ASP 6 N 0.00 5.18 0.77 4.04 1.01 -1.26 -5.01 116.67 121.39 1u4r s ASP 6 Ca 0.00 1.29 -0.12 0.00 0.71 0.00 0.00 52.55 54.43 1u4r s ASP 6 Cb 0.00 -2.10 0.06 0.00 1.01 0.00 0.00 42.92 41.89 1u4r s ASP 6 CO 0.00 -1.53 1.12 0.42 0.21 0.00 0.00 175.17 175.39 1u4r s THR 7 N -3.23 3.00 -0.09 -1.27 -4.23 -1.26 -5.03 115.64 103.53 1u4r s THR 7 Ca 0.59 0.37 0.02 0.00 -1.18 0.00 0.00 61.69 61.49 1u4r s THR 7 Cb -0.13 -2.79 -0.02 0.00 1.34 0.00 0.00 72.50 70.90 1u4r s THR 7 CO 0.53 -0.38 -0.15 -0.89 -0.54 0.00 0.00 174.62 173.20 1u4r s THR 8 N -2.64 2.94 -0.08 3.99 2.01 -1.26 -5.10 115.64 115.51 1u4r s THR 8 Ca 0.65 -0.73 -0.29 0.00 0.31 0.00 0.00 61.69 61.62 1u4r s THR 8 Cb -0.20 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 1u4r s THR 8 CO 0.52 0.56 0.97 -2.16 -0.69 0.00 0.00 174.62 173.82 1u4r s PRO 9 N -0.17 4.46 0.33 4.92 0.04 -1.26 -5.04 135.00 138.28 1u4r s PRO 9 Ca -0.01 1.35 0.06 0.00 0.04 0.00 0.00 61.00 62.45 1u4r s PRO 9 Cb -0.13 -3.51 -0.06 0.00 0.04 0.00 0.00 34.50 30.83 1u4r s PRO 9 CO 0.03 -0.22 -0.02 0.00 0.04 0.00 0.00 177.00 176.84 1u4r n PHE 12 N 1.21 0.00 -3.64 0.00 3.72 -1.26 -4.50 117.46 112.98 1u4r n PHE 12 Ca -0.18 -0.14 -0.05 0.00 -0.05 0.00 0.00 57.45 57.02 1u4r n PHE 12 Cb 0.53 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.99 1u4r n PHE 12 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1u4r s ALA 13 N -0.29 -2.10 0.24 4.37 0.00 -1.26 -5.16 121.76 117.56 1u4r s ALA 13 Ca 0.00 2.18 -0.06 0.00 0.00 0.00 0.00 51.96 54.08 1u4r s ALA 13 Cb 0.00 -1.56 -0.06 0.00 0.00 0.00 0.00 23.12 21.50 1u4r s ALA 13 CO 0.00 -0.33 0.50 0.71 0.00 0.00 0.00 175.76 176.64 1u4r s TYR 14 N 1.13 3.46 0.22 0.00 2.02 -1.26 -4.62 117.35 118.30 1u4r s TYR 14 Ca -0.06 0.67 -0.30 0.00 -0.37 0.00 0.00 57.07 57.00 1u4r s TYR 14 Cb -0.04 -2.11 -0.10 0.00 -0.40 0.00 0.00 41.96 39.31 1u4r s TYR 14 CO -0.13 0.27 1.43 -1.50 -1.57 0.00 0.00 175.55 174.05 1u4r s ILE 15 N -1.91 2.79 0.00 2.71 -1.16 0.09 -4.94 121.20 118.79 1u4r s ILE 15 Ca 0.44 0.64 0.00 0.00 -0.51 0.00 0.00 60.65 61.22 1u4r s ILE 15 Cb -0.11 -3.41 0.00 0.00 0.61 0.00 0.00 42.46 39.55 1u4r s ILE 15 CO 0.26 0.09 0.80 0.00 -2.81 0.00 0.00 174.94 173.28 1u4r n ALA 16 N 2.72 -0.15 -2.15 1.50 0.00 -1.26 -4.83 120.51 116.34 1u4r n ALA 16 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.32 1u4r n ALA 16 Cb 0.41 0.20 -0.02 0.00 0.00 0.00 0.00 19.45 20.04 1u4r n ALA 16 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1u4r s ARG 17 N -2.20 2.63 0.25 0.00 1.70 -1.26 -5.07 118.95 115.01 1u4r s ARG 17 Ca 0.00 -1.44 -0.31 0.00 -0.47 0.00 0.00 55.73 53.51 1u4r s ARG 17 Cb 0.00 -2.51 -0.12 0.00 -0.57 0.00 0.00 34.95 31.75 1u4r s ARG 17 CO 0.00 -0.23 1.59 -2.30 -1.08 0.00 0.00 175.30 173.28 1u4r n PRO 18 N -1.66 2.56 -1.38 3.89 -0.02 -1.26 -4.97 135.00 132.16 1u4r n PRO 18 Ca 0.05 0.91 -0.32 0.00 -2.02 0.00 0.00 63.50 62.13 1u4r n PRO 18 Cb 0.61 -2.69 0.08 0.00 -0.02 0.00 0.00 33.50 31.48 1u4r n PRO 18 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1u4r s LEU 19 N 0.12 3.14 -0.40 2.45 1.02 -1.26 -4.88 118.68 118.87 1u4r s LEU 19 Ca 0.68 1.91 -0.28 0.00 0.02 0.00 0.00 54.13 56.47 1u4r s LEU 19 Cb -0.54 -4.53 -0.02 0.00 0.02 0.00 0.00 46.19 41.11 1u4r s LEU 19 CO 0.44 -1.98 1.88 -2.16 0.02 0.00 0.00 176.35 174.55 1u4r s PRO 20 N -4.62 3.08 0.46 1.29 0.04 -1.26 -4.83 135.00 129.16 1u4r s PRO 20 Ca 0.64 1.29 0.28 0.00 0.04 0.00 0.00 61.00 63.24 1u4r s PRO 20 Cb -0.19 -4.28 1.34 0.00 0.04 0.00 0.00 34.50 31.42 1u4r s PRO 20 CO 0.51 -2.17 1.73 -0.09 0.04 0.00 0.00 177.00 177.03 1u4r h ARG 21 N 13.95 0.18 0.00 4.56 9.65 -1.98 0.22 114.38 140.96 1u4r h ARG 21 Ca -0.32 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.55 1u4r h ARG 21 Cb 1.18 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.72 1u4r h ARG 21 CO 1.08 0.12 0.00 0.00 2.80 0.00 0.00 179.97 183.97 1u4r h ALA 22 N 1.52 1.00 -0.00 2.80 0.00 -2.04 -3.06 119.26 119.49 1u4r h ALA 22 Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.58 1u4r h ALA 22 Cb 2.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.92 1u4r h ALA 22 CO -0.24 0.00 -0.33 0.72 0.00 0.00 0.00 179.25 179.40 1u4r n HIS 23 N -2.32 0.00 -3.28 0.00 8.25 0.06 -4.88 115.22 113.05 1u4r n HIS 23 Ca 0.03 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.11 1u4r n HIS 23 Cb 0.31 -0.22 -0.06 0.00 1.12 0.00 0.00 29.99 31.14 1u4r n HIS 23 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1u4r s ILE 24 N -2.78 4.84 0.00 1.59 1.01 -1.16 -0.42 121.20 124.28 1u4r s ILE 24 Ca 0.18 1.17 0.00 0.00 0.00 0.00 0.00 60.65 62.00 1u4r s ILE 24 Cb 0.18 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.77 1u4r s ILE 24 CO 0.60 0.51 0.00 2.29 0.00 0.00 0.00 174.94 178.34 1u4r n LYS 25 N 2.10 2.20 -3.59 2.79 2.85 -0.34 -4.82 118.16 119.36 1u4r n LYS 25 Ca -0.10 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.06 1u4r n LYS 25 Cb 0.51 -0.86 -0.00 0.00 -0.65 0.00 0.00 35.03 34.03 1u4r n LYS 25 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1u4r n GLU 26 N -1.29 0.81 -3.61 -1.58 1.02 -0.98 -5.01 120.64 109.99 1u4r n GLU 26 Ca 0.00 -2.25 -0.06 0.00 -0.02 0.00 0.00 57.16 54.83 1u4r n GLU 26 Cb 0.15 2.43 -0.02 0.00 -0.02 0.00 0.00 31.44 33.99 1u4r n GLU 26 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1u4r s TYR 27 N -3.08 -0.25 -0.21 -0.32 -0.85 -1.26 -0.85 117.35 110.53 1u4r s TYR 27 Ca 0.20 0.04 -0.27 0.00 -0.52 0.00 0.00 57.07 56.52 1u4r s TYR 27 Cb -0.03 0.58 0.11 0.00 0.38 0.00 0.00 41.96 43.01 1u4r s TYR 27 CO 0.15 -0.66 0.93 -0.59 -1.52 0.00 0.00 175.55 173.86 1u4r s PHE 28 N -3.18 -0.51 0.03 -3.49 -0.12 -0.65 -4.96 117.98 105.09 1u4r s PHE 28 Ca 0.08 1.10 -0.25 0.00 -0.05 0.00 0.00 56.93 57.81 1u4r s PHE 28 Cb -0.01 0.38 -0.05 0.00 -0.63 0.00 0.00 43.02 42.71 1u4r s PHE 28 CO -0.04 -0.33 0.77 0.71 -0.05 0.00 0.00 175.22 176.28 1u4r s TYR 29 N -0.34 3.71 0.99 3.49 1.51 -1.26 -0.74 117.35 124.72 1u4r s TYR 29 Ca -0.01 1.47 -0.12 0.00 -1.01 0.00 0.00 57.07 57.40 1u4r s TYR 29 Cb -0.03 -2.84 0.19 0.00 -0.11 0.00 0.00 41.96 39.17 1u4r s TYR 29 CO -0.01 0.23 1.08 0.95 -1.11 0.00 0.00 175.55 176.70 1u4r s THR 30 N 0.11 2.29 0.38 -0.71 -4.23 -0.86 -4.92 115.64 107.70 1u4r s THR 30 Ca 0.39 0.09 -0.27 0.00 -1.18 0.00 0.00 61.69 60.72 1u4r s THR 30 Cb -0.20 -2.32 -0.11 0.00 1.34 0.00 0.00 72.50 71.20 1u4r s THR 30 CO 0.23 -0.12 1.35 -0.24 -0.54 0.00 0.00 174.62 175.30 1u4r n SER 31 N -4.33 3.05 0.29 3.99 2.88 -1.26 -4.82 113.62 113.42 1u4r n SER 31 Ca 0.07 1.19 0.18 0.00 -1.33 0.00 0.00 58.87 58.97 1u4r n SER 31 Cb 0.54 -1.53 0.84 0.00 -0.75 0.00 0.00 64.21 63.31 1u4r n SER 31 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1u4r h GLY 32 N 2.54 0.00 2.00 0.46 0.00 -1.98 -0.80 103.07 105.29 1u4r h GLY 32 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1u4r h GLY 32 CO 0.62 0.00 0.00 0.28 0.00 0.00 0.00 176.54 177.44 1u4r n LYS 33 N -3.22 0.11 -1.37 4.80 5.02 -1.26 -4.67 118.16 117.57 1u4r n LYS 33 Ca -0.01 0.49 -0.29 0.00 -2.02 0.00 0.00 58.31 56.48 1u4r n LYS 33 Cb 0.23 -1.78 0.14 0.00 -0.02 0.00 0.00 35.03 33.60 1u4r n LYS 33 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u4r h SER 35 N -1.58 0.46 -3.35 0.00 0.87 -1.87 -3.45 113.55 104.63 1u4r h SER 35 Ca -0.51 -0.89 -0.64 0.00 -1.23 0.00 0.00 61.79 58.52 1u4r h SER 35 Cb 1.32 -0.15 -0.22 0.00 -0.44 0.00 0.00 62.40 62.90 1u4r h SER 35 CO 0.59 1.58 -0.67 0.20 -0.53 0.00 0.00 176.83 178.01 1u4r s ASN 36 N -7.08 4.79 0.73 6.23 0.01 -1.26 -5.09 114.94 113.27 1u4r s ASN 36 Ca -0.17 -0.16 -0.15 0.00 -0.71 0.00 0.00 52.86 51.66 1u4r s ASN 36 Cb 0.04 -1.79 0.04 0.00 0.41 0.00 0.00 41.25 39.94 1u4r s ASN 36 CO 0.80 0.13 1.23 -2.84 -1.51 0.00 0.00 177.10 174.91 1u4r s PRO 37 N 0.62 2.07 -0.06 -0.60 0.02 -1.26 -4.64 135.00 131.15 1u4r s PRO 37 Ca -0.02 1.84 -0.31 0.00 0.02 0.00 0.00 61.00 62.54 1u4r s PRO 37 Cb -0.14 -1.82 0.11 0.00 0.02 0.00 0.00 34.50 32.68 1u4r s PRO 37 CO 0.02 -1.91 0.98 0.00 -0.33 0.00 0.00 177.00 175.77 1u4r s ALA 38 N -1.88 -1.90 -0.12 -1.55 0.00 -1.26 -4.77 121.76 110.28 1u4r s ALA 38 Ca 0.76 1.21 0.02 0.00 0.00 0.00 0.00 51.96 53.94 1u4r s ALA 38 Cb -0.31 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 1u4r s ALA 38 CO 0.46 -0.64 -0.18 0.08 0.00 0.00 0.00 175.76 175.47 1u4r s VAL 39 N -2.82 2.53 -0.31 0.00 1.01 -0.07 -2.02 120.40 118.72 1u4r s VAL 39 Ca 0.06 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 1u4r s VAL 39 Cb -0.01 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.36 1u4r s VAL 39 CO -0.07 0.54 0.09 -0.69 0.00 0.00 0.00 175.10 174.97 1u4r s VAL 40 N 0.46 3.97 0.09 2.92 1.01 0.08 0.07 120.40 129.00 1u4r s VAL 40 Ca -0.13 -0.77 -0.22 0.00 0.00 0.00 0.00 61.98 60.87 1u4r s VAL 40 Cb -0.17 -3.09 -0.07 0.00 0.00 0.00 0.00 36.38 33.06 1u4r s VAL 40 CO 0.05 0.02 0.65 -0.36 0.00 0.00 0.00 175.10 175.46 1u4r s PHE 41 N 1.49 3.82 -0.33 5.22 0.08 -0.33 -1.64 117.98 126.28 1u4r s PHE 41 Ca 0.02 1.39 -0.07 0.00 0.12 0.00 0.00 56.93 58.38 1u4r s PHE 41 Cb -0.18 -2.61 0.03 0.00 -0.57 0.00 0.00 43.02 39.69 1u4r s PHE 41 CO 0.03 0.52 0.12 0.08 -0.10 0.00 0.00 175.22 175.86 1u4r s VAL 42 N -0.94 4.01 1.18 -0.44 1.01 -0.03 -1.00 120.40 124.20 1u4r s VAL 42 Ca 0.32 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 61.18 1u4r s VAL 42 Cb -0.20 -3.20 0.27 0.00 0.00 0.00 0.00 36.38 33.25 1u4r s VAL 42 CO 0.21 -0.11 1.09 0.42 0.00 0.00 0.00 175.10 176.71 1u4r s THR 43 N 1.46 1.67 0.12 3.92 -4.23 -0.40 -1.19 115.64 117.00 1u4r s THR 43 Ca 0.00 0.00 0.34 0.00 -1.18 0.00 0.00 61.69 60.86 1u4r s THR 43 Cb -0.19 -2.45 0.39 0.00 1.34 0.00 0.00 72.50 71.59 1u4r s THR 43 CO 0.04 0.00 2.01 0.00 -0.54 0.00 0.00 174.62 176.13 1u4r h ALA 44 N -2.51 1.00 -0.56 3.99 0.00 -1.06 -2.07 119.26 118.05 1u4r h ALA 44 Ca -0.47 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1u4r h ALA 44 Cb 1.31 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1u4r h ALA 44 CO 0.39 0.00 0.04 0.00 0.00 0.00 0.00 179.25 179.68 1u4r n ALA 45 N -2.06 3.91 -2.46 0.00 0.00 -1.26 -4.92 120.51 113.72 1u4r n ALA 45 Ca 0.00 -1.84 -0.18 0.00 0.00 0.00 0.00 53.44 51.42 1u4r n ALA 45 Cb 0.26 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 1u4r n ALA 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1u4r n ASN 46 N 0.46 -5.24 -4.72 0.00 3.02 -0.78 -4.96 115.26 103.04 1u4r n ASN 46 Ca 0.28 0.03 -0.39 0.00 -0.03 0.00 0.00 54.58 54.47 1u4r n ASN 46 Cb 1.16 -4.38 -0.05 0.00 -0.61 0.00 0.00 39.78 35.91 1u4r n ASN 46 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u4r s ALA 47 N -2.91 3.38 -0.43 5.41 0.00 -1.26 -4.84 121.76 121.11 1u4r s ALA 47 Ca 0.02 0.07 -0.14 0.00 0.00 0.00 0.00 51.96 51.91 1u4r s ALA 47 Cb -0.01 -2.88 0.04 0.00 0.00 0.00 0.00 23.12 20.27 1u4r s ALA 47 CO 0.03 -0.05 0.32 -0.65 0.00 0.00 0.00 175.76 175.40 1u4r s GLN 48 N 0.63 2.93 -0.21 0.00 -0.21 -1.26 -1.27 119.66 120.28 1u4r s GLN 48 Ca 0.35 -1.17 -0.06 0.00 0.02 0.00 0.00 55.36 54.50 1u4r s GLN 48 Cb -0.17 -3.99 -0.03 0.00 1.00 0.00 0.00 33.01 29.82 1u4r s GLN 48 CO 0.17 -0.85 0.02 0.08 -2.12 0.00 0.00 175.29 172.58 1u4r s VAL 49 N 1.63 4.08 0.33 1.09 1.01 -0.17 -4.92 120.40 123.45 1u4r s VAL 49 Ca 0.04 -0.27 -0.28 0.00 0.00 0.00 0.00 61.98 61.47 1u4r s VAL 49 Cb -0.21 -2.86 -0.10 0.00 0.00 0.00 0.00 36.38 33.22 1u4r s VAL 49 CO 0.08 0.42 1.20 0.00 0.00 0.00 0.00 175.10 176.79 1u4r s ALA 51 N -1.21 -0.61 -0.38 0.00 0.00 0.11 -0.73 121.76 118.94 1u4r s ALA 51 Ca 0.49 0.06 -0.26 0.00 0.00 0.00 0.00 51.96 52.25 1u4r s ALA 51 Cb -0.35 0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1u4r s ALA 51 CO 0.45 -0.32 0.93 1.21 0.00 0.00 0.00 175.76 178.04 1u4r s ASN 52 N -1.69 6.67 0.12 0.00 3.84 -1.26 -0.90 114.94 121.72 1u4r s ASN 52 Ca -0.10 0.55 0.10 0.00 0.21 0.00 0.00 52.86 53.63 1u4r s ASN 52 Cb -0.03 -2.47 0.51 0.00 -0.55 0.00 0.00 41.25 38.71 1u4r s ASN 52 CO 0.00 -0.88 1.31 -0.81 -2.79 0.00 0.00 177.10 173.94 1u4r n PRO 53 N 6.82 0.06 0.08 0.43 -0.04 -1.26 -2.34 135.00 138.75 1u4r n PRO 53 Ca 0.07 0.51 -0.04 0.00 -0.04 0.00 0.00 63.50 64.00 1u4r n PRO 53 Cb 0.48 -1.67 -0.08 0.00 -0.04 0.00 0.00 33.50 32.19 1u4r n PRO 53 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1u4r h GLU 54 N 0.00 0.00 -7.11 0.54 3.07 -1.97 -3.41 114.58 105.69 1u4r h GLU 54 Ca 0.00 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 58.36 1u4r h GLU 54 Cb 0.06 0.00 0.08 0.00 -0.84 0.00 0.00 28.75 28.05 1u4r h GLU 54 CO 0.00 0.85 0.42 0.15 -1.40 0.00 0.00 179.01 179.03 1u4r s LYS 55 N -2.78 3.21 0.08 2.33 1.02 -0.99 -4.94 119.74 117.67 1u4r s LYS 55 Ca 0.02 1.57 -0.22 0.00 0.02 0.00 0.00 55.97 57.37 1u4r s LYS 55 Cb 0.09 -1.99 -0.12 0.00 -0.52 0.00 0.00 37.83 35.29 1u4r s LYS 55 CO 0.80 -0.95 1.62 0.87 -0.92 0.00 0.00 175.35 176.76 1u4r h LYS 56 N 0.93 0.17 -0.38 1.68 1.57 -1.89 -2.62 116.57 116.02 1u4r h LYS 56 Ca -0.49 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.24 1u4r h LYS 56 Cb 1.26 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 1u4r h LYS 56 CO 0.56 0.27 0.15 0.11 -0.57 0.00 0.00 179.45 179.97 1u4r h TRP 57 N 0.03 0.53 -0.19 -1.35 5.08 -1.96 0.53 115.95 118.62 1u4r h TRP 57 Ca 0.04 -0.02 -0.02 0.00 1.08 0.00 0.00 58.89 59.97 1u4r h TRP 57 Cb 0.16 -0.17 -0.01 0.00 -3.00 0.00 0.00 29.16 26.15 1u4r h TRP 57 CO -0.02 0.42 0.03 0.28 -1.28 0.00 0.00 178.44 177.87 1u4r h VAL 58 N 0.53 1.23 -0.43 0.12 2.07 -1.83 0.58 116.25 118.52 1u4r h VAL 58 Ca 0.13 -0.74 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 1u4r h VAL 58 Cb 0.11 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1u4r h VAL 58 CO -0.01 0.23 0.04 0.03 0.02 0.00 0.00 177.57 177.87 1u4r h ARG 59 N 0.11 0.74 -0.53 1.57 3.08 -1.05 -2.34 114.38 115.96 1u4r h ARG 59 Ca 0.06 -0.21 -0.11 0.00 0.07 0.00 0.00 59.98 59.78 1u4r h ARG 59 Cb 0.32 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1u4r h ARG 59 CO 0.00 0.79 -0.11 0.93 -1.07 0.00 0.00 179.97 180.51 1u4r h GLU 60 N 0.59 1.00 0.04 0.04 5.08 0.16 -1.80 114.58 119.68 1u4r h GLU 60 Ca 0.13 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1u4r h GLU 60 Cb 0.43 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1u4r h GLU 60 CO 0.01 1.04 -0.02 1.88 -1.00 0.00 0.00 179.01 180.93 1u4r h TYR 61 N 0.89 -0.05 -0.25 4.33 -1.99 0.23 -1.96 116.97 118.17 1u4r h TYR 61 Ca 0.14 -0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.91 1u4r h TYR 61 Cb 0.67 0.02 -0.04 0.00 2.00 0.00 0.00 36.73 39.38 1u4r h TYR 61 CO 0.04 0.01 0.01 0.82 -0.00 0.00 0.00 178.16 179.04 1u4r h ILE 62 N -0.10 0.84 -0.90 -2.88 2.04 -1.32 -0.00 117.51 115.19 1u4r h ILE 62 Ca -0.01 -0.03 0.15 0.00 1.00 0.00 0.00 64.86 65.98 1u4r h ILE 62 Cb 0.08 0.74 -0.10 0.00 -0.74 0.00 0.00 36.82 36.81 1u4r h ILE 62 CO 0.01 0.02 0.49 0.78 0.00 0.00 0.00 178.15 179.45 1u4r h ASN 63 N 0.09 0.62 -0.36 1.72 -0.26 -1.16 0.56 115.58 116.79 1u4r h ASN 63 Ca 0.12 0.09 -0.02 0.00 -0.56 0.00 0.00 56.30 55.92 1u4r h ASN 63 Cb 0.14 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.37 1u4r h ASN 63 CO -0.19 0.25 0.14 -1.28 -1.06 0.00 0.00 177.43 175.30 1u4r h SER 64 N 0.68 0.50 -0.37 5.81 0.87 -0.42 -1.93 113.55 118.70 1u4r h SER 64 Ca 0.49 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.86 1u4r h SER 64 Cb 0.70 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 1u4r h SER 64 CO -0.36 0.54 0.16 -0.07 -0.53 0.00 0.00 176.83 176.56 1u4r h LEU 65 N 0.44 0.51 -1.49 2.23 3.38 0.61 -2.84 115.31 118.14 1u4r h LEU 65 Ca 0.12 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1u4r h LEU 65 Cb 0.19 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1u4r h LEU 65 CO -0.01 0.52 -0.25 -0.33 0.09 0.00 0.00 178.44 178.47 1u4r h GLU 66 N 0.46 0.00 0.08 1.13 4.39 -0.89 -3.07 114.58 116.68 1u4r h GLU 66 Ca 0.13 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.83 1u4r h GLU 66 Cb 0.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1u4r h GLU 66 CO -0.01 0.25 -0.09 1.98 -1.16 0.00 0.00 179.01 179.97 1u4r h MET 67 N 0.00 -0.19 0.00 2.33 4.05 -1.09 -3.51 114.93 116.51 1u4r h MET 67 Ca -0.00 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1u4r h MET 67 Cb 0.54 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 1u4r h MET 67 CO 0.03 -0.13 0.00 0.45 0.23 0.00 0.00 176.91 177.49