#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i5r n ALA 3 N 0.00 2.52 -2.53 -1.46 0.00 -1.26 -4.84 120.51 112.93 3i5r n ALA 3 Ca 0.00 -0.40 -0.23 0.00 0.00 0.00 0.00 53.44 52.81 3i5r n ALA 3 Cb 0.00 -1.09 -0.12 0.00 0.00 0.00 0.00 19.45 18.24 3i5r n ALA 3 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i5r s GLU 4 N -1.79 1.13 -0.00 0.00 2.02 -1.26 -0.70 118.70 118.09 3i5r s GLU 4 Ca 0.26 -1.20 0.03 0.00 0.02 0.00 0.00 54.97 54.08 3i5r s GLU 4 Cb 0.13 -1.31 -0.01 0.00 0.10 0.00 0.00 34.13 33.04 3i5r s GLU 4 CO 0.20 0.29 -0.11 0.20 0.02 0.00 0.00 175.26 175.86 3i5r s GLY 5 N -2.08 0.55 -0.03 -1.39 0.00 0.28 -1.30 107.32 103.35 3i5r s GLY 5 Ca 0.08 -0.50 -0.17 0.00 0.00 0.00 0.00 44.72 44.13 3i5r s GLY 5 CO 0.05 -0.42 0.48 -0.19 0.00 0.00 0.00 173.10 173.01 3i5r s TYR 6 N -0.31 3.67 -0.05 1.90 2.02 0.80 -1.13 117.35 124.25 3i5r s TYR 6 Ca 0.04 1.03 0.00 0.00 -0.37 0.00 0.00 57.07 57.77 3i5r s TYR 6 Cb -0.05 -2.44 -0.03 0.00 -0.40 0.00 0.00 41.96 39.04 3i5r s TYR 6 CO -0.00 0.45 -0.02 -0.65 -1.57 0.00 0.00 175.55 173.76 3i5r s GLN 7 N -0.42 2.84 0.07 -0.62 -0.21 0.93 -0.69 119.66 121.55 3i5r s GLN 7 Ca 0.26 -0.53 0.03 0.00 0.02 0.00 0.00 55.36 55.14 3i5r s GLN 7 Cb -0.17 -2.69 -0.03 0.00 1.00 0.00 0.00 33.01 31.12 3i5r s GLN 7 CO 0.14 0.66 -0.09 0.71 -2.12 0.00 0.00 175.29 174.59 3i5r s TYR 8 N -0.95 0.90 -0.07 0.91 2.02 -0.06 -0.62 117.35 119.49 3i5r s TYR 8 Ca 0.15 -0.60 0.05 0.00 -0.37 0.00 0.00 57.07 56.31 3i5r s TYR 8 Cb -0.11 -0.51 -0.01 0.00 -0.40 0.00 0.00 41.96 40.93 3i5r s TYR 8 CO 0.05 -0.05 -0.24 0.50 -1.57 0.00 0.00 175.55 174.24 3i5r s ARG 9 N -2.29 2.62 0.07 -0.62 3.52 0.09 -0.52 118.95 121.82 3i5r s ARG 9 Ca -0.01 -0.87 -0.31 0.00 -0.13 0.00 0.00 55.73 54.41 3i5r s ARG 9 Cb -0.06 -2.14 -0.06 0.00 -1.56 0.00 0.00 34.95 31.13 3i5r s ARG 9 CO -0.00 0.31 1.23 0.00 -0.81 0.00 0.00 175.30 176.03 3i5r s ALA 10 N 0.01 3.43 -0.15 6.12 0.00 0.47 -1.06 121.76 130.58 3i5r s ALA 10 Ca -0.08 0.89 0.22 0.00 0.00 0.00 0.00 51.96 52.99 3i5r s ALA 10 Cb -0.15 -3.46 -0.20 0.00 0.00 0.00 0.00 23.12 19.31 3i5r s ALA 10 CO 0.05 -0.48 0.72 1.28 0.00 0.00 0.00 175.76 177.33 3i5r n LEU 11 N 3.97 0.35 -4.07 0.00 4.77 0.73 -1.00 117.00 121.74 3i5r n LEU 11 Ca 0.09 0.11 -0.09 0.00 -0.03 0.00 0.00 56.01 56.09 3i5r n LEU 11 Cb 0.46 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 3i5r n LEU 11 CO 0.56 -0.06 -0.37 -0.31 -1.33 0.00 0.00 177.39 175.88 3i5r s TYR 12 N -3.44 0.53 0.40 -1.77 2.02 -1.21 -4.84 117.35 109.05 3i5r s TYR 12 Ca -0.04 -0.83 -0.24 0.00 -0.37 0.00 0.00 57.07 55.58 3i5r s TYR 12 Cb 0.12 -0.36 -0.09 0.00 -0.40 0.00 0.00 41.96 41.24 3i5r s TYR 12 CO 0.86 -0.25 1.11 -0.51 -1.57 0.00 0.00 175.55 175.19 3i5r s ASP 13 N -2.38 6.60 -0.04 2.29 1.01 -1.26 -4.10 116.67 118.79 3i5r s ASP 13 Ca -0.00 2.20 -0.01 0.00 0.71 0.00 0.00 52.55 55.45 3i5r s ASP 13 Cb 0.00 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.36 3i5r s ASP 13 CO -0.05 -0.61 0.02 -0.47 0.21 0.00 0.00 175.17 174.27 3i5r s TYR 14 N -1.53 0.22 -0.16 4.23 5.04 -0.15 -4.95 117.35 120.06 3i5r s TYR 14 Ca 0.58 0.08 -0.16 0.00 -2.44 0.00 0.00 57.07 55.12 3i5r s TYR 14 Cb -0.26 -0.44 -0.04 0.00 0.35 0.00 0.00 41.96 41.57 3i5r s TYR 14 CO 0.33 -0.16 0.40 -1.59 -1.34 0.00 0.00 175.55 173.19 3i5r s LYS 15 N 1.45 4.26 0.27 4.97 -2.85 -1.26 -1.03 119.74 125.56 3i5r s LYS 15 Ca -0.04 0.26 -0.30 0.00 -1.00 0.00 0.00 55.97 54.89 3i5r s LYS 15 Cb -0.13 -3.47 -0.12 0.00 -2.06 0.00 0.00 37.83 32.05 3i5r s LYS 15 CO -0.03 0.11 1.50 0.36 0.10 0.00 0.00 175.35 177.40 3i5r n LYS 16 N 3.91 2.38 0.00 1.78 2.85 -1.26 -4.88 118.16 122.95 3i5r n LYS 16 Ca -0.09 0.85 0.06 0.00 -1.05 0.00 0.00 58.31 58.08 3i5r n LYS 16 Cb 0.51 -2.57 -0.01 0.00 -0.65 0.00 0.00 35.03 32.32 3i5r n LYS 16 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3i5r n GLU 17 N 2.05 2.06 -3.77 -1.58 4.71 -1.26 -5.01 120.64 117.84 3i5r n GLU 17 Ca 0.10 -0.60 -0.11 0.00 -0.01 0.00 0.00 57.16 56.54 3i5r n GLU 17 Cb 0.34 -1.15 -0.07 0.00 -1.01 0.00 0.00 31.44 29.55 3i5r n GLU 17 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 3i5r s ARG 18 N -1.66 0.81 0.31 3.49 3.52 -1.26 -5.06 118.95 119.10 3i5r s ARG 18 Ca 0.10 -0.57 0.04 0.00 -0.13 0.00 0.00 55.73 55.16 3i5r s ARG 18 Cb 0.10 0.34 0.64 0.00 -1.56 0.00 0.00 34.95 34.48 3i5r s ARG 18 CO 0.34 -0.26 1.87 1.49 -0.81 0.00 0.00 175.30 177.93 3i5r h GLU 19 N 3.18 0.87 -0.00 5.12 4.22 -2.03 -1.51 114.58 124.44 3i5r h GLU 19 Ca -0.32 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.07 3i5r h GLU 19 Cb 1.20 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.25 3i5r h GLU 19 CO 0.47 0.58 -0.03 -1.91 -2.18 0.00 0.00 179.01 175.94 3i5r n GLU 20 N -4.57 0.23 -1.84 1.92 4.07 -1.26 -4.87 120.64 114.32 3i5r n GLU 20 Ca 0.17 -0.02 -0.31 0.00 -0.06 0.00 0.00 57.16 56.95 3i5r n GLU 20 Cb 0.35 -1.50 0.02 0.00 -0.06 0.00 0.00 31.44 30.26 3i5r n GLU 20 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3i5r s ASP 21 N -2.78 5.92 0.12 4.31 1.01 -0.57 -1.06 116.67 123.62 3i5r s ASP 21 Ca 0.21 1.36 0.08 0.00 0.71 0.00 0.00 52.55 54.92 3i5r s ASP 21 Cb 0.20 -2.33 -0.04 0.00 1.01 0.00 0.00 42.92 41.76 3i5r s ASP 21 CO 0.50 -1.06 -0.15 0.27 0.21 0.00 0.00 175.17 174.94 3i5r s ILE 22 N -3.21 3.02 0.37 0.77 -4.36 -0.23 -4.62 121.20 112.94 3i5r s ILE 22 Ca 0.56 -1.46 -0.28 0.00 -0.26 0.00 0.00 60.65 59.22 3i5r s ILE 22 Cb -0.11 -2.41 -0.10 0.00 1.25 0.00 0.00 42.46 41.09 3i5r s ILE 22 CO 0.54 0.08 1.33 -1.81 0.24 0.00 0.00 174.94 175.31 3i5r s ASP 23 N -2.24 6.54 0.04 4.36 1.01 -1.26 -4.44 116.67 120.67 3i5r s ASP 23 Ca 0.20 2.72 0.05 0.00 0.71 0.00 0.00 52.55 56.22 3i5r s ASP 23 Cb -0.10 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.14 3i5r s ASP 23 CO 0.12 -0.70 -0.09 -0.76 0.21 0.00 0.00 175.17 173.95 3i5r s LEU 24 N -2.08 3.06 -0.01 1.23 1.43 -0.19 -4.96 118.68 117.15 3i5r s LEU 24 Ca 0.52 -0.25 0.06 0.00 -1.03 0.00 0.00 54.13 53.44 3i5r s LEU 24 Cb -0.40 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 3i5r s LEU 24 CO 0.53 0.25 -0.19 -1.00 0.23 0.00 0.00 176.35 176.16 3i5r s HIS 25 N -1.05 1.70 -0.16 0.29 3.76 -1.26 -0.98 115.29 117.59 3i5r s HIS 25 Ca 0.18 -0.33 -0.41 0.00 -0.15 0.00 0.00 55.06 54.35 3i5r s HIS 25 Cb -0.11 -1.08 -0.18 0.00 1.11 0.00 0.00 32.58 32.32 3i5r s HIS 25 CO 0.09 -0.01 1.41 -0.11 -0.85 0.00 0.00 174.74 175.27 3i5r n LEU 26 N 2.50 1.22 0.00 0.89 7.94 -1.26 -0.85 117.00 127.44 3i5r n LEU 26 Ca -0.15 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.89 3i5r n LEU 26 Cb 0.53 -1.03 0.00 0.00 0.53 0.00 0.00 43.42 43.46 3i5r n LEU 26 CO 0.24 -1.12 0.00 0.61 -1.11 0.00 0.00 177.39 176.01 3i5r n GLY 27 N 2.93 1.76 3.71 -3.96 0.00 -0.17 -4.99 105.19 104.48 3i5r n GLY 27 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 3i5r n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i5r n ASP 28 N 0.00 2.28 -4.45 1.61 8.00 -0.03 -4.67 116.55 119.28 3i5r n ASP 28 Ca 0.00 0.96 -0.34 0.00 0.71 0.00 0.00 54.79 56.12 3i5r n ASP 28 Cb 0.00 -1.53 -0.13 0.00 -0.02 0.00 0.00 41.12 39.44 3i5r n ASP 28 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i5r s ILE 29 N -1.32 3.64 0.08 0.53 -1.09 -1.26 -0.40 121.20 121.39 3i5r s ILE 29 Ca 0.72 -0.45 0.09 0.00 -2.23 0.00 0.00 60.65 58.78 3i5r s ILE 29 Cb -0.43 -2.58 -0.03 0.00 -1.58 0.00 0.00 42.46 37.83 3i5r s ILE 29 CO 0.49 0.50 -0.24 -0.76 -1.23 0.00 0.00 174.94 173.70 3i5r s LEU 30 N 0.42 2.36 -0.15 2.97 1.43 0.32 -0.32 118.68 125.71 3i5r s LEU 30 Ca -0.06 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.45 3i5r s LEU 30 Cb -0.15 -1.34 0.02 0.00 0.03 0.00 0.00 46.19 44.75 3i5r s LEU 30 CO 0.03 0.22 -0.18 -0.89 0.23 0.00 0.00 176.35 175.77 3i5r s THR 31 N -0.95 1.83 -0.23 5.49 2.01 0.06 -0.88 115.64 122.99 3i5r s THR 31 Ca 0.14 -0.82 -0.07 0.00 0.31 0.00 0.00 61.69 61.25 3i5r s THR 31 Cb -0.10 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.71 3i5r s THR 31 CO 0.05 0.50 0.05 -0.69 -0.69 0.00 0.00 174.62 173.85 3i5r s VAL 32 N 1.17 4.31 0.28 3.82 1.01 0.13 -0.76 120.40 130.36 3i5r s VAL 32 Ca -0.00 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 3i5r s VAL 32 Cb -0.14 -2.99 -0.12 0.00 0.00 0.00 0.00 36.38 33.14 3i5r s VAL 32 CO -0.08 0.38 1.63 0.21 0.00 0.00 0.00 175.10 177.24 3i5r s ASN 33 N 1.26 6.35 0.38 3.32 3.84 -1.26 -0.14 114.94 128.70 3i5r s ASN 33 Ca 0.04 2.96 0.10 0.00 0.21 0.00 0.00 52.86 56.17 3i5r s ASN 33 Cb -0.15 -2.63 0.88 0.00 -0.55 0.00 0.00 41.25 38.80 3i5r s ASN 33 CO 0.03 -0.94 1.92 0.50 -2.79 0.00 0.00 177.10 175.82 3i5r h LYS 34 N 5.18 0.59 -0.58 0.43 3.64 -1.52 0.25 116.57 124.57 3i5r h LYS 34 Ca -0.46 -0.04 0.10 0.00 -1.27 0.00 0.00 60.65 58.98 3i5r h LYS 34 Cb 1.22 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 3i5r h LYS 34 CO 0.82 0.39 0.39 0.78 -2.27 0.00 0.00 179.45 179.56 3i5r h GLY 35 N 0.61 0.51 1.03 5.01 0.00 -1.89 -0.67 103.07 107.67 3i5r h GLY 35 Ca 0.36 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.50 3i5r h GLY 35 CO -0.14 0.09 0.25 1.76 0.00 0.00 0.00 176.54 178.51 3i5r h SER 36 N 0.36 1.01 0.89 0.19 0.02 -1.30 -0.24 113.55 114.48 3i5r h SER 36 Ca 0.27 -0.19 -0.22 0.00 -0.84 0.00 0.00 61.79 60.81 3i5r h SER 36 Cb 0.57 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 3i5r h SER 36 CO -0.07 0.93 -1.03 -0.07 -1.14 0.00 0.00 176.83 175.45 3i5r h LEU 37 N 1.03 0.10 -0.47 5.07 3.38 -1.35 -2.67 115.31 120.39 3i5r h LEU 37 Ca 0.23 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.13 3i5r h LEU 37 Cb 0.26 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3i5r h LEU 37 CO -0.01 1.06 0.27 0.58 0.09 0.00 0.00 178.44 180.42 3i5r h VAL 38 N 0.02 1.02 -0.72 1.22 2.07 -1.01 0.93 116.25 119.78 3i5r h VAL 38 Ca -0.04 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.31 3i5r h VAL 38 Cb 1.77 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 3i5r h VAL 38 CO 0.14 0.10 0.47 0.00 0.02 0.00 0.00 177.57 178.30 3i5r h ALA 39 N 1.23 1.48 0.00 1.67 0.00 -0.95 -2.17 119.26 120.51 3i5r h ALA 39 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3i5r h ALA 39 Cb 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3i5r h ALA 39 CO -0.11 0.48 -0.32 1.28 0.00 0.00 0.00 179.25 180.58 3i5r n LEU 40 N -4.42 0.60 0.00 0.00 4.77 -1.01 -4.96 117.00 111.98 3i5r n LEU 40 Ca 0.08 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 3i5r n LEU 40 Cb 0.04 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 3i5r n LEU 40 CO 0.36 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3i5r n GLY 41 N 1.38 0.62 0.34 -0.72 0.00 -0.23 -4.99 105.19 101.59 3i5r n GLY 41 Ca 0.05 -0.77 0.08 0.00 0.00 0.00 0.00 46.02 45.37 3i5r n GLY 41 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i5r n PHE 42 N -3.27 0.30 1.57 1.61 3.72 0.15 -4.70 117.46 116.84 3i5r n PHE 42 Ca 0.00 -0.84 0.13 0.00 -0.05 0.00 0.00 57.45 56.69 3i5r n PHE 42 Cb 0.30 -0.17 0.56 0.00 -0.94 0.00 0.00 39.48 39.23 3i5r n PHE 42 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3i5r n SER 43 N -0.86 1.13 -2.12 4.37 3.41 -1.21 -2.49 113.62 115.85 3i5r n SER 43 Ca 0.15 -1.46 -0.24 0.00 -0.26 0.00 0.00 58.87 57.05 3i5r n SER 43 Cb 0.63 -0.03 0.12 0.00 -0.26 0.00 0.00 64.21 64.67 3i5r n SER 43 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3i5r n ASP 44 N -0.09 5.22 0.00 4.04 5.75 -1.26 -4.78 116.55 125.42 3i5r n ASP 44 Ca 0.19 -3.46 0.00 0.00 -0.01 0.00 0.00 54.79 51.50 3i5r n ASP 44 Cb 0.28 -0.88 0.00 0.00 -1.03 0.00 0.00 41.12 39.49 3i5r n ASP 44 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i5r n GLY 45 N -0.76 1.25 0.00 6.12 0.00 -1.26 -4.96 105.19 105.58 3i5r n GLY 45 Ca 0.52 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.64 3i5r n GLY 45 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i5r n GLN 46 N 0.00 0.19 0.15 1.61 6.02 -1.16 -2.31 117.38 121.88 3i5r n GLN 46 Ca 0.00 0.13 0.18 0.00 -0.01 0.00 0.00 57.00 57.30 3i5r n GLN 46 Cb 0.00 -1.50 0.78 0.00 1.02 0.00 0.00 30.24 30.54 3i5r n GLN 46 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 3i5r h GLU 47 N 0.00 0.00 -0.00 -1.09 9.09 -1.83 0.34 114.58 121.10 3i5r h GLU 47 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3i5r h GLU 47 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 3i5r h GLU 47 CO 0.00 0.00 -0.08 0.00 0.05 0.00 0.00 179.01 178.98 3i5r n ALA 48 N -2.38 2.68 -3.19 1.06 0.00 -0.98 -4.12 120.51 113.58 3i5r n ALA 48 Ca 0.04 -0.22 -0.25 0.00 0.00 0.00 0.00 53.44 53.01 3i5r n ALA 48 Cb 0.44 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.44 3i5r n ALA 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i5r n ARG 49 N -1.10 2.11 0.29 0.00 1.74 0.11 -4.62 116.66 115.19 3i5r n ARG 49 Ca 0.14 -4.22 0.14 0.00 -0.77 0.00 0.00 57.85 53.14 3i5r n ARG 49 Cb 0.27 -1.95 0.85 0.00 -1.02 0.00 0.00 32.46 30.60 3i5r n ARG 49 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3i5r h PRO 50 N 3.57 0.00 0.00 5.56 0.13 -1.72 0.47 132.00 140.02 3i5r h PRO 50 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3i5r h PRO 50 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3i5r h PRO 50 CO 0.70 0.03 0.00 1.05 -0.23 0.00 0.00 178.00 179.55 3i5r h GLU 51 N 0.00 0.00 0.00 0.86 9.09 -1.83 -2.27 114.58 120.42 3i5r h GLU 51 Ca -0.00 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.25 3i5r h GLU 51 Cb 0.08 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.15 3i5r h GLU 51 CO 0.00 0.00 -1.65 0.39 0.05 0.00 0.00 179.01 177.81 3i5r n GLU 52 N -2.74 0.64 -0.08 1.06 1.02 0.14 -4.31 120.64 116.36 3i5r n GLU 52 Ca 0.01 0.10 -0.13 0.00 -0.02 0.00 0.00 57.16 57.11 3i5r n GLU 52 Cb 0.23 -1.71 -0.05 0.00 -0.02 0.00 0.00 31.44 29.89 3i5r n GLU 52 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3i5r h ILE 53 N 0.00 1.31 0.00 -3.67 2.04 -1.19 -3.50 117.51 112.51 3i5r h ILE 53 Ca -0.19 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.20 3i5r h ILE 53 Cb 1.54 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 39.31 3i5r h ILE 53 CO 0.03 0.46 0.00 0.61 0.00 0.00 0.00 178.15 179.25 3i5r n GLY 54 N 0.22 0.74 3.75 5.37 0.00 -1.02 -4.97 105.19 109.29 3i5r n GLY 54 Ca -0.05 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 3i5r n GLY 54 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3i5r s TRP 55 N 0.00 3.22 0.27 1.61 0.52 -1.26 -0.35 118.94 122.95 3i5r s TRP 55 Ca 0.00 1.34 0.12 0.00 0.02 0.00 0.00 56.10 57.57 3i5r s TRP 55 Cb 0.00 -3.60 -0.05 0.00 -1.15 0.00 0.00 33.47 28.67 3i5r s TRP 55 CO 0.00 -1.74 -0.19 -0.51 0.02 0.00 0.00 176.95 174.53 3i5r s LEU 56 N -0.86 2.58 -0.08 2.99 1.43 -0.14 -4.85 118.68 119.76 3i5r s LEU 56 Ca 0.53 -1.03 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 3i5r s LEU 56 Cb -0.37 -1.05 0.01 0.00 0.03 0.00 0.00 46.19 44.80 3i5r s LEU 56 CO 0.44 0.02 -0.16 0.21 0.23 0.00 0.00 176.35 177.08 3i5r s ASN 57 N -3.48 2.22 0.09 2.29 3.84 -1.26 -0.78 114.94 117.86 3i5r s ASN 57 Ca 0.29 -0.39 -0.10 0.00 0.21 0.00 0.00 52.86 52.87 3i5r s ASN 57 Cb -0.05 -1.02 0.04 0.00 -0.55 0.00 0.00 41.25 39.67 3i5r s ASN 57 CO 0.14 0.07 0.49 0.61 -2.79 0.00 0.00 177.10 175.62 3i5r n GLY 58 N 3.76 0.99 3.58 1.21 0.00 -0.56 -4.59 105.19 109.58 3i5r n GLY 58 Ca -0.21 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.41 3i5r n GLY 58 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i5r s TYR 59 N -4.21 3.21 -0.61 1.61 5.04 0.06 -1.63 117.35 120.82 3i5r s TYR 59 Ca 0.11 -0.02 -0.25 0.00 -2.44 0.00 0.00 57.07 54.47 3i5r s TYR 59 Cb -0.01 -2.23 0.04 0.00 0.35 0.00 0.00 41.96 40.11 3i5r s TYR 59 CO 0.03 -0.07 1.08 1.21 -1.34 0.00 0.00 175.55 176.45 3i5r s ASN 60 N 1.15 6.30 0.43 4.32 3.84 0.52 -0.76 114.94 130.75 3i5r s ASN 60 Ca 0.06 -0.36 0.16 0.00 0.21 0.00 0.00 52.86 52.92 3i5r s ASN 60 Cb -0.14 -2.49 0.96 0.00 -0.55 0.00 0.00 41.25 39.03 3i5r s ASN 60 CO 0.04 -1.45 1.94 -0.33 -2.79 0.00 0.00 177.10 174.52 3i5r h GLU 61 N 9.56 0.00 -0.09 0.43 4.39 -0.97 0.44 114.58 128.33 3i5r h GLU 61 Ca -0.27 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.26 3i5r h GLU 61 Cb 1.06 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.72 3i5r h GLU 61 CO 1.17 0.24 -0.64 1.15 -1.16 0.00 0.00 179.01 179.77 3i5r h THR 62 N 0.00 1.34 0.00 1.13 2.02 -1.89 -3.34 112.91 112.17 3i5r h THR 62 Ca -0.00 -1.94 0.00 0.00 0.77 0.00 0.00 66.41 65.24 3i5r h THR 62 Cb 0.45 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 3i5r h THR 62 CO 0.03 0.59 -1.61 0.35 0.37 0.00 0.00 175.52 175.25 3i5r n THR 63 N -4.12 0.11 -1.00 3.16 -2.24 -1.10 -4.99 114.28 104.10 3i5r n THR 63 Ca -0.08 -0.41 -0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3i5r n THR 63 Cb 0.67 0.10 -0.00 0.00 -2.10 0.00 0.00 70.33 69.00 3i5r n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i5r n GLY 64 N 1.29 0.48 3.81 3.38 0.00 0.15 -5.04 105.19 109.26 3i5r n GLY 64 Ca -0.02 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 3i5r n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i5r s GLU 65 N -0.22 3.06 0.01 1.61 2.02 -1.20 -4.90 118.70 119.10 3i5r s GLU 65 Ca 0.00 -0.56 0.08 0.00 0.02 0.00 0.00 54.97 54.52 3i5r s GLU 65 Cb 0.00 -2.84 -0.02 0.00 0.10 0.00 0.00 34.13 31.36 3i5r s GLU 65 CO 0.00 0.61 -0.25 0.50 0.02 0.00 0.00 175.26 176.13 3i5r s ARG 66 N -2.14 1.90 0.00 1.61 3.52 -1.26 -0.35 118.95 122.22 3i5r s ARG 66 Ca 0.28 -1.00 0.00 0.00 -0.13 0.00 0.00 55.73 54.88 3i5r s ARG 66 Cb -0.12 -1.95 0.00 0.00 -1.56 0.00 0.00 34.95 31.32 3i5r s ARG 66 CO 0.20 0.52 0.00 0.41 -0.81 0.00 0.00 175.30 175.62 3i5r n GLY 67 N 2.12 -0.84 3.83 8.12 0.00 -0.64 -4.77 105.19 113.01 3i5r n GLY 67 Ca -0.16 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 3i5r n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i5r s ASP 68 N -4.00 6.90 0.05 1.61 1.01 -0.22 -1.49 116.67 120.52 3i5r s ASP 68 Ca 0.00 1.22 -0.18 0.00 0.71 0.00 0.00 52.55 54.30 3i5r s ASP 68 Cb 0.00 -2.34 0.03 0.00 1.01 0.00 0.00 42.92 41.62 3i5r s ASP 68 CO 0.00 0.04 0.40 0.72 0.21 0.00 0.00 175.17 176.55 3i5r s PHE 69 N -1.55 -0.25 -0.04 4.23 -0.12 0.04 -1.07 117.98 119.22 3i5r s PHE 69 Ca 0.42 0.20 -0.29 0.00 -0.05 0.00 0.00 56.93 57.20 3i5r s PHE 69 Cb -0.15 0.21 -0.03 0.00 -0.63 0.00 0.00 43.02 42.42 3i5r s PHE 69 CO 0.20 -0.57 0.96 -1.25 -0.05 0.00 0.00 175.22 174.51 3i5r s PRO 70 N -2.51 4.50 0.54 1.99 0.04 -1.26 -0.96 135.00 137.35 3i5r s PRO 70 Ca -0.05 1.35 0.31 0.00 0.04 0.00 0.00 61.00 62.66 3i5r s PRO 70 Cb -0.01 -3.48 1.53 0.00 0.04 0.00 0.00 34.50 32.58 3i5r s PRO 70 CO -0.03 -0.12 2.07 0.78 0.04 0.00 0.00 177.00 179.75 3i5r h GLY 71 N 7.17 0.00 2.00 0.56 0.00 -0.89 -1.77 103.07 110.13 3i5r h GLY 71 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3i5r h GLY 71 CO 0.78 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 176.02 3i5r n THR 72 N -3.38 0.84 1.36 4.70 -2.24 -1.26 -2.73 114.28 111.56 3i5r n THR 72 Ca -0.01 0.19 0.13 0.00 -2.27 0.00 0.00 64.05 62.10 3i5r n THR 72 Cb 0.25 -1.03 0.41 0.00 -2.10 0.00 0.00 70.33 67.86 3i5r n THR 72 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3i5r n TYR 73 N -1.93 0.00 -4.29 4.78 4.02 -0.67 -4.92 117.16 114.16 3i5r n TYR 73 Ca 0.03 -0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.76 3i5r n TYR 73 Cb 0.23 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.44 3i5r n TYR 73 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 3i5r s VAL 74 N -2.00 1.24 -0.06 -0.72 -7.23 -1.11 -0.20 120.40 110.33 3i5r s VAL 74 Ca 0.35 -2.08 0.05 0.00 -1.81 0.00 0.00 61.98 58.49 3i5r s VAL 74 Cb 0.21 -2.00 -0.01 0.00 0.56 0.00 0.00 36.38 35.13 3i5r s VAL 74 CO 0.33 -0.62 -0.23 -0.70 -0.31 0.00 0.00 175.10 173.56 3i5r s GLU 75 N -3.76 2.63 0.18 4.82 2.12 -0.23 -4.73 118.70 119.74 3i5r s GLU 75 Ca 0.20 -0.87 -0.31 0.00 0.36 0.00 0.00 54.97 54.35 3i5r s GLU 75 Cb 0.03 -2.22 -0.09 0.00 0.26 0.00 0.00 34.13 32.11 3i5r s GLU 75 CO 0.04 0.38 1.43 -0.47 -0.54 0.00 0.00 175.26 176.09 3i5r s TYR 76 N -0.14 3.14 0.00 5.30 5.04 -1.26 -0.74 117.35 128.69 3i5r s TYR 76 Ca -0.04 0.94 0.00 0.00 -2.44 0.00 0.00 57.07 55.53 3i5r s TYR 76 Cb -0.14 -3.76 0.00 0.00 0.35 0.00 0.00 41.96 38.41 3i5r s TYR 76 CO 0.04 -2.62 0.16 0.44 -1.34 0.00 0.00 175.55 172.23 3i5r n ILE 77 N 3.29 0.00 -0.27 3.14 -5.35 0.21 -4.91 119.36 115.47 3i5r n ILE 77 Ca 0.10 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.10 3i5r n ILE 77 Cb 0.41 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 3i5r n ILE 77 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i5r n GLY 78 N 0.63 0.85 3.27 3.28 0.00 -1.21 -4.98 105.19 107.03 3i5r n GLY 78 Ca 0.00 -1.85 -0.15 0.00 0.00 0.00 0.00 46.02 44.01 3i5r n GLY 78 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i5r s ARG 79 N -2.00 1.12 0.15 1.61 1.70 -1.26 -0.05 118.95 120.22 3i5r s ARG 79 Ca 0.00 -1.47 -0.07 0.00 -0.47 0.00 0.00 55.73 53.71 3i5r s ARG 79 Cb 0.00 -0.76 -0.01 0.00 -0.57 0.00 0.00 34.95 33.60 3i5r s ARG 79 CO 0.00 0.11 0.23 -1.59 -1.08 0.00 0.00 175.30 172.97 3i5r s LYS 80 N -3.66 1.06 0.25 3.89 -2.85 -0.28 -4.94 119.74 113.21 3i5r s LYS 80 Ca 0.18 -1.19 -0.30 0.00 -1.00 0.00 0.00 55.97 53.66 3i5r s LYS 80 Cb 0.01 0.35 -0.09 0.00 -2.06 0.00 0.00 37.83 36.04 3i5r s LYS 80 CO 0.02 -0.37 1.10 -1.59 0.10 0.00 0.00 175.35 174.62 3i5r s LYS 81 N -3.96 4.62 0.00 1.78 -2.85 -1.26 -0.56 119.74 117.51 3i5r s LYS 81 Ca 0.16 1.78 0.03 0.00 -1.00 0.00 0.00 55.97 56.95 3i5r s LYS 81 Cb 0.04 -3.22 0.02 0.00 -2.06 0.00 0.00 37.83 32.62 3i5r s LYS 81 CO -0.01 0.16 0.60 0.44 0.10 0.00 0.00 175.35 176.64