#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5u s VAL 4 N 0.00 0.01 -0.11 0.00 0.11 -1.26 -5.13 120.40 114.02 1i5u s VAL 4 Ca 0.00 -0.07 -0.06 0.00 -2.93 0.00 0.00 61.98 58.92 1i5u s VAL 4 Cb 0.00 -0.98 -0.04 0.00 -1.53 0.00 0.00 36.38 33.83 1i5u s VAL 4 CO 0.00 -0.04 0.13 -0.54 -3.33 0.00 0.00 175.10 171.32 1i5u s LYS 5 N -2.04 3.39 -0.14 1.54 1.02 -1.26 -4.95 119.74 117.30 1i5u s LYS 5 Ca -0.07 -0.18 -0.11 0.00 0.02 0.00 0.00 55.97 55.64 1i5u s LYS 5 Cb -0.01 -3.14 -0.05 0.00 -0.52 0.00 0.00 37.83 34.12 1i5u s LYS 5 CO 0.02 0.76 0.21 0.71 -0.92 0.00 0.00 175.35 176.13 1i5u s TYR 6 N -1.04 3.52 0.04 3.18 1.51 -1.26 -0.38 117.35 122.92 1i5u s TYR 6 Ca 0.16 0.53 0.07 0.00 -1.01 0.00 0.00 57.07 56.83 1i5u s TYR 6 Cb -0.12 -2.15 -0.03 0.00 -0.11 0.00 0.00 41.96 39.55 1i5u s TYR 6 CO 0.05 0.46 -0.21 0.71 -1.11 0.00 0.00 175.55 175.45 1i5u s TYR 7 N -0.21 1.85 0.23 2.71 2.02 0.01 -4.82 117.35 119.14 1i5u s TYR 7 Ca 0.14 -0.38 -0.24 0.00 -0.37 0.00 0.00 57.07 56.22 1i5u s TYR 7 Cb -0.12 -1.10 -0.09 0.00 -0.40 0.00 0.00 41.96 40.25 1i5u s TYR 7 CO 0.03 0.10 0.82 0.95 -1.57 0.00 0.00 175.55 175.88 1i5u s THR 8 N -0.81 4.36 0.25 -0.71 -4.23 -1.26 -0.43 115.64 112.81 1i5u s THR 8 Ca 0.08 1.64 -0.04 0.00 -1.18 0.00 0.00 61.69 62.19 1i5u s THR 8 Cb -0.09 -4.03 0.22 0.00 1.34 0.00 0.00 72.50 69.94 1i5u s THR 8 CO 0.02 0.31 1.82 0.25 -0.54 0.00 0.00 174.62 176.48 1i5u h LEU 9 N 3.69 0.71 -0.99 4.79 6.46 -1.97 0.62 115.31 128.62 1i5u h LEU 9 Ca -0.47 0.05 0.10 0.00 -0.12 0.00 0.00 57.88 57.43 1i5u h LEU 9 Cb 1.20 -0.09 -0.12 0.00 -0.73 0.00 0.00 40.66 40.91 1i5u h LEU 9 CO 0.66 0.41 -0.56 1.21 -0.62 0.00 0.00 178.44 179.53 1i5u n GLU 10 N -4.72 -0.41 0.32 1.25 4.07 -1.26 -0.38 120.64 119.51 1i5u n GLU 10 Ca 0.14 1.50 -0.17 0.00 -0.06 0.00 0.00 57.16 58.57 1i5u n GLU 10 Cb 0.28 -2.21 -0.09 0.00 -0.06 0.00 0.00 31.44 29.36 1i5u n GLU 10 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1i5u h GLU 11 N 0.00 -0.78 -0.89 5.31 3.07 -1.33 -2.75 114.58 117.21 1i5u h GLU 11 Ca 0.18 0.05 0.21 0.00 -0.50 0.00 0.00 59.36 59.30 1i5u h GLU 11 Cb 0.43 0.18 -0.12 0.00 -0.84 0.00 0.00 28.75 28.40 1i5u h GLU 11 CO -0.94 -0.52 0.42 0.82 -1.40 0.00 0.00 179.01 177.39 1i5u h ILE 12 N -0.81 0.53 -0.04 3.13 1.08 -0.44 0.22 117.51 121.19 1i5u h ILE 12 Ca -0.07 -0.16 0.01 0.00 -0.39 0.00 0.00 64.86 64.25 1i5u h ILE 12 Cb 0.64 0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 34.42 1i5u h ILE 12 CO 0.10 0.08 0.04 1.56 -0.69 0.00 0.00 178.15 179.24 1i5u h GLN 13 N 0.46 0.00 0.00 2.37 4.20 -0.41 0.12 115.11 121.84 1i5u h GLN 13 Ca 0.55 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 59.17 1i5u h GLN 13 Cb 0.99 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 1i5u h GLN 13 CO -0.49 0.00 -0.42 0.87 -0.67 0.00 0.00 178.83 178.12 1i5u h LYS 14 N 0.00 0.00 -2.62 1.46 1.57 -0.48 -3.34 116.57 113.16 1i5u h LYS 14 Ca 0.02 0.00 -0.78 0.00 -1.87 0.00 0.00 60.65 58.02 1i5u h LYS 14 Cb 0.10 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.20 1i5u h LYS 14 CO -0.00 0.42 1.53 0.72 -0.57 0.00 0.00 179.45 181.56 1i5u n HIS 15 N -3.39 2.64 -2.37 -1.35 8.25 0.41 -4.68 115.22 114.72 1i5u n HIS 15 Ca 0.01 -2.67 -0.05 0.00 -0.26 0.00 0.00 57.72 54.75 1i5u n HIS 15 Cb 0.60 -1.49 0.06 0.00 1.12 0.00 0.00 29.99 30.28 1i5u n HIS 15 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1i5u n ASN 16 N 1.17 2.45 -1.38 0.41 6.94 -0.39 -0.55 115.26 123.91 1i5u n ASN 16 Ca 0.47 -2.77 -0.02 0.00 -0.02 0.00 0.00 54.58 52.25 1i5u n ASN 16 Cb 0.28 -0.41 0.01 0.00 -2.36 0.00 0.00 39.78 37.29 1i5u n ASN 16 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1i5u n ASN 17 N -0.50 -0.45 -0.30 0.53 5.15 0.36 -4.79 115.26 115.26 1i5u n ASN 17 Ca 0.19 -1.30 0.10 0.00 -0.60 0.00 0.00 54.58 52.97 1i5u n ASN 17 Cb 0.90 0.75 0.27 0.00 -0.53 0.00 0.00 39.78 41.17 1i5u n ASN 17 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1i5u h SER 18 N 0.40 0.45 0.50 1.20 0.02 -1.98 0.12 113.55 114.26 1i5u h SER 18 Ca -0.07 0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1i5u h SER 18 Cb 0.25 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 1i5u h SER 18 CO 0.08 0.12 -0.09 0.11 -1.14 0.00 0.00 176.83 175.91 1i5u h LYS 19 N 0.52 0.00 -0.55 3.45 1.57 -1.97 -3.42 116.57 116.17 1i5u h LYS 19 Ca 0.52 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.47 1i5u h LYS 19 Cb 0.87 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.97 1i5u h LYS 19 CO -0.44 0.09 -0.06 -1.12 -0.57 0.00 0.00 179.45 177.35 1i5u s SER 20 N -5.92 -0.82 -0.71 0.86 0.01 0.38 -5.04 113.70 102.46 1i5u s SER 20 Ca -0.02 0.36 -0.06 0.00 1.31 0.00 0.00 55.95 57.53 1i5u s SER 20 Cb 0.12 1.62 0.18 0.00 0.21 0.00 0.00 66.02 68.16 1i5u s SER 20 CO 0.56 -0.15 0.56 -0.89 0.41 0.00 0.00 173.24 173.73 1i5u s THR 21 N 2.92 4.32 0.07 1.44 2.01 -1.01 -0.48 115.64 124.91 1i5u s THR 21 Ca 0.11 -2.90 0.07 0.00 0.31 0.00 0.00 61.69 59.29 1i5u s THR 21 Cb -0.10 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 1i5u s THR 21 CO -0.18 -0.94 -0.16 0.26 -0.69 0.00 0.00 174.62 172.91 1i5u s TRP 22 N -0.11 2.60 0.13 4.92 0.51 0.28 -1.23 118.94 126.04 1i5u s TRP 22 Ca 0.18 -0.23 -0.11 0.00 -2.12 0.00 0.00 56.10 53.83 1i5u s TRP 22 Cb -0.16 -1.44 0.00 0.00 -0.81 0.00 0.00 33.47 31.06 1i5u s TRP 22 CO -0.05 0.32 0.29 -0.51 -0.51 0.00 0.00 176.95 176.48 1i5u s LEU 23 N -1.71 0.97 -0.08 2.99 1.02 -1.23 -0.40 118.68 120.24 1i5u s LEU 23 Ca 0.16 -0.68 -0.23 0.00 0.02 0.00 0.00 54.13 53.40 1i5u s LEU 23 Cb -0.11 1.31 -0.04 0.00 0.02 0.00 0.00 46.19 47.38 1i5u s LEU 23 CO 0.08 -0.84 0.69 -0.63 0.02 0.00 0.00 176.35 175.66 1i5u s ILE 24 N -3.90 5.05 -0.08 -0.59 1.09 -0.04 -2.53 121.20 120.20 1i5u s ILE 24 Ca 0.10 1.41 0.02 0.00 -1.10 0.00 0.00 60.65 61.08 1i5u s ILE 24 Cb 0.03 -4.02 0.01 0.00 -1.06 0.00 0.00 42.46 37.42 1i5u s ILE 24 CO -0.06 0.24 -0.15 -0.76 -0.10 0.00 0.00 174.94 174.11 1i5u s LEU 25 N 0.90 1.74 -1.27 2.97 2.01 -0.01 -0.92 118.68 124.10 1i5u s LEU 25 Ca 0.36 -0.38 -0.08 0.00 0.01 0.00 0.00 54.13 54.04 1i5u s LEU 25 Cb -0.17 -1.01 0.06 0.00 0.01 0.00 0.00 46.19 45.08 1i5u s LEU 25 CO 0.17 0.05 0.45 1.41 1.01 0.00 0.00 176.35 179.44 1i5u n HIS 26 N 3.88 -1.77 -2.05 0.29 8.25 -1.26 -0.37 115.22 122.19 1i5u n HIS 26 Ca -0.21 0.43 -0.14 0.00 -0.26 0.00 0.00 57.72 57.54 1i5u n HIS 26 Cb 0.52 -2.99 -0.02 0.00 1.12 0.00 0.00 29.99 28.62 1i5u n HIS 26 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1i5u n TYR 27 N -3.91 -0.51 -4.31 4.41 4.01 -1.26 -5.03 117.16 110.57 1i5u n TYR 27 Ca -0.03 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.52 1i5u n TYR 27 Cb 0.55 -2.91 -0.11 0.00 -0.31 0.00 0.00 39.34 36.57 1i5u n TYR 27 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1i5u s LYS 28 N -4.33 1.21 -0.32 -0.72 3.01 0.50 -0.77 119.74 118.32 1i5u s LYS 28 Ca 0.00 -1.42 -0.09 0.00 -1.01 0.00 0.00 55.97 53.44 1i5u s LYS 28 Cb 0.00 -1.09 -0.00 0.00 -1.01 0.00 0.00 37.83 35.73 1i5u s LYS 28 CO 0.00 0.20 0.15 0.08 0.51 0.00 0.00 175.35 176.29 1i5u s VAL 29 N -2.47 4.52 -0.32 3.17 1.01 0.27 -0.83 120.40 125.75 1i5u s VAL 29 Ca 0.16 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 1i5u s VAL 29 Cb -0.03 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 33.04 1i5u s VAL 29 CO 0.05 0.03 0.10 -0.31 0.00 0.00 0.00 175.10 174.97 1i5u s TYR 30 N 1.59 3.20 -0.50 5.22 1.51 -1.05 -1.23 117.35 126.09 1i5u s TYR 30 Ca 0.04 -1.17 -0.29 0.00 -1.01 0.00 0.00 57.07 54.64 1i5u s TYR 30 Cb -0.17 -2.28 0.03 0.00 -0.11 0.00 0.00 41.96 39.43 1i5u s TYR 30 CO 0.06 -0.65 1.21 0.34 -1.11 0.00 0.00 175.55 175.40 1i5u s ASP 31 N 1.46 6.51 -0.14 2.29 2.15 0.21 -3.48 116.67 125.67 1i5u s ASP 31 Ca 0.01 0.42 0.15 0.00 0.43 0.00 0.00 52.55 53.56 1i5u s ASP 31 Cb -0.18 -2.55 0.57 0.00 -0.30 0.00 0.00 42.92 40.46 1i5u s ASP 31 CO 0.03 -1.37 1.49 0.18 -0.17 0.00 0.00 175.17 175.33 1i5u n LEU 32 N 8.26 4.19 -0.08 -1.34 4.77 -0.37 -4.70 117.00 127.72 1i5u n LEU 32 Ca 0.12 -2.70 -0.07 0.00 -0.03 0.00 0.00 56.01 53.33 1i5u n LEU 32 Cb 0.49 -0.52 -0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1i5u n LEU 32 CO 0.72 0.71 0.92 0.74 -1.33 0.00 0.00 177.39 179.14 1i5u h THR 33 N 2.66 0.90 -0.25 -5.08 2.02 -1.87 0.31 112.91 111.59 1i5u h THR 33 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1i5u h THR 33 Cb 1.40 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1i5u h THR 33 CO 0.23 0.04 0.00 1.17 0.37 0.00 0.00 175.52 177.32 1i5u n LYS 34 N -5.05 2.36 -0.00 6.66 4.81 -1.26 -3.55 118.16 122.13 1i5u n LYS 34 Ca -0.00 -1.22 0.02 0.00 -0.87 0.00 0.00 58.31 56.24 1i5u n LYS 34 Cb 0.11 -1.67 -0.03 0.00 0.02 0.00 0.00 35.03 33.46 1i5u n LYS 34 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1i5u n PHE 35 N 0.28 0.00 -0.27 5.64 7.35 0.04 -4.80 117.46 125.69 1i5u n PHE 35 Ca 0.11 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.72 1i5u n PHE 35 Cb 0.54 -0.04 -0.03 0.00 0.35 0.00 0.00 39.48 40.30 1i5u n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1i5u h LEU 36 N 0.00 -1.61 -1.21 -2.13 3.38 -1.44 0.15 115.31 112.46 1i5u h LEU 36 Ca 0.00 0.27 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 1i5u h LEU 36 Cb 0.14 0.74 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1i5u h LEU 36 CO 0.00 -0.31 0.19 -0.33 0.09 0.00 0.00 178.44 178.08 1i5u h GLU 37 N -0.15 0.74 -0.11 1.13 5.08 -1.87 -3.12 114.58 116.29 1i5u h GLU 37 Ca 0.20 -0.11 -0.19 0.00 -1.00 0.00 0.00 59.36 58.26 1i5u h GLU 37 Cb 0.55 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.67 1i5u h GLU 37 CO -0.78 0.62 -0.68 0.93 -1.00 0.00 0.00 179.01 178.10 1i5u h GLU 38 N 0.73 0.65 -6.13 2.33 4.39 -1.32 -3.45 114.58 111.77 1i5u h GLU 38 Ca 0.18 -0.56 -0.60 0.00 0.34 0.00 0.00 59.36 58.72 1i5u h GLU 38 Cb 0.17 0.12 0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1i5u h GLU 38 CO -0.01 1.17 1.32 1.58 -1.16 0.00 0.00 179.01 181.91 1i5u n HIS 39 N -4.07 2.10 0.25 4.33 -0.00 0.32 -4.84 115.22 113.31 1i5u n HIS 39 Ca -0.08 -0.07 0.08 0.00 0.46 0.00 0.00 57.72 58.11 1i5u n HIS 39 Cb 0.70 -2.69 0.62 0.00 -0.12 0.00 0.00 29.99 28.50 1i5u n HIS 39 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1i5u h PRO 40 N 12.13 0.00 0.00 1.57 0.13 -1.89 0.22 132.00 144.16 1i5u h PRO 40 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1i5u h PRO 40 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1i5u h PRO 40 CO 0.96 0.08 0.00 0.41 -0.23 0.00 0.00 178.00 179.22 1i5u n GLY 41 N -1.25 -0.74 0.00 1.56 0.00 -1.26 -5.00 105.19 98.50 1i5u n GLY 41 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1i5u n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i5u n GLY 42 N -0.22 -0.36 0.11 -0.02 0.00 0.07 -4.62 105.19 100.16 1i5u n GLY 42 Ca 0.05 -1.69 -0.19 0.00 0.00 0.00 0.00 46.02 44.20 1i5u n GLY 42 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1i5u h GLU 43 N 0.00 0.30 -0.53 1.61 4.11 -1.81 -3.36 114.58 114.90 1i5u h GLU 43 Ca 0.00 -0.46 0.01 0.00 0.07 0.00 0.00 59.36 58.98 1i5u h GLU 43 Cb 0.00 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1i5u h GLU 43 CO 0.00 1.20 0.35 0.93 0.07 0.00 0.00 179.01 181.56 1i5u h GLU 44 N -0.37 0.67 -0.57 1.06 4.39 -1.93 -0.14 114.58 117.69 1i5u h GLU 44 Ca -0.12 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 1i5u h GLU 44 Cb 1.54 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 30.01 1i5u h GLU 44 CO 0.14 0.45 0.31 0.28 -1.16 0.00 0.00 179.01 179.03 1i5u h VAL 45 N 0.69 1.19 0.14 3.13 2.07 -1.82 0.21 116.25 121.86 1i5u h VAL 45 Ca 0.20 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1i5u h VAL 45 Cb -0.04 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1i5u h VAL 45 CO -0.05 0.20 -0.07 -0.07 0.02 0.00 0.00 177.57 177.60 1i5u h LEU 46 N 0.76 -0.16 -1.40 2.57 4.07 -1.60 -3.33 115.31 116.22 1i5u h LEU 46 Ca 0.20 -0.38 0.13 0.00 0.08 0.00 0.00 57.88 57.91 1i5u h LEU 46 Cb 0.04 0.04 -0.06 0.00 1.08 0.00 0.00 40.66 41.76 1i5u h LEU 46 CO -0.03 0.38 0.53 -0.09 -1.08 0.00 0.00 178.44 178.15 1i5u h ARG 47 N -0.80 0.59 -0.94 1.13 1.12 -0.85 0.27 114.38 114.91 1i5u h ARG 47 Ca -0.02 -0.04 0.10 0.00 -1.11 0.00 0.00 59.98 58.92 1i5u h ARG 47 Cb 0.54 -0.13 -0.08 0.00 -0.01 0.00 0.00 29.97 30.29 1i5u h ARG 47 CO 0.03 0.39 0.58 0.00 -3.11 0.00 0.00 179.97 177.86 1i5u h ALA 48 N 1.62 1.38 0.00 2.80 0.00 -0.70 -2.51 119.26 121.85 1i5u h ALA 48 Ca 0.40 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1i5u h ALA 48 Cb 0.68 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1i5u h ALA 48 CO -0.16 0.21 -1.03 1.96 0.00 0.00 0.00 179.25 180.23 1i5u h GLN 49 N 0.95 0.00 -6.71 0.00 1.08 -0.71 -3.49 115.11 106.23 1i5u h GLN 49 Ca 0.45 0.00 -0.58 0.00 -1.45 0.00 0.00 58.65 57.08 1i5u h GLN 49 Cb 0.40 0.00 0.16 0.00 -0.05 0.00 0.00 27.48 27.99 1i5u h GLN 49 CO -0.25 0.03 0.01 0.00 -0.95 0.00 0.00 178.83 177.67 1i5u n ALA 50 N -2.20 -0.14 0.00 3.87 0.00 0.42 -0.70 120.51 121.76 1i5u n ALA 50 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1i5u n ALA 50 Cb 0.58 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 18.00 1i5u n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i5u n GLY 51 N 1.38 2.89 1.92 0.00 0.00 0.47 -4.78 105.19 107.08 1i5u n GLY 51 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 1i5u n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i5u n GLY 52 N -1.15 3.24 3.79 -0.02 0.00 0.12 -3.94 105.19 107.23 1i5u n GLY 52 Ca 0.00 -2.26 -0.38 0.00 0.00 0.00 0.00 46.02 43.38 1i5u n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i5u s ASP 53 N -2.58 7.26 -0.04 1.61 2.15 -1.26 -0.86 116.67 122.96 1i5u s ASP 53 Ca 0.10 1.59 0.06 0.00 0.43 0.00 0.00 52.55 54.73 1i5u s ASP 53 Cb -0.01 -2.48 0.09 0.00 -0.30 0.00 0.00 42.92 40.22 1i5u s ASP 53 CO 0.07 0.11 0.95 0.00 -0.17 0.00 0.00 175.17 176.13 1i5u n ALA 54 N 1.14 1.89 -0.10 3.66 0.00 -0.10 -4.90 120.51 122.10 1i5u n ALA 54 Ca -0.03 -1.39 -0.10 0.00 0.00 0.00 0.00 53.44 51.92 1i5u n ALA 54 Cb 0.50 -0.30 -0.04 0.00 0.00 0.00 0.00 19.45 19.61 1i5u n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1i5u h THR 55 N 3.12 0.14 -0.59 0.00 2.02 -1.94 0.58 112.91 116.24 1i5u h THR 55 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 1i5u h THR 55 Cb 1.07 0.14 -0.09 0.00 -1.74 0.00 0.00 68.15 67.54 1i5u h THR 55 CO 0.00 0.00 0.10 0.00 0.37 0.00 0.00 175.52 175.99 1i5u h ALA 56 N 0.43 0.66 -0.33 6.16 0.00 -1.95 0.25 119.26 124.48 1i5u h ALA 56 Ca 0.13 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1i5u h ALA 56 Cb 0.58 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1i5u h ALA 56 CO -0.53 -0.33 0.14 -0.91 0.00 0.00 0.00 179.25 177.63 1i5u h ASN 57 N 0.22 0.44 -0.61 0.00 2.35 -1.70 0.16 115.58 116.45 1i5u h ASN 57 Ca 0.31 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1i5u h ASN 57 Cb 0.46 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.69 1i5u h ASN 57 CO -0.42 0.47 0.39 0.15 -1.65 0.00 0.00 177.43 176.37 1i5u h PHE 58 N 0.39 0.78 -0.08 1.19 3.57 0.41 -0.29 116.94 122.91 1i5u h PHE 58 Ca 0.11 0.01 -0.24 0.00 3.53 0.00 0.00 57.97 61.38 1i5u h PHE 58 Cb 0.15 -0.26 0.01 0.00 2.79 0.00 0.00 35.95 38.64 1i5u h PHE 58 CO -0.01 0.51 -0.89 0.93 -2.23 0.00 0.00 178.31 176.63 1i5u h GLU 59 N 0.83 0.70 -0.65 1.11 4.39 -0.91 -2.67 114.58 117.37 1i5u h GLU 59 Ca 0.22 -0.65 0.07 0.00 0.34 0.00 0.00 59.36 59.34 1i5u h GLU 59 Cb -0.06 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 28.69 1i5u h GLU 59 CO -0.04 1.25 0.33 0.00 -1.16 0.00 0.00 179.01 179.39 1i5u h ALA 60 N 0.54 0.87 0.00 3.43 0.00 -0.31 0.15 119.26 123.95 1i5u h ALA 60 Ca -0.08 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1i5u h ALA 60 Cb 1.52 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1i5u h ALA 60 CO 0.18 -0.03 0.00 0.28 0.00 0.00 0.00 179.25 179.67 1i5u n VAL 61 N -4.85 1.05 0.00 0.00 0.31 -0.15 -4.92 118.33 109.76 1i5u n VAL 61 Ca 0.09 0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.68 1i5u n VAL 61 Cb 0.21 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 1i5u n VAL 61 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1i5u n GLY 62 N -0.07 2.14 1.96 2.92 0.00 0.53 -4.86 105.19 107.81 1i5u n GLY 62 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1i5u n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1i5u n HIS 63 N 0.00 -4.50 -1.24 1.61 8.25 -1.26 -4.68 115.22 113.39 1i5u n HIS 63 Ca 0.00 2.71 -0.35 0.00 -0.26 0.00 0.00 57.72 59.82 1i5u n HIS 63 Cb 0.00 -3.56 0.09 0.00 1.12 0.00 0.00 29.99 27.64 1i5u n HIS 63 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1i5u n SER 64 N 1.72 -0.11 -0.32 0.41 7.64 -1.26 -4.62 113.62 117.07 1i5u n SER 64 Ca 0.00 0.61 0.14 0.00 1.01 0.00 0.00 58.87 60.62 1i5u n SER 64 Cb 0.00 -1.35 0.28 0.00 -1.01 0.00 0.00 64.21 62.13 1i5u n SER 64 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1i5u h THR 65 N -0.49 0.11 -0.57 0.44 2.02 -1.99 0.17 112.91 112.61 1i5u h THR 65 Ca -0.46 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1i5u h THR 65 Cb 1.33 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1i5u h THR 65 CO 0.44 0.01 0.37 0.44 0.37 0.00 0.00 175.52 177.16 1i5u h ASP 66 N 0.05 0.66 -0.14 4.18 5.19 -1.98 0.26 116.42 124.64 1i5u h ASP 66 Ca 0.57 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.96 1i5u h ASP 66 Cb 1.18 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.51 1i5u h ASP 66 CO -0.84 0.48 0.07 0.00 -3.12 0.00 0.00 179.24 175.83 1i5u h ALA 67 N 1.20 0.18 -0.40 3.45 0.00 -1.09 0.22 119.26 122.83 1i5u h ALA 67 Ca 0.21 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1i5u h ALA 67 Cb -0.08 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1i5u h ALA 67 CO -0.04 -0.27 0.08 0.00 0.00 0.00 0.00 179.25 179.02 1i5u h ARG 68 N 0.11 0.20 -0.10 0.00 -0.00 -0.25 0.15 114.38 114.49 1i5u h ARG 68 Ca 0.05 -0.01 0.02 0.00 -0.50 0.00 0.00 59.98 59.54 1i5u h ARG 68 Cb 0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 29.97 30.01 1i5u h ARG 68 CO -0.01 0.14 -0.03 0.93 0.00 0.00 0.00 179.97 181.00 1i5u h GLU 69 N 0.21 -0.01 -0.79 0.04 4.39 -0.35 -2.62 114.58 115.45 1i5u h GLU 69 Ca 0.19 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.98 1i5u h GLU 69 Cb 0.23 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.81 1i5u h GLU 69 CO -0.25 -0.01 0.44 1.25 -1.16 0.00 0.00 179.01 179.29 1i5u h LEU 70 N -0.01 0.63 -1.24 1.33 5.85 0.29 -0.06 115.31 122.11 1i5u h LEU 70 Ca 0.05 0.05 0.26 0.00 0.84 0.00 0.00 57.88 59.08 1i5u h LEU 70 Cb 0.09 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 40.94 1i5u h LEU 70 CO -0.11 0.37 0.65 0.28 -0.34 0.00 0.00 178.44 179.28 1i5u h SER 71 N 0.76 0.53 -0.99 1.25 0.02 -0.34 0.68 113.55 115.46 1i5u h SER 71 Ca 0.38 0.10 0.10 0.00 -0.84 0.00 0.00 61.79 61.53 1i5u h SER 71 Cb 0.34 0.02 -0.08 0.00 0.14 0.00 0.00 62.40 62.82 1i5u h SER 71 CO -0.24 0.09 0.62 0.11 -1.14 0.00 0.00 176.83 176.27 1i5u h LYS 72 N 0.46 1.01 -0.12 3.45 1.57 -0.92 0.72 116.57 122.73 1i5u h LYS 72 Ca 0.62 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 59.37 1i5u h LYS 72 Cb 1.42 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 1i5u h LYS 72 CO -0.36 0.67 0.21 1.15 -0.57 0.00 0.00 179.45 180.54 1i5u h THR 73 N 1.04 0.28 -0.01 -0.16 2.02 -0.94 -0.42 112.91 114.73 1i5u h THR 73 Ca 0.47 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.65 1i5u h THR 73 Cb 0.37 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1i5u h THR 73 CO -0.23 0.00 -0.63 0.49 0.37 0.00 0.00 175.52 175.52 1i5u n PHE 74 N -3.48 0.00 -1.80 3.16 3.72 0.19 -4.89 117.46 114.36 1i5u n PHE 74 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 1i5u n PHE 74 Cb 0.31 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.82 1i5u n PHE 74 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1i5u s ILE 75 N -2.51 3.23 -0.44 4.37 1.01 -0.17 -0.62 121.20 126.07 1i5u s ILE 75 Ca 0.13 0.22 0.22 0.00 0.00 0.00 0.00 60.65 61.22 1i5u s ILE 75 Cb 0.16 -3.35 -0.28 0.00 0.01 0.00 0.00 42.46 39.00 1i5u s ILE 75 CO 0.63 -0.25 0.69 2.30 0.00 0.00 0.00 174.94 178.32 1i5u n ILE 76 N 7.60 0.02 -3.99 2.92 -5.35 -0.37 -4.97 119.36 115.23 1i5u n ILE 76 Ca 0.27 -0.29 0.04 0.00 -0.27 0.00 0.00 62.75 62.50 1i5u n ILE 76 Cb 0.47 0.39 0.01 0.00 -1.74 0.00 0.00 39.64 38.77 1i5u n ILE 76 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1i5u s GLY 77 N -3.88 -0.20 0.33 3.28 0.00 -1.20 -4.43 107.32 101.22 1i5u s GLY 77 Ca -0.01 0.17 0.06 0.00 0.00 0.00 0.00 44.72 44.94 1i5u s GLY 77 CO 0.88 6.03 0.47 -0.54 0.00 0.00 0.00 173.10 179.94 1i5u s GLU 78 N -2.02 3.15 0.15 2.90 2.02 0.49 -0.56 118.70 124.83 1i5u s GLU 78 Ca 0.30 -0.96 -0.31 0.00 0.02 0.00 0.00 54.97 54.02 1i5u s GLU 78 Cb 0.00 -2.82 -0.09 0.00 0.10 0.00 0.00 34.13 31.33 1i5u s GLU 78 CO -0.02 0.09 1.46 -1.17 0.02 0.00 0.00 175.26 175.63 1i5u s LEU 79 N -4.17 4.37 0.27 1.80 2.96 0.05 -0.81 118.68 123.16 1i5u s LEU 79 Ca 0.44 2.48 -0.30 0.00 -0.22 0.00 0.00 54.13 56.53 1i5u s LEU 79 Cb -0.09 -3.59 -0.13 0.00 0.50 0.00 0.00 46.19 42.87 1i5u s LEU 79 CO 0.31 -0.72 1.39 1.57 -1.32 0.00 0.00 176.35 177.58 1i5u n HIS 80 N 3.72 2.25 -0.17 5.38 -0.00 0.42 -4.74 115.22 122.09 1i5u n HIS 80 Ca 0.12 0.45 0.10 0.00 0.46 0.00 0.00 57.72 58.85 1i5u n HIS 80 Cb 0.41 -2.46 0.42 0.00 -0.12 0.00 0.00 29.99 28.24 1i5u n HIS 80 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1i5u h PRO 81 N 3.77 0.58 -0.73 1.57 0.13 -1.93 0.43 132.00 135.82 1i5u h PRO 81 Ca -0.45 -0.03 0.21 0.00 -0.87 0.00 0.00 66.00 64.85 1i5u h PRO 81 Cb 1.27 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 1i5u h PRO 81 CO 0.72 0.38 0.56 -0.44 -0.23 0.00 0.00 178.00 179.00 1i5u h ASP 82 N 0.60 0.00 0.07 1.44 5.19 -1.99 0.60 116.42 122.33 1i5u h ASP 82 Ca 0.33 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.74 1i5u h ASP 82 Cb 0.50 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.01 1i5u h ASP 82 CO -0.12 0.00 -0.44 0.47 -3.12 0.00 0.00 179.24 176.04 1i5u n ASP 83 N -4.16 1.64 -0.87 6.45 8.00 0.13 -5.13 116.55 122.60 1i5u n ASP 83 Ca 0.15 -1.27 0.12 0.00 0.71 0.00 0.00 54.79 54.50 1i5u n ASP 83 Cb 0.84 0.39 0.18 0.00 -0.02 0.00 0.00 41.12 42.51 1i5u n ASP 83 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67