#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5l s ARG 4 N 0.00 0.59 0.12 -0.52 1.81 -1.26 -5.08 118.95 114.60 1i5l s ARG 4 Ca 0.00 1.18 -0.24 0.00 -1.72 0.00 0.00 55.73 54.94 1i5l s ARG 4 Cb 0.00 0.38 -0.06 0.00 -0.45 0.00 0.00 34.95 34.82 1i5l s ARG 4 CO 0.00 -0.15 1.42 -1.35 -0.68 0.00 0.00 175.30 174.54 1i5l h PRO 5 N 7.22 -0.10 -0.36 3.54 0.11 -2.06 0.67 132.00 141.01 1i5l h PRO 5 Ca -0.25 0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.97 1i5l h PRO 5 Cb 1.18 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1i5l h PRO 5 CO 0.14 -0.07 0.45 -0.07 -0.21 0.00 0.00 178.00 178.24 1i5l h LEU 6 N -0.11 0.00 -0.55 2.35 3.38 -2.00 0.15 115.31 118.53 1i5l h LEU 6 Ca 0.10 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 1i5l h LEU 6 Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1i5l h LEU 6 CO -0.63 0.00 -0.71 0.44 0.09 0.00 0.00 178.44 177.62 1i5l h ASP 7 N 0.00 0.13 -0.06 -0.43 5.19 -1.29 -2.75 116.42 117.21 1i5l h ASP 7 Ca 0.17 -0.09 -0.19 0.00 -0.62 0.00 0.00 57.03 56.30 1i5l h ASP 7 Cb 1.07 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.54 1i5l h ASP 7 CO -0.00 0.80 -0.66 0.58 -3.12 0.00 0.00 179.24 176.83 1i5l h VAL 8 N 0.07 1.31 0.27 -1.35 2.07 -0.54 -1.99 116.25 116.08 1i5l h VAL 8 Ca -0.02 -1.91 -0.00 0.00 0.82 0.00 0.00 66.70 65.60 1i5l h VAL 8 Cb 1.26 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 1i5l h VAL 8 CO 0.10 0.60 -0.22 -0.07 0.02 0.00 0.00 177.57 178.00 1i5l h LEU 9 N 0.49 -0.57 -1.79 2.57 3.38 -1.47 -1.79 115.31 116.14 1i5l h LEU 9 Ca -0.02 0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.17 1i5l h LEU 9 Cb 1.25 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 42.15 1i5l h LEU 9 CO 0.13 -0.33 0.48 -1.13 0.09 0.00 0.00 178.44 177.68 1i5l h ASN 10 N -0.50 0.19 0.00 -0.43 -0.73 -1.43 0.86 115.58 113.55 1i5l h ASN 10 Ca -0.01 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1i5l h ASN 10 Cb 0.44 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.01 1i5l h ASN 10 CO -0.02 0.10 0.00 0.54 -0.37 0.00 0.00 177.43 177.68 1i5l n ARG 11 N -4.42 0.80 0.00 6.67 1.74 -0.69 -2.74 116.66 118.03 1i5l n ARG 11 Ca 0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 1i5l n ARG 11 Cb 0.63 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 1i5l n ARG 11 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1i5l n SER 12 N -0.79 1.30 -4.70 0.55 7.64 0.30 -5.04 113.62 112.87 1i5l n SER 12 Ca 0.11 -1.33 -0.42 0.00 1.01 0.00 0.00 58.87 58.24 1i5l n SER 12 Cb 0.05 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.22 1i5l n SER 12 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1i5l n LEU 13 N -0.17 4.05 0.00 -3.43 4.77 -1.11 -1.79 117.00 119.33 1i5l n LEU 13 Ca 0.00 1.02 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 1i5l n LEU 13 Cb 0.09 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 39.62 1i5l n LEU 13 CO 0.00 0.19 0.00 0.29 -1.33 0.00 0.00 177.39 176.54 1i5l n LYS 14 N 4.94 0.00 -4.23 3.23 5.02 -0.07 -5.02 118.16 122.03 1i5l n LYS 14 Ca 0.17 0.43 -0.17 0.00 -2.02 0.00 0.00 58.31 56.72 1i5l n LYS 14 Cb 0.36 -3.80 -0.11 0.00 -0.02 0.00 0.00 35.03 31.46 1i5l n LYS 14 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1i5l s SER 15 N -2.96 1.89 0.40 4.39 1.04 -0.74 -4.92 113.70 112.79 1i5l s SER 15 Ca 0.00 -0.84 -0.26 0.00 0.48 0.00 0.00 55.95 55.33 1i5l s SER 15 Cb 0.00 -0.05 -0.09 0.00 0.10 0.00 0.00 66.02 65.98 1i5l s SER 15 CO 0.00 -0.19 1.29 -2.16 0.98 0.00 0.00 173.24 173.16 1i5l s PRO 16 N -2.82 4.01 0.23 4.02 0.04 -1.26 -2.14 135.00 137.08 1i5l s PRO 16 Ca 0.09 2.13 -0.09 0.00 0.04 0.00 0.00 61.00 63.17 1i5l s PRO 16 Cb -0.04 -2.78 -0.02 0.00 0.04 0.00 0.00 34.50 31.71 1i5l s PRO 16 CO 0.02 -0.45 0.36 0.14 0.04 0.00 0.00 177.00 177.12 1i5l s VAL 17 N -1.27 0.00 -0.08 -0.36 -7.23 0.05 -3.05 120.40 108.47 1i5l s VAL 17 Ca 0.56 -1.61 0.01 0.00 -1.81 0.00 0.00 61.98 59.13 1i5l s VAL 17 Cb -0.37 -2.31 0.02 0.00 0.56 0.00 0.00 36.38 34.27 1i5l s VAL 17 CO 0.48 0.00 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.54 1i5l s ILE 18 N -4.05 1.06 -0.16 -0.62 1.01 -0.55 -2.29 121.20 115.61 1i5l s ILE 18 Ca 0.28 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.53 1i5l s ILE 18 Cb 0.02 -1.01 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 1i5l s ILE 18 CO 0.10 0.35 -0.10 -0.69 0.00 0.00 0.00 174.94 174.60 1i5l s VAL 19 N 1.06 3.20 -0.21 2.92 1.01 0.74 -2.15 120.40 126.98 1i5l s VAL 19 Ca -0.07 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 1i5l s VAL 19 Cb -0.15 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1i5l s VAL 19 CO -0.01 0.50 0.03 -0.60 0.00 0.00 0.00 175.10 175.02 1i5l s ARG 20 N 0.64 3.69 0.14 2.72 3.52 -0.88 0.24 118.95 129.01 1i5l s ARG 20 Ca -0.06 -0.48 0.05 0.00 -0.13 0.00 0.00 55.73 55.11 1i5l s ARG 20 Cb -0.15 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.04 1i5l s ARG 20 CO 0.03 0.01 0.07 -0.51 -0.81 0.00 0.00 175.30 174.09 1i5l s LEU 21 N 1.03 3.64 0.81 -0.88 1.43 -0.68 -0.55 118.68 123.49 1i5l s LEU 21 Ca 0.03 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 52.83 1i5l s LEU 21 Cb -0.14 -2.30 0.09 0.00 0.03 0.00 0.00 46.19 43.87 1i5l s LEU 21 CO 0.02 0.11 1.16 -1.59 0.23 0.00 0.00 176.35 176.29 1i5l s LYS 22 N -2.80 1.68 0.00 1.70 -2.85 -0.98 -2.59 119.74 113.89 1i5l s LYS 22 Ca 0.29 1.58 0.00 0.00 -1.00 0.00 0.00 55.97 56.84 1i5l s LYS 22 Cb -0.11 -1.80 0.00 0.00 -2.06 0.00 0.00 37.83 33.87 1i5l s LYS 22 CO 0.21 -2.15 0.00 0.41 0.10 0.00 0.00 175.35 173.92 1i5l n GLY 23 N 0.07 3.08 0.00 0.59 0.00 -1.26 -4.58 105.19 103.09 1i5l n GLY 23 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1i5l n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i5l n GLY 24 N -0.58 3.56 3.73 -0.02 0.00 -1.07 -5.13 105.19 105.67 1i5l n GLY 24 Ca 0.00 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 1i5l n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i5l s ARG 25 N 0.00 2.36 0.39 1.61 0.52 -1.26 -4.74 118.95 117.83 1i5l s ARG 25 Ca 0.00 1.72 0.07 0.00 -0.52 0.00 0.00 55.73 57.00 1i5l s ARG 25 Cb 0.00 -1.86 -0.08 0.00 0.52 0.00 0.00 34.95 33.53 1i5l s ARG 25 CO 0.00 -1.66 0.00 -1.21 0.02 0.00 0.00 175.30 172.45 1i5l s GLU 26 N -3.85 1.90 -0.01 3.54 2.02 -0.33 -1.69 118.70 120.27 1i5l s GLU 26 Ca 0.74 -2.06 0.01 0.00 0.02 0.00 0.00 54.97 53.68 1i5l s GLU 26 Cb -0.28 -1.55 0.01 0.00 0.10 0.00 0.00 34.13 32.41 1i5l s GLU 26 CO 0.43 -0.04 -0.04 -0.06 0.02 0.00 0.00 175.26 175.57 1i5l s PHE 27 N -2.77 0.45 -0.09 1.61 0.40 0.14 -1.17 117.98 116.54 1i5l s PHE 27 Ca 0.35 -0.08 0.02 0.00 -0.60 0.00 0.00 56.93 56.62 1i5l s PHE 27 Cb 0.09 -0.35 0.01 0.00 0.51 0.00 0.00 43.02 43.27 1i5l s PHE 27 CO 0.17 -0.06 -0.16 1.03 0.70 0.00 0.00 175.22 176.91 1i5l s ARG 28 N 0.25 2.21 0.00 0.44 0.52 -0.61 -0.18 118.95 121.58 1i5l s ARG 28 Ca -0.03 -0.58 0.00 0.00 -0.52 0.00 0.00 55.73 54.61 1i5l s ARG 28 Cb -0.06 -1.80 0.00 0.00 0.52 0.00 0.00 34.95 33.61 1i5l s ARG 28 CO -0.00 0.03 0.00 0.41 0.02 0.00 0.00 175.30 175.75 1i5l n GLY 29 N 3.90 -1.28 3.65 -3.53 0.00 -0.97 -1.21 105.19 105.75 1i5l n GLY 29 Ca -0.20 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.52 1i5l n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i5l s THR 30 N -2.88 5.06 0.01 2.61 2.01 -0.89 -0.77 115.64 120.80 1i5l s THR 30 Ca 0.00 1.01 -0.30 0.00 0.31 0.00 0.00 61.69 62.71 1i5l s THR 30 Cb 0.00 -3.87 -0.06 0.00 0.01 0.00 0.00 72.50 68.57 1i5l s THR 30 CO 0.00 0.12 1.54 -0.22 -0.69 0.00 0.00 174.62 175.38 1i5l s LEU 31 N 1.96 4.33 -0.21 4.42 2.96 -0.91 -1.15 118.68 130.08 1i5l s LEU 31 Ca 0.25 2.27 -0.08 0.00 -0.22 0.00 0.00 54.13 56.34 1i5l s LEU 31 Cb -0.16 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.88 1i5l s LEU 31 CO 0.09 -0.83 -0.26 -0.67 -1.32 0.00 0.00 176.35 173.37 1i5l n ASP 32 N 5.84 1.66 -2.65 3.68 2.03 0.34 -0.89 116.55 126.55 1i5l n ASP 32 Ca 0.15 0.19 -0.11 0.00 0.52 0.00 0.00 54.79 55.54 1i5l n ASP 32 Cb 0.42 -0.57 -0.01 0.00 -0.72 0.00 0.00 41.12 40.25 1i5l n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i5l n GLY 33 N 1.83 1.87 3.60 0.27 0.00 -1.20 -4.77 105.19 106.79 1i5l n GLY 33 Ca -0.40 -1.46 -0.04 0.00 0.00 0.00 0.00 46.02 44.12 1i5l n GLY 33 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1i5l s TYR 34 N -3.21 -0.14 0.31 1.61 -0.85 -1.26 -1.92 117.35 111.89 1i5l s TYR 34 Ca 0.21 0.05 0.06 0.00 -0.52 0.00 0.00 57.07 56.88 1i5l s TYR 34 Cb -0.02 0.53 -0.02 0.00 0.38 0.00 0.00 41.96 42.83 1i5l s TYR 34 CO 0.15 -0.31 0.22 -0.40 -1.52 0.00 0.00 175.55 173.69 1i5l n ASP 35 N -0.23 -0.18 -0.23 -0.18 5.68 -1.09 -4.93 116.55 115.41 1i5l n ASP 35 Ca -0.03 -2.94 0.21 0.00 -0.50 0.00 0.00 54.79 51.53 1i5l n ASP 35 Cb 0.60 1.34 0.56 0.00 -1.14 0.00 0.00 41.12 42.48 1i5l n ASP 35 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 1i5l h ILE 36 N 1.86 0.64 0.00 2.12 3.07 -2.04 1.29 117.51 124.46 1i5l h ILE 36 Ca -0.23 -0.11 0.00 0.00 1.55 0.00 0.00 64.86 66.08 1i5l h ILE 36 Cb 1.07 0.31 0.00 0.00 -0.27 0.00 0.00 36.82 37.92 1i5l h ILE 36 CO 0.34 0.06 0.00 1.41 -1.05 0.00 0.00 178.15 178.91 1i5l n HIS 37 N -4.46 0.00 -2.25 0.16 8.25 -1.26 -4.87 115.22 110.79 1i5l n HIS 37 Ca 0.19 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.47 1i5l n HIS 37 Cb 0.76 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.85 1i5l n HIS 37 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1i5l n MET 38 N -0.72 -1.76 -2.18 -0.41 1.56 0.44 -3.92 117.12 110.13 1i5l n MET 38 Ca 0.10 0.93 -0.35 0.00 -0.27 0.00 0.00 57.70 58.11 1i5l n MET 38 Cb 0.05 -5.53 0.01 0.00 2.15 0.00 0.00 33.22 29.90 1i5l n MET 38 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1i5l s ASN 39 N -2.14 5.58 0.18 6.12 0.01 -1.25 -3.92 114.94 119.52 1i5l s ASN 39 Ca 0.00 2.20 0.07 0.00 -0.71 0.00 0.00 52.86 54.42 1i5l s ASN 39 Cb 0.00 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 1i5l s ASN 39 CO 0.00 -1.32 -0.14 -0.76 -1.51 0.00 0.00 177.10 173.37 1i5l s LEU 40 N -3.93 2.51 -0.09 0.60 1.43 -0.44 -2.66 118.68 116.11 1i5l s LEU 40 Ca 0.73 -0.96 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1i5l s LEU 40 Cb -0.25 -0.62 0.02 0.00 0.03 0.00 0.00 46.19 45.37 1i5l s LEU 40 CO 0.29 -0.17 -0.12 -0.69 0.23 0.00 0.00 176.35 175.89 1i5l s VAL 41 N -2.76 1.18 0.09 -1.59 1.01 -0.81 -0.55 120.40 116.97 1i5l s VAL 41 Ca 0.18 -0.46 0.10 0.00 0.00 0.00 0.00 61.98 61.80 1i5l s VAL 41 Cb -0.02 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1i5l s VAL 41 CO 0.05 0.37 -0.26 -0.76 0.00 0.00 0.00 175.10 174.50 1i5l s LEU 42 N 0.98 2.28 -0.09 3.92 1.43 -0.17 -0.50 118.68 126.52 1i5l s LEU 42 Ca -0.08 -0.67 0.04 0.00 -1.03 0.00 0.00 54.13 52.38 1i5l s LEU 42 Cb -0.15 -1.26 -0.00 0.00 0.03 0.00 0.00 46.19 44.80 1i5l s LEU 42 CO -0.00 0.21 -0.23 -0.76 0.23 0.00 0.00 176.35 175.80 1i5l s LEU 43 N -1.73 2.13 -0.68 1.79 1.43 -0.30 -1.54 118.68 119.79 1i5l s LEU 43 Ca 0.13 -0.53 -0.05 0.00 -1.03 0.00 0.00 54.13 52.65 1i5l s LEU 43 Cb -0.10 -1.42 0.01 0.00 0.03 0.00 0.00 46.19 44.71 1i5l s LEU 43 CO 0.05 0.18 0.66 0.47 0.23 0.00 0.00 176.35 177.94 1i5l n ASP 44 N 3.36 -7.26 -4.45 2.29 9.92 -0.27 -2.08 116.55 118.06 1i5l n ASP 44 Ca -0.19 -0.10 -0.24 0.00 -0.53 0.00 0.00 54.79 53.74 1i5l n ASP 44 Cb 0.53 -4.59 -0.10 0.00 -0.64 0.00 0.00 41.12 36.32 1i5l n ASP 44 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i5l s ALA 45 N -2.85 2.65 -0.02 2.24 0.00 -0.51 -4.28 121.76 119.00 1i5l s ALA 45 Ca 0.07 -1.83 0.05 0.00 0.00 0.00 0.00 51.96 50.25 1i5l s ALA 45 Cb -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 1i5l s ALA 45 CO 0.78 0.28 -0.18 -1.21 0.00 0.00 0.00 175.76 175.43 1i5l s GLU 46 N -3.42 1.55 -0.48 0.00 2.02 -0.35 -0.48 118.70 117.54 1i5l s GLU 46 Ca 0.28 -0.63 -0.18 0.00 0.02 0.00 0.00 54.97 54.46 1i5l s GLU 46 Cb -0.05 -1.44 0.05 0.00 0.10 0.00 0.00 34.13 32.79 1i5l s GLU 46 CO 0.14 0.34 0.55 -2.00 0.02 0.00 0.00 175.26 174.31 1i5l s GLU 47 N -0.27 3.10 -0.06 1.61 2.12 1.00 -1.57 118.70 124.63 1i5l s GLU 47 Ca 0.03 -0.94 -0.12 0.00 0.36 0.00 0.00 54.97 54.31 1i5l s GLU 47 Cb -0.08 -4.08 -0.05 0.00 0.26 0.00 0.00 34.13 30.18 1i5l s GLU 47 CO 0.00 -1.12 0.30 0.96 -0.54 0.00 0.00 175.26 174.86 1i5l s ILE 48 N 2.37 5.23 -0.06 -3.70 -4.36 -0.32 -0.04 121.20 120.32 1i5l s ILE 48 Ca 0.13 0.58 0.00 0.00 -0.26 0.00 0.00 60.65 61.10 1i5l s ILE 48 Cb -0.20 -3.59 0.02 0.00 1.25 0.00 0.00 42.46 39.95 1i5l s ILE 48 CO 0.11 0.58 -0.04 -1.58 0.24 0.00 0.00 174.94 174.25 1i5l s GLN 49 N -0.95 0.91 -1.07 0.37 0.74 -0.75 -1.19 119.66 117.72 1i5l s GLN 49 Ca 0.20 -0.09 0.00 0.00 0.05 0.00 0.00 55.36 55.52 1i5l s GLN 49 Cb -0.15 -0.99 0.00 0.00 1.10 0.00 0.00 33.01 32.97 1i5l s GLN 49 CO 0.09 -0.15 0.00 0.09 -0.55 0.00 0.00 175.29 174.77 1i5l n ASN 50 N 4.41 -2.88 0.00 6.67 5.03 -1.26 -0.11 115.26 127.12 1i5l n ASN 50 Ca -0.19 0.26 0.00 0.00 0.87 0.00 0.00 54.58 55.52 1i5l n ASN 50 Cb 0.51 -2.73 0.00 0.00 -1.02 0.00 0.00 39.78 36.53 1i5l n ASN 50 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1i5l n GLY 51 N -0.29 0.69 3.39 7.41 0.00 -1.26 -5.08 105.19 110.04 1i5l n GLY 51 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1i5l n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i5l s GLU 52 N -0.88 3.28 -0.08 1.61 2.02 0.85 -5.05 118.70 120.43 1i5l s GLU 52 Ca 0.00 -0.69 -0.29 0.00 0.02 0.00 0.00 54.97 54.01 1i5l s GLU 52 Cb 0.00 -2.60 -0.07 0.00 0.10 0.00 0.00 34.13 31.56 1i5l s GLU 52 CO 0.00 0.27 2.09 0.28 0.02 0.00 0.00 175.26 177.92 1i5l n VAL 53 N 3.36 0.58 0.85 2.63 0.31 -1.26 -1.81 118.33 122.99 1i5l n VAL 53 Ca -0.18 -0.29 0.09 0.00 -0.01 0.00 0.00 64.34 63.96 1i5l n VAL 53 Cb 0.53 -2.42 -0.00 0.00 -0.91 0.00 0.00 33.84 31.03 1i5l n VAL 53 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1i5l n VAL 54 N 6.55 0.00 0.00 2.52 0.31 0.94 -4.94 118.33 123.71 1i5l n VAL 54 Ca 0.25 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1i5l n VAL 54 Cb 0.42 1.23 0.00 0.00 -0.91 0.00 0.00 33.84 34.58 1i5l n VAL 54 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1i5l n ARG 55 N -0.05 0.00 -4.82 5.55 0.63 -1.17 -4.88 116.66 111.93 1i5l n ARG 55 Ca 0.08 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.69 1i5l n ARG 55 Cb 0.40 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.18 1i5l n ARG 55 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1i5l s LYS 56 N -0.93 2.29 -0.00 -0.14 1.02 -1.26 -0.00 119.74 120.71 1i5l s LYS 56 Ca 0.00 -0.83 -0.04 0.00 0.02 0.00 0.00 55.97 55.11 1i5l s LYS 56 Cb 0.00 -2.28 -0.00 0.00 -0.52 0.00 0.00 37.83 35.03 1i5l s LYS 56 CO 0.00 0.58 0.08 0.14 -0.92 0.00 0.00 175.35 175.24 1i5l s VAL 57 N -0.81 0.07 0.49 3.17 -7.23 0.37 -5.00 120.40 111.46 1i5l s VAL 57 Ca 0.13 -0.57 0.25 0.00 -1.81 0.00 0.00 61.98 59.98 1i5l s VAL 57 Cb -0.11 -0.31 0.29 0.00 0.56 0.00 0.00 36.38 36.81 1i5l s VAL 57 CO 0.03 -0.31 2.12 1.23 -0.31 0.00 0.00 175.10 177.86 1i5l h GLY 58 N 4.83 0.00 0.00 2.32 0.00 -1.94 -1.34 103.07 106.95 1i5l h GLY 58 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1i5l h GLY 58 CO 0.42 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.82 1i5l n SER 59 N -3.92 0.00 -3.97 0.19 3.41 -1.26 -1.11 113.62 106.96 1i5l n SER 59 Ca -0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.50 1i5l n SER 59 Cb 0.18 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.02 1i5l n SER 59 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1i5l s VAL 60 N -2.00 0.13 -0.34 -3.33 -7.23 -0.59 -4.95 120.40 102.09 1i5l s VAL 60 Ca 0.00 -1.07 -0.03 0.00 -1.81 0.00 0.00 61.98 59.07 1i5l s VAL 60 Cb 0.00 -0.61 0.07 0.00 0.56 0.00 0.00 36.38 36.39 1i5l s VAL 60 CO 0.00 -0.59 0.08 -0.69 -0.31 0.00 0.00 175.10 173.59 1i5l s VAL 61 N -2.08 3.22 -0.29 1.32 1.01 -1.26 -1.00 120.40 121.32 1i5l s VAL 61 Ca -0.10 -1.54 -0.16 0.00 0.00 0.00 0.00 61.98 60.19 1i5l s VAL 61 Cb -0.05 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1i5l s VAL 61 CO -0.03 -0.29 0.41 -0.63 0.00 0.00 0.00 175.10 174.56 1i5l s ILE 62 N 1.25 5.14 0.05 2.22 1.01 0.29 -4.95 121.20 126.21 1i5l s ILE 62 Ca -0.01 0.52 -0.33 0.00 0.00 0.00 0.00 60.65 60.83 1i5l s ILE 62 Cb -0.21 -3.77 -0.12 0.00 0.01 0.00 0.00 42.46 38.38 1i5l s ILE 62 CO -0.01 0.07 1.76 0.54 0.00 0.00 0.00 174.94 177.29 1i5l n ARG 63 N 5.42 2.29 -0.21 2.79 5.12 -1.26 -1.33 116.66 129.49 1i5l n ARG 63 Ca -0.07 0.83 0.02 0.00 -1.93 0.00 0.00 57.85 56.69 1i5l n ARG 63 Cb 0.50 -2.66 0.12 0.00 -1.16 0.00 0.00 32.46 29.26 1i5l n ARG 63 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1i5l h GLY 64 N 7.86 0.79 0.32 -0.13 0.00 -1.68 -0.39 103.07 109.84 1i5l h GLY 64 Ca -0.47 -0.01 0.08 0.00 0.00 0.00 0.00 47.33 46.93 1i5l h GLY 64 CO 0.92 -0.14 0.76 -1.80 0.00 0.00 0.00 176.54 176.28 1i5l h ASP 65 N 0.24 0.00 0.00 0.19 -0.00 -1.88 0.68 116.42 115.65 1i5l h ASP 65 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.36 1i5l h ASP 65 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.85 1i5l h ASP 65 CO -0.44 0.00 -0.22 0.41 -0.00 0.00 0.00 179.24 178.98 1i5l n THR 66 N -2.96 0.00 -2.97 2.25 -1.04 -0.16 -4.97 114.28 104.43 1i5l n THR 66 Ca 0.05 -0.34 -0.32 0.00 -2.04 0.00 0.00 64.05 61.40 1i5l n THR 66 Cb 0.87 1.21 -0.06 0.00 -1.82 0.00 0.00 70.33 70.53 1i5l n THR 66 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1i5l s VAL 67 N -2.25 4.61 0.00 12.58 1.01 0.24 -2.32 120.40 134.28 1i5l s VAL 67 Ca 0.25 1.05 -0.05 0.00 0.00 0.00 0.00 61.98 63.23 1i5l s VAL 67 Cb 0.19 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 1i5l s VAL 67 CO 0.44 -0.30 -0.10 0.52 0.00 0.00 0.00 175.10 175.66 1i5l n VAL 68 N -0.64 1.14 -3.59 2.92 0.31 0.29 -4.74 118.33 114.02 1i5l n VAL 68 Ca 0.04 0.25 -0.14 0.00 -0.01 0.00 0.00 64.34 64.49 1i5l n VAL 68 Cb 0.54 -1.76 -0.06 0.00 -0.91 0.00 0.00 33.84 31.65 1i5l n VAL 68 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1i5l s PHE 69 N -2.23 -0.42 -0.06 3.52 -0.12 -1.16 -5.02 117.98 112.50 1i5l s PHE 69 Ca -0.08 0.50 0.05 0.00 -0.05 0.00 0.00 56.93 57.34 1i5l s PHE 69 Cb 0.02 0.32 -0.00 0.00 -0.63 0.00 0.00 43.02 42.73 1i5l s PHE 69 CO 0.12 -0.62 -0.21 0.08 -0.05 0.00 0.00 175.22 174.54 1i5l s VAL 70 N -2.26 1.73 0.01 -2.49 1.01 -1.26 -2.08 120.40 115.06 1i5l s VAL 70 Ca -0.06 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1i5l s VAL 70 Cb -0.01 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 1i5l s VAL 70 CO -0.00 0.49 -0.04 -0.94 0.00 0.00 0.00 175.10 174.61 1i5l s SER 71 N 0.12 0.45 0.86 3.32 1.04 -0.91 -4.98 113.70 113.59 1i5l s SER 71 Ca -0.08 -0.24 -0.12 0.00 0.48 0.00 0.00 55.95 55.99 1i5l s SER 71 Cb -0.14 0.00 0.11 0.00 0.10 0.00 0.00 66.02 66.09 1i5l s SER 71 CO 0.04 -0.07 1.10 -2.84 0.98 0.00 0.00 173.24 172.45 1i5l s PRO 72 N -0.64 1.58 0.00 4.02 0.02 -1.26 -1.48 135.00 137.23 1i5l s PRO 72 Ca -0.04 0.59 0.00 0.00 0.02 0.00 0.00 61.00 61.56 1i5l s PRO 72 Cb -0.05 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.61 1i5l s PRO 72 CO -0.00 -1.96 0.00 0.00 -0.33 0.00 0.00 177.00 174.71