#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f5j s LEU 2 N 0.00 4.48 0.00 0.00 1.43 0.13 -4.89 118.68 119.82 1f5j s LEU 2 Ca 0.00 1.05 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 1f5j s LEU 2 Cb 0.00 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.53 1f5j s LEU 2 CO 0.00 0.29 0.09 0.35 0.23 0.00 0.00 176.35 177.31 1f5j n THR 3 N 1.92 0.00 -4.19 5.49 -2.24 -1.26 -0.87 114.28 113.13 1f5j n THR 3 Ca -0.12 -0.14 -0.11 0.00 -2.27 0.00 0.00 64.05 61.40 1f5j n THR 3 Cb 0.52 1.44 -0.10 0.00 -2.10 0.00 0.00 70.33 70.09 1f5j n THR 3 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1f5j s SER 4 N -0.11 1.04 -0.12 3.42 0.01 -1.26 -4.46 113.70 112.22 1f5j s SER 4 Ca 0.00 -1.09 -0.40 0.00 1.31 0.00 0.00 55.95 55.77 1f5j s SER 4 Cb 0.00 0.13 -0.18 0.00 0.21 0.00 0.00 66.02 66.19 1f5j s SER 4 CO 0.00 -0.54 1.44 0.59 0.41 0.00 0.00 173.24 175.14 1f5j n ASN 5 N -0.12 1.46 -3.49 2.44 3.02 -1.26 -4.83 115.26 112.48 1f5j n ASN 5 Ca -0.09 1.12 -0.13 0.00 -0.03 0.00 0.00 54.58 55.45 1f5j n ASN 5 Cb 0.62 -1.08 -0.04 0.00 -0.61 0.00 0.00 39.78 38.68 1f5j n ASN 5 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f5j s ALA 6 N 1.63 -1.75 0.22 5.41 0.00 -0.76 -4.99 121.76 121.51 1f5j s ALA 6 Ca 0.93 1.04 -0.14 0.00 0.00 0.00 0.00 51.96 53.79 1f5j s ALA 6 Cb -1.13 0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.25 1f5j s ALA 6 CO 0.59 -0.55 0.46 -1.54 0.00 0.00 0.00 175.76 174.73 1f5j s SER 7 N -1.92 -0.12 0.00 0.00 1.04 -1.26 -0.79 113.70 110.64 1f5j s SER 7 Ca -0.03 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.64 1f5j s SER 7 Cb -0.01 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1f5j s SER 7 CO -0.02 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.73 1f5j n GLY 8 N -0.34 -0.74 3.05 7.32 0.00 -0.70 -4.98 105.19 108.81 1f5j n GLY 8 Ca -0.05 -1.10 -0.21 0.00 0.00 0.00 0.00 46.02 44.65 1f5j n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f5j s THR 9 N -3.00 0.96 -0.03 2.61 2.01 -1.26 0.01 115.64 116.94 1f5j s THR 9 Ca 0.00 -0.48 -0.00 0.00 0.31 0.00 0.00 61.69 61.51 1f5j s THR 9 Cb 0.00 -0.83 0.03 0.00 0.01 0.00 0.00 72.50 71.71 1f5j s THR 9 CO 0.00 0.28 0.03 0.12 -0.69 0.00 0.00 174.62 174.36 1f5j s PHE 10 N -0.03 0.13 -1.43 4.92 5.36 -0.08 -4.81 117.98 122.05 1f5j s PHE 10 Ca 0.00 0.11 -0.08 0.00 -0.96 0.00 0.00 56.93 56.00 1f5j s PHE 10 Cb -0.07 -0.35 0.04 0.00 -0.34 0.00 0.00 43.02 42.30 1f5j s PHE 10 CO 0.00 -0.13 0.61 -3.47 -1.46 0.00 0.00 175.22 170.77 1f5j n ASP 11 N 4.43 -4.95 0.00 6.13 2.03 -1.26 -1.33 116.55 121.60 1f5j n ASP 11 Ca -0.22 -0.38 0.00 0.00 0.52 0.00 0.00 54.79 54.71 1f5j n ASP 11 Cb 0.50 -4.02 0.00 0.00 -0.72 0.00 0.00 41.12 36.88 1f5j n ASP 11 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1f5j n GLY 12 N -1.40 1.93 3.76 0.27 0.00 -1.26 -4.63 105.19 103.87 1f5j n GLY 12 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1f5j n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1f5j s TYR 13 N -3.17 3.40 0.35 1.61 1.51 -0.44 -4.93 117.35 115.68 1f5j s TYR 13 Ca 0.00 0.33 -0.26 0.00 -1.01 0.00 0.00 57.07 56.13 1f5j s TYR 13 Cb 0.00 -1.96 -0.09 0.00 -0.11 0.00 0.00 41.96 39.80 1f5j s TYR 13 CO 0.00 0.50 1.06 -0.47 -1.11 0.00 0.00 175.55 175.53 1f5j s TYR 14 N -0.53 3.39 0.05 2.71 5.04 0.61 -0.91 117.35 127.72 1f5j s TYR 14 Ca 0.11 1.67 0.00 0.00 -2.44 0.00 0.00 57.07 56.41 1f5j s TYR 14 Cb -0.12 -3.18 -0.03 0.00 0.35 0.00 0.00 41.96 38.98 1f5j s TYR 14 CO 0.02 -0.58 -0.04 1.52 -1.34 0.00 0.00 175.55 175.13 1f5j s TYR 15 N -1.47 0.52 -0.25 4.97 -0.85 0.10 -0.59 117.35 119.79 1f5j s TYR 15 Ca 0.53 -0.82 -0.26 0.00 -0.52 0.00 0.00 57.07 56.00 1f5j s TYR 15 Cb -0.26 -0.35 0.09 0.00 0.38 0.00 0.00 41.96 41.83 1f5j s TYR 15 CO 0.32 -0.25 0.86 -2.00 -1.52 0.00 0.00 175.55 172.96 1f5j s GLU 16 N -2.90 0.71 -0.15 -3.49 2.12 -0.43 -1.72 118.70 112.84 1f5j s GLU 16 Ca -0.01 0.71 0.02 0.00 0.36 0.00 0.00 54.97 56.04 1f5j s GLU 16 Cb 0.00 0.35 0.01 0.00 0.26 0.00 0.00 34.13 34.75 1f5j s GLU 16 CO -0.05 -0.11 -0.20 -1.17 -0.54 0.00 0.00 175.26 173.19 1f5j s LEU 17 N 0.06 2.02 0.00 2.70 0.20 0.03 -1.85 118.68 121.84 1f5j s LEU 17 Ca 0.00 -0.58 0.02 0.00 0.69 0.00 0.00 54.13 54.26 1f5j s LEU 17 Cb -0.04 -1.38 -0.01 0.00 -0.43 0.00 0.00 46.19 44.33 1f5j s LEU 17 CO -0.01 0.03 -0.08 0.86 -0.29 0.00 0.00 176.35 176.87 1f5j s TRP 18 N 1.04 0.71 -0.04 5.38 -0.00 -0.47 -1.83 118.94 123.73 1f5j s TRP 18 Ca -0.02 -0.17 -0.30 0.00 -0.00 0.00 0.00 56.10 55.60 1f5j s TRP 18 Cb -0.14 -0.45 0.07 0.00 -0.00 0.00 0.00 33.47 32.94 1f5j s TRP 18 CO -0.06 -0.01 0.66 -1.59 -0.00 0.00 0.00 176.95 175.95 1f5j s LYS 19 N -0.36 1.05 -0.10 5.86 -2.85 -1.26 -0.33 119.74 121.74 1f5j s LYS 19 Ca 0.02 0.22 -0.09 0.00 -1.00 0.00 0.00 55.97 55.11 1f5j s LYS 19 Cb -0.04 0.49 -0.27 0.00 -2.06 0.00 0.00 37.83 35.95 1f5j s LYS 19 CO -0.00 -0.33 0.46 0.38 0.10 0.00 0.00 175.35 175.96 1f5j h ASP 20 N 3.02 0.46 -4.62 0.03 3.04 -1.89 -3.47 116.42 112.99 1f5j h ASP 20 Ca -0.27 -0.93 -0.01 0.00 -3.24 0.00 0.00 57.03 52.59 1f5j h ASP 20 Cb 1.15 -0.15 -0.21 0.00 -1.04 0.00 0.00 39.33 39.08 1f5j h ASP 20 CO 0.39 1.81 0.33 -0.89 -2.04 0.00 0.00 179.24 178.83 1f5j s THR 21 N -2.55 0.00 -1.97 1.15 2.01 -1.26 -5.06 115.64 107.96 1f5j s THR 21 Ca -0.21 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.79 1f5j s THR 21 Cb 0.06 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.57 1f5j s THR 21 CO 0.79 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.33 1f5j n GLY 22 N 0.90 0.86 3.53 4.40 0.00 -1.25 -2.45 105.19 111.18 1f5j n GLY 22 Ca -0.16 -2.18 -0.38 0.00 0.00 0.00 0.00 46.02 43.31 1f5j n GLY 22 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f5j s ASN 23 N -0.74 5.67 0.03 1.61 0.01 -0.10 -4.93 114.94 116.49 1f5j s ASN 23 Ca 0.00 -0.12 0.01 0.00 -0.71 0.00 0.00 52.86 52.04 1f5j s ASN 23 Cb 0.00 -2.04 -0.02 0.00 0.41 0.00 0.00 41.25 39.60 1f5j s ASN 23 CO 0.00 -0.06 -0.05 0.42 -1.51 0.00 0.00 177.10 175.90 1f5j s THR 24 N 1.70 0.29 -0.10 1.60 -4.23 -1.26 -1.02 115.64 112.62 1f5j s THR 24 Ca 0.07 -0.96 -0.12 0.00 -1.18 0.00 0.00 61.69 59.50 1f5j s THR 24 Cb -0.16 -0.40 0.03 0.00 1.34 0.00 0.00 72.50 73.31 1f5j s THR 24 CO 0.08 -0.43 0.33 0.28 -0.54 0.00 0.00 174.62 174.33 1f5j s THR 25 N -1.38 0.01 -0.09 3.99 -1.32 -0.82 -4.25 115.64 111.78 1f5j s THR 25 Ca -0.13 -0.09 -0.08 0.00 -1.21 0.00 0.00 61.69 60.18 1f5j s THR 25 Cb -0.10 -0.49 0.03 0.00 -1.51 0.00 0.00 72.50 70.43 1f5j s THR 25 CO -0.00 -0.05 0.24 -0.32 -2.21 0.00 0.00 174.62 172.28 1f5j s MET 26 N -0.10 0.27 -0.10 7.08 1.75 -0.05 -1.86 119.30 126.28 1f5j s MET 26 Ca -0.03 0.38 0.02 0.00 -1.25 0.00 0.00 55.69 54.81 1f5j s MET 26 Cb -0.03 0.08 0.02 0.00 2.84 0.00 0.00 34.83 37.74 1f5j s MET 26 CO 0.01 -0.06 -0.14 0.99 -0.65 0.00 0.00 175.02 175.17 1f5j s THR 27 N 0.37 1.40 -0.14 10.11 2.01 -0.66 0.17 115.64 128.89 1f5j s THR 27 Ca -0.02 -0.59 -0.10 0.00 0.31 0.00 0.00 61.69 61.30 1f5j s THR 27 Cb -0.03 -1.30 -0.05 0.00 0.01 0.00 0.00 72.50 71.13 1f5j s THR 27 CO -0.02 0.42 0.19 -0.69 -0.69 0.00 0.00 174.62 173.84 1f5j s VAL 28 N 1.02 5.40 0.43 3.82 1.01 -1.26 -1.70 120.40 129.12 1f5j s VAL 28 Ca -0.06 0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.26 1f5j s VAL 28 Cb -0.15 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.76 1f5j s VAL 28 CO -0.02 0.52 0.14 -1.22 0.00 0.00 0.00 175.10 174.52 1f5j n TYR 29 N 2.72 0.25 -1.32 5.22 4.01 0.65 -4.98 117.16 123.71 1f5j n TYR 29 Ca -0.17 -2.00 -0.30 0.00 -0.16 0.00 0.00 57.90 55.28 1f5j n TYR 29 Cb 0.53 -0.31 0.12 0.00 -0.31 0.00 0.00 39.34 39.37 1f5j n TYR 29 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1f5j s THR 30 N -2.39 2.78 -1.63 -0.72 -4.23 -1.26 -3.79 115.64 104.39 1f5j s THR 30 Ca 0.11 0.25 -0.03 0.00 -1.18 0.00 0.00 61.69 60.84 1f5j s THR 30 Cb -0.01 -2.82 0.01 0.00 1.34 0.00 0.00 72.50 71.01 1f5j s THR 30 CO 0.07 -0.33 0.32 0.00 -0.54 0.00 0.00 174.62 174.14 1f5j n GLN 31 N -3.74 -3.39 -1.00 3.99 6.02 -1.26 -2.28 117.38 115.73 1f5j n GLN 31 Ca 0.07 0.93 0.00 0.00 -0.01 0.00 0.00 57.00 57.99 1f5j n GLN 31 Cb 0.56 -5.70 0.00 0.00 1.02 0.00 0.00 30.24 26.12 1f5j n GLN 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1f5j n GLY 32 N -1.27 0.26 3.83 1.08 0.00 -1.25 -4.00 105.19 103.83 1f5j n GLY 32 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1f5j n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1f5j s ARG 33 N -0.95 4.10 -0.05 1.61 0.52 -0.96 -4.68 118.95 118.54 1f5j s ARG 33 Ca 0.00 1.05 -0.29 0.00 -0.52 0.00 0.00 55.73 55.97 1f5j s ARG 33 Cb 0.00 -2.16 0.11 0.00 0.52 0.00 0.00 34.95 33.42 1f5j s ARG 33 CO 0.00 -0.14 0.91 -0.59 0.02 0.00 0.00 175.30 175.49 1f5j s PHE 34 N -2.37 -0.37 0.18 -0.53 -0.12 -0.87 -0.25 117.98 113.65 1f5j s PHE 34 Ca 0.61 0.36 0.10 0.00 -0.05 0.00 0.00 56.93 57.94 1f5j s PHE 34 Cb -0.10 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.76 1f5j s PHE 34 CO 0.21 -0.50 -0.20 -1.54 -0.05 0.00 0.00 175.22 173.14 1f5j s SER 35 N -2.09 2.95 0.02 1.98 1.04 -0.69 -0.02 113.70 116.90 1f5j s SER 35 Ca 0.03 -0.87 -0.26 0.00 0.48 0.00 0.00 55.95 55.33 1f5j s SER 35 Cb -0.01 -0.19 0.06 0.00 0.10 0.00 0.00 66.02 65.98 1f5j s SER 35 CO -0.06 0.02 0.59 0.00 0.98 0.00 0.00 173.24 174.77 1f5j s GLN 37 N -2.06 0.53 0.04 0.00 -0.21 -0.78 -0.93 119.66 116.25 1f5j s GLN 37 Ca -0.07 -0.32 -0.11 0.00 0.02 0.00 0.00 55.36 54.88 1f5j s GLN 37 Cb -0.01 0.22 0.01 0.00 1.00 0.00 0.00 33.01 34.24 1f5j s GLN 37 CO 0.02 -0.13 0.23 1.67 -2.12 0.00 0.00 175.29 174.96 1f5j s TRP 38 N -1.32 -0.01 -0.05 0.91 -2.14 -0.54 -1.94 118.94 113.85 1f5j s TRP 38 Ca -0.14 -0.18 -0.30 0.00 2.66 0.00 0.00 56.10 58.15 1f5j s TRP 38 Cb -0.07 0.02 0.09 0.00 -3.10 0.00 0.00 33.47 30.41 1f5j s TRP 38 CO 0.02 -0.45 0.77 -1.54 -2.66 0.00 0.00 176.95 173.09 1f5j s SER 39 N -2.06 -0.54 -1.55 -2.66 1.04 -0.19 -1.19 113.70 106.55 1f5j s SER 39 Ca -0.05 0.48 -0.14 0.00 0.48 0.00 0.00 55.95 56.71 1f5j s SER 39 Cb -0.01 0.47 0.10 0.00 0.10 0.00 0.00 66.02 66.68 1f5j s SER 39 CO -0.03 -0.59 0.93 0.59 0.98 0.00 0.00 173.24 175.12 1f5j n ASN 40 N 0.59 -4.61 -4.94 7.02 4.13 -1.24 -0.92 115.26 115.28 1f5j n ASN 40 Ca -0.15 -0.79 -0.20 0.00 1.68 0.00 0.00 54.58 55.12 1f5j n ASN 40 Cb 0.59 -3.70 -0.01 0.00 -1.54 0.00 0.00 39.78 35.13 1f5j n ASN 40 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1f5j s ILE 41 N -3.27 2.63 -0.09 2.41 -4.36 -1.26 -3.94 121.20 113.32 1f5j s ILE 41 Ca 0.67 -1.21 -0.11 0.00 -0.26 0.00 0.00 60.65 59.74 1f5j s ILE 41 Cb -0.34 -2.84 -0.04 0.00 1.25 0.00 0.00 42.46 40.50 1f5j s ILE 41 CO 0.82 0.00 -0.21 -3.20 0.24 0.00 0.00 174.94 172.59 1f5j n ASN 42 N -1.74 1.41 -3.75 4.36 5.15 -1.03 -3.31 115.26 116.35 1f5j n ASN 42 Ca 0.06 0.23 -0.14 0.00 -0.60 0.00 0.00 54.58 54.13 1f5j n ASN 42 Cb 0.61 -0.59 -0.15 0.00 -0.53 0.00 0.00 39.78 39.13 1f5j n ASN 42 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1f5j s ASN 43 N -5.63 -0.06 -0.04 1.20 3.04 -1.26 0.13 114.94 112.31 1f5j s ASN 43 Ca -0.17 0.25 -0.05 0.00 0.04 0.00 0.00 52.86 52.92 1f5j s ASN 43 Cb 0.02 0.14 0.01 0.00 -1.54 0.00 0.00 41.25 39.88 1f5j s ASN 43 CO 0.26 -0.15 0.13 0.00 -3.04 0.00 0.00 177.10 174.30 1f5j s ALA 44 N 1.17 -0.32 -0.02 1.71 0.00 -0.59 -2.36 121.76 121.34 1f5j s ALA 44 Ca -0.09 0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.18 1f5j s ALA 44 Cb -0.12 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.84 1f5j s ALA 44 CO -0.05 -0.09 -0.10 -0.51 0.00 0.00 0.00 175.76 175.01 1f5j s LEU 45 N -0.18 1.82 -0.09 0.00 1.02 0.55 -0.32 118.68 121.48 1f5j s LEU 45 Ca -0.03 -0.20 0.03 0.00 0.02 0.00 0.00 54.13 53.96 1f5j s LEU 45 Cb -0.02 -0.57 0.01 0.00 0.02 0.00 0.00 46.19 45.63 1f5j s LEU 45 CO 0.00 0.08 -0.17 -0.36 0.02 0.00 0.00 176.35 175.92 1f5j s PHE 46 N 0.13 1.96 0.07 0.29 0.08 0.10 -1.36 117.98 119.26 1f5j s PHE 46 Ca -0.02 -0.80 -0.24 0.00 0.12 0.00 0.00 56.93 55.98 1f5j s PHE 46 Cb -0.08 -1.38 0.06 0.00 -0.57 0.00 0.00 43.02 41.06 1f5j s PHE 46 CO 0.00 -0.37 0.59 -0.98 -0.10 0.00 0.00 175.22 174.36 1f5j s ARG 47 N 0.61 1.14 0.01 0.44 1.70 -0.77 -0.52 118.95 121.56 1f5j s ARG 47 Ca -0.15 -0.23 -0.02 0.00 -0.47 0.00 0.00 55.73 54.87 1f5j s ARG 47 Cb -0.16 0.53 -0.01 0.00 -0.57 0.00 0.00 34.95 34.73 1f5j s ARG 47 CO 0.05 -0.44 0.02 0.95 -1.08 0.00 0.00 175.30 174.79 1f5j s THR 48 N -2.73 0.07 -0.38 4.99 -4.23 -1.04 -1.31 115.64 111.01 1f5j s THR 48 Ca -0.04 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.86 1f5j s THR 48 Cb -0.01 -0.23 0.00 0.00 1.34 0.00 0.00 72.50 73.60 1f5j s THR 48 CO -0.04 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.32 1f5j n GLY 49 N 1.99 -0.88 3.22 3.99 0.00 0.25 -1.14 105.19 112.62 1f5j n GLY 49 Ca -0.20 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 1f5j n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f5j s LYS 50 N -0.30 0.97 0.12 1.61 -0.14 -0.58 -0.28 119.74 121.14 1f5j s LYS 50 Ca 0.00 -1.16 0.05 0.00 -1.36 0.00 0.00 55.97 53.50 1f5j s LYS 50 Cb 0.00 -0.91 -0.04 0.00 -1.68 0.00 0.00 37.83 35.20 1f5j s LYS 50 CO 0.00 0.18 0.04 0.15 -0.76 0.00 0.00 175.35 174.97 1f5j s LYS 51 N -2.38 2.66 0.00 1.68 1.02 -1.26 -1.21 119.74 120.25 1f5j s LYS 51 Ca 0.06 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.19 1f5j s LYS 51 Cb -0.07 -2.57 0.00 0.00 -0.52 0.00 0.00 37.83 34.68 1f5j s LYS 51 CO 0.03 0.52 0.00 0.66 -0.92 0.00 0.00 175.35 175.64 1f5j n TYR 52 N 0.23 0.00 -0.20 3.18 4.02 -0.31 -4.94 117.16 119.14 1f5j n TYR 52 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.79 1f5j n TYR 52 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 1f5j n TYR 52 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1f5j n ASN 53 N -0.11 -0.20 -3.48 7.72 4.05 0.15 -4.99 115.26 118.39 1f5j n ASN 53 Ca 0.00 0.00 -0.15 0.00 0.45 0.00 0.00 54.58 54.88 1f5j n ASN 53 Cb 0.00 -0.05 -0.04 0.00 1.23 0.00 0.00 39.78 40.92 1f5j n ASN 53 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1f5j s GLN 54 N 0.42 1.11 0.28 1.20 -2.07 -1.22 -4.94 119.66 114.43 1f5j s GLN 54 Ca 0.00 -0.07 -0.30 0.00 -1.82 0.00 0.00 55.36 53.17 1f5j s GLN 54 Cb 0.00 0.52 -0.13 0.00 -1.09 0.00 0.00 33.01 32.31 1f5j s GLN 54 CO 0.00 -0.42 1.35 0.09 -1.32 0.00 0.00 175.29 175.00 1f5j n ASN 55 N 0.31 2.75 0.04 12.60 3.02 -1.26 -1.73 115.26 131.00 1f5j n ASN 55 Ca -0.17 1.17 0.12 0.00 -0.03 0.00 0.00 54.58 55.67 1f5j n ASN 55 Cb 0.61 -1.45 0.59 0.00 -0.61 0.00 0.00 39.78 38.91 1f5j n ASN 55 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 1f5j h TRP 56 N 3.49 0.20 0.00 3.10 5.08 -1.88 -1.77 115.95 124.17 1f5j h TRP 56 Ca -0.45 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.52 1f5j h TRP 56 Cb 1.28 -0.07 0.00 0.00 -3.00 0.00 0.00 29.16 27.37 1f5j h TRP 56 CO 0.54 0.10 0.00 1.96 -1.28 0.00 0.00 178.44 179.76 1f5j h GLN 57 N 0.19 0.00 -0.02 0.12 7.50 -1.92 -1.42 115.11 119.56 1f5j h GLN 57 Ca 0.18 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.33 1f5j h GLN 57 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.00 1f5j h GLN 57 CO -0.03 0.00 -0.06 -1.13 -1.50 0.00 0.00 178.83 176.11 1f5j n SER 58 N -2.76 2.53 0.21 1.46 3.41 -0.66 -4.19 113.62 113.61 1f5j n SER 58 Ca -0.01 -1.81 0.13 0.00 -0.26 0.00 0.00 58.87 56.92 1f5j n SER 58 Cb 0.13 0.05 0.35 0.00 -0.26 0.00 0.00 64.21 64.48 1f5j n SER 58 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1f5j h LEU 59 N 3.88 0.00 0.00 1.04 3.38 -1.33 -3.49 115.31 118.79 1f5j h LEU 59 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1f5j h LEU 59 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1f5j h LEU 59 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1f5j n GLY 60 N 0.83 0.43 3.48 0.83 0.00 -1.26 -4.62 105.19 104.88 1f5j n GLY 60 Ca 0.03 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 1f5j n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f5j s THR 61 N 0.00 4.43 -0.16 2.61 2.01 0.17 -4.88 115.64 119.82 1f5j s THR 61 Ca 0.00 -0.14 -0.01 0.00 0.31 0.00 0.00 61.69 61.86 1f5j s THR 61 Cb 0.00 -3.06 -0.01 0.00 0.01 0.00 0.00 72.50 69.44 1f5j s THR 61 CO 0.00 0.35 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.52 1f5j s ILE 62 N 1.45 2.89 -0.03 1.82 1.01 -1.26 -1.24 121.20 125.84 1f5j s ILE 62 Ca 0.06 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 60.06 1f5j s ILE 62 Cb -0.15 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 1f5j s ILE 62 CO 0.04 0.50 -0.18 -0.13 0.00 0.00 0.00 174.94 175.17 1f5j s ARG 63 N 0.78 1.71 -0.20 2.79 0.52 0.50 -1.87 118.95 123.18 1f5j s ARG 63 Ca -0.05 -0.66 -0.01 0.00 -0.52 0.00 0.00 55.73 54.50 1f5j s ARG 63 Cb -0.15 -1.55 0.01 0.00 0.52 0.00 0.00 34.95 33.78 1f5j s ARG 63 CO 0.01 0.32 -0.14 0.42 0.02 0.00 0.00 175.30 175.94 1f5j s ILE 64 N -0.19 2.56 -0.30 1.52 1.01 -0.14 -0.50 121.20 125.16 1f5j s ILE 64 Ca 0.01 -0.80 -0.10 0.00 0.00 0.00 0.00 60.65 59.76 1f5j s ILE 64 Cb -0.10 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 1f5j s ILE 64 CO 0.01 0.47 0.15 -0.89 0.00 0.00 0.00 174.94 174.69 1f5j s THR 65 N 1.35 4.75 0.31 2.92 2.01 0.14 -0.35 115.64 126.76 1f5j s THR 65 Ca 0.05 -0.25 0.04 0.00 0.31 0.00 0.00 61.69 61.84 1f5j s THR 65 Cb -0.14 -3.36 -0.06 0.00 0.01 0.00 0.00 72.50 68.95 1f5j s THR 65 CO -0.09 0.14 0.04 -0.72 -0.69 0.00 0.00 174.62 173.29 1f5j s TYR 66 N 1.65 1.90 -0.17 4.92 1.13 0.24 -0.96 117.35 126.07 1f5j s TYR 66 Ca 0.05 -0.92 -0.19 0.00 -1.41 0.00 0.00 57.07 54.60 1f5j s TYR 66 Cb -0.17 -1.21 0.05 0.00 -1.10 0.00 0.00 41.96 39.54 1f5j s TYR 66 CO 0.07 0.03 0.52 -1.12 -2.51 0.00 0.00 175.55 172.54 1f5j s SER 67 N -3.45 -0.53 -0.06 -0.18 0.01 -0.78 -1.13 113.70 107.57 1f5j s SER 67 Ca 0.35 0.94 -0.30 0.00 1.31 0.00 0.00 55.95 58.25 1f5j s SER 67 Cb 0.08 0.96 0.09 0.00 0.21 0.00 0.00 66.02 67.36 1f5j s SER 67 CO 0.14 -0.24 0.81 0.00 0.41 0.00 0.00 173.24 174.36 1f5j s ALA 68 N 0.01 -1.81 -0.35 1.44 0.00 -0.59 -0.98 121.76 119.48 1f5j s ALA 68 Ca -0.02 1.28 -0.11 0.00 0.00 0.00 0.00 51.96 53.11 1f5j s ALA 68 Cb -0.03 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.00 1f5j s ALA 68 CO 0.02 -0.44 0.20 0.95 0.00 0.00 0.00 175.76 176.50 1f5j s THR 69 N -1.70 4.75 -0.30 0.00 -4.23 -0.13 -4.78 115.64 109.25 1f5j s THR 69 Ca -0.04 -0.62 -0.05 0.00 -1.18 0.00 0.00 61.69 59.80 1f5j s THR 69 Cb -0.00 -3.55 0.03 0.00 1.34 0.00 0.00 72.50 70.31 1f5j s THR 69 CO 0.02 -0.12 0.04 -0.47 -0.54 0.00 0.00 174.62 173.55 1f5j s TYR 70 N 1.61 3.18 -0.54 3.99 5.04 -1.26 -0.52 117.35 128.84 1f5j s TYR 70 Ca 0.04 -1.37 0.07 0.00 -2.44 0.00 0.00 57.07 53.37 1f5j s TYR 70 Cb -0.18 -2.19 0.26 0.00 0.35 0.00 0.00 41.96 40.20 1f5j s TYR 70 CO 0.07 -0.69 0.69 0.09 -1.34 0.00 0.00 175.55 174.38 1f5j n ASN 71 N 4.77 2.52 -4.81 4.32 4.13 0.08 -5.02 115.26 121.24 1f5j n ASN 71 Ca -0.14 -3.20 -0.33 0.00 1.68 0.00 0.00 54.58 52.58 1f5j n ASN 71 Cb 0.46 -0.65 -0.05 0.00 -1.54 0.00 0.00 39.78 38.00 1f5j n ASN 71 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1f5j s PRO 72 N -2.15 3.99 0.00 3.52 0.04 -1.26 -1.94 135.00 137.20 1f5j s PRO 72 Ca 0.39 1.22 0.13 0.00 0.04 0.00 0.00 61.00 62.78 1f5j s PRO 72 Cb 0.18 -2.13 0.22 0.00 0.04 0.00 0.00 34.50 32.80 1f5j s PRO 72 CO -0.06 -0.25 1.08 0.09 0.04 0.00 0.00 177.00 177.90 1f5j n ASN 73 N -0.90 2.53 0.00 6.66 3.02 -0.13 -4.94 115.26 121.49 1f5j n ASN 73 Ca 0.08 -1.75 0.00 0.00 -0.03 0.00 0.00 54.58 52.88 1f5j n ASN 73 Cb 0.53 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 1f5j n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f5j n GLY 74 N 0.70 2.46 3.65 7.41 0.00 -1.25 -4.78 105.19 113.39 1f5j n GLY 74 Ca 0.10 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.28 1f5j n GLY 74 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1f5j n ASN 75 N 0.00 3.76 -3.53 1.61 4.05 -1.26 -3.30 115.26 116.59 1f5j n ASN 75 Ca 0.00 0.81 -0.09 0.00 0.45 0.00 0.00 54.58 55.74 1f5j n ASN 75 Cb 0.00 -1.47 -0.02 0.00 1.23 0.00 0.00 39.78 39.52 1f5j n ASN 75 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1f5j s SER 76 N 5.00 -0.43 0.04 1.20 0.15 -1.26 -1.37 113.70 117.04 1f5j s SER 76 Ca 0.93 -0.12 0.03 0.00 0.70 0.00 0.00 55.95 57.49 1f5j s SER 76 Cb -0.51 0.54 -0.02 0.00 -1.71 0.00 0.00 66.02 64.31 1f5j s SER 76 CO 0.44 -0.90 -0.10 -0.31 1.20 0.00 0.00 173.24 173.58 1f5j s TYR 77 N -3.53 0.83 -0.22 3.44 2.02 -0.09 -1.25 117.35 118.55 1f5j s TYR 77 Ca 0.05 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.35 1f5j s TYR 77 Cb -0.02 -0.49 0.04 0.00 -0.40 0.00 0.00 41.96 41.09 1f5j s TYR 77 CO -0.08 -0.03 -0.15 -1.17 -1.57 0.00 0.00 175.55 172.55 1f5j s LEU 78 N -1.35 2.73 0.25 -1.29 2.96 -0.04 -1.18 118.68 120.76 1f5j s LEU 78 Ca -0.05 -0.96 -0.17 0.00 -0.22 0.00 0.00 54.13 52.73 1f5j s LEU 78 Cb -0.09 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.09 1f5j s LEU 78 CO 0.01 -0.08 0.59 0.00 -1.32 0.00 0.00 176.35 175.55 1f5j s ILE 80 N -3.95 4.96 -0.03 0.00 -1.09 -0.16 0.11 121.20 121.04 1f5j s ILE 80 Ca 0.15 1.08 -0.04 0.00 -2.23 0.00 0.00 60.65 59.61 1f5j s ILE 80 Cb -0.03 -3.85 0.01 0.00 -1.58 0.00 0.00 42.46 37.01 1f5j s ILE 80 CO 0.06 0.47 0.10 -0.47 -1.23 0.00 0.00 174.94 173.86 1f5j s TYR 81 N -0.43 -0.05 0.05 3.97 6.14 0.90 -1.26 117.35 126.69 1f5j s TYR 81 Ca 0.28 0.12 -0.04 0.00 0.64 0.00 0.00 57.07 58.07 1f5j s TYR 81 Cb -0.17 -0.00 0.01 0.00 0.42 0.00 0.00 41.96 42.22 1f5j s TYR 81 CO 0.15 -0.11 0.18 0.41 0.64 0.00 0.00 175.55 176.83 1f5j n GLY 82 N 2.59 1.44 3.09 8.97 0.00 -0.81 0.52 105.19 120.99 1f5j n GLY 82 Ca -0.15 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 1f5j n GLY 82 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1f5j s TRP 83 N -6.28 0.23 0.11 1.61 0.52 -1.10 -1.22 118.94 112.81 1f5j s TRP 83 Ca 0.04 -0.53 0.03 0.00 0.02 0.00 0.00 56.10 55.66 1f5j s TRP 83 Cb -0.01 -0.17 -0.04 0.00 -1.15 0.00 0.00 33.47 32.11 1f5j s TRP 83 CO 0.02 -0.33 -0.09 -1.54 0.02 0.00 0.00 176.95 175.03 1f5j s SER 84 N -2.02 1.45 0.13 2.95 1.04 -0.23 -0.67 113.70 116.35 1f5j s SER 84 Ca -0.07 -0.92 0.08 0.00 0.48 0.00 0.00 55.95 55.52 1f5j s SER 84 Cb -0.02 0.03 -0.04 0.00 0.10 0.00 0.00 66.02 66.09 1f5j s SER 84 CO -0.04 -0.34 -0.18 0.42 0.98 0.00 0.00 173.24 174.09 1f5j s THR 85 N -3.01 1.63 -0.87 2.02 -4.23 0.35 -1.33 115.64 110.20 1f5j s THR 85 Ca 0.10 -1.73 -0.05 0.00 -1.18 0.00 0.00 61.69 58.84 1f5j s THR 85 Cb 0.01 -1.64 0.00 0.00 1.34 0.00 0.00 72.50 72.21 1f5j s THR 85 CO -0.01 -0.26 0.67 -3.20 -0.54 0.00 0.00 174.62 171.28 1f5j n ASN 86 N 0.63 -5.85 -4.87 3.99 5.15 -1.26 -1.14 115.26 111.92 1f5j n ASN 86 Ca -0.16 -0.71 -0.31 0.00 -0.60 0.00 0.00 54.58 52.81 1f5j n ASN 86 Cb 0.56 -3.11 -0.01 0.00 -0.53 0.00 0.00 39.78 36.68 1f5j n ASN 86 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1f5j s PRO 87 N -4.59 3.74 -0.26 1.20 0.04 -1.26 -4.14 135.00 129.73 1f5j s PRO 87 Ca 0.10 0.68 -0.29 0.00 0.04 0.00 0.00 61.00 61.53 1f5j s PRO 87 Cb -0.04 -2.20 0.01 0.00 0.04 0.00 0.00 34.50 32.30 1f5j s PRO 87 CO 0.85 -0.31 1.16 -1.17 0.04 0.00 0.00 177.00 177.57 1f5j s LEU 88 N -4.48 4.02 -0.02 -3.56 2.96 -1.26 -4.16 118.68 112.18 1f5j s LEU 88 Ca 0.54 1.31 -0.01 0.00 -0.22 0.00 0.00 54.13 55.75 1f5j s LEU 88 Cb -0.10 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.06 1f5j s LEU 88 CO 0.41 -0.85 0.03 -0.69 -1.32 0.00 0.00 176.35 173.93 1f5j s VAL 89 N 3.67 -0.03 -0.23 1.68 1.01 -0.44 -3.92 120.40 122.15 1f5j s VAL 89 Ca 0.50 0.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.49 1f5j s VAL 89 Cb -0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 1f5j s VAL 89 CO 0.15 0.04 0.08 -0.70 0.00 0.00 0.00 175.10 174.67 1f5j s GLU 90 N 0.49 3.78 0.17 2.72 2.12 -1.00 -1.07 118.70 125.90 1f5j s GLU 90 Ca -0.04 -0.42 0.10 0.00 0.36 0.00 0.00 54.97 54.97 1f5j s GLU 90 Cb -0.06 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 1f5j s GLU 90 CO -0.02 -0.05 -0.22 -0.59 -0.54 0.00 0.00 175.26 173.84 1f5j s PHE 91 N 1.27 2.06 0.03 5.30 -0.12 -0.36 -2.04 117.98 124.12 1f5j s PHE 91 Ca 0.05 -0.41 0.02 0.00 -0.05 0.00 0.00 56.93 56.55 1f5j s PHE 91 Cb -0.15 -1.04 -0.02 0.00 -0.63 0.00 0.00 43.02 41.18 1f5j s PHE 91 CO 0.04 0.39 -0.08 0.71 -0.05 0.00 0.00 175.22 176.23 1f5j s TYR 92 N -1.70 0.70 -0.37 3.49 1.51 -0.02 -1.92 117.35 119.03 1f5j s TYR 92 Ca 0.17 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.84 1f5j s TYR 92 Cb -0.08 -0.42 0.12 0.00 -0.11 0.00 0.00 41.96 41.48 1f5j s TYR 92 CO 0.08 -0.05 0.18 0.42 -1.11 0.00 0.00 175.55 175.07 1f5j s ILE 93 N -1.03 0.91 -0.32 2.71 1.01 -0.39 -1.54 121.20 122.55 1f5j s ILE 93 Ca -0.06 -1.93 -0.27 0.00 0.00 0.00 0.00 60.65 58.39 1f5j s ILE 93 Cb -0.08 -1.66 0.01 0.00 0.01 0.00 0.00 42.46 40.74 1f5j s ILE 93 CO 0.00 -0.84 0.98 -0.69 0.00 0.00 0.00 174.94 174.40 1f5j s VAL 94 N 0.99 4.60 -0.15 2.92 1.01 0.69 -0.99 120.40 129.46 1f5j s VAL 94 Ca 0.15 1.55 -0.06 0.00 0.00 0.00 0.00 61.98 63.61 1f5j s VAL 94 Cb -0.22 -4.34 -0.24 0.00 0.00 0.00 0.00 36.38 31.59 1f5j s VAL 94 CO -0.09 -0.42 0.24 -0.62 0.00 0.00 0.00 175.10 174.21 1f5j n GLU 95 N 6.67 0.73 -4.12 2.72 -0.58 -0.30 -1.37 120.64 124.40 1f5j n GLU 95 Ca 0.09 0.26 -0.11 0.00 -0.42 0.00 0.00 57.16 56.98 1f5j n GLU 95 Cb 0.47 -1.67 -0.08 0.00 -0.57 0.00 0.00 31.44 29.59 1f5j n GLU 95 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1f5j s SER 96 N -6.95 0.07 0.37 1.62 0.15 -0.99 -0.75 113.70 107.23 1f5j s SER 96 Ca -0.25 -1.20 -0.15 0.00 0.70 0.00 0.00 55.95 55.04 1f5j s SER 96 Cb 0.07 0.47 0.05 0.00 -1.71 0.00 0.00 66.02 64.90 1f5j s SER 96 CO 0.73 -0.97 0.76 -1.66 1.20 0.00 0.00 173.24 173.30 1f5j s TRP 97 N -4.08 0.15 0.00 3.44 -2.14 -1.26 -0.86 118.94 114.19 1f5j s TRP 97 Ca 0.32 -0.79 0.00 0.00 2.66 0.00 0.00 56.10 58.29 1f5j s TRP 97 Cb 0.04 0.77 0.00 0.00 -3.10 0.00 0.00 33.47 31.18 1f5j s TRP 97 CO 0.11 -1.52 0.00 0.41 -2.66 0.00 0.00 176.95 173.29 1f5j n GLY 98 N -0.53 1.00 0.07 3.67 0.00 -0.38 -4.90 105.19 104.12 1f5j n GLY 98 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.07 1f5j n GLY 98 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1f5j n ASN 99 N 0.00 0.57 -3.76 1.61 2.04 -1.21 -4.84 115.26 109.67 1f5j n ASN 99 Ca 0.00 -0.36 -0.20 0.00 -0.44 0.00 0.00 54.58 53.58 1f5j n ASN 99 Cb 0.00 0.11 -0.17 0.00 -2.53 0.00 0.00 39.78 37.19 1f5j n ASN 99 CO 0.00 0.00 0.00 0.86 -0.44 0.00 0.00 177.26 177.68 1f5j s TRP 100 N -2.82 0.42 -0.20 -2.53 -0.00 -1.26 -5.03 118.94 107.52 1f5j s TRP 100 Ca 0.16 -0.02 -0.29 0.00 -0.00 0.00 0.00 56.10 55.96 1f5j s TRP 100 Cb 0.18 -0.61 0.00 0.00 -0.00 0.00 0.00 33.47 33.05 1f5j s TRP 100 CO 0.61 -0.23 1.07 0.50 -0.00 0.00 0.00 176.95 178.90 1f5j s ARG 101 N 1.73 4.28 1.03 5.86 3.52 -1.26 -4.81 118.95 129.29 1f5j s ARG 101 Ca 0.00 1.41 -0.15 0.00 -0.13 0.00 0.00 55.73 56.86 1f5j s ARG 101 Cb -0.13 -3.64 0.20 0.00 -1.56 0.00 0.00 34.95 29.83 1f5j s ARG 101 CO -0.03 -0.59 1.16 -1.25 -0.81 0.00 0.00 175.30 173.77 1f5j s PRO 102 N 3.05 0.19 -0.08 5.12 0.04 -1.26 -4.53 135.00 137.52 1f5j s PRO 102 Ca 0.46 0.07 0.12 0.00 0.04 0.00 0.00 61.00 61.70 1f5j s PRO 102 Cb -0.17 -1.75 0.33 0.00 0.04 0.00 0.00 34.50 32.95 1f5j s PRO 102 CO 0.09 -2.80 1.25 -0.35 0.04 0.00 0.00 177.00 175.24 1f5j n PRO 103 N -4.14 2.67 -2.60 0.56 -0.04 -1.26 -4.94 135.00 125.24 1f5j n PRO 103 Ca 0.10 -2.31 -0.08 0.00 -0.04 0.00 0.00 63.50 61.17 1f5j n PRO 103 Cb 0.59 -1.46 0.04 0.00 -0.04 0.00 0.00 33.50 32.64 1f5j n PRO 103 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1f5j n GLY 104 N -0.31 0.02 3.50 0.55 0.00 -1.26 -5.06 105.19 102.64 1f5j n GLY 104 Ca 0.14 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1f5j n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f5j s ALA 105 N -3.18 -0.20 0.21 4.61 0.00 -1.26 -5.13 121.76 116.81 1f5j s ALA 105 Ca 0.05 -0.84 -0.30 0.00 0.00 0.00 0.00 51.96 50.87 1f5j s ALA 105 Cb -0.01 1.01 -0.09 0.00 0.00 0.00 0.00 23.12 24.03 1f5j s ALA 105 CO 0.35 -0.79 1.42 0.99 0.00 0.00 0.00 175.76 177.74 1f5j s THR 106 N -4.00 2.87 0.24 0.00 2.01 -1.26 -4.98 115.64 110.53 1f5j s THR 106 Ca 0.20 0.70 -0.30 0.00 0.31 0.00 0.00 61.69 62.60 1f5j s THR 106 Cb 0.01 -3.45 -0.09 0.00 0.01 0.00 0.00 72.50 68.98 1f5j s THR 106 CO 0.06 0.09 1.01 -0.55 -0.69 0.00 0.00 174.62 174.53 1f5j s SER 107 N 0.57 7.49 0.00 3.53 0.15 -1.26 -4.48 113.70 119.70 1f5j s SER 107 Ca 0.61 2.06 0.22 0.00 0.70 0.00 0.00 55.95 59.54 1f5j s SER 107 Cb -0.40 -2.61 0.53 0.00 -1.71 0.00 0.00 66.02 61.83 1f5j s SER 107 CO 0.38 0.02 1.46 0.18 1.20 0.00 0.00 173.24 176.49 1f5j n LEU 108 N 1.50 3.69 0.00 3.45 4.77 0.16 -5.01 117.00 125.56 1f5j n LEU 108 Ca -0.01 -1.79 0.00 0.00 -0.03 0.00 0.00 56.01 54.17 1f5j n LEU 108 Cb 0.46 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1f5j n LEU 108 CO 0.52 0.87 0.00 0.61 -1.33 0.00 0.00 177.39 178.06 1f5j n GLY 109 N 1.52 2.73 3.23 -0.72 0.00 -1.25 -4.89 105.19 105.79 1f5j n GLY 109 Ca 0.22 -1.89 -0.26 0.00 0.00 0.00 0.00 46.02 44.09 1f5j n GLY 109 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1f5j s GLN 110 N -1.86 1.48 0.07 1.61 0.74 -1.26 -0.97 119.66 119.46 1f5j s GLN 110 Ca 0.00 -0.82 0.01 0.00 0.05 0.00 0.00 55.36 54.60 1f5j s GLN 110 Cb 0.00 -1.51 -0.04 0.00 1.10 0.00 0.00 33.01 32.56 1f5j s GLN 110 CO 0.00 0.40 -0.05 0.14 -0.55 0.00 0.00 175.29 175.23 1f5j s VAL 111 N -0.64 0.47 -0.27 1.34 -7.23 0.00 -4.97 120.40 109.12 1f5j s VAL 111 Ca 0.07 -1.70 -0.05 0.00 -1.81 0.00 0.00 61.98 58.50 1f5j s VAL 111 Cb -0.08 -1.37 0.01 0.00 0.56 0.00 0.00 36.38 35.50 1f5j s VAL 111 CO 0.01 -0.82 0.02 -0.89 -0.31 0.00 0.00 175.10 173.11 1f5j s THR 112 N -3.24 3.59 -0.02 5.32 2.01 -1.26 -0.35 115.64 121.69 1f5j s THR 112 Ca 0.05 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.35 1f5j s THR 112 Cb 0.03 -2.80 0.01 0.00 0.01 0.00 0.00 72.50 69.75 1f5j s THR 112 CO -0.05 0.19 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.40 1f5j s ILE 113 N 1.46 0.29 -1.48 1.82 1.01 0.61 -4.83 121.20 120.08 1f5j s ILE 113 Ca 0.03 -0.09 -0.10 0.00 0.00 0.00 0.00 60.65 60.49 1f5j s ILE 113 Cb -0.16 -0.30 0.07 0.00 0.01 0.00 0.00 42.46 42.07 1f5j s ILE 113 CO -0.00 0.12 0.88 0.47 0.00 0.00 0.00 174.94 176.40 1f5j n ASP 114 N 3.43 -3.62 0.00 3.58 8.00 -1.26 -0.62 116.55 126.06 1f5j n ASP 114 Ca -0.18 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.50 1f5j n ASP 114 Cb 0.55 -3.81 0.00 0.00 -0.02 0.00 0.00 41.12 37.84 1f5j n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f5j n GLY 115 N -1.67 0.23 3.45 0.44 0.00 -1.26 -4.96 105.19 101.42 1f5j n GLY 115 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 1f5j n GLY 115 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1f5j s GLY 116 N -2.00 1.70 -0.17 -0.02 0.00 0.21 -5.12 107.32 101.93 1f5j s GLY 116 Ca 0.00 -1.58 -0.11 0.00 0.00 0.00 0.00 44.72 43.03 1f5j s GLY 116 CO 0.00 -1.60 0.19 -1.59 0.00 0.00 0.00 173.10 170.10 1f5j s THR 117 N -1.60 5.38 0.01 0.90 2.01 -1.26 -0.28 115.64 120.80 1f5j s THR 117 Ca 0.21 0.32 0.03 0.00 0.31 0.00 0.00 61.69 62.57 1f5j s THR 117 Cb -0.08 -3.52 -0.01 0.00 0.01 0.00 0.00 72.50 68.90 1f5j s THR 117 CO 0.10 0.46 -0.11 -0.31 -0.69 0.00 0.00 174.62 174.08 1f5j s TYR 118 N 0.11 0.97 -0.07 4.92 1.51 0.52 -1.12 117.35 124.18 1f5j s TYR 118 Ca 0.12 -0.24 -0.08 0.00 -1.01 0.00 0.00 57.07 55.86 1f5j s TYR 118 Cb -0.12 -0.60 -0.04 0.00 -0.11 0.00 0.00 41.96 41.08 1f5j s TYR 118 CO 0.01 -0.01 0.21 -0.51 -1.11 0.00 0.00 175.55 174.15 1f5j s ASP 119 N -0.55 6.49 -0.12 2.29 1.01 -0.32 -0.82 116.67 124.66 1f5j s ASP 119 Ca 0.02 0.58 -0.04 0.00 0.71 0.00 0.00 52.55 53.82 1f5j s ASP 119 Cb -0.05 -2.11 -0.03 0.00 1.01 0.00 0.00 42.92 41.74 1f5j s ASP 119 CO 0.00 0.37 0.02 -0.63 0.21 0.00 0.00 175.17 175.14 1f5j s ILE 120 N -1.09 4.44 0.05 0.77 1.01 -0.15 -0.72 121.20 125.52 1f5j s ILE 120 Ca 0.19 -0.18 -0.00 0.00 0.00 0.00 0.00 60.65 60.66 1f5j s ILE 120 Cb -0.13 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 1f5j s ILE 120 CO 0.08 0.55 -0.04 -0.31 0.00 0.00 0.00 174.94 175.22 1f5j s TYR 121 N -0.36 0.56 -0.07 3.97 1.51 -0.38 0.36 117.35 122.95 1f5j s TYR 121 Ca 0.08 -0.93 0.03 0.00 -1.01 0.00 0.00 57.07 55.24 1f5j s TYR 121 Cb -0.12 -0.39 0.01 0.00 -0.11 0.00 0.00 41.96 41.35 1f5j s TYR 121 CO 0.02 -0.29 -0.16 0.50 -1.11 0.00 0.00 175.55 174.51 1f5j s ARG 122 N -3.40 2.06 0.34 -0.62 3.00 -1.26 -0.75 118.95 118.32 1f5j s ARG 122 Ca 0.04 -0.56 0.03 0.00 -1.00 0.00 0.00 55.73 54.24 1f5j s ARG 122 Cb 0.04 -1.65 -0.04 0.00 0.00 0.00 0.00 34.95 33.30 1f5j s ARG 122 CO -0.07 0.09 0.13 0.95 0.00 0.00 0.00 175.30 176.40 1f5j s THR 123 N 0.50 0.60 0.01 4.11 -4.23 -0.48 -4.80 115.64 111.35 1f5j s THR 123 Ca -0.14 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.38 1f5j s THR 123 Cb -0.16 -2.51 -0.01 0.00 1.34 0.00 0.00 72.50 71.16 1f5j s THR 123 CO 0.05 0.00 -0.05 -0.89 -0.54 0.00 0.00 174.62 173.19 1f5j s THR 124 N -3.41 0.34 -0.06 3.99 2.01 -1.26 -0.42 115.64 116.82 1f5j s THR 124 Ca 0.32 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 61.85 1f5j s THR 124 Cb 0.05 -0.35 -0.00 0.00 0.01 0.00 0.00 72.50 72.21 1f5j s THR 124 CO 0.16 -0.12 -0.19 -0.13 -0.69 0.00 0.00 174.62 173.64 1f5j s ARG 125 N -0.67 2.18 -0.17 4.92 1.81 0.58 -4.94 118.95 122.66 1f5j s ARG 125 Ca -0.04 -0.70 -0.03 0.00 -1.72 0.00 0.00 55.73 53.24 1f5j s ARG 125 Cb -0.05 -1.81 -0.02 0.00 -0.45 0.00 0.00 34.95 32.63 1f5j s ARG 125 CO -0.00 0.23 -0.05 0.08 -0.68 0.00 0.00 175.30 174.88 1f5j s VAL 126 N 0.14 3.60 -1.15 3.52 1.01 -1.26 -1.22 120.40 125.03 1f5j s VAL 126 Ca -0.08 -0.45 -0.28 0.00 0.00 0.00 0.00 61.98 61.17 1f5j s VAL 126 Cb -0.14 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.68 1f5j s VAL 126 CO 0.04 0.47 0.70 0.59 0.00 0.00 0.00 175.10 176.90 1f5j n ASN 127 N 3.98 -4.54 -4.58 3.32 3.02 -0.80 -4.92 115.26 110.74 1f5j n ASN 127 Ca -0.18 -1.19 -0.25 0.00 -0.03 0.00 0.00 54.58 52.93 1f5j n ASN 127 Cb 0.52 -2.11 -0.09 0.00 -0.61 0.00 0.00 39.78 37.49 1f5j n ASN 127 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1f5j s GLN 128 N -6.81 1.94 0.52 3.52 -1.52 0.21 -4.70 119.66 112.81 1f5j s GLN 128 Ca 0.44 -1.80 -0.23 0.00 -1.95 0.00 0.00 55.36 51.82 1f5j s GLN 128 Cb -0.22 -1.84 -0.06 0.00 -0.22 0.00 0.00 33.01 30.67 1f5j s GLN 128 CO 0.94 0.18 1.35 -2.30 -0.25 0.00 0.00 175.29 175.21 1f5j n PRO 129 N -0.84 1.79 -3.91 2.91 -0.02 -1.26 -1.37 135.00 132.29 1f5j n PRO 129 Ca -0.05 0.65 -0.09 0.00 -2.02 0.00 0.00 63.50 61.99 1f5j n PRO 129 Cb 0.62 -2.55 -0.02 0.00 -0.02 0.00 0.00 33.50 31.53 1f5j n PRO 129 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1f5j s SER 130 N -0.80 0.00 0.17 2.55 1.04 -1.13 -4.83 113.70 110.70 1f5j s SER 130 Ca 0.69 -0.95 0.18 0.00 0.48 0.00 0.00 55.95 56.35 1f5j s SER 130 Cb -0.43 0.72 0.80 0.00 0.10 0.00 0.00 66.02 67.20 1f5j s SER 130 CO 0.52 -1.38 1.54 2.30 0.98 0.00 0.00 173.24 177.19 1f5j n ILE 131 N -0.47 1.08 -0.47 -1.02 -5.35 -1.26 -2.01 119.36 109.86 1f5j n ILE 131 Ca -0.04 0.38 0.05 0.00 -0.27 0.00 0.00 62.75 62.87 1f5j n ILE 131 Cb 0.60 -1.30 0.10 0.00 -1.74 0.00 0.00 39.64 37.31 1f5j n ILE 131 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 1f5j n VAL 132 N -1.96 1.43 0.00 7.28 0.24 -1.26 -5.11 118.33 118.95 1f5j n VAL 132 Ca 0.01 -1.48 0.00 0.00 -2.04 0.00 0.00 64.34 60.83 1f5j n VAL 132 Cb 0.14 0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 1f5j n VAL 132 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1f5j n GLY 133 N -0.58 -2.23 3.68 7.63 0.00 -0.85 -4.94 105.19 107.90 1f5j n GLY 133 Ca 0.10 -2.14 -0.45 0.00 0.00 0.00 0.00 46.02 43.53 1f5j n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1f5j n THR 134 N -0.11 0.32 -3.88 2.61 -1.04 -1.26 -2.83 114.28 108.08 1f5j n THR 134 Ca 0.00 -0.06 -0.07 0.00 -2.04 0.00 0.00 64.05 61.88 1f5j n THR 134 Cb 0.00 -1.90 -0.02 0.00 -1.82 0.00 0.00 70.33 66.58 1f5j n THR 134 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1f5j s ALA 135 N 2.54 -1.03 -0.13 2.41 0.00 -0.47 -4.88 121.76 120.20 1f5j s ALA 135 Ca 0.84 -0.42 -0.01 0.00 0.00 0.00 0.00 51.96 52.36 1f5j s ALA 135 Cb -0.59 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 1f5j s ALA 135 CO 0.41 -1.01 -0.11 0.99 0.00 0.00 0.00 175.76 176.04 1f5j s THR 136 N -3.86 3.27 0.17 0.00 2.01 -1.26 -0.62 115.64 115.35 1f5j s THR 136 Ca 0.13 -0.59 -0.21 0.00 0.31 0.00 0.00 61.69 61.33 1f5j s THR 136 Cb -0.05 -2.38 0.06 0.00 0.01 0.00 0.00 72.50 70.13 1f5j s THR 136 CO 0.08 0.52 0.58 0.72 -0.69 0.00 0.00 174.62 175.83 1f5j s PHE 137 N 0.26 -0.42 0.49 4.92 -0.12 -0.36 -4.94 117.98 117.82 1f5j s PHE 137 Ca -0.08 0.15 -0.03 0.00 -0.05 0.00 0.00 56.93 56.93 1f5j s PHE 137 Cb -0.15 0.52 -0.01 0.00 -0.63 0.00 0.00 43.02 42.75 1f5j s PHE 137 CO 0.05 -0.88 0.76 -0.51 -0.05 0.00 0.00 175.22 174.59 1f5j s ASP 138 N -2.79 5.86 -0.03 1.98 1.01 -1.25 -0.30 116.67 121.15 1f5j s ASP 138 Ca 0.03 0.55 0.05 0.00 0.71 0.00 0.00 52.55 53.89 1f5j s ASP 138 Cb -0.01 -1.75 -0.01 0.00 1.01 0.00 0.00 42.92 42.16 1f5j s ASP 138 CO -0.10 -0.77 -0.19 -1.10 0.21 0.00 0.00 175.17 173.23 1f5j s GLN 139 N -4.71 1.75 -0.10 8.23 -0.21 0.43 -2.36 119.66 122.70 1f5j s GLN 139 Ca 0.49 -0.67 0.00 0.00 0.02 0.00 0.00 55.36 55.20 1f5j s GLN 139 Cb -0.10 -1.59 -0.02 0.00 1.00 0.00 0.00 33.01 32.29 1f5j s GLN 139 CO 0.41 0.34 -0.10 0.71 -2.12 0.00 0.00 175.29 174.53 1f5j s TYR 140 N -0.21 2.87 0.07 0.91 2.02 -0.87 -1.38 117.35 120.76 1f5j s TYR 140 Ca 0.01 -0.25 0.05 0.00 -0.37 0.00 0.00 57.07 56.51 1f5j s TYR 140 Cb -0.10 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.66 1f5j s TYR 140 CO 0.01 0.09 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.37 1f5j s TRP 141 N -0.28 1.15 -0.10 2.71 0.52 0.07 -0.84 118.94 122.17 1f5j s TRP 141 Ca 0.03 -0.46 -0.01 0.00 0.02 0.00 0.00 56.10 55.69 1f5j s TRP 141 Cb -0.13 -0.65 0.03 0.00 -1.15 0.00 0.00 33.47 31.57 1f5j s TRP 141 CO 0.03 0.04 -0.05 -1.12 0.02 0.00 0.00 176.95 175.87 1f5j s SER 142 N -1.68 2.04 -0.15 2.95 0.01 -0.59 -1.25 113.70 115.04 1f5j s SER 142 Ca -0.03 -0.26 0.01 0.00 1.31 0.00 0.00 55.95 56.98 1f5j s SER 142 Cb -0.10 -0.72 0.02 0.00 0.21 0.00 0.00 66.02 65.43 1f5j s SER 142 CO 0.02 -0.15 -0.17 -0.69 0.41 0.00 0.00 173.24 172.66 1f5j s VAL 143 N 1.79 1.74 0.52 3.43 1.01 0.10 -0.22 120.40 128.77 1f5j s VAL 143 Ca 0.05 -0.75 -0.22 0.00 0.00 0.00 0.00 61.98 61.05 1f5j s VAL 143 Cb -0.13 -1.59 -0.06 0.00 0.00 0.00 0.00 36.38 34.61 1f5j s VAL 143 CO -0.07 0.49 1.34 -0.60 0.00 0.00 0.00 175.10 176.25 1f5j s ARG 144 N 1.25 3.29 0.44 2.72 3.52 -0.47 -1.17 118.95 128.52 1f5j s ARG 144 Ca 0.01 2.19 0.28 0.00 -0.13 0.00 0.00 55.73 58.08 1f5j s ARG 144 Cb -0.14 -2.32 0.96 0.00 -1.56 0.00 0.00 34.95 31.89 1f5j s ARG 144 CO -0.08 -1.06 1.82 1.79 -0.81 0.00 0.00 175.30 176.96 1f5j h THR 145 N 1.60 0.00 -3.51 4.11 1.35 -1.47 -3.45 112.91 111.53 1f5j h THR 145 Ca -0.51 -0.61 -0.14 0.00 -0.55 0.00 0.00 66.41 64.60 1f5j h THR 145 Cb 1.29 1.57 -0.20 0.00 -1.73 0.00 0.00 68.15 69.08 1f5j h THR 145 CO 0.58 0.00 -0.48 -0.44 -0.25 0.00 0.00 175.52 174.93 1f5j s SER 146 N -5.52 0.03 0.35 5.36 0.01 -1.26 -5.13 113.70 107.54 1f5j s SER 146 Ca 0.04 -0.23 -0.28 0.00 1.31 0.00 0.00 55.95 56.80 1f5j s SER 146 Cb 0.08 0.22 -0.09 0.00 0.21 0.00 0.00 66.02 66.43 1f5j s SER 146 CO 0.56 -0.40 1.23 -0.54 0.41 0.00 0.00 173.24 174.51 1f5j s LYS 147 N -1.55 4.30 0.01 12.44 1.02 -1.26 -4.87 119.74 129.83 1f5j s LYS 147 Ca -0.13 2.03 0.01 0.00 0.02 0.00 0.00 55.97 57.89 1f5j s LYS 147 Cb -0.07 -2.96 -0.01 0.00 -0.52 0.00 0.00 37.83 34.27 1f5j s LYS 147 CO 0.01 -0.17 -0.03 1.03 -0.92 0.00 0.00 175.35 175.27 1f5j s ARG 148 N -1.90 0.26 -0.01 1.68 0.52 0.07 -4.98 118.95 114.60 1f5j s ARG 148 Ca 0.51 -0.32 0.01 0.00 -0.52 0.00 0.00 55.73 55.41 1f5j s ARG 148 Cb -0.36 -0.11 0.02 0.00 0.52 0.00 0.00 34.95 35.02 1f5j s ARG 148 CO 0.46 0.02 0.84 0.25 0.02 0.00 0.00 175.30 176.90 1f5j n THR 149 N 2.41 0.69 -3.60 0.02 -2.24 -1.26 -3.62 114.28 106.67 1f5j n THR 149 Ca -0.17 -0.71 -0.12 0.00 -2.27 0.00 0.00 64.05 60.77 1f5j n THR 149 Cb 0.57 0.61 -0.06 0.00 -2.10 0.00 0.00 70.33 69.35 1f5j n THR 149 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1f5j s SER 150 N -0.80 -0.54 0.00 3.42 1.04 -1.26 -1.54 113.70 114.02 1f5j s SER 150 Ca 0.02 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.31 1f5j s SER 150 Cb 0.02 0.80 0.00 0.00 0.10 0.00 0.00 66.02 66.94 1f5j s SER 150 CO 0.00 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1f5j n GLY 151 N 1.69 0.31 3.34 7.32 0.00 -0.29 -4.99 105.19 112.57 1f5j n GLY 151 Ca -0.14 -1.59 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 1f5j n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f5j s THR 152 N -2.84 2.30 -0.20 2.61 2.01 -1.26 -0.59 115.64 117.67 1f5j s THR 152 Ca 0.00 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 61.01 1f5j s THR 152 Cb 0.00 -1.84 0.03 0.00 0.01 0.00 0.00 72.50 70.71 1f5j s THR 152 CO 0.00 0.58 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.66 1f5j s VAL 153 N -0.50 1.99 -1.12 3.82 1.01 0.52 -4.84 120.40 121.27 1f5j s VAL 153 Ca 0.07 -1.12 -0.17 0.00 0.00 0.00 0.00 61.98 60.76 1f5j s VAL 153 Cb -0.11 -1.92 0.13 0.00 0.00 0.00 0.00 36.38 34.48 1f5j s VAL 153 CO 0.01 0.32 1.38 -0.89 0.00 0.00 0.00 175.10 175.91 1f5j s THR 154 N 1.27 4.72 0.26 3.92 2.01 -1.26 -0.96 115.64 125.59 1f5j s THR 154 Ca 0.00 -2.05 -0.04 0.00 0.31 0.00 0.00 61.69 59.91 1f5j s THR 154 Cb -0.15 -4.92 0.28 0.00 0.01 0.00 0.00 72.50 67.71 1f5j s THR 154 CO -0.10 -1.67 1.65 0.58 -0.69 0.00 0.00 174.62 174.39 1f5j h VAL 155 N 5.33 0.36 0.00 3.82 2.07 -1.76 -0.20 116.25 125.88 1f5j h VAL 155 Ca 0.28 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.73 1f5j h VAL 155 Cb 0.93 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1f5j h VAL 155 CO 1.25 0.03 -0.06 0.71 0.02 0.00 0.00 177.57 179.51 1f5j h THR 156 N 0.16 0.31 -0.15 2.57 1.35 -1.89 -1.38 112.91 113.88 1f5j h THR 156 Ca 0.45 -0.40 -0.14 0.00 -0.55 0.00 0.00 66.41 65.77 1f5j h THR 156 Cb 0.83 1.30 -0.01 0.00 -1.73 0.00 0.00 68.15 68.54 1f5j h THR 156 CO -0.64 0.06 -0.49 0.44 -0.25 0.00 0.00 175.52 174.64 1f5j h ASP 157 N 0.00 0.42 -0.17 5.36 5.19 -1.34 -1.85 116.42 124.02 1f5j h ASP 157 Ca -0.00 -0.21 -0.18 0.00 -0.62 0.00 0.00 57.03 56.03 1f5j h ASP 157 Cb 0.30 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.69 1f5j h ASP 157 CO 0.01 0.84 -0.55 0.45 -3.12 0.00 0.00 179.24 176.87 1f5j h HIS 158 N 0.31 0.96 -0.84 4.55 3.86 -1.24 -1.14 115.15 121.61 1f5j h HIS 158 Ca 0.01 -0.34 0.02 0.00 -1.16 0.00 0.00 60.37 58.90 1f5j h HIS 158 Cb 0.98 -0.18 -0.05 0.00 1.06 0.00 0.00 27.41 29.22 1f5j h HIS 158 CO 0.03 1.14 0.54 0.74 0.86 0.00 0.00 177.93 181.24 1f5j h PHE 159 N 0.59 1.03 -0.46 2.45 0.04 -1.14 0.17 116.94 119.62 1f5j h PHE 159 Ca 0.01 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.72 1f5j h PHE 159 Cb 1.14 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.93 1f5j h PHE 159 CO 0.06 0.62 -0.07 -0.09 -0.60 0.00 0.00 178.31 178.23 1f5j h ARG 160 N 1.08 0.86 -0.93 1.51 2.43 -1.17 -1.38 114.38 116.79 1f5j h ARG 160 Ca 0.32 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1f5j h ARG 160 Cb -0.06 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 1f5j h ARG 160 CO -0.09 0.94 0.54 0.00 -1.51 0.00 0.00 179.97 179.85 1f5j h ALA 161 N 0.89 1.21 -0.28 2.80 0.00 -0.55 -0.85 119.26 122.48 1f5j h ALA 161 Ca 0.12 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1f5j h ALA 161 Cb 0.60 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1f5j h ALA 161 CO 0.04 0.66 -0.03 -1.49 0.00 0.00 0.00 179.25 178.43 1f5j h TRP 162 N 1.29 0.58 -0.60 0.00 6.55 -0.80 -2.96 115.95 120.01 1f5j h TRP 162 Ca 0.33 -0.11 0.04 0.00 0.95 0.00 0.00 58.89 60.10 1f5j h TRP 162 Cb -0.03 -0.15 -0.05 0.00 -0.86 0.00 0.00 29.16 28.08 1f5j h TRP 162 CO 0.01 0.70 0.34 0.00 -1.05 0.00 0.00 178.44 178.43 1f5j h ALA 163 N 0.81 0.79 -0.21 1.49 0.00 -0.85 -0.22 119.26 121.07 1f5j h ALA 163 Ca 0.08 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1f5j h ALA 163 Cb 0.49 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1f5j h ALA 163 CO 0.02 0.03 0.17 -0.91 0.00 0.00 0.00 179.25 178.57 1f5j h ASN 164 N 0.65 0.00 -0.57 0.00 -0.26 -1.06 -0.51 115.58 113.83 1f5j h ASN 164 Ca 0.26 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.99 1f5j h ASN 164 Cb 0.11 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.37 1f5j h ASN 164 CO -0.15 0.00 0.01 0.54 -1.06 0.00 0.00 177.43 176.78 1f5j n ARG 165 N -4.16 4.76 -0.91 0.81 1.74 -0.23 -4.92 116.66 113.74 1f5j n ARG 165 Ca 0.02 -3.06 0.00 0.00 -0.77 0.00 0.00 57.85 54.04 1f5j n ARG 165 Cb 0.31 -2.25 0.00 0.00 -1.02 0.00 0.00 32.46 29.50 1f5j n ARG 165 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1f5j n GLY 166 N 0.58 0.53 3.34 -0.13 0.00 -0.20 -5.01 105.19 104.31 1f5j n GLY 166 Ca 0.28 -0.11 -0.46 0.00 0.00 0.00 0.00 46.02 45.73 1f5j n GLY 166 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1f5j s LEU 167 N 0.00 5.90 -0.05 0.99 1.43 -0.37 -4.99 118.68 121.59 1f5j s LEU 167 Ca 0.00 -1.78 -0.30 0.00 -1.03 0.00 0.00 54.13 51.03 1f5j s LEU 167 Cb 0.00 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 1f5j s LEU 167 CO 0.00 -0.93 1.07 0.21 0.23 0.00 0.00 176.35 176.92 1f5j s ASN 168 N 3.43 7.21 -0.10 2.29 2.47 -1.26 -3.33 114.94 125.65 1f5j s ASN 168 Ca 0.10 1.68 -0.01 0.00 0.42 0.00 0.00 52.86 55.04 1f5j s ASN 168 Cb -0.24 -2.56 -0.03 0.00 -1.45 0.00 0.00 41.25 36.97 1f5j s ASN 168 CO 0.02 -0.44 -0.04 -0.22 -3.72 0.00 0.00 177.10 172.71 1f5j s LEU 169 N 1.72 3.34 0.00 3.21 2.96 -1.26 -4.85 118.68 123.79 1f5j s LEU 169 Ca 0.52 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.44 1f5j s LEU 169 Cb -0.22 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.71 1f5j s LEU 169 CO 0.22 0.31 0.00 0.61 -1.32 0.00 0.00 176.35 176.18 1f5j n GLY 170 N 2.56 1.52 3.66 7.98 0.00 -1.26 -4.81 105.19 114.83 1f5j n GLY 170 Ca -0.18 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 1f5j n GLY 170 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f5j s THR 171 N 2.52 4.00 0.01 2.61 2.01 -0.29 -3.76 115.64 122.74 1f5j s THR 171 Ca 0.00 1.19 -0.30 0.00 0.31 0.00 0.00 61.69 62.89 1f5j s THR 171 Cb 0.00 -3.80 -0.06 0.00 0.01 0.00 0.00 72.50 68.66 1f5j s THR 171 CO 0.00 -0.14 1.36 -0.63 -0.69 0.00 0.00 174.62 174.52 1f5j s ILE 172 N 3.84 3.75 -0.19 1.82 -1.09 -0.70 -0.50 121.20 128.13 1f5j s ILE 172 Ca 0.62 1.17 -0.05 0.00 -2.23 0.00 0.00 60.65 60.16 1f5j s ILE 172 Cb -0.26 -3.75 -0.21 0.00 -1.58 0.00 0.00 42.46 36.67 1f5j s ILE 172 CO 0.21 0.02 0.06 -0.67 -1.23 0.00 0.00 174.94 173.33 1f5j n ASP 173 N 5.04 2.04 -3.49 3.58 2.03 0.15 0.32 116.55 126.21 1f5j n ASP 173 Ca 0.12 0.09 -0.15 0.00 0.52 0.00 0.00 54.79 55.37 1f5j n ASP 173 Cb 0.44 -0.68 -0.04 0.00 -0.72 0.00 0.00 41.12 40.11 1f5j n ASP 173 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f5j s GLN 174 N -2.53 1.14 -0.06 -0.67 -2.07 -1.21 -1.16 119.66 113.10 1f5j s GLN 174 Ca -0.29 -0.09 -0.01 0.00 -1.82 0.00 0.00 55.36 53.15 1f5j s GLN 174 Cb 0.08 0.53 0.03 0.00 -1.09 0.00 0.00 33.01 32.56 1f5j s GLN 174 CO 0.67 -0.42 -0.00 0.42 -1.32 0.00 0.00 175.29 174.63 1f5j s ILE 175 N -2.34 0.35 0.20 3.63 1.01 -0.35 -2.71 121.20 120.99 1f5j s ILE 175 Ca -0.06 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.70 1f5j s ILE 175 Cb -0.00 -0.48 -0.04 0.00 0.01 0.00 0.00 42.46 41.94 1f5j s ILE 175 CO -0.00 0.24 0.09 0.42 0.00 0.00 0.00 174.94 175.68 1f5j s THR 176 N 1.71 0.32 -0.24 2.92 -4.23 0.19 -1.53 115.64 114.78 1f5j s THR 176 Ca 0.01 -1.98 -0.09 0.00 -1.18 0.00 0.00 61.69 58.45 1f5j s THR 176 Cb -0.13 -2.41 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 1f5j s THR 176 CO -0.04 -0.15 0.11 -0.22 -0.54 0.00 0.00 174.62 173.77 1f5j s LEU 177 N -3.20 3.72 0.06 4.79 2.96 -0.29 -0.07 118.68 126.65 1f5j s LEU 177 Ca 0.34 -0.07 0.04 0.00 -0.22 0.00 0.00 54.13 54.22 1f5j s LEU 177 Cb 0.07 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 1f5j s LEU 177 CO 0.10 0.01 -0.12 0.00 -1.32 0.00 0.00 176.35 175.02 1f5j s VAL 179 N -1.27 2.07 0.04 0.00 1.01 0.32 -0.38 120.40 122.19 1f5j s VAL 179 Ca -0.04 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 61.07 1f5j s VAL 179 Cb -0.10 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1f5j s VAL 179 CO 0.02 0.54 -0.19 -0.70 0.00 0.00 0.00 175.10 174.77 1f5j s GLU 180 N 1.26 2.05 0.06 2.72 2.12 -0.33 -0.72 118.70 125.86 1f5j s GLU 180 Ca 0.04 -0.99 0.05 0.00 0.36 0.00 0.00 54.97 54.44 1f5j s GLU 180 Cb -0.13 -2.17 -0.03 0.00 0.26 0.00 0.00 34.13 32.06 1f5j s GLU 180 CO -0.12 0.54 -0.15 0.20 -0.54 0.00 0.00 175.26 175.18 1f5j s GLY 181 N -1.43 0.88 -0.12 -1.50 0.00 0.57 -0.92 107.32 104.80 1f5j s GLY 181 Ca 0.14 -0.94 -0.04 0.00 0.00 0.00 0.00 44.72 43.89 1f5j s GLY 181 CO 0.05 -0.93 0.08 -0.47 0.00 0.00 0.00 173.10 171.83 1f5j s TYR 182 N -1.00 0.14 -1.34 1.90 5.04 -0.47 -1.55 117.35 120.07 1f5j s TYR 182 Ca 0.01 -0.10 -0.14 0.00 -2.44 0.00 0.00 57.07 54.41 1f5j s TYR 182 Cb -0.09 -0.61 0.01 0.00 0.35 0.00 0.00 41.96 41.62 1f5j s TYR 182 CO 0.02 -0.39 0.45 1.04 -1.34 0.00 0.00 175.55 175.33 1f5j n GLN 183 N 5.29 -1.38 -0.95 4.97 6.02 0.12 -4.20 117.38 127.24 1f5j n GLN 183 Ca -0.06 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 1f5j n GLN 183 Cb 0.49 -3.61 0.00 0.00 1.02 0.00 0.00 30.24 28.15 1f5j n GLN 183 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1f5j n SER 184 N -2.66 0.00 -4.26 1.08 3.41 -1.26 -4.71 113.62 105.22 1f5j n SER 184 Ca -0.22 -0.92 -0.14 0.00 -0.26 0.00 0.00 58.87 57.32 1f5j n SER 184 Cb 0.64 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.49 1f5j n SER 184 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1f5j s SER 185 N -0.77 0.92 0.00 4.04 1.04 -1.26 -3.71 113.70 113.95 1f5j s SER 185 Ca 0.00 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 55.11 1f5j s SER 185 Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1f5j s SER 185 CO 0.00 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.12 1f5j n GLY 186 N -0.34 -2.44 3.25 7.32 0.00 -0.34 -0.96 105.19 111.69 1f5j n GLY 186 Ca -0.02 -1.27 -0.11 0.00 0.00 0.00 0.00 46.02 44.62 1f5j n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f5j s SER 187 N -0.84 -0.12 -0.05 1.61 1.04 -0.82 -1.47 113.70 113.04 1f5j s SER 187 Ca 0.00 -0.21 -0.24 0.00 0.48 0.00 0.00 55.95 55.98 1f5j s SER 187 Cb 0.00 0.36 0.05 0.00 0.10 0.00 0.00 66.02 66.54 1f5j s SER 187 CO 0.00 -0.63 0.54 0.00 0.98 0.00 0.00 173.24 174.13 1f5j s ALA 188 N -2.64 -1.39 -0.25 5.32 0.00 -0.10 -0.75 121.76 121.95 1f5j s ALA 188 Ca -0.04 1.00 -0.03 0.00 0.00 0.00 0.00 51.96 52.89 1f5j s ALA 188 Cb -0.01 -0.06 0.08 0.00 0.00 0.00 0.00 23.12 23.13 1f5j s ALA 188 CO -0.04 -0.32 0.08 1.21 0.00 0.00 0.00 175.76 176.69 1f5j s ASN 189 N -1.10 3.33 -0.36 0.00 2.47 0.32 -1.04 114.94 118.56 1f5j s ASN 189 Ca -0.11 -1.14 -0.26 0.00 0.42 0.00 0.00 52.86 51.77 1f5j s ASN 189 Cb -0.02 -0.60 0.01 0.00 -1.45 0.00 0.00 41.25 39.19 1f5j s ASN 189 CO 0.07 -0.37 0.94 -0.63 -3.72 0.00 0.00 177.10 173.39 1f5j s ILE 190 N 1.86 4.59 -2.49 -5.21 1.09 0.97 -0.96 121.20 121.05 1f5j s ILE 190 Ca 0.04 1.28 0.20 0.00 -1.10 0.00 0.00 60.65 61.08 1f5j s ILE 190 Cb -0.17 -4.33 0.20 0.00 -1.06 0.00 0.00 42.46 37.10 1f5j s ILE 190 CO -0.19 -0.51 1.18 0.35 -0.10 0.00 0.00 174.94 175.67 1f5j n THR 191 N 5.93 0.08 -3.64 2.92 -2.24 -0.15 -2.05 114.28 115.13 1f5j n THR 191 Ca 0.08 -0.54 -0.06 0.00 -2.27 0.00 0.00 64.05 61.25 1f5j n THR 191 Cb 0.48 1.35 -0.07 0.00 -2.10 0.00 0.00 70.33 69.99 1f5j n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1f5j s GLN 192 N -1.65 0.58 -0.45 -0.78 0.74 -1.11 -4.88 119.66 112.10 1f5j s GLN 192 Ca 0.25 0.93 0.07 0.00 0.05 0.00 0.00 55.36 56.66 1f5j s GLN 192 Cb 0.17 0.16 0.24 0.00 1.10 0.00 0.00 33.01 34.68 1f5j s GLN 192 CO 0.26 -0.11 0.74 -1.71 -0.55 0.00 0.00 175.29 173.92 1f5j n ASN 193 N 3.68 -1.81 -4.73 6.67 5.15 -1.24 -1.87 115.26 121.10 1f5j n ASN 193 Ca -0.18 -3.05 -0.37 0.00 -0.60 0.00 0.00 54.58 50.38 1f5j n ASN 193 Cb 0.58 0.91 -0.06 0.00 -0.53 0.00 0.00 39.78 40.67 1f5j n ASN 193 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1f5j s THR 194 N 0.04 5.21 -0.12 -0.44 2.01 -0.13 -4.69 115.64 117.53 1f5j s THR 194 Ca 0.33 0.81 -0.05 0.00 0.31 0.00 0.00 61.69 63.10 1f5j s THR 194 Cb 0.19 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1f5j s THR 194 CO -0.19 0.37 0.06 -0.36 -0.69 0.00 0.00 174.62 173.81 1f5j s PHE 195 N 0.42 3.33 -0.08 4.92 0.40 -1.26 -0.69 117.98 125.01 1f5j s PHE 195 Ca 0.23 0.28 0.01 0.00 -0.60 0.00 0.00 56.93 56.84 1f5j s PHE 195 Cb -0.15 -1.90 0.02 0.00 0.51 0.00 0.00 43.02 41.50 1f5j s PHE 195 CO 0.08 0.49 -0.07 0.45 0.70 0.00 0.00 175.22 176.87 1f5j s SER 196 N -0.65 1.70 -0.01 1.36 0.15 0.34 -4.99 113.70 111.60 1f5j s SER 196 Ca 0.11 -0.23 0.05 0.00 0.70 0.00 0.00 55.95 56.59 1f5j s SER 196 Cb -0.12 -0.69 -0.01 0.00 -1.71 0.00 0.00 66.02 63.49 1f5j s SER 196 CO 0.02 -0.07 -0.18 -1.58 1.20 0.00 0.00 173.24 172.63 1f5j s GLN 197 N 1.27 1.43 -0.14 5.44 0.74 -1.26 -0.37 119.66 126.77 1f5j s GLN 197 Ca -0.04 -0.64 -0.14 0.00 0.05 0.00 0.00 55.36 54.58 1f5j s GLN 197 Cb -0.14 -1.39 0.04 0.00 1.10 0.00 0.00 33.01 32.62 1f5j s GLN 197 CO -0.03 0.38 0.40 -1.54 -0.55 0.00 0.00 175.29 173.95 1f5j s SER 198 N -0.45 -0.40 0.00 6.67 1.04 -0.37 -4.98 113.70 115.21 1f5j s SER 198 Ca 0.07 0.74 0.30 0.00 0.48 0.00 0.00 55.95 57.53 1f5j s SER 198 Cb -0.07 0.76 1.52 0.00 0.10 0.00 0.00 66.02 68.33 1f5j s SER 198 CO -0.01 -0.18 2.01 -1.54 0.98 0.00 0.00 173.24 174.51