#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fjh n PHE 1 N 0.00 1.89 -2.90 -1.40 7.35 -1.26 -5.02 117.46 116.12 3fjh n PHE 1 Ca 0.00 -2.12 -0.41 0.00 -0.76 0.00 0.00 57.45 54.16 3fjh n PHE 1 Cb 0.00 -0.28 -0.04 0.00 0.35 0.00 0.00 39.48 39.51 3fjh n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 3fjh s ASN 2 N -3.65 6.91 0.14 -2.13 0.01 -1.26 -5.03 114.94 109.92 3fjh s ASN 2 Ca 0.39 1.12 0.07 0.00 -0.71 0.00 0.00 52.86 53.72 3fjh s ASN 2 Cb 0.36 -2.44 -0.04 0.00 0.41 0.00 0.00 41.25 39.54 3fjh s ASN 2 CO -0.01 -0.42 -0.02 -0.76 -1.51 0.00 0.00 177.10 174.38 3fjh s LEU 3 N 2.30 3.29 0.52 0.60 1.43 -1.26 -0.87 118.68 124.69 3fjh s LEU 3 Ca 0.37 -0.34 -0.18 0.00 -1.03 0.00 0.00 54.13 52.95 3fjh s LEU 3 Cb -0.16 -1.99 -0.07 0.00 0.03 0.00 0.00 46.19 44.00 3fjh s LEU 3 CO 0.11 0.13 1.04 -2.16 0.23 0.00 0.00 176.35 175.70 3fjh s PRO 4 N -2.61 3.67 0.37 1.29 0.04 -1.26 -4.59 135.00 131.90 3fjh s PRO 4 Ca 0.26 1.25 0.27 0.00 0.04 0.00 0.00 61.00 62.82 3fjh s PRO 4 Cb -0.10 -2.08 1.03 0.00 0.04 0.00 0.00 34.50 33.39 3fjh s PRO 4 CO 0.17 -0.53 1.80 -1.00 0.04 0.00 0.00 177.00 177.49 3fjh h PRO 5 N 1.12 0.00 -7.19 0.56 0.13 -1.99 -3.47 132.00 121.16 3fjh h PRO 5 Ca -0.48 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.22 3fjh h PRO 5 Cb 1.21 0.00 0.20 0.00 0.13 0.00 0.00 31.00 32.54 3fjh h PRO 5 CO 0.59 0.00 0.03 0.20 -0.23 0.00 0.00 178.00 178.59 3fjh s GLY 6 N -3.82 1.52 0.32 1.56 0.00 -1.26 -5.08 107.32 100.57 3fjh s GLY 6 Ca 0.04 -0.40 0.02 0.00 0.00 0.00 0.00 44.72 44.38 3fjh s GLY 6 CO 0.49 0.38 0.06 1.16 0.00 0.00 0.00 173.10 175.19 3fjh n ASN 7 N -4.91 1.97 -0.44 1.64 0.23 -1.26 -5.07 115.26 107.43 3fjh n ASN 7 Ca 0.06 -2.57 0.05 0.00 -0.53 0.00 0.00 54.58 51.59 3fjh n ASN 7 Cb 0.56 0.52 0.12 0.00 -2.08 0.00 0.00 39.78 38.91 3fjh n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3fjh n TYR 8 N -0.77 0.35 -0.20 -2.53 4.01 -1.26 -4.74 117.16 112.03 3fjh n TYR 8 Ca -0.09 -0.59 -0.02 0.00 -0.16 0.00 0.00 57.90 57.04 3fjh n TYR 8 Cb 0.45 -0.08 0.09 0.00 -0.31 0.00 0.00 39.34 39.48 3fjh n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3fjh h LYS 9 N 1.22 0.48 -6.29 -0.72 1.57 -1.98 -3.44 116.57 107.41 3fjh h LYS 9 Ca 0.00 -0.03 -0.59 0.00 -1.87 0.00 0.00 60.65 58.16 3fjh h LYS 9 Cb 0.78 -0.11 -0.12 0.00 0.08 0.00 0.00 32.23 32.86 3fjh h LYS 9 CO 0.03 0.32 -0.69 0.15 -0.57 0.00 0.00 179.45 178.69 3fjh s LYS 10 N -6.10 2.11 0.76 3.15 1.02 -1.26 -5.10 119.74 114.31 3fjh s LYS 10 Ca -0.13 -1.42 -0.11 0.00 0.02 0.00 0.00 55.97 54.33 3fjh s LYS 10 Cb 0.16 -2.10 0.05 0.00 -0.52 0.00 0.00 37.83 35.42 3fjh s LYS 10 CO 0.74 0.38 1.10 -1.25 -0.92 0.00 0.00 175.35 175.41 3fjh s PRO 11 N -3.34 2.30 0.18 -1.68 0.04 -1.26 -4.73 135.00 126.50 3fjh s PRO 11 Ca 0.29 1.23 -0.01 0.00 0.04 0.00 0.00 61.00 62.55 3fjh s PRO 11 Cb -0.07 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 3fjh s PRO 11 CO 0.17 -1.62 0.09 0.15 0.04 0.00 0.00 177.00 175.83 3fjh s LYS 12 N -4.74 1.11 -0.10 4.56 -0.14 0.88 -4.03 119.74 117.30 3fjh s LYS 12 Ca 0.63 -1.57 -0.03 0.00 -1.36 0.00 0.00 55.97 53.64 3fjh s LYS 12 Cb -0.18 0.16 -0.03 0.00 -1.68 0.00 0.00 37.83 36.10 3fjh s LYS 12 CO 0.53 -0.31 0.02 -0.51 -0.76 0.00 0.00 175.35 174.32 3fjh s LEU 13 N -3.14 3.66 -0.47 3.17 1.43 0.13 -0.97 118.68 122.48 3fjh s LEU 13 Ca 0.32 0.16 -0.10 0.00 -1.03 0.00 0.00 54.13 53.48 3fjh s LEU 13 Cb 0.07 -1.85 0.12 0.00 0.03 0.00 0.00 46.19 44.56 3fjh s LEU 13 CO 0.08 0.36 0.36 -0.76 0.23 0.00 0.00 176.35 176.61 3fjh s LEU 14 N -0.77 5.70 -0.12 1.79 1.43 -1.26 0.14 118.68 125.59 3fjh s LEU 14 Ca 0.12 -1.85 -0.20 0.00 -1.03 0.00 0.00 54.13 51.17 3fjh s LEU 14 Cb -0.12 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 3fjh s LEU 14 CO 0.02 -0.70 0.58 -0.47 0.23 0.00 0.00 176.35 176.01 3fjh s TYR 15 N 1.40 3.50 -0.30 0.29 5.04 -0.06 -1.31 117.35 125.91 3fjh s TYR 15 Ca 0.05 1.01 -0.11 0.00 -2.44 0.00 0.00 57.07 55.58 3fjh s TYR 15 Cb -0.26 -2.68 -0.02 0.00 0.35 0.00 0.00 41.96 39.34 3fjh s TYR 15 CO 0.00 0.07 0.18 0.00 -1.34 0.00 0.00 175.55 174.46 3fjh h SER 17 N 8.38 0.00 -0.00 0.00 0.02 -1.81 0.00 113.55 120.14 3fjh h SER 17 Ca -0.34 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.63 3fjh h SER 17 Cb 1.17 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.66 3fjh h SER 17 CO 0.60 0.07 -0.44 -1.13 -1.14 0.00 0.00 176.83 174.78 3fjh h ASN 18 N 0.00 -1.37 -0.02 3.07 -1.24 -1.82 -3.28 115.58 110.92 3fjh h ASN 18 Ca -0.00 0.15 0.00 0.00 0.71 0.00 0.00 56.30 57.16 3fjh h ASN 18 Cb 0.33 0.52 0.00 0.00 0.73 0.00 0.00 38.32 39.90 3fjh h ASN 18 CO 0.01 -0.43 0.00 0.61 -1.29 0.00 0.00 177.43 176.33 3fjh n GLY 19 N -1.38 0.54 2.04 1.57 0.00 -1.23 -4.77 105.19 101.95 3fjh n GLY 19 Ca -0.06 -0.04 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 3fjh n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fjh n GLY 20 N -0.13 0.33 3.53 -0.02 0.00 -0.03 -4.99 105.19 103.88 3fjh n GLY 20 Ca 0.01 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 3fjh n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fjh s HIS 21 N -3.11 2.60 -0.09 1.61 3.76 -1.08 -4.57 115.29 114.41 3fjh s HIS 21 Ca 0.11 -0.23 -0.13 0.00 -0.15 0.00 0.00 55.06 54.67 3fjh s HIS 21 Cb -0.05 -1.35 -0.05 0.00 1.11 0.00 0.00 32.58 32.24 3fjh s HIS 21 CO 0.24 0.43 0.31 -0.06 -0.85 0.00 0.00 174.74 174.81 3fjh s PHE 22 N -1.30 3.59 0.27 1.40 0.08 0.08 -0.06 117.98 122.04 3fjh s PHE 22 Ca 0.20 0.74 -0.30 0.00 0.12 0.00 0.00 56.93 57.69 3fjh s PHE 22 Cb -0.10 -2.25 -0.10 0.00 -0.57 0.00 0.00 43.02 40.00 3fjh s PHE 22 CO 0.12 0.48 1.42 -1.17 -0.10 0.00 0.00 175.22 175.98 3fjh s LEU 23 N -0.38 4.39 -0.02 -0.37 2.96 -0.43 -1.77 118.68 123.05 3fjh s LEU 23 Ca 0.19 2.70 0.03 0.00 -0.22 0.00 0.00 54.13 56.83 3fjh s LEU 23 Cb -0.14 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.92 3fjh s LEU 23 CO 0.08 -0.69 -0.10 -0.60 -1.32 0.00 0.00 176.35 173.72 3fjh s ARG 24 N -0.71 0.99 -0.32 1.98 3.52 0.10 -4.48 118.95 120.03 3fjh s ARG 24 Ca 0.57 -0.33 0.02 0.00 -0.13 0.00 0.00 55.73 55.86 3fjh s ARG 24 Cb -0.42 -0.92 0.08 0.00 -1.56 0.00 0.00 34.95 32.13 3fjh s ARG 24 CO 0.46 0.13 0.02 0.42 -0.81 0.00 0.00 175.30 175.53 3fjh s ILE 25 N 0.13 2.55 0.64 4.11 1.01 -0.93 -1.57 121.20 127.14 3fjh s ILE 25 Ca -0.02 -1.94 -0.15 0.00 0.00 0.00 0.00 60.65 58.54 3fjh s ILE 25 Cb -0.08 -2.68 -0.01 0.00 0.01 0.00 0.00 42.46 39.70 3fjh s ILE 25 CO 0.00 -0.38 1.09 -0.76 0.00 0.00 0.00 174.94 174.90 3fjh s LEU 26 N 1.06 3.41 0.50 2.97 1.43 0.13 -4.84 118.68 123.34 3fjh s LEU 26 Ca 0.02 1.91 0.23 0.00 -1.03 0.00 0.00 54.13 55.26 3fjh s LEU 26 Cb -0.20 -4.54 1.30 0.00 0.03 0.00 0.00 46.19 42.78 3fjh s LEU 26 CO -0.05 -1.47 1.97 -0.65 0.23 0.00 0.00 176.35 176.38 3fjh h PRO 27 N 0.11 0.12 -0.08 1.29 0.11 -1.98 -0.38 132.00 131.18 3fjh h PRO 27 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3fjh h PRO 27 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3fjh h PRO 27 CO 0.55 0.08 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 3fjh n ASP 28 N -4.40 0.62 0.00 -2.05 5.75 -1.26 -4.86 116.55 110.34 3fjh n ASP 28 Ca 0.11 -1.70 0.00 0.00 -0.01 0.00 0.00 54.79 53.20 3fjh n ASP 28 Cb 0.59 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 3fjh n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fjh n GLY 29 N 0.83 0.75 3.78 6.12 0.00 -0.15 -4.98 105.19 111.54 3fjh n GLY 29 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3fjh n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fjh s THR 30 N -2.49 3.27 -0.04 2.61 2.01 -1.25 -1.13 115.64 118.61 3fjh s THR 30 Ca 0.00 0.86 0.04 0.00 0.31 0.00 0.00 61.69 62.90 3fjh s THR 30 Cb 0.00 -3.39 -0.00 0.00 0.01 0.00 0.00 72.50 69.12 3fjh s THR 30 CO 0.00 -0.10 -0.15 -0.69 -0.69 0.00 0.00 174.62 172.98 3fjh s VAL 31 N -1.71 1.29 0.00 3.82 1.01 -1.26 -0.69 120.40 122.86 3fjh s VAL 31 Ca 0.68 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.01 3fjh s VAL 31 Cb -0.24 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.03 3fjh s VAL 31 CO 0.29 0.38 0.00 -0.90 0.00 0.00 0.00 175.10 174.86 3fjh n ASP 32 N 3.14 0.00 -4.24 3.32 5.75 -0.61 -4.52 116.55 119.39 3fjh n ASP 32 Ca -0.18 -0.26 -0.19 0.00 -0.01 0.00 0.00 54.79 54.15 3fjh n ASP 32 Cb 0.53 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.51 3fjh n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3fjh s GLY 33 N -0.50 1.08 0.01 6.12 0.00 0.26 0.03 107.32 114.31 3fjh s GLY 33 Ca 0.00 -1.25 -0.04 0.00 0.00 0.00 0.00 44.72 43.43 3fjh s GLY 33 CO 0.00 -1.30 0.06 -1.08 0.00 0.00 0.00 173.10 170.79 3fjh s THR 34 N -1.89 0.08 -1.94 0.90 -1.32 -0.73 -4.82 115.64 105.93 3fjh s THR 34 Ca 0.07 -0.70 0.26 0.00 -1.21 0.00 0.00 61.69 60.11 3fjh s THR 34 Cb -0.06 -0.32 0.25 0.00 -1.51 0.00 0.00 72.50 70.85 3fjh s THR 34 CO 0.03 -0.38 1.49 0.54 -2.21 0.00 0.00 174.62 174.09 3fjh n ARG 35 N 1.70 1.06 -2.54 7.08 1.74 -1.26 -0.74 116.66 123.70 3fjh n ARG 35 Ca -0.22 -0.69 -0.41 0.00 -0.77 0.00 0.00 57.85 55.76 3fjh n ARG 35 Cb 0.56 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 3fjh n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3fjh s ASP 36 N -2.42 6.14 0.10 0.55 2.15 -1.26 -4.87 116.67 117.07 3fjh s ASP 36 Ca 0.25 -0.43 0.12 0.00 0.43 0.00 0.00 52.55 52.92 3fjh s ASP 36 Cb 0.19 -2.56 0.54 0.00 -0.30 0.00 0.00 42.92 40.79 3fjh s ASP 36 CO 0.50 -1.85 1.36 -1.14 -0.17 0.00 0.00 175.17 173.87 3fjh n ARG 37 N 9.37 0.06 0.00 4.34 0.63 -1.26 -1.35 116.66 128.44 3fjh n ARG 37 Ca 0.03 0.45 0.13 0.00 -0.92 0.00 0.00 57.85 57.55 3fjh n ARG 37 Cb 0.49 -1.64 0.49 0.00 0.45 0.00 0.00 32.46 32.24 3fjh n ARG 37 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3fjh n SER 38 N -1.75 0.54 -4.72 6.15 3.41 -1.26 -4.91 113.62 111.08 3fjh n SER 38 Ca 0.01 -0.45 -0.43 0.00 -0.26 0.00 0.00 58.87 57.75 3fjh n SER 38 Cb 0.09 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.01 3fjh n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3fjh n ASP 39 N -1.06 3.36 -0.49 4.04 -0.08 -0.46 -4.90 116.55 116.97 3fjh n ASP 39 Ca 0.11 1.16 0.10 0.00 -1.51 0.00 0.00 54.79 54.65 3fjh n ASP 39 Cb 0.31 -1.53 0.38 0.00 2.34 0.00 0.00 41.12 42.63 3fjh n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3fjh n GLN 40 N 1.79 1.64 -0.27 -0.67 1.13 -1.26 -3.95 117.38 115.79 3fjh n GLN 40 Ca 0.08 -0.96 0.09 0.00 -1.94 0.00 0.00 57.00 54.27 3fjh n GLN 40 Cb 0.35 -1.37 0.19 0.00 0.11 0.00 0.00 30.24 29.52 3fjh n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3fjh n HIS 41 N 0.19 0.42 0.50 1.08 8.25 -1.26 -4.53 115.22 119.87 3fjh n HIS 41 Ca 0.16 -1.00 0.05 0.00 -0.26 0.00 0.00 57.72 56.67 3fjh n HIS 41 Cb 0.29 -0.23 -0.01 0.00 1.12 0.00 0.00 29.99 31.16 3fjh n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3fjh n ILE 42 N -1.05 0.00 -2.69 1.59 -5.35 -1.25 -2.19 119.36 108.43 3fjh n ILE 42 Ca 0.19 -0.36 -0.43 0.00 -0.27 0.00 0.00 62.75 61.88 3fjh n ILE 42 Cb 0.76 1.11 -0.02 0.00 -1.74 0.00 0.00 39.64 39.75 3fjh n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3fjh s GLN 43 N -1.54 4.20 -0.05 6.28 1.11 -1.26 -4.49 119.66 123.91 3fjh s GLN 43 Ca 0.09 1.23 0.06 0.00 0.01 0.00 0.00 55.36 56.74 3fjh s GLN 43 Cb 0.09 -3.66 -0.01 0.00 -1.01 0.00 0.00 33.01 28.42 3fjh s GLN 43 CO 0.30 -0.68 -0.22 -0.51 0.01 0.00 0.00 175.29 174.19 3fjh s LEU 44 N 3.26 2.02 -0.24 2.90 1.43 -0.14 -1.60 118.68 126.30 3fjh s LEU 44 Ca 0.43 -0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 53.00 3fjh s LEU 44 Cb -0.14 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.82 3fjh s LEU 44 CO 0.08 0.22 0.08 -1.58 0.23 0.00 0.00 176.35 175.38 3fjh s GLN 45 N -0.14 3.74 0.08 1.70 2.00 0.18 -0.08 119.66 127.13 3fjh s GLN 45 Ca -0.02 -0.44 0.01 0.00 -2.00 0.00 0.00 55.36 52.90 3fjh s GLN 45 Cb -0.12 -3.32 -0.04 0.00 0.80 0.00 0.00 33.01 30.32 3fjh s GLN 45 CO 0.03 -0.09 0.22 -0.51 -0.50 0.00 0.00 175.29 174.43 3fjh s LEU 46 N 1.36 4.32 -0.04 3.68 1.02 -1.26 -0.54 118.68 127.22 3fjh s LEU 46 Ca 0.05 0.23 -0.08 0.00 0.02 0.00 0.00 54.13 54.36 3fjh s LEU 46 Cb -0.15 -2.92 0.01 0.00 0.02 0.00 0.00 46.19 43.16 3fjh s LEU 46 CO 0.04 0.14 0.18 -0.94 0.02 0.00 0.00 176.35 175.80 3fjh s SER 47 N -2.66 -0.12 -0.02 2.29 1.04 -0.88 -4.80 113.70 108.55 3fjh s SER 47 Ca 0.35 0.15 -0.19 0.00 0.48 0.00 0.00 55.95 56.73 3fjh s SER 47 Cb -0.13 0.32 -0.05 0.00 0.10 0.00 0.00 66.02 66.27 3fjh s SER 47 CO 0.28 -0.21 0.55 0.00 0.98 0.00 0.00 173.24 174.84 3fjh s ALA 48 N -0.55 3.52 -0.21 5.32 0.00 -1.26 -1.22 121.76 127.36 3fjh s ALA 48 Ca -0.06 -0.03 -0.16 0.00 0.00 0.00 0.00 51.96 51.70 3fjh s ALA 48 Cb -0.04 -2.68 -0.11 0.00 0.00 0.00 0.00 23.12 20.29 3fjh s ALA 48 CO 0.01 0.19 -0.13 -1.91 0.00 0.00 0.00 175.76 173.92 3fjh n GLU 49 N 2.70 0.54 -4.34 0.00 4.07 -0.56 -4.97 120.64 118.08 3fjh n GLU 49 Ca -0.08 0.42 -0.17 0.00 -0.06 0.00 0.00 57.16 57.26 3fjh n GLU 49 Cb 0.51 -1.61 -0.10 0.00 -0.06 0.00 0.00 31.44 30.18 3fjh n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 3fjh s SER 50 N -6.59 1.61 0.10 4.31 0.01 -1.26 -5.02 113.70 106.86 3fjh s SER 50 Ca -0.28 -1.32 -0.32 0.00 1.31 0.00 0.00 55.95 55.34 3fjh s SER 50 Cb 0.07 0.07 -0.12 0.00 0.21 0.00 0.00 66.02 66.25 3fjh s SER 50 CO 0.45 -0.63 1.79 0.52 0.41 0.00 0.00 173.24 175.78 3fjh n VAL 51 N -0.48 0.32 -0.36 3.43 0.31 -1.26 -0.97 118.33 119.32 3fjh n VAL 51 Ca -0.02 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3fjh n VAL 51 Cb 0.65 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 3fjh n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fjh n GLY 52 N 4.09 1.48 3.59 2.92 0.00 -1.26 -5.03 105.19 110.98 3fjh n GLY 52 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 3fjh n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fjh s GLU 53 N -0.29 2.90 0.09 1.61 2.02 -0.14 -0.91 118.70 123.97 3fjh s GLU 53 Ca 0.00 -0.52 -0.04 0.00 0.02 0.00 0.00 54.97 54.43 3fjh s GLU 53 Cb 0.00 -2.67 -0.03 0.00 0.10 0.00 0.00 34.13 31.54 3fjh s GLU 53 CO 0.00 0.62 0.07 0.14 0.02 0.00 0.00 175.26 176.11 3fjh s VAL 54 N -0.68 0.16 0.07 2.63 -7.23 -0.03 -1.49 120.40 113.83 3fjh s VAL 54 Ca 0.10 -1.63 0.06 0.00 -1.81 0.00 0.00 61.98 58.71 3fjh s VAL 54 Cb -0.11 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 35.19 3fjh s VAL 54 CO 0.02 -0.75 -0.11 -0.31 -0.31 0.00 0.00 175.10 173.64 3fjh s TYR 55 N -3.93 2.72 -0.23 2.82 2.02 -0.35 -1.42 117.35 118.97 3fjh s TYR 55 Ca 0.11 -0.16 0.01 0.00 -0.37 0.00 0.00 57.07 56.66 3fjh s TYR 55 Cb 0.07 -1.47 0.05 0.00 -0.40 0.00 0.00 41.96 40.21 3fjh s TYR 55 CO -0.07 0.38 -0.09 0.42 -1.57 0.00 0.00 175.55 174.61 3fjh s ILE 56 N -1.11 1.76 -0.04 2.71 1.01 -1.26 -2.07 121.20 122.19 3fjh s ILE 56 Ca 0.19 -1.23 0.07 0.00 0.00 0.00 0.00 60.65 59.67 3fjh s ILE 56 Cb -0.11 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 3fjh s ILE 56 CO 0.11 0.05 -0.25 -0.75 0.00 0.00 0.00 174.94 174.10 3fjh s LYS 57 N 1.32 2.32 -0.01 2.79 2.20 0.30 -0.44 119.74 128.21 3fjh s LYS 57 Ca -0.04 -0.88 -0.30 0.00 -0.36 0.00 0.00 55.97 54.38 3fjh s LYS 57 Cb -0.18 -2.05 -0.07 0.00 -1.51 0.00 0.00 37.83 34.02 3fjh s LYS 57 CO -0.07 0.43 1.67 0.45 -0.36 0.00 0.00 175.35 177.47 3fjh s SER 58 N -0.30 6.64 0.30 1.43 0.15 -0.05 0.47 113.70 122.34 3fjh s SER 58 Ca 0.01 2.33 0.13 0.00 0.70 0.00 0.00 55.95 59.12 3fjh s SER 58 Cb -0.12 -2.54 0.43 0.00 -1.71 0.00 0.00 66.02 62.08 3fjh s SER 58 CO 0.02 -0.92 1.64 0.71 1.20 0.00 0.00 173.24 175.89 3fjh h THR 59 N 5.36 1.27 -0.29 6.45 1.35 -1.64 0.15 112.91 125.56 3fjh h THR 59 Ca -0.41 -1.98 -0.17 0.00 -0.55 0.00 0.00 66.41 63.29 3fjh h THR 59 Cb 1.19 2.11 -0.00 0.00 -1.73 0.00 0.00 68.15 69.71 3fjh h THR 59 CO 0.94 0.54 -0.51 -0.08 -0.25 0.00 0.00 175.52 176.17 3fjh h GLU 60 N 0.00 0.82 0.00 4.72 4.57 -1.80 -3.37 114.58 119.52 3fjh h GLU 60 Ca -0.01 -0.50 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3fjh h GLU 60 Cb 1.06 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 3fjh h GLU 60 CO 0.07 1.13 -0.28 0.25 -1.18 0.00 0.00 179.01 179.00 3fjh n THR 61 N -4.01 0.00 -0.98 0.32 -2.24 -1.22 -5.01 114.28 101.14 3fjh n THR 61 Ca -0.04 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3fjh n THR 61 Cb 0.60 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 3fjh n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fjh n GLY 62 N 1.29 0.84 3.77 3.38 0.00 0.53 -5.02 105.19 109.97 3fjh n GLY 62 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3fjh n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fjh s GLN 63 N -0.02 4.48 -0.14 1.61 -0.21 -1.25 -4.74 119.66 119.39 3fjh s GLN 63 Ca 0.00 1.63 -0.09 0.00 0.02 0.00 0.00 55.36 56.92 3fjh s GLN 63 Cb 0.00 -2.93 -0.05 0.00 1.00 0.00 0.00 33.01 31.04 3fjh s GLN 63 CO 0.00 0.11 0.18 0.71 -2.12 0.00 0.00 175.29 174.17 3fjh s TYR 64 N -1.38 3.53 0.30 0.91 1.51 0.98 -0.87 117.35 122.33 3fjh s TYR 64 Ca 0.50 0.52 -0.29 0.00 -1.01 0.00 0.00 57.07 56.78 3fjh s TYR 64 Cb -0.27 -2.09 -0.10 0.00 -0.11 0.00 0.00 41.96 39.39 3fjh s TYR 64 CO 0.34 0.53 1.36 -1.17 -1.11 0.00 0.00 175.55 175.50 3fjh s LEU 65 N -0.42 4.41 0.08 -1.29 2.96 0.42 0.25 118.68 125.10 3fjh s LEU 65 Ca 0.14 2.69 -0.16 0.00 -0.22 0.00 0.00 54.13 56.58 3fjh s LEU 65 Cb -0.12 -3.64 0.03 0.00 0.50 0.00 0.00 46.19 42.96 3fjh s LEU 65 CO 0.03 -0.61 0.38 0.00 -1.32 0.00 0.00 176.35 174.83 3fjh s ALA 66 N -0.74 -0.88 -0.14 5.97 0.00 0.03 -4.41 121.76 121.58 3fjh s ALA 66 Ca 0.53 0.04 0.02 0.00 0.00 0.00 0.00 51.96 52.55 3fjh s ALA 66 Cb -0.41 0.51 0.01 0.00 0.00 0.00 0.00 23.12 23.24 3fjh s ALA 66 CO 0.50 -0.54 -0.22 1.41 0.00 0.00 0.00 175.76 176.91 3fjh s MET 67 N -3.20 2.99 0.97 0.00 1.75 -0.82 0.07 119.30 121.06 3fjh s MET 67 Ca -0.01 -0.84 -0.16 0.00 -1.25 0.00 0.00 55.69 53.43 3fjh s MET 67 Cb 0.01 -2.43 0.20 0.00 2.84 0.00 0.00 34.83 35.45 3fjh s MET 67 CO -0.08 -0.03 1.32 0.16 -0.65 0.00 0.00 175.02 175.75 3fjh s ASP 68 N 0.86 3.04 0.63 1.11 1.47 0.17 -4.81 116.67 119.14 3fjh s ASP 68 Ca -0.06 0.27 0.35 0.00 1.18 0.00 0.00 52.55 54.28 3fjh s ASP 68 Cb -0.15 -0.30 1.94 0.00 -0.34 0.00 0.00 42.92 44.06 3fjh s ASP 68 CO -0.03 -2.78 2.18 0.00 0.68 0.00 0.00 175.17 175.22 3fjh h THR 69 N -1.67 0.23 -0.46 2.11 1.03 -2.01 -0.69 112.91 111.45 3fjh h THR 69 Ca -0.44 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.96 3fjh h THR 69 Cb 1.23 0.88 0.00 0.00 -1.07 0.00 0.00 68.15 69.19 3fjh h THR 69 CO 0.37 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.35 3fjh n ASP 70 N -3.39 4.51 0.00 0.00 8.00 -1.26 -4.96 116.55 119.46 3fjh n ASP 70 Ca -0.01 -2.71 0.00 0.00 0.71 0.00 0.00 54.79 52.77 3fjh n ASP 70 Cb 0.22 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 3fjh n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fjh n GLY 71 N 0.37 0.62 3.77 0.44 0.00 -0.27 -4.65 105.19 105.47 3fjh n GLY 71 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 3fjh n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fjh s LEU 72 N 0.00 4.36 0.33 0.99 1.43 -1.26 -0.17 118.68 124.36 3fjh s LEU 72 Ca 0.00 0.85 -0.27 0.00 -1.03 0.00 0.00 54.13 53.68 3fjh s LEU 72 Cb 0.00 -2.62 -0.09 0.00 0.03 0.00 0.00 46.19 43.51 3fjh s LEU 72 CO 0.00 0.15 1.03 -0.76 0.23 0.00 0.00 176.35 177.00 3fjh s LEU 73 N -0.13 4.36 0.16 1.79 1.43 -1.26 -0.66 118.68 124.37 3fjh s LEU 73 Ca 0.24 2.06 -0.13 0.00 -1.03 0.00 0.00 54.13 55.27 3fjh s LEU 73 Cb -0.16 -3.92 0.01 0.00 0.03 0.00 0.00 46.19 42.16 3fjh s LEU 73 CO 0.11 -0.23 0.38 -0.72 0.23 0.00 0.00 176.35 176.12 3fjh s TYR 74 N -1.45 0.10 -0.22 0.29 1.13 0.11 -4.50 117.35 112.80 3fjh s TYR 74 Ca 0.50 -0.45 -0.15 0.00 -1.41 0.00 0.00 57.07 55.56 3fjh s TYR 74 Cb -0.25 0.15 -0.04 0.00 -1.10 0.00 0.00 41.96 40.72 3fjh s TYR 74 CO 0.31 -0.77 0.36 0.20 -2.51 0.00 0.00 175.55 173.14 3fjh s GLY 75 N -2.90 2.03 -0.05 5.49 0.00 -0.29 -0.79 107.32 110.82 3fjh s GLY 75 Ca 0.11 -0.63 -0.03 0.00 0.00 0.00 0.00 44.72 44.17 3fjh s GLY 75 CO -0.04 0.78 0.11 -0.45 0.00 0.00 0.00 173.10 173.50 3fjh s SER 76 N 1.15 5.95 0.48 1.64 0.15 0.14 -4.72 113.70 118.49 3fjh s SER 76 Ca 0.17 0.28 0.27 0.00 0.70 0.00 0.00 55.95 57.36 3fjh s SER 76 Cb -0.15 -1.80 0.98 0.00 -1.71 0.00 0.00 66.02 63.34 3fjh s SER 76 CO 0.08 0.32 1.84 1.56 1.20 0.00 0.00 173.24 178.24 3fjh h GLN 77 N 4.42 0.00 -4.87 5.44 1.08 -1.90 0.28 115.11 119.56 3fjh h GLN 77 Ca -0.51 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.38 3fjh h GLN 77 Cb 1.20 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.44 3fjh h GLN 77 CO 0.61 0.11 -0.73 0.95 -0.95 0.00 0.00 178.83 178.82 3fjh s THR 78 N -3.56 0.83 -0.64 -0.54 -4.23 -1.26 -4.83 115.64 101.40 3fjh s THR 78 Ca 0.02 -1.49 -0.27 0.00 -1.18 0.00 0.00 61.69 58.77 3fjh s THR 78 Cb 0.09 -1.16 0.02 0.00 1.34 0.00 0.00 72.50 72.78 3fjh s THR 78 CO 0.61 -0.51 1.39 -2.16 -0.54 0.00 0.00 174.62 173.42 3fjh s PRO 79 N -2.46 3.19 0.23 3.99 0.04 -1.26 -4.77 135.00 133.96 3fjh s PRO 79 Ca 0.01 0.17 0.01 0.00 0.04 0.00 0.00 61.00 61.23 3fjh s PRO 79 Cb -0.05 -4.17 0.01 0.00 0.04 0.00 0.00 34.50 30.33 3fjh s PRO 79 CO -0.00 -2.10 0.08 0.27 0.04 0.00 0.00 177.00 175.29 3fjh n ASN 80 N 9.78 2.26 0.26 6.66 0.23 -1.26 -4.99 115.26 128.21 3fjh n ASN 80 Ca 0.09 -1.92 0.14 0.00 -0.53 0.00 0.00 54.58 52.36 3fjh n ASN 80 Cb 0.49 0.08 0.71 0.00 -2.08 0.00 0.00 39.78 38.99 3fjh n ASN 80 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3fjh h GLU 81 N 0.00 0.00 0.00 -3.83 5.08 -1.98 -0.99 114.58 112.86 3fjh h GLU 81 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3fjh h GLU 81 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3fjh h GLU 81 CO 0.28 0.11 0.00 0.39 -1.00 0.00 0.00 179.01 178.79 3fjh n GLU 82 N -3.41 0.08 -0.12 2.33 1.02 -1.26 -3.36 120.64 115.92 3fjh n GLU 82 Ca -0.01 0.01 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 3fjh n GLU 82 Cb 0.28 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.40 3fjh n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fjh n ALA 83 N -1.46 2.44 -2.57 0.62 0.00 -0.38 -1.94 120.51 117.23 3fjh n ALA 83 Ca 0.08 -0.86 -0.38 0.00 0.00 0.00 0.00 53.44 52.28 3fjh n ALA 83 Cb 0.31 -0.88 -0.06 0.00 0.00 0.00 0.00 19.45 18.82 3fjh n ALA 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fjh s LEU 84 N -1.65 4.39 0.07 0.00 1.43 -1.21 -4.46 118.68 117.24 3fjh s LEU 84 Ca 0.35 0.95 0.06 0.00 -1.03 0.00 0.00 54.13 54.46 3fjh s LEU 84 Cb 0.22 -2.71 -0.03 0.00 0.03 0.00 0.00 46.19 43.70 3fjh s LEU 84 CO 0.31 0.15 -0.16 -0.36 0.23 0.00 0.00 176.35 176.52 3fjh s PHE 85 N -0.22 1.42 -0.46 0.29 0.08 -0.51 -1.34 117.98 117.24 3fjh s PHE 85 Ca 0.26 -0.42 -0.20 0.00 0.12 0.00 0.00 56.93 56.69 3fjh s PHE 85 Cb -0.16 -0.80 0.03 0.00 -0.57 0.00 0.00 43.02 41.52 3fjh s PHE 85 CO 0.13 0.09 0.63 -0.51 -0.10 0.00 0.00 175.22 175.46 3fjh s LEU 86 N -1.61 4.65 -0.27 -0.37 1.43 0.14 -0.85 118.68 121.81 3fjh s LEU 86 Ca 0.02 -0.54 -0.22 0.00 -1.03 0.00 0.00 54.13 52.36 3fjh s LEU 86 Cb -0.09 -2.61 -0.01 0.00 0.03 0.00 0.00 46.19 43.50 3fjh s LEU 86 CO 0.03 -0.81 0.71 -0.70 0.23 0.00 0.00 176.35 175.81 3fjh s GLU 87 N 2.74 4.06 0.11 1.70 2.12 -0.09 -1.81 118.70 127.52 3fjh s GLU 87 Ca 0.20 0.61 0.04 0.00 0.36 0.00 0.00 54.97 56.17 3fjh s GLU 87 Cb -0.16 -3.68 -0.04 0.00 0.26 0.00 0.00 34.13 30.52 3fjh s GLU 87 CO 0.16 -0.52 -0.10 1.03 -0.54 0.00 0.00 175.26 175.30 3fjh s ARG 88 N 2.70 0.89 0.45 4.30 1.81 -0.50 -4.69 118.95 123.90 3fjh s ARG 88 Ca 0.29 -1.24 -0.21 0.00 -1.72 0.00 0.00 55.73 52.86 3fjh s ARG 88 Cb -0.15 -0.50 -0.10 0.00 -0.45 0.00 0.00 34.95 33.75 3fjh s ARG 88 CO 0.10 0.07 0.98 -1.17 -0.68 0.00 0.00 175.30 174.59 3fjh s LEU 89 N -2.67 3.91 -0.01 2.53 2.96 -0.05 -0.78 118.68 124.56 3fjh s LEU 89 Ca 0.09 1.77 -0.01 0.00 -0.22 0.00 0.00 54.13 55.75 3fjh s LEU 89 Cb -0.01 -4.54 0.00 0.00 0.50 0.00 0.00 46.19 42.14 3fjh s LEU 89 CO -0.01 -0.50 0.04 -0.70 -1.32 0.00 0.00 176.35 173.86 3fjh s GLU 90 N -3.19 0.06 -1.29 1.98 2.56 0.16 -4.82 118.70 114.17 3fjh s GLU 90 Ca 0.64 0.03 -0.08 0.00 0.00 0.00 0.00 54.97 55.56 3fjh s GLU 90 Cb -0.12 0.03 0.06 0.00 2.00 0.00 0.00 34.13 36.10 3fjh s GLU 90 CO 0.15 -0.01 0.46 0.39 -0.56 0.00 0.00 175.26 175.70 3fjh n GLU 91 N 2.99 -3.49 -1.99 4.30 1.02 -1.26 -1.01 120.64 121.20 3fjh n GLU 91 Ca -0.13 0.53 -0.15 0.00 -0.02 0.00 0.00 57.16 57.40 3fjh n GLU 91 Cb 0.60 -5.25 -0.03 0.00 -0.02 0.00 0.00 31.44 26.73 3fjh n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fjh n ASN 92 N -2.28 -4.28 0.08 1.62 4.13 -1.26 -4.59 115.26 108.69 3fjh n ASN 92 Ca -0.04 0.24 0.00 0.00 1.68 0.00 0.00 54.58 56.46 3fjh n ASN 92 Cb 0.56 -3.74 0.00 0.00 -1.54 0.00 0.00 39.78 35.06 3fjh n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 3fjh n HIS 93 N -2.89 -2.62 -1.93 3.10 -0.00 -0.18 -5.15 115.22 105.55 3fjh n HIS 93 Ca -0.17 0.50 -0.29 0.00 0.46 0.00 0.00 57.72 58.23 3fjh n HIS 93 Cb 0.57 1.48 0.10 0.00 -0.12 0.00 0.00 29.99 32.02 3fjh n HIS 93 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 3fjh s TYR 94 N -2.00 2.79 -0.09 1.57 1.51 -0.26 -4.81 117.35 116.06 3fjh s TYR 94 Ca 0.00 0.67 -0.00 0.00 -1.01 0.00 0.00 57.07 56.73 3fjh s TYR 94 Cb 0.00 -3.54 -0.03 0.00 -0.11 0.00 0.00 41.96 38.28 3fjh s TYR 94 CO 0.00 -1.85 -0.06 -0.80 -1.11 0.00 0.00 175.55 171.73 3fjh s ASN 95 N -4.61 4.65 0.17 2.29 -0.87 0.78 -0.66 114.94 116.68 3fjh s ASN 95 Ca 0.63 -0.06 0.08 0.00 -1.57 0.00 0.00 52.86 51.94 3fjh s ASN 95 Cb -0.10 -1.35 -0.04 0.00 -0.02 0.00 0.00 41.25 39.74 3fjh s ASN 95 CO 0.49 0.31 -0.17 0.42 -2.57 0.00 0.00 177.10 175.58 3fjh s THR 96 N -0.46 1.75 -0.16 1.60 -4.23 0.04 -1.11 115.64 113.06 3fjh s THR 96 Ca 0.07 -1.97 -0.02 0.00 -1.18 0.00 0.00 61.69 58.59 3fjh s THR 96 Cb -0.12 -1.86 0.05 0.00 1.34 0.00 0.00 72.50 71.91 3fjh s THR 96 CO 0.02 -0.40 0.00 -0.31 -0.54 0.00 0.00 174.62 173.40 3fjh s TYR 97 N -2.30 1.17 -0.13 3.99 2.02 -1.26 -1.41 117.35 119.44 3fjh s TYR 97 Ca 0.17 -0.81 -0.06 0.00 -0.37 0.00 0.00 57.07 56.00 3fjh s TYR 97 Cb -0.04 -1.07 -0.04 0.00 -0.40 0.00 0.00 41.96 40.40 3fjh s TYR 97 CO 0.06 -0.56 0.09 0.42 -1.57 0.00 0.00 175.55 173.99 3fjh s ILE 98 N 1.81 5.07 0.06 2.71 1.01 -0.75 -1.04 121.20 130.07 3fjh s ILE 98 Ca 0.00 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.40 3fjh s ILE 98 Cb -0.16 -3.22 -0.09 0.00 0.01 0.00 0.00 42.46 39.00 3fjh s ILE 98 CO -0.07 0.57 1.91 -0.55 0.00 0.00 0.00 174.94 176.80 3fjh s SER 99 N -0.58 6.45 0.11 3.58 0.15 -0.00 0.28 113.70 123.69 3fjh s SER 99 Ca 0.11 2.69 -0.18 0.00 0.70 0.00 0.00 55.95 59.27 3fjh s SER 99 Cb -0.12 -2.54 -0.06 0.00 -1.71 0.00 0.00 66.02 61.59 3fjh s SER 99 CO 0.02 -1.03 1.64 0.50 1.20 0.00 0.00 173.24 175.56 3fjh h LYS 100 N 9.88 0.42 -0.79 5.44 3.64 -1.52 0.14 116.57 133.78 3fjh h LYS 100 Ca -0.48 -0.08 0.09 0.00 -1.27 0.00 0.00 60.65 58.90 3fjh h LYS 100 Cb 1.23 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.93 3fjh h LYS 100 CO 0.94 0.47 0.52 -0.22 -2.27 0.00 0.00 179.45 178.89 3fjh h LYS 101 N 0.29 0.75 -0.36 1.90 3.64 -1.77 -2.24 116.57 118.78 3fjh h LYS 101 Ca 0.09 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 59.23 3fjh h LYS 101 Cb 0.21 -0.17 -0.12 0.00 -0.41 0.00 0.00 32.23 31.74 3fjh h LYS 101 CO -0.01 0.49 -0.10 0.72 -2.27 0.00 0.00 179.45 178.29 3fjh n HIS 102 N -4.50 1.13 0.14 1.91 8.25 -1.05 -4.75 115.22 116.34 3fjh n HIS 102 Ca 0.13 -1.65 0.07 0.00 -0.26 0.00 0.00 57.72 56.01 3fjh n HIS 102 Cb 0.29 -0.50 0.55 0.00 1.12 0.00 0.00 29.99 31.45 3fjh n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fjh h ALA 103 N 1.03 1.89 0.00 -1.41 0.00 -0.08 -1.96 119.26 118.73 3fjh h ALA 103 Ca 0.23 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3fjh h ALA 103 Cb 1.65 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 3fjh h ALA 103 CO 0.41 0.10 -0.08 1.05 0.00 0.00 0.00 179.25 180.73 3fjh h GLU 104 N 0.24 0.00 -0.18 0.00 9.09 -1.85 -1.56 114.58 120.32 3fjh h GLU 104 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.48 3fjh h GLU 104 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3fjh h GLU 104 CO -0.02 0.08 0.00 1.63 0.05 0.00 0.00 179.01 180.75 3fjh n LYS 105 N -3.31 2.24 -3.51 1.06 5.02 -0.75 -4.98 118.16 113.94 3fjh n LYS 105 Ca -0.01 -1.83 -0.19 0.00 -2.02 0.00 0.00 58.31 54.26 3fjh n LYS 105 Cb 0.27 -1.47 0.07 0.00 -0.02 0.00 0.00 35.03 33.87 3fjh n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3fjh n ASN 106 N 1.13 -2.44 -4.60 4.39 4.13 -0.59 -4.95 115.26 112.33 3fjh n ASN 106 Ca 0.17 -0.72 -0.41 0.00 1.68 0.00 0.00 54.58 55.31 3fjh n ASN 106 Cb 0.54 -4.71 -0.07 0.00 -1.54 0.00 0.00 39.78 34.00 3fjh n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3fjh s TRP 107 N -3.47 3.23 0.31 3.10 0.52 -1.23 -4.49 118.94 116.90 3fjh s TRP 107 Ca 0.08 0.55 0.08 0.00 0.02 0.00 0.00 56.10 56.83 3fjh s TRP 107 Cb -0.01 -2.88 -0.03 0.00 -1.15 0.00 0.00 33.47 29.39 3fjh s TRP 107 CO 0.76 -0.41 0.21 -0.06 0.02 0.00 0.00 176.95 177.47 3fjh s PHE 108 N 2.47 2.90 -0.04 -1.98 0.40 -1.26 -0.82 117.98 119.64 3fjh s PHE 108 Ca 0.23 -0.26 -0.27 0.00 -0.60 0.00 0.00 56.93 56.03 3fjh s PHE 108 Cb -0.15 -1.60 -0.03 0.00 0.51 0.00 0.00 43.02 41.75 3fjh s PHE 108 CO 0.11 0.35 0.86 0.08 0.70 0.00 0.00 175.22 177.32 3fjh s VAL 109 N -2.28 4.94 -0.16 -0.44 1.01 -0.21 -4.65 120.40 118.61 3fjh s VAL 109 Ca 0.37 1.78 -0.21 0.00 0.00 0.00 0.00 61.98 63.92 3fjh s VAL 109 Cb -0.06 -4.19 0.05 0.00 0.00 0.00 0.00 36.38 32.18 3fjh s VAL 109 CO 0.25 0.18 0.55 -0.83 0.00 0.00 0.00 175.10 175.25 3fjh s GLY 110 N 0.94 -0.42 -0.10 4.51 0.00 -1.26 -4.44 107.32 106.55 3fjh s GLY 110 Ca 0.45 1.38 0.01 0.00 0.00 0.00 0.00 44.72 46.56 3fjh s GLY 110 CO 0.22 1.14 -0.12 1.08 0.00 0.00 0.00 173.10 175.42 3fjh s LEU 111 N -0.18 2.78 0.75 0.66 1.43 -0.36 -0.30 118.68 123.47 3fjh s LEU 111 Ca -0.04 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 3fjh s LEU 111 Cb -0.03 -1.61 0.04 0.00 0.03 0.00 0.00 46.19 44.62 3fjh s LEU 111 CO 0.03 0.23 1.11 -0.54 0.23 0.00 0.00 176.35 177.41 3fjh s LYS 112 N -0.05 2.44 0.52 1.70 1.02 0.07 -4.42 119.74 121.03 3fjh s LYS 112 Ca -0.02 0.43 0.18 0.00 0.02 0.00 0.00 55.97 56.57 3fjh s LYS 112 Cb -0.14 -1.98 1.29 0.00 -0.52 0.00 0.00 37.83 36.48 3fjh s LYS 112 CO 0.04 -1.32 2.11 0.87 -0.92 0.00 0.00 175.35 176.13 3fjh h LYS 113 N -0.86 0.02 -0.07 1.68 1.57 -1.88 -0.37 116.57 116.66 3fjh h LYS 113 Ca -0.46 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3fjh h LYS 113 Cb 1.27 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 3fjh h LYS 113 CO 0.63 0.01 0.00 0.27 -0.57 0.00 0.00 179.45 179.79 3fjh n ASN 114 N -4.50 0.53 0.00 0.86 0.23 -1.26 -4.65 115.26 106.47 3fjh n ASN 114 Ca 0.00 -1.67 0.00 0.00 -0.53 0.00 0.00 54.58 52.38 3fjh n ASN 114 Cb 0.21 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 3fjh n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3fjh n GLY 115 N 0.82 0.82 3.87 4.83 0.00 -0.15 -5.00 105.19 110.38 3fjh n GLY 115 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 3fjh n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fjh s SER 116 N -2.91 6.65 0.58 1.61 1.04 -1.26 -0.57 113.70 118.84 3fjh s SER 116 Ca 0.00 0.89 -0.17 0.00 0.48 0.00 0.00 55.95 57.16 3fjh s SER 116 Cb 0.00 -2.21 -0.04 0.00 0.10 0.00 0.00 66.02 63.86 3fjh s SER 116 CO 0.00 0.02 1.07 0.00 0.98 0.00 0.00 173.24 175.30 3fjh s LYS 118 N -3.88 3.90 0.30 0.00 1.02 0.59 -4.80 119.74 116.86 3fjh s LYS 118 Ca 0.65 0.39 -0.25 0.00 0.02 0.00 0.00 55.97 56.78 3fjh s LYS 118 Cb -0.17 -2.83 -0.09 0.00 -0.52 0.00 0.00 37.83 34.21 3fjh s LYS 118 CO 0.34 0.43 0.90 0.50 -0.92 0.00 0.00 175.35 176.60 3fjh s ARG 119 N -2.26 4.54 0.13 1.68 3.52 -1.26 -4.64 118.95 120.66 3fjh s ARG 119 Ca 0.41 1.25 -0.26 0.00 -0.13 0.00 0.00 55.73 56.99 3fjh s ARG 119 Cb -0.14 -2.85 -0.06 0.00 -1.56 0.00 0.00 34.95 30.35 3fjh s ARG 119 CO 0.20 0.32 1.36 0.41 -0.81 0.00 0.00 175.30 176.78 3fjh n GLY 120 N 0.65 -2.40 0.35 8.12 0.00 0.76 -0.70 105.19 111.96 3fjh n GLY 120 Ca 0.01 1.04 0.18 0.00 0.00 0.00 0.00 46.02 47.25 3fjh n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fjh h PRO 121 N 0.00 0.00 -0.01 1.61 0.11 -1.88 -0.39 132.00 131.44 3fjh h PRO 121 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3fjh h PRO 121 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.45 3fjh h PRO 121 CO -0.79 0.00 -0.17 0.54 -0.21 0.00 0.00 178.00 177.37 3fjh n ARG 122 N -3.28 0.90 -3.53 1.05 5.12 0.12 -4.87 116.66 112.16 3fjh n ARG 122 Ca 0.01 -0.46 -0.21 0.00 -1.93 0.00 0.00 57.85 55.26 3fjh n ARG 122 Cb 0.38 -1.49 -0.01 0.00 -1.16 0.00 0.00 32.46 30.18 3fjh n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3fjh s THR 123 N -2.42 4.51 -0.22 0.55 -4.23 -0.15 -4.95 115.64 108.72 3fjh s THR 123 Ca 0.28 -0.86 -0.35 0.00 -1.18 0.00 0.00 61.69 59.57 3fjh s THR 123 Cb 0.20 -3.60 0.15 0.00 1.34 0.00 0.00 72.50 70.59 3fjh s THR 123 CO 0.48 -0.27 1.26 -1.38 -0.54 0.00 0.00 174.62 174.16 3fjh s HIS 124 N -2.19 -0.10 0.33 3.99 -3.43 -1.26 -4.82 115.29 107.81 3fjh s HIS 124 Ca 0.42 0.07 -0.28 0.00 -0.80 0.00 0.00 55.06 54.47 3fjh s HIS 124 Cb -0.09 0.51 -0.13 0.00 -1.43 0.00 0.00 32.58 31.44 3fjh s HIS 124 CO 0.32 -0.15 1.20 0.66 -2.00 0.00 0.00 174.74 174.77 3fjh n TYR 125 N -0.01 1.96 0.00 0.38 4.01 -1.26 -2.57 117.16 119.67 3fjh n TYR 125 Ca 0.01 0.59 0.00 0.00 -0.16 0.00 0.00 57.90 58.35 3fjh n TYR 125 Cb 0.58 -2.36 0.00 0.00 -0.31 0.00 0.00 39.34 37.25 3fjh n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fjh n GLY 126 N 0.91 0.89 3.87 2.72 0.00 -1.26 -5.08 105.19 107.24 3fjh n GLY 126 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3fjh n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fjh s GLN 127 N -0.93 3.84 0.27 1.61 -0.21 -1.06 -4.97 119.66 118.21 3fjh s GLN 127 Ca 0.00 0.49 0.15 0.00 0.02 0.00 0.00 55.36 56.02 3fjh s GLN 127 Cb 0.00 -2.43 0.05 0.00 1.00 0.00 0.00 33.01 31.63 3fjh s GLN 127 CO 0.00 0.06 1.42 0.87 -2.12 0.00 0.00 175.29 175.52 3fjh h LYS 128 N 1.66 0.00 -0.06 2.91 1.79 -1.97 -3.30 116.57 117.61 3fjh h LYS 128 Ca -0.47 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.01 3fjh h LYS 128 Cb 1.18 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 3fjh h LYS 128 CO 0.65 0.50 0.06 0.00 -1.08 0.00 0.00 179.45 179.57 3fjh h ALA 129 N 1.49 1.69 -0.01 3.86 0.00 -1.94 -2.34 119.26 122.01 3fjh h ALA 129 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fjh h ALA 129 Cb 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3fjh h ALA 129 CO 0.07 -0.09 -0.20 0.44 0.00 0.00 0.00 179.25 179.47 3fjh n ILE 130 N -3.96 0.00 -3.08 0.00 -5.35 -1.24 -1.22 119.36 104.51 3fjh n ILE 130 Ca -0.02 -0.22 -0.41 0.00 -0.27 0.00 0.00 62.75 61.84 3fjh n ILE 130 Cb 0.15 0.67 -0.06 0.00 -1.74 0.00 0.00 39.64 38.66 3fjh n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3fjh s LEU 131 N -2.31 4.08 0.18 7.28 1.43 -0.88 -4.45 118.68 124.01 3fjh s LEU 131 Ca 0.27 0.68 0.11 0.00 -1.03 0.00 0.00 54.13 54.17 3fjh s LEU 131 Cb 0.20 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 3fjh s LEU 131 CO 0.46 -0.41 -0.24 -0.36 0.23 0.00 0.00 176.35 176.03 3fjh s PHE 132 N 2.57 2.32 -0.16 0.29 0.40 -0.26 -3.15 117.98 120.00 3fjh s PHE 132 Ca 0.27 -0.35 -0.00 0.00 -0.60 0.00 0.00 56.93 56.24 3fjh s PHE 132 Cb -0.15 -1.17 0.04 0.00 0.51 0.00 0.00 43.02 42.25 3fjh s PHE 132 CO 0.09 0.48 -0.07 -1.17 0.70 0.00 0.00 175.22 175.25 3fjh s LEU 133 N -2.59 1.64 -0.05 -0.37 2.96 0.56 -0.16 118.68 120.67 3fjh s LEU 133 Ca 0.20 -0.62 -0.30 0.00 -0.22 0.00 0.00 54.13 53.20 3fjh s LEU 133 Cb -0.08 -0.97 -0.03 0.00 0.50 0.00 0.00 46.19 45.61 3fjh s LEU 133 CO 0.10 -0.16 1.11 -2.16 -1.32 0.00 0.00 176.35 173.92 3fjh s PRO 134 N 1.60 4.41 0.14 0.98 0.04 -1.26 -0.89 135.00 140.02 3fjh s PRO 134 Ca 0.02 1.56 0.11 0.00 0.04 0.00 0.00 61.00 62.73 3fjh s PRO 134 Cb -0.15 -3.52 -0.04 0.00 0.04 0.00 0.00 34.50 30.84 3fjh s PRO 134 CO -0.08 -0.33 -0.26 -0.51 0.04 0.00 0.00 177.00 175.85 3fjh s LEU 135 N 1.86 2.33 0.66 -3.56 1.43 0.12 -4.90 118.68 116.62 3fjh s LEU 135 Ca 0.53 -0.76 -0.16 0.00 -1.03 0.00 0.00 54.13 52.70 3fjh s LEU 135 Cb -0.23 -1.20 0.00 0.00 0.03 0.00 0.00 46.19 44.79 3fjh s LEU 135 CO 0.22 0.17 1.18 -2.84 0.23 0.00 0.00 176.35 175.31 3fjh s PRO 136 N -2.14 2.62 0.00 1.29 0.02 -1.26 0.19 135.00 135.72 3fjh s PRO 136 Ca 0.15 1.69 0.29 0.00 0.02 0.00 0.00 61.00 63.15 3fjh s PRO 136 Cb -0.10 -1.90 1.35 0.00 0.02 0.00 0.00 34.50 33.87 3fjh s PRO 136 CO 0.06 -1.45 1.91 1.33 -0.33 0.00 0.00 177.00 178.53