#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 1.30 -2.80 -1.40 7.35 -1.26 -5.01 117.46 115.64 3fjh n PHE 1 Ca 0.00 -1.76 -0.42 0.00 -0.76 0.00 0.00 57.45 54.51 3fjh n PHE 1 Cb 0.00 -0.26 -0.03 0.00 0.35 0.00 0.00 39.48 39.54 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 -3.31 6.98 0.03 -2.13 0.01 -1.26 -5.02 114.94 110.22 3fjh s ASN 2 Ca 0.39 1.21 0.02 0.00 -0.71 0.00 0.00 52.86 53.77 3fjh s ASN 2 Cb 0.37 -2.48 -0.04 0.00 0.41 0.00 0.00 41.25 39.51 3fjh s ASN 2 CO -0.04 -0.54 0.02 -0.76 -1.51 0.00 0.00 177.10 174.27 3fjh s LEU 3 N 2.76 3.57 0.61 0.60 1.43 -1.26 -0.68 118.68 125.70 3fjh s LEU 3 Ca 0.40 -0.03 -0.14 0.00 -1.03 0.00 0.00 54.13 53.33 3fjh s LEU 3 Cb -0.16 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 3fjh s LEU 3 CO 0.09 0.24 1.03 -2.16 0.23 0.00 0.00 176.35 175.78 3fjh s PRO 4 N -1.83 3.44 0.94 1.29 0.04 -1.26 -4.62 135.00 133.00 3fjh s PRO 4 Ca 0.22 0.97 -0.15 0.00 0.04 0.00 0.00 61.00 62.09 3fjh s PRO 4 Cb -0.12 -2.06 0.17 0.00 0.04 0.00 0.00 34.50 32.53 3fjh s PRO 4 CO 0.14 -0.69 1.23 -1.25 0.04 0.00 0.00 177.00 176.46 3fjh s PRO 5 N -4.58 0.87 0.00 0.56 0.04 -1.26 -4.95 135.00 125.68 3fjh s PRO 5 Ca 0.59 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.52 3fjh s PRO 5 Cb -0.13 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.57 3fjh s PRO 5 CO 0.44 -2.31 0.00 0.41 0.04 0.00 0.00 177.00 175.59 3fjh n GLY 6 N -3.05 1.01 0.16 0.56 0.00 -1.26 -5.09 105.19 97.52 3fjh n GLY 6 Ca 0.11 -1.90 -0.01 0.00 0.00 0.00 0.00 46.02 44.22 3fjh n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fjh n ASN 7 N -0.35 0.62 -0.46 1.61 0.23 -1.26 -5.06 115.26 110.58 3fjh n ASN 7 Ca 0.00 -1.11 0.08 0.00 -0.53 0.00 0.00 54.58 53.02 3fjh n ASN 7 Cb 0.00 0.06 0.18 0.00 -2.08 0.00 0.00 39.78 37.94 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 -0.04 0.44 -0.35 -2.53 4.01 -1.26 -4.71 117.16 112.73 3fjh n TYR 8 Ca -0.00 -0.87 0.02 0.00 -0.16 0.00 0.00 57.90 56.89 3fjh n TYR 8 Cb 0.03 -0.20 0.16 0.00 -0.31 0.00 0.00 39.34 39.01 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 0.94 1.07 -6.06 -0.72 1.57 -1.97 -3.44 116.57 107.95 3fjh h LYS 9 Ca 0.00 -0.06 -0.61 0.00 -1.87 0.00 0.00 60.65 58.11 3fjh h LYS 9 Cb 1.13 -0.24 -0.14 0.00 0.08 0.00 0.00 32.23 33.06 3fjh h LYS 9 CO 0.10 0.71 -0.73 0.15 -0.57 0.00 0.00 179.45 179.11 3fjh s LYS 10 N -6.05 1.72 0.92 3.15 1.02 -1.26 -5.11 119.74 114.12 3fjh s LYS 10 Ca -0.13 -1.83 -0.12 0.00 0.02 0.00 0.00 55.97 53.91 3fjh s LYS 10 Cb 0.19 -1.71 0.14 0.00 -0.52 0.00 0.00 37.83 35.94 3fjh s LYS 10 CO 0.80 0.24 1.10 -1.25 -0.92 0.00 0.00 175.35 175.33 3fjh s PRO 11 N -3.56 1.07 0.33 -1.68 0.04 -1.26 -4.73 135.00 125.21 3fjh s PRO 11 Ca 0.31 0.55 -0.18 0.00 0.04 0.00 0.00 61.00 61.71 3fjh s PRO 11 Cb -0.02 -1.81 0.04 0.00 0.04 0.00 0.00 34.50 32.76 3fjh s PRO 11 CO 0.15 -2.30 0.78 -1.59 0.04 0.00 0.00 177.00 174.08 3fjh s LYS 12 N -5.07 1.99 -0.05 4.56 -2.85 0.17 -4.30 119.74 114.19 3fjh s LYS 12 Ca 0.64 -1.22 0.00 0.00 -1.00 0.00 0.00 55.97 54.39 3fjh s LYS 12 Cb -0.17 0.60 -0.03 0.00 -2.06 0.00 0.00 37.83 36.17 3fjh s LYS 12 CO 0.56 -0.93 -0.03 -0.51 0.10 0.00 0.00 175.35 174.54 3fjh s LEU 13 N -3.02 3.38 -0.43 2.77 1.43 0.12 -0.68 118.68 122.25 3fjh s LEU 13 Ca 0.14 0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 53.15 3fjh s LEU 13 Cb -0.05 -1.81 0.07 0.00 0.03 0.00 0.00 46.19 44.43 3fjh s LEU 13 CO 0.09 0.34 0.30 -0.76 0.23 0.00 0.00 176.35 176.56 3fjh s LEU 14 N -1.05 5.27 -0.21 1.79 1.43 -1.26 -0.05 118.68 124.60 3fjh s LEU 14 Ca 0.15 -1.39 -0.20 0.00 -1.03 0.00 0.00 54.13 51.66 3fjh s LEU 14 Cb -0.11 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 3fjh s LEU 14 CO 0.04 -0.56 0.58 -0.47 0.23 0.00 0.00 176.35 176.18 3fjh s TYR 15 N 1.51 3.36 -0.37 0.29 5.04 -0.21 -1.17 117.35 125.80 3fjh s TYR 15 Ca 0.03 0.84 -0.18 0.00 -2.44 0.00 0.00 57.07 55.33 3fjh s TYR 15 Cb -0.23 -2.75 0.00 0.00 0.35 0.00 0.00 41.96 39.33 3fjh s TYR 15 CO 0.04 -0.17 0.51 0.00 -1.34 0.00 0.00 175.55 174.59 3fjh h SER 17 N 8.56 0.00 0.08 0.00 4.64 -1.70 0.30 113.55 125.43 3fjh h SER 17 Ca -0.27 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3fjh h SER 17 Cb 1.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3fjh h SER 17 CO 0.79 0.00 -0.06 -1.13 -0.87 0.00 0.00 176.83 175.56 3fjh h ASN 18 N 0.00 -0.16 -0.02 4.97 -1.24 -1.78 -3.33 115.58 114.01 3fjh h ASN 18 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 3fjh h ASN 18 Cb 0.04 0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.14 3fjh h ASN 18 CO -0.00 -0.09 -0.05 0.61 -1.29 0.00 0.00 177.43 176.62 3fjh n GLY 19 N -1.07 0.16 1.96 1.57 0.00 -1.23 -4.87 105.19 101.70 3fjh n GLY 19 Ca -0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 46.02 45.51 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 0.95 0.44 3.80 -0.02 0.00 0.08 -5.00 105.19 105.43 3fjh n GLY 20 Ca 0.09 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.49 3.29 -0.03 1.61 3.76 -1.13 -4.61 115.29 115.69 3fjh s HIS 21 Ca 0.03 0.17 -0.20 0.00 -0.15 0.00 0.00 55.06 54.91 3fjh s HIS 21 Cb -0.01 -1.70 -0.05 0.00 1.11 0.00 0.00 32.58 31.93 3fjh s HIS 21 CO 0.04 0.55 0.56 -0.06 -0.85 0.00 0.00 174.74 174.98 3fjh s PHE 22 N -1.32 3.65 0.21 1.40 0.08 0.18 -0.19 117.98 122.00 3fjh s PHE 22 Ca 0.27 1.13 -0.31 0.00 0.12 0.00 0.00 56.93 58.14 3fjh s PHE 22 Cb -0.12 -2.58 -0.11 0.00 -0.57 0.00 0.00 43.02 39.64 3fjh s PHE 22 CO 0.19 0.33 1.61 -1.17 -0.10 0.00 0.00 175.22 176.08 3fjh s LEU 23 N -0.06 4.37 0.00 -0.37 2.96 -0.32 -1.83 118.68 123.44 3fjh s LEU 23 Ca 0.30 2.77 0.05 0.00 -0.22 0.00 0.00 54.13 57.03 3fjh s LEU 23 Cb -0.17 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.89 3fjh s LEU 23 CO 0.16 -0.88 -0.17 -0.60 -1.32 0.00 0.00 176.35 173.54 3fjh s ARG 24 N 0.70 1.27 -0.31 1.98 3.52 0.95 -4.48 118.95 122.59 3fjh s ARG 24 Ca 0.69 -0.65 0.03 0.00 -0.13 0.00 0.00 55.73 55.67 3fjh s ARG 24 Cb -0.46 -1.26 0.09 0.00 -1.56 0.00 0.00 34.95 31.76 3fjh s ARG 24 CO 0.36 0.34 0.01 0.42 -0.81 0.00 0.00 175.30 175.61 3fjh s ILE 25 N -0.51 1.98 0.68 4.11 1.01 -0.84 -1.56 121.20 126.07 3fjh s ILE 25 Ca 0.06 -1.93 -0.12 0.00 0.00 0.00 0.00 60.65 58.66 3fjh s ILE 25 Cb -0.07 -2.35 0.00 0.00 0.01 0.00 0.00 42.46 40.05 3fjh s ILE 25 CO -0.00 -0.42 1.06 -0.76 0.00 0.00 0.00 174.94 174.82 3fjh s LEU 26 N 1.10 3.20 0.40 2.97 1.43 0.17 -4.83 118.68 123.12 3fjh s LEU 26 Ca 0.04 1.68 0.14 0.00 -1.03 0.00 0.00 54.13 54.96 3fjh s LEU 26 Cb -0.19 -4.51 0.99 0.00 0.03 0.00 0.00 46.19 42.51 3fjh s LEU 26 CO -0.09 -1.45 1.89 -0.65 0.23 0.00 0.00 176.35 176.27 3fjh h PRO 27 N -0.53 0.48 0.00 1.29 0.11 -1.99 0.11 132.00 131.47 3fjh h PRO 27 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3fjh h PRO 27 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3fjh h PRO 27 CO 0.56 0.32 0.00 -0.40 -0.21 0.00 0.00 178.00 178.27 3fjh n ASP 28 N -4.51 0.00 0.00 -2.05 5.68 -1.26 -4.85 116.55 109.56 3fjh n ASP 28 Ca 0.17 -1.31 0.00 0.00 -0.50 0.00 0.00 54.79 53.15 3fjh n ASP 28 Cb 0.56 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 3fjh n ASP 28 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fjh n GLY 29 N 0.76 0.81 3.77 6.12 0.00 0.37 -4.96 105.19 112.05 3fjh n GLY 29 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.78 3.03 -0.07 2.61 2.01 -1.25 -0.34 115.64 118.85 3fjh s THR 30 Ca 0.00 0.86 0.05 0.00 0.31 0.00 0.00 61.69 62.91 3fjh s THR 30 Cb 0.00 -3.48 -0.00 0.00 0.01 0.00 0.00 72.50 69.02 3fjh s THR 30 CO 0.00 0.08 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.10 3fjh s VAL 31 N -1.40 1.86 0.00 3.82 1.01 -1.26 -0.65 120.40 123.78 3fjh s VAL 31 Ca 0.58 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3fjh s VAL 31 Cb -0.32 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.46 3fjh s VAL 31 CO 0.40 0.52 0.00 -0.90 0.00 0.00 0.00 175.10 175.12 3fjh n ASP 32 N 3.30 0.00 -4.12 3.32 5.75 -0.60 -4.39 116.55 119.81 3fjh n ASP 32 Ca -0.19 -0.12 -0.17 0.00 -0.01 0.00 0.00 54.79 54.31 3fjh n ASP 32 Cb 0.52 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.49 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 -0.12 0.70 0.02 6.12 0.00 0.15 -0.03 107.32 114.15 3fjh s GLY 33 Ca 0.00 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.89 3fjh s GLY 33 CO 0.00 -0.86 -0.04 -1.08 0.00 0.00 0.00 173.10 171.12 3fjh s THR 34 N -1.15 0.22 -1.36 0.90 -1.32 -0.76 -4.75 115.64 107.43 3fjh s THR 34 Ca -0.04 -0.84 0.26 0.00 -1.21 0.00 0.00 61.69 59.86 3fjh s THR 34 Cb -0.09 -0.33 0.14 0.00 -1.51 0.00 0.00 72.50 70.71 3fjh s THR 34 CO 0.01 -0.40 1.51 0.54 -2.21 0.00 0.00 174.62 174.07 3fjh n ARG 35 N 1.76 0.40 -2.40 7.08 1.74 -1.26 -0.64 116.66 123.33 3fjh n ARG 35 Ca -0.22 -0.23 -0.41 0.00 -0.77 0.00 0.00 57.85 56.22 3fjh n ARG 35 Cb 0.55 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 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 -2.76 5.95 0.01 0.55 2.15 -1.26 -4.86 116.67 116.46 3fjh s ASP 36 Ca 0.18 -0.13 0.09 0.00 0.43 0.00 0.00 52.55 53.11 3fjh s ASP 36 Cb 0.18 -2.55 0.37 0.00 -0.30 0.00 0.00 42.92 40.62 3fjh s ASP 36 CO 0.61 -1.94 1.27 -1.14 -0.17 0.00 0.00 175.17 173.80 3fjh n ARG 37 N 9.19 0.00 0.00 4.34 0.63 -1.26 -1.69 116.66 127.87 3fjh n ARG 37 Ca 0.09 0.36 0.12 0.00 -0.92 0.00 0.00 57.85 57.50 3fjh n ARG 37 Cb 0.50 -1.51 0.18 0.00 0.45 0.00 0.00 32.46 32.08 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 -1.52 0.92 -4.64 6.15 3.41 -1.26 -4.95 113.62 111.72 3fjh n SER 38 Ca 0.02 -0.72 -0.45 0.00 -0.26 0.00 0.00 58.87 57.46 3fjh n SER 38 Cb 0.10 0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 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 -1.10 2.19 -0.21 4.04 -0.08 -0.68 -4.88 116.55 115.83 3fjh n ASP 39 Ca 0.07 1.16 0.15 0.00 -1.51 0.00 0.00 54.79 54.66 3fjh n ASP 39 Cb 0.35 -1.37 0.71 0.00 2.34 0.00 0.00 41.12 43.15 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 1.48 1.19 -0.57 -0.67 1.13 -1.26 -3.81 117.38 114.87 3fjh n GLN 40 Ca 0.11 -0.43 0.07 0.00 -1.94 0.00 0.00 57.00 54.80 3fjh n GLN 40 Cb 0.31 -1.49 0.28 0.00 0.11 0.00 0.00 30.24 29.45 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 -0.53 1.20 0.42 1.08 8.25 -1.26 -4.43 115.22 119.95 3fjh n HIS 41 Ca 0.20 -0.93 0.04 0.00 -0.26 0.00 0.00 57.72 56.77 3fjh n HIS 41 Cb 0.24 -0.38 -0.02 0.00 1.12 0.00 0.00 29.99 30.95 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 -0.39 0.00 -2.52 1.59 -5.35 -1.25 -1.98 119.36 109.46 3fjh n ILE 42 Ca 0.24 -0.36 -0.43 0.00 -0.27 0.00 0.00 62.75 61.93 3fjh n ILE 42 Cb 0.98 1.07 -0.02 0.00 -1.74 0.00 0.00 39.64 39.92 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 -1.51 4.21 -0.04 6.28 1.11 -1.26 -4.50 119.66 123.95 3fjh s GLN 43 Ca 0.06 1.49 0.07 0.00 0.01 0.00 0.00 55.36 56.99 3fjh s GLN 43 Cb 0.07 -3.72 -0.01 0.00 -1.01 0.00 0.00 33.01 28.34 3fjh s GLN 43 CO 0.29 -0.71 -0.25 -0.51 0.01 0.00 0.00 175.29 174.11 3fjh s LEU 44 N 3.45 2.05 -0.27 2.90 1.43 0.14 -2.30 118.68 126.08 3fjh s LEU 44 Ca 0.50 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 53.05 3fjh s LEU 44 Cb -0.18 -1.33 -0.00 0.00 0.03 0.00 0.00 46.19 44.70 3fjh s LEU 44 CO 0.12 0.26 0.06 -1.58 0.23 0.00 0.00 176.35 175.44 3fjh s GLN 45 N -0.31 3.30 0.14 1.70 2.00 0.79 -0.65 119.66 126.63 3fjh s GLN 45 Ca 0.01 -0.71 -0.06 0.00 -2.00 0.00 0.00 55.36 52.60 3fjh s GLN 45 Cb -0.12 -3.31 -0.06 0.00 0.80 0.00 0.00 33.01 30.32 3fjh s GLN 45 CO 0.02 -0.33 0.40 -0.51 -0.50 0.00 0.00 175.29 174.36 3fjh s LEU 46 N 1.53 4.27 0.03 3.68 1.02 -1.26 -1.27 118.68 126.67 3fjh s LEU 46 Ca 0.04 0.65 -0.06 0.00 0.02 0.00 0.00 54.13 54.78 3fjh s LEU 46 Cb -0.16 -3.29 -0.01 0.00 0.02 0.00 0.00 46.19 42.75 3fjh s LEU 46 CO 0.02 0.06 0.11 -0.94 0.02 0.00 0.00 176.35 175.62 3fjh s SER 47 N -2.32 0.12 0.07 2.29 1.04 -0.89 -4.77 113.70 109.24 3fjh s SER 47 Ca 0.40 -0.42 0.01 0.00 0.48 0.00 0.00 55.95 56.42 3fjh s SER 47 Cb -0.12 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.17 3fjh s SER 47 CO 0.23 -0.46 0.20 0.00 0.98 0.00 0.00 173.24 174.20 3fjh s ALA 48 N -2.15 3.96 0.00 5.32 0.00 -1.26 -0.51 121.76 127.12 3fjh s ALA 48 Ca -0.09 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.00 3fjh s ALA 48 Cb -0.04 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.30 3fjh s ALA 48 CO -0.02 0.80 0.00 -1.91 0.00 0.00 0.00 175.76 174.62 3fjh n GLU 49 N 0.24 0.00 -2.52 0.00 4.07 -0.81 -4.92 120.64 116.69 3fjh n GLU 49 Ca -0.06 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 56.82 3fjh n GLU 49 Cb 0.51 0.00 0.07 0.00 -0.06 0.00 0.00 31.44 31.96 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 -0.59 4.86 0.18 4.31 0.01 -1.26 -4.93 113.70 116.28 3fjh s SER 50 Ca 0.00 -0.03 -0.33 0.00 1.31 0.00 0.00 55.95 56.90 3fjh s SER 50 Cb 0.00 -0.64 -0.14 0.00 0.21 0.00 0.00 66.02 65.45 3fjh s SER 50 CO 0.00 -1.48 1.52 0.52 0.41 0.00 0.00 173.24 174.21 3fjh n VAL 51 N -2.63 0.28 -0.61 3.43 0.31 -1.26 -1.12 118.33 116.74 3fjh n VAL 51 Ca 0.10 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3fjh n VAL 51 Cb 0.60 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 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 3.00 1.58 3.69 2.92 0.00 -1.26 -5.02 105.19 110.11 3fjh n GLY 52 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.08 2.99 0.05 1.61 2.02 -0.27 -0.92 118.70 124.10 3fjh s GLU 53 Ca 0.00 -0.40 -0.03 0.00 0.02 0.00 0.00 54.97 54.56 3fjh s GLU 53 Cb 0.00 -2.80 -0.03 0.00 0.10 0.00 0.00 34.13 31.40 3fjh s GLU 53 CO 0.00 0.70 0.02 0.14 0.02 0.00 0.00 175.26 176.14 3fjh s VAL 54 N -0.90 0.18 0.05 2.63 -7.23 0.41 -1.93 120.40 113.61 3fjh s VAL 54 Ca 0.14 -1.47 0.05 0.00 -1.81 0.00 0.00 61.98 58.89 3fjh s VAL 54 Cb -0.11 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 3fjh s VAL 54 CO 0.03 -0.81 -0.08 -0.31 -0.31 0.00 0.00 175.10 173.62 3fjh s TYR 55 N -3.30 2.83 -0.26 2.82 2.02 0.33 -1.16 117.35 120.63 3fjh s TYR 55 Ca 0.01 -0.09 0.02 0.00 -0.37 0.00 0.00 57.07 56.64 3fjh s TYR 55 Cb 0.03 -1.53 0.07 0.00 -0.40 0.00 0.00 41.96 40.13 3fjh s TYR 55 CO -0.08 0.39 -0.04 0.42 -1.57 0.00 0.00 175.55 174.67 3fjh s ILE 56 N -1.10 1.78 -0.09 2.71 1.01 -1.26 -2.10 121.20 122.15 3fjh s ILE 56 Ca 0.19 -1.53 0.00 0.00 0.00 0.00 0.00 60.65 59.32 3fjh s ILE 56 Cb -0.11 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 3fjh s ILE 56 CO 0.11 -0.20 -0.08 -0.75 0.00 0.00 0.00 174.94 174.01 3fjh s LYS 57 N 1.25 2.92 -0.16 2.79 2.20 -0.40 -0.46 119.74 127.88 3fjh s LYS 57 Ca -0.03 -0.58 -0.29 0.00 -0.36 0.00 0.00 55.97 54.71 3fjh s LYS 57 Cb -0.19 -2.61 -0.02 0.00 -1.51 0.00 0.00 37.83 33.50 3fjh s LYS 57 CO -0.08 0.54 1.37 0.45 -0.36 0.00 0.00 175.35 177.28 3fjh s SER 58 N -0.49 6.83 0.35 1.43 0.15 0.34 -0.14 113.70 122.17 3fjh s SER 58 Ca 0.07 1.75 0.15 0.00 0.70 0.00 0.00 55.95 58.62 3fjh s SER 58 Cb -0.12 -2.54 0.66 0.00 -1.71 0.00 0.00 66.02 62.31 3fjh s SER 58 CO 0.02 -0.86 1.75 0.71 1.20 0.00 0.00 173.24 176.07 3fjh h THR 59 N 5.60 1.15 0.11 6.45 1.35 -1.79 0.26 112.91 126.03 3fjh h THR 59 Ca -0.29 -1.54 -0.29 0.00 -0.55 0.00 0.00 66.41 63.73 3fjh h THR 59 Cb 1.12 1.87 0.02 0.00 -1.73 0.00 0.00 68.15 69.43 3fjh h THR 59 CO 0.98 0.42 -1.22 -0.08 -0.25 0.00 0.00 175.52 175.37 3fjh h GLU 60 N 0.00 0.57 0.00 4.72 4.57 -1.80 -3.38 114.58 119.26 3fjh h GLU 60 Ca -0.00 -0.76 0.00 0.00 -1.18 0.00 0.00 59.36 57.41 3fjh h GLU 60 Cb 0.84 0.25 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 3fjh h GLU 60 CO 0.06 1.34 -0.76 0.25 -1.18 0.00 0.00 179.01 178.72 3fjh n THR 61 N -3.76 0.00 -0.67 0.32 -2.24 -1.23 -5.01 114.28 101.68 3fjh n THR 61 Ca -0.12 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3fjh n THR 61 Cb 0.98 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 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 1.51 1.58 3.80 3.38 0.00 0.91 -5.01 105.19 111.36 3fjh n GLY 62 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.03 3.51 -0.07 1.61 -0.21 -1.26 -4.69 119.66 118.53 3fjh s GLN 63 Ca 0.00 1.25 -0.01 0.00 0.02 0.00 0.00 55.36 56.62 3fjh s GLN 63 Cb 0.00 -2.06 -0.03 0.00 1.00 0.00 0.00 33.01 31.92 3fjh s GLN 63 CO 0.00 -0.66 0.01 0.71 -2.12 0.00 0.00 175.29 173.24 3fjh s TYR 64 N -2.29 3.18 0.35 0.91 1.51 0.55 -0.50 117.35 121.05 3fjh s TYR 64 Ca 0.65 0.19 -0.28 0.00 -1.01 0.00 0.00 57.07 56.62 3fjh s TYR 64 Cb -0.16 -1.77 -0.10 0.00 -0.11 0.00 0.00 41.96 39.82 3fjh s TYR 64 CO 0.31 0.49 1.36 -1.17 -1.11 0.00 0.00 175.55 175.42 3fjh s LEU 65 N -1.08 4.37 0.09 -1.29 2.96 0.39 0.44 118.68 124.56 3fjh s LEU 65 Ca 0.15 2.79 -0.11 0.00 -0.22 0.00 0.00 54.13 56.74 3fjh s LEU 65 Cb -0.11 -3.68 0.01 0.00 0.50 0.00 0.00 46.19 42.91 3fjh s LEU 65 CO 0.05 -0.67 0.26 0.00 -1.32 0.00 0.00 176.35 174.67 3fjh s ALA 66 N -1.15 -0.47 -0.10 5.97 0.00 -0.19 -4.37 121.76 121.45 3fjh s ALA 66 Ca 0.51 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.10 3fjh s ALA 66 Cb -0.42 0.51 0.02 0.00 0.00 0.00 0.00 23.12 23.23 3fjh s ALA 66 CO 0.56 -0.52 -0.11 1.41 0.00 0.00 0.00 175.76 177.10 3fjh s MET 67 N -3.61 1.73 0.95 0.00 1.75 -0.55 -0.93 119.30 118.64 3fjh s MET 67 Ca 0.03 -0.37 -0.14 0.00 -1.25 0.00 0.00 55.69 53.95 3fjh s MET 67 Cb 0.03 -1.60 0.21 0.00 2.84 0.00 0.00 34.83 36.31 3fjh s MET 67 CO -0.10 -0.14 1.30 0.16 -0.65 0.00 0.00 175.02 175.59 3fjh s ASP 68 N 1.25 3.09 0.24 1.11 1.47 -0.59 -4.81 116.67 118.43 3fjh s ASP 68 Ca -0.03 0.11 0.20 0.00 1.18 0.00 0.00 52.55 54.00 3fjh s ASP 68 Cb -0.14 -0.13 0.93 0.00 -0.34 0.00 0.00 42.92 43.24 3fjh s ASP 68 CO -0.04 -2.73 1.60 0.35 0.68 0.00 0.00 175.17 175.03 3fjh n THR 69 N -3.70 1.05 1.18 2.11 -2.24 -1.26 -0.49 114.28 110.92 3fjh n THR 69 Ca 0.16 0.47 0.12 0.00 -2.27 0.00 0.00 64.05 62.54 3fjh n THR 69 Cb 0.59 -1.42 0.24 0.00 -2.10 0.00 0.00 70.33 67.64 3fjh n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3fjh n ASP 70 N -2.11 1.73 0.00 3.42 8.00 -1.26 -4.95 116.55 121.37 3fjh n ASP 70 Ca 0.01 -1.36 0.00 0.00 0.71 0.00 0.00 54.79 54.14 3fjh n ASP 70 Cb 0.12 0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 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 1.34 0.78 3.79 0.44 0.00 0.36 -4.63 105.19 107.26 3fjh n GLY 71 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 4.39 0.48 0.99 2.01 -1.26 -0.18 118.68 125.11 3fjh s LEU 72 Ca 0.00 0.87 -0.20 0.00 0.01 0.00 0.00 54.13 54.81 3fjh s LEU 72 Cb 0.00 -2.60 -0.09 0.00 0.01 0.00 0.00 46.19 43.51 3fjh s LEU 72 CO 0.00 0.20 1.01 -0.76 1.01 0.00 0.00 176.35 177.81 3fjh s LEU 73 N -0.38 3.84 0.08 1.79 1.43 -1.26 -1.54 118.68 122.64 3fjh s LEU 73 Ca 0.24 1.83 -0.26 0.00 -1.03 0.00 0.00 54.13 54.90 3fjh s LEU 73 Cb -0.16 -4.55 0.08 0.00 0.03 0.00 0.00 46.19 41.59 3fjh s LEU 73 CO 0.11 -0.66 0.69 -0.72 0.23 0.00 0.00 176.35 176.00 3fjh s TYR 74 N -2.11 -0.51 -0.17 0.29 1.13 -0.10 -4.62 117.35 111.25 3fjh s TYR 74 Ca 0.65 0.45 -0.22 0.00 -1.41 0.00 0.00 57.07 56.54 3fjh s TYR 74 Cb -0.14 0.53 -0.03 0.00 -1.10 0.00 0.00 41.96 41.23 3fjh s TYR 74 CO 0.19 -0.73 0.66 0.20 -2.51 0.00 0.00 175.55 173.37 3fjh s GLY 75 N -2.38 2.14 -0.01 5.49 0.00 0.54 -1.02 107.32 112.08 3fjh s GLY 75 Ca -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 44.72 44.53 3fjh s GLY 75 CO -0.08 1.32 0.15 -0.45 0.00 0.00 0.00 173.10 174.05 3fjh s SER 76 N 1.12 6.18 0.50 1.64 0.15 0.17 -4.77 113.70 118.69 3fjh s SER 76 Ca 0.31 0.29 0.30 0.00 0.70 0.00 0.00 55.95 57.55 3fjh s SER 76 Cb -0.16 -1.90 1.07 0.00 -1.71 0.00 0.00 66.02 63.32 3fjh s SER 76 CO 0.12 0.26 1.87 1.56 1.20 0.00 0.00 173.24 178.25 3fjh h GLN 77 N 3.88 0.00 -5.60 5.44 1.08 -1.92 0.16 115.11 118.15 3fjh h GLN 77 Ca -0.49 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 56.26 3fjh h GLN 77 Cb 1.19 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.43 3fjh h GLN 77 CO 0.67 0.05 -0.77 0.95 -0.95 0.00 0.00 178.83 178.78 3fjh s THR 78 N -3.57 1.45 -1.30 -0.54 -4.23 -1.26 -4.82 115.64 101.37 3fjh s THR 78 Ca 0.02 -1.70 -0.09 0.00 -1.18 0.00 0.00 61.69 58.75 3fjh s THR 78 Cb 0.08 -1.55 0.15 0.00 1.34 0.00 0.00 72.50 72.52 3fjh s THR 78 CO 0.59 -0.34 1.98 -0.81 -0.54 0.00 0.00 174.62 175.51 3fjh n PRO 79 N 0.62 3.72 -0.80 3.99 -0.04 -1.26 -4.70 135.00 136.54 3fjh n PRO 79 Ca -0.16 -3.45 -0.03 0.00 -0.04 0.00 0.00 63.50 59.83 3fjh n PRO 79 Cb 0.56 -2.90 0.01 0.00 -0.04 0.00 0.00 33.50 31.14 3fjh n PRO 79 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3fjh n ASN 80 N 3.66 0.14 0.13 3.54 0.23 -1.26 -4.89 115.26 116.81 3fjh n ASN 80 Ca 0.44 -1.12 0.17 0.00 -0.53 0.00 0.00 54.58 53.53 3fjh n ASN 80 Cb 0.35 -0.08 0.73 0.00 -2.08 0.00 0.00 39.78 38.70 3fjh n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3fjh h GLU 81 N 0.00 0.00 0.00 -3.83 4.11 -1.98 -0.05 114.58 112.82 3fjh h GLU 81 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 3fjh h GLU 81 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3fjh h GLU 81 CO 0.04 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.51 3fjh n GLU 82 N -4.20 0.06 -0.03 1.06 1.02 -1.26 -3.36 120.64 113.93 3fjh n GLU 82 Ca 0.04 0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.34 3fjh n GLU 82 Cb 0.40 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.48 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 -1.47 2.46 -2.68 0.62 0.00 -0.03 -1.48 120.51 117.92 3fjh n ALA 83 Ca 0.07 -0.71 -0.39 0.00 0.00 0.00 0.00 53.44 52.41 3fjh n ALA 83 Cb 0.30 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.92 4.19 0.12 0.00 1.43 -1.21 -4.45 118.68 116.84 3fjh s LEU 84 Ca 0.31 0.71 0.09 0.00 -1.03 0.00 0.00 54.13 54.21 3fjh s LEU 84 Cb 0.20 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 3fjh s LEU 84 CO 0.31 -0.11 -0.23 -0.36 0.23 0.00 0.00 176.35 176.18 3fjh s PHE 85 N 1.28 2.01 -0.39 0.29 0.40 -0.31 -1.20 117.98 120.06 3fjh s PHE 85 Ca 0.24 -0.40 -0.19 0.00 -0.60 0.00 0.00 56.93 55.98 3fjh s PHE 85 Cb -0.15 -1.08 0.01 0.00 0.51 0.00 0.00 43.02 42.31 3fjh s PHE 85 CO 0.10 0.28 0.56 -0.51 0.70 0.00 0.00 175.22 176.34 3fjh s LEU 86 N -2.05 4.48 -0.31 -0.37 1.43 0.10 -0.44 118.68 121.52 3fjh s LEU 86 Ca 0.10 -0.23 -0.21 0.00 -1.03 0.00 0.00 54.13 52.76 3fjh s LEU 86 Cb -0.10 -2.62 -0.00 0.00 0.03 0.00 0.00 46.19 43.50 3fjh s LEU 86 CO 0.05 -0.61 0.67 -0.70 0.23 0.00 0.00 176.35 176.00 3fjh s GLU 87 N 2.53 3.88 0.11 1.70 2.12 -0.10 -1.69 118.70 127.25 3fjh s GLU 87 Ca 0.19 0.33 0.06 0.00 0.36 0.00 0.00 54.97 55.92 3fjh s GLU 87 Cb -0.15 -3.74 -0.04 0.00 0.26 0.00 0.00 34.13 30.46 3fjh s GLU 87 CO 0.15 -0.63 -0.14 1.03 -0.54 0.00 0.00 175.26 175.13 3fjh s ARG 88 N 2.72 0.99 0.41 4.30 1.81 -0.45 -4.66 118.95 124.06 3fjh s ARG 88 Ca 0.27 -1.20 -0.23 0.00 -1.72 0.00 0.00 55.73 52.86 3fjh s ARG 88 Cb -0.15 -0.89 -0.10 0.00 -0.45 0.00 0.00 34.95 33.37 3fjh s ARG 88 CO 0.13 0.17 0.98 -1.17 -0.68 0.00 0.00 175.30 174.73 3fjh s LEU 89 N -2.35 4.06 -0.01 2.53 2.96 0.14 -0.60 118.68 125.41 3fjh s LEU 89 Ca 0.07 1.82 -0.02 0.00 -0.22 0.00 0.00 54.13 55.78 3fjh s LEU 89 Cb -0.06 -4.36 0.00 0.00 0.50 0.00 0.00 46.19 42.28 3fjh s LEU 89 CO 0.03 -0.37 0.04 -0.70 -1.32 0.00 0.00 176.35 174.03 3fjh s GLU 90 N -2.80 0.10 -1.21 1.98 2.56 0.43 -4.82 118.70 114.94 3fjh s GLU 90 Ca 0.59 -0.03 -0.04 0.00 0.00 0.00 0.00 54.97 55.50 3fjh s GLU 90 Cb -0.15 0.04 0.03 0.00 2.00 0.00 0.00 34.13 36.05 3fjh s GLU 90 CO 0.19 -0.02 0.25 0.39 -0.56 0.00 0.00 175.26 175.51 3fjh n GLU 91 N 2.83 -2.95 -1.77 4.30 1.02 -1.26 -0.95 120.64 121.86 3fjh n GLU 91 Ca -0.14 0.60 -0.19 0.00 -0.02 0.00 0.00 57.16 57.41 3fjh n GLU 91 Cb 0.59 -5.27 -0.06 0.00 -0.02 0.00 0.00 31.44 26.68 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 -2.07 -5.19 0.05 1.62 4.13 -1.26 -4.62 115.26 107.92 3fjh n ASN 92 Ca -0.10 0.37 0.00 0.00 1.68 0.00 0.00 54.58 56.53 3fjh n ASN 92 Cb 0.59 -4.54 0.00 0.00 -1.54 0.00 0.00 39.78 34.28 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 -2.67 -2.05 -1.96 3.10 -0.00 -0.13 -5.15 115.22 106.35 3fjh n HIS 93 Ca -0.20 0.28 -0.29 0.00 0.46 0.00 0.00 57.72 57.98 3fjh n HIS 93 Cb 0.64 1.03 0.08 0.00 -0.12 0.00 0.00 29.99 31.62 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 3.03 -0.13 1.57 2.02 -0.18 -4.81 117.35 116.85 3fjh s TYR 94 Ca 0.00 0.75 -0.02 0.00 -0.37 0.00 0.00 57.07 57.44 3fjh s TYR 94 Cb 0.00 -3.34 -0.03 0.00 -0.40 0.00 0.00 41.96 38.19 3fjh s TYR 94 CO 0.00 -1.57 -0.05 -0.80 -1.57 0.00 0.00 175.55 171.56 3fjh s ASN 95 N -4.52 4.69 0.24 2.29 -0.87 0.10 -0.43 114.94 116.44 3fjh s ASN 95 Ca 0.61 -0.11 0.10 0.00 -1.57 0.00 0.00 52.86 51.89 3fjh s ASN 95 Cb -0.11 -1.58 -0.05 0.00 -0.02 0.00 0.00 41.25 39.49 3fjh s ASN 95 CO 0.49 0.23 -0.18 0.42 -2.57 0.00 0.00 177.10 175.48 3fjh s THR 96 N -0.02 2.16 -0.20 1.60 -4.23 0.23 -1.15 115.64 114.04 3fjh s THR 96 Ca 0.00 -2.26 -0.02 0.00 -1.18 0.00 0.00 61.69 58.23 3fjh s THR 96 Cb -0.13 -2.15 0.06 0.00 1.34 0.00 0.00 72.50 71.61 3fjh s THR 96 CO 0.03 -0.43 0.03 -0.31 -0.54 0.00 0.00 174.62 173.40 3fjh s TYR 97 N -2.53 1.17 -0.14 3.99 2.02 -1.26 -1.35 117.35 119.26 3fjh s TYR 97 Ca 0.25 -0.96 -0.07 0.00 -0.37 0.00 0.00 57.07 55.92 3fjh s TYR 97 Cb -0.04 -1.09 -0.04 0.00 -0.40 0.00 0.00 41.96 40.39 3fjh s TYR 97 CO 0.11 -0.63 0.13 0.42 -1.57 0.00 0.00 175.55 174.01 3fjh s ILE 98 N 1.81 5.41 0.06 2.71 1.01 -0.68 -0.77 121.20 130.75 3fjh s ILE 98 Ca -0.01 0.18 -0.30 0.00 0.00 0.00 0.00 60.65 60.51 3fjh s ILE 98 Cb -0.17 -3.38 -0.09 0.00 0.01 0.00 0.00 42.46 38.82 3fjh s ILE 98 CO -0.08 0.58 1.90 -0.55 0.00 0.00 0.00 174.94 176.78 3fjh s SER 99 N -0.69 6.46 0.11 3.58 0.15 -0.32 0.01 113.70 123.00 3fjh s SER 99 Ca 0.13 2.67 -0.18 0.00 0.70 0.00 0.00 55.95 59.27 3fjh s SER 99 Cb -0.12 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.60 3fjh s SER 99 CO 0.03 -1.03 1.66 0.50 1.20 0.00 0.00 173.24 175.59 3fjh h LYS 100 N 9.85 0.44 -0.94 5.44 3.64 -1.48 0.12 116.57 133.64 3fjh h LYS 100 Ca -0.48 -0.08 0.10 0.00 -1.27 0.00 0.00 60.65 58.92 3fjh h LYS 100 Cb 1.23 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.90 3fjh h LYS 100 CO 0.94 0.46 0.61 -0.22 -2.27 0.00 0.00 179.45 178.97 3fjh h LYS 101 N 0.33 0.93 -0.45 1.90 3.64 -1.77 -2.45 116.57 118.70 3fjh h LYS 101 Ca 0.10 -0.06 -0.23 0.00 -1.27 0.00 0.00 60.65 59.19 3fjh h LYS 101 Cb 0.18 -0.21 -0.14 0.00 -0.41 0.00 0.00 32.23 31.66 3fjh h LYS 101 CO -0.01 0.62 0.04 0.72 -2.27 0.00 0.00 179.45 178.55 3fjh n HIS 102 N -4.55 1.41 -0.24 1.91 8.25 -1.08 -4.75 115.22 116.17 3fjh n HIS 102 Ca 0.16 -1.62 0.06 0.00 -0.26 0.00 0.00 57.72 56.06 3fjh n HIS 102 Cb 0.31 -0.56 0.31 0.00 1.12 0.00 0.00 29.99 31.17 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 1.05 1.64 0.00 -1.41 0.00 -0.26 0.01 119.26 120.29 3fjh h ALA 103 Ca 0.28 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3fjh h ALA 103 Cb 1.85 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 3fjh h ALA 103 CO 0.50 0.23 -0.07 1.05 0.00 0.00 0.00 179.25 180.96 3fjh h GLU 104 N 0.86 0.00 -0.01 0.00 9.09 -1.85 -1.38 114.58 121.29 3fjh h GLU 104 Ca 0.35 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.76 3fjh h GLU 104 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 3fjh h GLU 104 CO -0.13 0.07 -0.21 1.63 0.05 0.00 0.00 179.01 180.43 3fjh n LYS 105 N -3.45 0.93 -3.63 1.06 5.02 -0.02 -4.95 118.16 113.12 3fjh n LYS 105 Ca -0.02 -0.53 -0.21 0.00 -2.02 0.00 0.00 58.31 55.54 3fjh n LYS 105 Cb 0.22 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 33.79 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 -0.57 -1.73 -4.57 4.39 4.13 -0.52 -4.96 115.26 111.42 3fjh n ASN 106 Ca 0.13 -0.75 -0.41 0.00 1.68 0.00 0.00 54.58 55.23 3fjh n ASN 106 Cb 0.34 -4.40 -0.08 0.00 -1.54 0.00 0.00 39.78 34.11 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 -3.55 3.20 0.20 3.10 0.51 -1.25 -4.48 118.94 116.68 3fjh s TRP 107 Ca 0.05 0.28 0.06 0.00 -2.12 0.00 0.00 56.10 54.37 3fjh s TRP 107 Cb -0.02 -2.86 -0.04 0.00 -0.81 0.00 0.00 33.47 29.74 3fjh s TRP 107 CO 0.79 -0.47 0.16 -0.06 -0.51 0.00 0.00 176.95 176.86 3fjh s PHE 108 N 2.35 3.13 0.09 -1.98 0.40 -1.26 -1.17 117.98 119.54 3fjh s PHE 108 Ca 0.19 -0.06 -0.30 0.00 -0.60 0.00 0.00 56.93 56.16 3fjh s PHE 108 Cb -0.15 -1.46 -0.05 0.00 0.51 0.00 0.00 43.02 41.86 3fjh s PHE 108 CO 0.12 0.52 1.03 0.08 0.70 0.00 0.00 175.22 177.67 3fjh s VAL 109 N -1.92 4.38 -0.05 -0.44 1.01 0.05 -4.54 120.40 118.89 3fjh s VAL 109 Ca 0.32 1.88 -0.29 0.00 0.00 0.00 0.00 61.98 63.89 3fjh s VAL 109 Cb -0.09 -4.20 0.07 0.00 0.00 0.00 0.00 36.38 32.15 3fjh s VAL 109 CO 0.24 0.24 0.65 -0.83 0.00 0.00 0.00 175.10 175.40 3fjh s GLY 110 N 0.37 -0.54 -0.05 4.51 0.00 -1.26 -4.45 107.32 105.90 3fjh s GLY 110 Ca 0.50 1.24 0.06 0.00 0.00 0.00 0.00 44.72 46.53 3fjh s GLY 110 CO 0.30 0.90 -0.24 1.08 0.00 0.00 0.00 173.10 175.14 3fjh s LEU 111 N -1.17 2.14 0.96 0.66 1.43 -0.83 0.28 118.68 122.17 3fjh s LEU 111 Ca -0.11 -0.46 -0.15 0.00 -1.03 0.00 0.00 54.13 52.38 3fjh s LEU 111 Cb -0.01 -1.39 0.18 0.00 0.03 0.00 0.00 46.19 45.01 3fjh s LEU 111 CO 0.09 0.28 1.22 -0.54 0.23 0.00 0.00 176.35 177.63 3fjh s LYS 112 N -0.35 0.70 0.44 1.70 1.02 0.11 -4.51 119.74 118.84 3fjh s LYS 112 Ca 0.02 -0.11 0.24 0.00 0.02 0.00 0.00 55.97 56.14 3fjh s LYS 112 Cb -0.12 -1.82 0.90 0.00 -0.52 0.00 0.00 37.83 36.27 3fjh s LYS 112 CO 0.02 -2.42 1.82 0.87 -0.92 0.00 0.00 175.35 174.72 3fjh h LYS 113 N -1.65 0.00 -0.01 1.68 1.57 -1.89 -2.68 116.57 113.59 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 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3fjh h LYS 113 CO 0.48 0.24 -0.03 0.27 -0.57 0.00 0.00 179.45 179.83 3fjh n ASN 114 N -3.41 0.66 0.00 0.86 0.23 -1.26 -4.68 115.26 107.66 3fjh n ASN 114 Ca 0.00 -1.08 0.00 0.00 -0.53 0.00 0.00 54.58 52.97 3fjh n ASN 114 Cb 0.43 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.12 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 1.13 0.65 3.86 4.83 0.00 -1.01 -5.00 105.19 109.65 3fjh n GLY 115 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.74 6.68 0.51 1.61 1.04 -1.26 0.29 113.70 119.83 3fjh s SER 116 Ca 0.00 1.07 -0.19 0.00 0.48 0.00 0.00 55.95 57.31 3fjh s SER 116 Cb 0.00 -2.29 -0.07 0.00 0.10 0.00 0.00 66.02 63.76 3fjh s SER 116 CO 0.00 -0.14 1.05 0.00 0.98 0.00 0.00 173.24 175.13 3fjh s LYS 118 N -3.40 3.42 -0.08 0.00 1.02 0.14 -4.74 119.74 116.11 3fjh s LYS 118 Ca 0.67 0.22 -0.12 0.00 0.02 0.00 0.00 55.97 56.76 3fjh s LYS 118 Cb -0.17 -2.32 -0.05 0.00 -0.52 0.00 0.00 37.83 34.77 3fjh s LYS 118 CO 0.24 -0.35 0.29 1.03 -0.92 0.00 0.00 175.35 175.63 3fjh s ARG 119 N -4.84 3.83 0.21 1.68 0.52 -1.26 -4.65 118.95 114.44 3fjh s ARG 119 Ca 0.50 0.15 -0.18 0.00 -0.52 0.00 0.00 55.73 55.68 3fjh s ARG 119 Cb -0.10 -3.26 0.20 0.00 0.52 0.00 0.00 34.95 32.31 3fjh s ARG 119 CO 0.46 0.62 1.46 0.41 0.02 0.00 0.00 175.30 178.27 3fjh n GLY 120 N 2.24 -1.99 0.34 -3.53 0.00 0.75 -0.01 105.19 102.99 3fjh n GLY 120 Ca -0.16 1.06 0.19 0.00 0.00 0.00 0.00 46.02 47.11 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 -0.67 1.61 0.11 -1.84 -0.46 132.00 130.75 3fjh h PRO 121 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 3fjh h PRO 121 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 3fjh h PRO 121 CO -0.93 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.40 3fjh n ARG 122 N -3.29 2.61 -4.15 1.05 5.12 0.98 -4.93 116.66 114.05 3fjh n ARG 122 Ca -0.01 -2.49 -0.23 0.00 -1.93 0.00 0.00 57.85 53.19 3fjh n ARG 122 Cb 0.22 -1.54 -0.05 0.00 -1.16 0.00 0.00 32.46 29.93 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 -1.11 4.23 -0.22 0.55 -4.23 -0.18 -4.88 115.64 109.79 3fjh s THR 123 Ca 0.46 -1.47 -0.33 0.00 -1.18 0.00 0.00 61.69 59.17 3fjh s THR 123 Cb 0.24 -3.27 0.15 0.00 1.34 0.00 0.00 72.50 70.97 3fjh s THR 123 CO 0.32 -0.32 1.24 -1.38 -0.54 0.00 0.00 174.62 173.93 3fjh s HIS 124 N -2.12 -0.13 0.44 3.99 -3.43 -1.26 -4.82 115.29 107.96 3fjh s HIS 124 Ca 0.32 0.14 -0.23 0.00 -0.80 0.00 0.00 55.06 54.50 3fjh s HIS 124 Cb -0.08 0.50 -0.11 0.00 -1.43 0.00 0.00 32.58 31.46 3fjh s HIS 124 CO 0.24 -0.16 0.81 0.66 -2.00 0.00 0.00 174.74 174.28 3fjh n TYR 125 N 0.21 0.42 0.00 0.38 4.01 -1.26 -2.49 117.16 118.42 3fjh n TYR 125 Ca -0.01 0.56 0.00 0.00 -0.16 0.00 0.00 57.90 58.30 3fjh n TYR 125 Cb 0.58 -2.12 0.00 0.00 -0.31 0.00 0.00 39.34 37.50 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 1.45 2.02 3.84 2.72 0.00 -1.26 -5.06 105.19 108.90 3fjh n GLY 126 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.83 4.03 0.30 1.61 -0.21 -1.04 -4.97 119.66 118.55 3fjh s GLN 127 Ca 0.00 0.91 0.21 0.00 0.02 0.00 0.00 55.36 56.50 3fjh s GLN 127 Cb 0.00 -2.22 0.14 0.00 1.00 0.00 0.00 33.01 31.92 3fjh s GLN 127 CO 0.00 -0.10 1.33 0.87 -2.12 0.00 0.00 175.29 175.27 3fjh h LYS 128 N 1.49 0.00 0.00 2.91 1.79 -1.97 -3.29 116.57 117.49 3fjh h LYS 128 Ca -0.48 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 57.96 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 0.62 0.12 -0.16 0.00 -1.08 0.00 0.00 179.45 178.95 3fjh h ALA 129 N 1.85 1.57 -0.01 3.86 0.00 -1.94 -2.48 119.26 122.11 3fjh h ALA 129 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3fjh h ALA 129 Cb 1.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3fjh h ALA 129 CO 0.02 0.20 -0.16 0.44 0.00 0.00 0.00 179.25 179.75 3fjh n ILE 130 N -4.11 0.00 -3.02 0.00 -5.35 -1.24 -1.96 119.36 103.69 3fjh n ILE 130 Ca -0.02 -0.16 -0.41 0.00 -0.27 0.00 0.00 62.75 61.88 3fjh n ILE 130 Cb 0.24 0.39 -0.06 0.00 -1.74 0.00 0.00 39.64 38.48 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 -2.33 4.08 0.16 7.28 1.43 -0.94 -4.46 118.68 123.91 3fjh s LEU 131 Ca 0.29 0.76 0.10 0.00 -1.03 0.00 0.00 54.13 54.25 3fjh s LEU 131 Cb 0.20 -2.98 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 3fjh s LEU 131 CO 0.45 -0.47 -0.22 -0.36 0.23 0.00 0.00 176.35 175.98 3fjh s PHE 132 N 2.69 2.09 -0.09 0.29 0.40 -0.30 -2.25 117.98 120.81 3fjh s PHE 132 Ca 0.30 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.23 3fjh s PHE 132 Cb -0.15 -1.07 0.02 0.00 0.51 0.00 0.00 43.02 42.34 3fjh s PHE 132 CO 0.09 0.38 -0.07 -1.17 0.70 0.00 0.00 175.22 175.16 3fjh s LEU 133 N -2.46 1.19 0.21 -0.37 2.96 0.54 0.00 118.68 120.75 3fjh s LEU 133 Ca 0.16 -0.24 -0.30 0.00 -0.22 0.00 0.00 54.13 53.54 3fjh s LEU 133 Cb -0.08 -0.71 -0.08 0.00 0.50 0.00 0.00 46.19 45.82 3fjh s LEU 133 CO 0.07 -0.09 1.12 -2.16 -1.32 0.00 0.00 176.35 173.97 3fjh s PRO 134 N 1.43 4.59 0.06 0.98 0.04 -1.26 -1.05 135.00 139.79 3fjh s PRO 134 Ca -0.01 1.77 0.04 0.00 0.04 0.00 0.00 61.00 62.84 3fjh s PRO 134 Cb -0.13 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 3fjh s PRO 134 CO -0.04 0.08 -0.13 -0.51 0.04 0.00 0.00 177.00 176.44 3fjh s LEU 135 N -0.64 2.24 0.63 -3.56 1.43 0.93 -4.94 118.68 114.77 3fjh s LEU 135 Ca 0.49 -0.55 -0.18 0.00 -1.03 0.00 0.00 54.13 52.86 3fjh s LEU 135 Cb -0.31 -0.46 -0.02 0.00 0.03 0.00 0.00 46.19 45.43 3fjh s LEU 135 CO 0.37 -0.07 1.22 -2.16 0.23 0.00 0.00 176.35 175.94 3fjh s PRO 136 N -1.50 2.76 0.00 1.29 0.04 -1.26 0.16 135.00 136.49 3fjh s PRO 136 Ca -0.02 1.83 0.16 0.00 0.04 0.00 0.00 61.00 63.00 3fjh s PRO 136 Cb -0.09 -1.90 0.95 0.00 0.04 0.00 0.00 34.50 33.50 3fjh s PRO 136 CO 0.02 -1.38 1.36 1.33 0.04 0.00 0.00 177.00 178.37