#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fjc n PHE 1 N 0.00 1.68 -2.74 -1.40 7.35 -1.26 -5.01 117.46 116.08 3fjc n PHE 1 Ca 0.00 -1.97 -0.43 0.00 -0.76 0.00 0.00 57.45 54.30 3fjc n PHE 1 Cb 0.00 -0.27 -0.03 0.00 0.35 0.00 0.00 39.48 39.53 3fjc n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 3fjc s ASN 2 N -3.50 7.01 0.05 -2.13 0.01 -1.26 -5.02 114.94 110.10 3fjc s ASN 2 Ca 0.39 1.26 0.03 0.00 -0.71 0.00 0.00 52.86 53.84 3fjc s ASN 2 Cb 0.37 -2.50 -0.04 0.00 0.41 0.00 0.00 41.25 39.49 3fjc s ASN 2 CO -0.02 -0.61 0.01 -0.76 -1.51 0.00 0.00 177.10 174.21 3fjc s LEU 3 N 3.02 3.52 0.62 0.60 1.43 -1.26 -0.97 118.68 125.64 3fjc s LEU 3 Ca 0.41 -0.09 -0.13 0.00 -1.03 0.00 0.00 54.13 53.29 3fjc s LEU 3 Cb -0.15 -2.15 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 3fjc s LEU 3 CO 0.07 0.22 1.04 -2.16 0.23 0.00 0.00 176.35 175.75 3fjc s PRO 4 N -2.01 3.36 0.57 1.29 0.04 -1.26 -4.64 135.00 132.35 3fjc s PRO 4 Ca 0.24 0.95 -0.10 0.00 0.04 0.00 0.00 61.00 62.13 3fjc s PRO 4 Cb -0.12 -2.05 0.13 0.00 0.04 0.00 0.00 34.50 32.51 3fjc s PRO 4 CO 0.15 -0.76 0.73 -0.35 0.04 0.00 0.00 177.00 176.82 3fjc n PRO 5 N -2.55 -0.92 0.00 0.56 -0.04 -1.26 -4.95 135.00 125.84 3fjc n PRO 5 Ca 0.07 -1.14 0.00 0.00 -0.04 0.00 0.00 63.50 62.39 3fjc n PRO 5 Cb 0.54 -0.79 0.00 0.00 -0.04 0.00 0.00 33.50 33.20 3fjc n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fjc n GLY 6 N -0.12 -1.68 0.00 0.55 0.00 -1.26 -5.08 105.19 97.61 3fjc n GLY 6 Ca 0.09 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3fjc n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fjc n ASN 7 N -1.59 1.08 -0.84 1.61 0.23 -1.26 -5.06 115.26 109.42 3fjc n ASN 7 Ca 0.00 -0.93 0.08 0.00 -0.53 0.00 0.00 54.58 53.20 3fjc n ASN 7 Cb 0.00 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 37.93 3fjc n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3fjc n TYR 8 N 0.00 0.82 -0.09 -2.53 4.01 -1.26 -4.71 117.16 113.39 3fjc n TYR 8 Ca 0.00 -0.75 -0.06 0.00 -0.16 0.00 0.00 57.90 56.94 3fjc n TYR 8 Cb 0.00 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 38.81 3fjc n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3fjc h LYS 9 N 1.96 -0.07 -6.23 -0.72 1.57 -1.97 -3.44 116.57 107.68 3fjc h LYS 9 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.21 3fjc h LYS 9 Cb 1.22 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 33.44 3fjc h LYS 9 CO 0.16 -0.04 -0.68 0.15 -0.57 0.00 0.00 179.45 178.47 3fjc s LYS 10 N -6.18 2.15 0.73 3.15 1.02 -1.26 -5.11 119.74 114.23 3fjc s LYS 10 Ca -0.14 -1.47 -0.12 0.00 0.02 0.00 0.00 55.97 54.26 3fjc s LYS 10 Cb 0.14 -2.08 0.04 0.00 -0.52 0.00 0.00 37.83 35.40 3fjc s LYS 10 CO 0.70 0.37 1.09 -1.25 -0.92 0.00 0.00 175.35 175.34 3fjc s PRO 11 N -3.55 2.46 0.21 -1.68 0.04 -1.26 -4.80 135.00 126.41 3fjc s PRO 11 Ca 0.30 1.21 -0.06 0.00 0.04 0.00 0.00 61.00 62.49 3fjc s PRO 11 Cb -0.06 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 3fjc s PRO 11 CO 0.18 -1.49 0.26 0.15 0.04 0.00 0.00 177.00 176.15 3fjc s LYS 12 N -4.69 1.29 -0.11 4.56 1.02 0.92 -3.87 119.74 118.86 3fjc s LYS 12 Ca 0.62 -1.43 -0.05 0.00 0.02 0.00 0.00 55.97 55.14 3fjc s LYS 12 Cb -0.18 0.35 -0.04 0.00 -0.52 0.00 0.00 37.83 37.44 3fjc s LYS 12 CO 0.52 -0.47 0.07 -0.51 -0.92 0.00 0.00 175.35 174.04 3fjc s LEU 13 N -3.08 3.98 -0.58 3.17 1.43 0.20 -0.67 118.68 123.12 3fjc s LEU 13 Ca 0.30 0.29 -0.16 0.00 -1.03 0.00 0.00 54.13 53.52 3fjc s LEU 13 Cb 0.04 -1.95 0.14 0.00 0.03 0.00 0.00 46.19 44.45 3fjc s LEU 13 CO 0.09 0.37 0.56 -0.76 0.23 0.00 0.00 176.35 176.84 3fjc s LEU 14 N -0.82 6.16 -0.19 1.79 1.43 -1.26 -0.49 118.68 125.30 3fjc s LEU 14 Ca 0.13 -1.86 -0.22 0.00 -1.03 0.00 0.00 54.13 51.15 3fjc s LEU 14 Cb -0.12 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 3fjc s LEU 14 CO 0.03 -0.86 0.68 -0.47 0.23 0.00 0.00 176.35 175.96 3fjc s TYR 15 N 1.56 3.38 -0.33 0.29 5.04 -0.23 -1.08 117.35 125.98 3fjc s TYR 15 Ca 0.06 1.00 -0.16 0.00 -2.44 0.00 0.00 57.07 55.53 3fjc s TYR 15 Cb -0.27 -2.85 -0.01 0.00 0.35 0.00 0.00 41.96 39.18 3fjc s TYR 15 CO 0.02 -0.20 0.44 0.00 -1.34 0.00 0.00 175.55 174.47 3fjc h SER 17 N 8.39 0.00 -0.56 0.00 4.64 -1.62 0.32 113.55 124.72 3fjc h SER 17 Ca -0.29 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.09 3fjc h SER 17 Cb 1.14 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.17 3fjc h SER 17 CO 0.72 0.00 0.27 -1.13 -0.87 0.00 0.00 176.83 175.83 3fjc h ASN 18 N 0.00 0.37 0.00 4.97 -1.24 -1.77 -3.31 115.58 114.60 3fjc h ASN 18 Ca -0.00 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.05 3fjc h ASN 18 Cb 0.29 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.32 3fjc h ASN 18 CO 0.00 0.24 0.00 0.61 -1.29 0.00 0.00 177.43 176.99 3fjc n GLY 19 N -1.27 -0.05 2.10 1.57 0.00 -1.19 -4.73 105.19 101.62 3fjc n GLY 19 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 3fjc n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fjc n GLY 20 N 0.00 0.45 3.88 -0.02 0.00 0.11 -5.03 105.19 104.59 3fjc n GLY 20 Ca 0.00 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 3fjc n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fjc s HIS 21 N -2.17 3.54 -0.12 1.61 3.76 -1.13 -4.64 115.29 116.13 3fjc s HIS 21 Ca 0.00 0.68 -0.19 0.00 -0.15 0.00 0.00 55.06 55.40 3fjc s HIS 21 Cb 0.00 -2.08 -0.04 0.00 1.11 0.00 0.00 32.58 31.57 3fjc s HIS 21 CO 0.00 0.50 0.51 -0.06 -0.85 0.00 0.00 174.74 174.84 3fjc s PHE 22 N -1.48 3.50 0.16 1.40 0.08 0.15 -0.89 117.98 120.90 3fjc s PHE 22 Ca 0.35 0.92 -0.31 0.00 0.12 0.00 0.00 56.93 58.01 3fjc s PHE 22 Cb -0.13 -2.60 -0.11 0.00 -0.57 0.00 0.00 43.02 39.61 3fjc s PHE 22 CO 0.20 0.13 1.77 -1.17 -0.10 0.00 0.00 175.22 176.05 3fjc s LEU 23 N 0.76 4.39 0.10 -0.37 2.96 -0.24 -1.49 118.68 124.79 3fjc s LEU 23 Ca 0.27 2.80 0.04 0.00 -0.22 0.00 0.00 54.13 57.02 3fjc s LEU 23 Cb -0.15 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 3fjc s LEU 23 CO 0.11 -0.98 -0.11 -0.60 -1.32 0.00 0.00 176.35 173.44 3fjc s ARG 24 N 2.03 0.88 -0.14 1.98 3.52 0.20 -4.48 118.95 122.95 3fjc s ARG 24 Ca 0.78 -1.15 -0.04 0.00 -0.13 0.00 0.00 55.73 55.19 3fjc s ARG 24 Cb -0.47 -0.65 0.07 0.00 -1.56 0.00 0.00 34.95 32.33 3fjc s ARG 24 CO 0.34 0.11 0.21 -1.50 -0.81 0.00 0.00 175.30 173.66 3fjc s ILE 25 N -2.23 -0.33 0.82 4.11 2.07 -1.05 -0.63 121.20 123.97 3fjc s ILE 25 Ca 0.05 0.19 -0.11 0.00 -1.41 0.00 0.00 60.65 59.36 3fjc s ILE 25 Cb -0.04 -0.46 0.08 0.00 0.13 0.00 0.00 42.46 42.17 3fjc s ILE 25 CO 0.01 0.03 1.10 -0.76 -1.91 0.00 0.00 174.94 173.41 3fjc s LEU 26 N 2.34 2.52 0.40 8.50 1.43 0.10 -4.85 118.68 129.13 3fjc s LEU 26 Ca 0.04 1.35 0.12 0.00 -1.03 0.00 0.00 54.13 54.60 3fjc s LEU 26 Cb -0.13 -3.92 0.94 0.00 0.03 0.00 0.00 46.19 43.11 3fjc s LEU 26 CO -0.09 -2.13 1.94 -0.65 0.23 0.00 0.00 176.35 175.66 3fjc h PRO 27 N -1.20 0.52 0.00 1.29 0.11 -2.00 0.32 132.00 131.04 3fjc h PRO 27 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3fjc h PRO 27 Cb 1.27 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3fjc h PRO 27 CO 0.58 0.34 0.00 -0.40 -0.21 0.00 0.00 178.00 178.32 3fjc n ASP 28 N -4.49 0.67 0.00 -2.05 5.75 -1.26 -4.88 116.55 110.30 3fjc n ASP 28 Ca 0.12 0.66 0.00 0.00 -0.01 0.00 0.00 54.79 55.56 3fjc n ASP 28 Cb 0.40 -0.80 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 3fjc n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fjc n GLY 29 N 0.09 0.66 3.75 6.12 0.00 0.10 -4.97 105.19 110.95 3fjc n GLY 29 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3fjc n GLY 29 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3fjc s THR 30 N -2.00 3.60 -0.12 2.61 -1.32 -1.25 -2.53 115.64 114.63 3fjc s THR 30 Ca 0.00 1.56 -0.00 0.00 -1.21 0.00 0.00 61.69 62.04 3fjc s THR 30 Cb 0.00 -3.99 -0.02 0.00 -1.51 0.00 0.00 72.50 66.98 3fjc s THR 30 CO 0.00 0.35 -0.11 -0.69 -2.21 0.00 0.00 174.62 171.96 3fjc s VAL 31 N -0.95 3.22 0.00 5.08 1.01 -1.26 -0.72 120.40 126.78 3fjc s VAL 31 Ca 0.45 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.82 3fjc s VAL 31 Cb -0.31 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.72 3fjc s VAL 31 CO 0.39 0.53 0.00 -0.90 0.00 0.00 0.00 175.10 175.12 3fjc n ASP 32 N 3.34 0.00 -4.02 3.32 5.75 0.20 -4.38 116.55 120.77 3fjc n ASP 32 Ca -0.18 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.46 3fjc n ASP 32 Cb 0.53 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.49 3fjc n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3fjc s GLY 33 N -0.04 0.40 0.05 6.12 0.00 0.58 0.60 107.32 115.03 3fjc s GLY 33 Ca 0.00 -0.54 0.04 0.00 0.00 0.00 0.00 44.72 44.22 3fjc s GLY 33 CO 0.00 -0.55 -0.11 -1.08 0.00 0.00 0.00 173.10 171.36 3fjc s THR 34 N -0.86 0.86 -1.57 0.90 -1.32 -0.56 -4.73 115.64 108.37 3fjc s THR 34 Ca -0.05 -1.14 0.25 0.00 -1.21 0.00 0.00 61.69 59.54 3fjc s THR 34 Cb -0.07 -0.85 0.12 0.00 -1.51 0.00 0.00 72.50 70.19 3fjc s THR 34 CO 0.00 -0.25 1.39 0.54 -2.21 0.00 0.00 174.62 174.10 3fjc n ARG 35 N 1.49 0.64 -2.75 7.08 1.74 -1.26 0.29 116.66 123.89 3fjc n ARG 35 Ca -0.21 -0.42 -0.43 0.00 -0.77 0.00 0.00 57.85 56.02 3fjc n ARG 35 Cb 0.55 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.46 3fjc n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3fjc s ASP 36 N -2.65 6.49 0.11 0.55 2.15 -1.26 -4.89 116.67 117.17 3fjc s ASP 36 Ca 0.19 0.11 0.19 0.00 0.43 0.00 0.00 52.55 53.47 3fjc s ASP 36 Cb 0.18 -2.48 0.79 0.00 -0.30 0.00 0.00 42.92 41.11 3fjc s ASP 36 CO 0.60 -1.18 1.59 0.54 -0.17 0.00 0.00 175.17 176.54 3fjc n ARG 37 N 7.53 0.09 0.00 4.34 1.74 -1.26 -1.80 116.66 127.29 3fjc n ARG 37 Ca 0.07 0.32 0.14 0.00 -0.77 0.00 0.00 57.85 57.61 3fjc n ARG 37 Cb 0.48 -1.66 0.62 0.00 -1.02 0.00 0.00 32.46 30.88 3fjc n ARG 37 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3fjc n SER 38 N -1.83 0.14 -4.72 0.55 3.41 -1.26 -4.87 113.62 105.05 3fjc n SER 38 Ca 0.03 0.03 -0.42 0.00 -0.26 0.00 0.00 58.87 58.25 3fjc n SER 38 Cb 0.20 -0.28 -0.01 0.00 -0.26 0.00 0.00 64.21 63.87 3fjc n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3fjc n ASP 39 N -1.34 3.11 -0.76 4.04 -0.08 -0.74 -4.91 116.55 115.87 3fjc n ASP 39 Ca 0.10 1.20 0.11 0.00 -1.51 0.00 0.00 54.79 54.69 3fjc n ASP 39 Cb 0.30 -1.52 0.32 0.00 2.34 0.00 0.00 41.12 42.56 3fjc n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3fjc n GLN 40 N 0.92 2.01 -2.27 -0.67 1.13 -1.26 -4.27 117.38 112.97 3fjc n GLN 40 Ca 0.05 -1.51 -0.23 0.00 -1.94 0.00 0.00 57.00 53.37 3fjc n GLN 40 Cb 0.36 -1.44 0.01 0.00 0.11 0.00 0.00 30.24 29.28 3fjc n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3fjc n HIS 41 N 0.75 2.85 -0.29 1.08 8.25 -1.26 -4.63 115.22 121.98 3fjc n HIS 41 Ca 0.17 -2.58 0.00 0.00 -0.26 0.00 0.00 57.72 55.05 3fjc n HIS 41 Cb 0.44 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.31 3fjc n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3fjc n ILE 42 N -0.59 0.00 -2.83 1.59 -5.35 -1.26 -2.53 119.36 108.39 3fjc n ILE 42 Ca 0.39 -0.27 -0.42 0.00 -0.27 0.00 0.00 62.75 62.18 3fjc n ILE 42 Cb 0.84 1.29 -0.04 0.00 -1.74 0.00 0.00 39.64 39.99 3fjc n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3fjc s GLN 43 N -0.20 4.38 0.06 6.28 1.11 -1.26 -4.37 119.66 125.67 3fjc s GLN 43 Ca 0.00 1.15 0.08 0.00 0.01 0.00 0.00 55.36 56.61 3fjc s GLN 43 Cb 0.00 -3.54 -0.03 0.00 -1.01 0.00 0.00 33.01 28.43 3fjc s GLN 43 CO 0.00 -0.25 -0.23 -1.58 0.01 0.00 0.00 175.29 173.24 3fjc s TRP 44 N 1.83 2.01 -0.23 0.91 0.52 0.16 -1.76 118.94 122.39 3fjc s TRP 44 Ca 0.43 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 56.17 3fjc s TRP 44 Cb -0.18 -1.17 0.04 0.00 -1.15 0.00 0.00 33.47 31.01 3fjc s TRP 44 CO 0.16 0.15 -0.14 -1.14 0.02 0.00 0.00 176.95 176.01 3fjc s GLN 45 N -1.43 2.65 0.20 4.98 2.00 0.87 -0.06 119.66 128.88 3fjc s GLN 45 Ca 0.09 -1.07 -0.03 0.00 -2.00 0.00 0.00 55.36 52.35 3fjc s GLN 45 Cb -0.09 -2.78 -0.05 0.00 0.80 0.00 0.00 33.01 30.89 3fjc s GLN 45 CO 0.03 -0.39 0.42 -0.51 -0.50 0.00 0.00 175.29 174.34 3fjc s LEU 46 N 1.22 4.20 -0.00 3.68 1.02 -1.26 -2.04 118.68 125.49 3fjc s LEU 46 Ca -0.02 0.54 -0.08 0.00 0.02 0.00 0.00 54.13 54.60 3fjc s LEU 46 Cb -0.17 -3.31 0.00 0.00 0.02 0.00 0.00 46.19 42.74 3fjc s LEU 46 CO -0.08 -0.04 0.15 -0.94 0.02 0.00 0.00 176.35 175.46 3fjc s SER 47 N -2.90 0.00 -0.23 2.29 1.04 -0.96 -4.79 113.70 108.16 3fjc s SER 47 Ca 0.41 -0.17 -0.09 0.00 0.48 0.00 0.00 55.95 56.58 3fjc s SER 47 Cb -0.11 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.18 3fjc s SER 47 CO 0.28 -0.37 0.11 0.00 0.98 0.00 0.00 173.24 174.24 3fjc s ALA 48 N -1.34 3.45 0.00 5.32 0.00 -1.26 -1.02 121.76 126.91 3fjc s ALA 48 Ca -0.14 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3fjc s ALA 48 Cb -0.07 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 20.88 3fjc s ALA 48 CO 0.02 -0.17 0.02 -1.91 0.00 0.00 0.00 175.76 173.72 3fjc n GLU 49 N 4.25 0.00 -3.16 0.00 4.07 -1.02 -4.93 120.64 119.85 3fjc n GLU 49 Ca -0.16 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 56.77 3fjc n GLU 49 Cb 0.52 -0.25 0.00 0.00 -0.06 0.00 0.00 31.44 31.65 3fjc n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 3fjc s SER 50 N -1.08 5.61 0.15 4.31 0.01 -1.26 -4.98 113.70 116.46 3fjc s SER 50 Ca 0.00 -0.44 -0.33 0.00 1.31 0.00 0.00 55.95 56.49 3fjc s SER 50 Cb 0.00 -0.73 -0.13 0.00 0.21 0.00 0.00 66.02 65.37 3fjc s SER 50 CO 0.00 -0.69 1.66 0.52 0.41 0.00 0.00 173.24 175.14 3fjc n VAL 51 N -1.77 0.08 -0.15 3.43 0.31 -1.26 -1.45 118.33 117.52 3fjc n VAL 51 Ca 0.06 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 3fjc n VAL 51 Cb 0.59 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 3fjc n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fjc n GLY 52 N 3.70 1.79 3.67 2.92 0.00 -1.26 -5.03 105.19 110.98 3fjc n GLY 52 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 3fjc n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fjc s GLU 53 N -0.31 2.86 0.06 1.61 2.02 -0.53 -0.75 118.70 123.66 3fjc s GLU 53 Ca 0.00 -0.52 -0.04 0.00 0.02 0.00 0.00 54.97 54.43 3fjc s GLU 53 Cb 0.00 -2.71 -0.02 0.00 0.10 0.00 0.00 34.13 31.50 3fjc s GLU 53 CO 0.00 0.66 0.06 0.14 0.02 0.00 0.00 175.26 176.14 3fjc s VAL 54 N -0.97 0.17 -0.01 2.63 -7.23 -0.25 -2.43 120.40 112.31 3fjc s VAL 54 Ca 0.16 -1.44 0.02 0.00 -1.81 0.00 0.00 61.98 58.91 3fjc s VAL 54 Cb -0.11 -1.29 -0.03 0.00 0.56 0.00 0.00 36.38 35.50 3fjc s VAL 54 CO 0.06 -0.79 -0.02 -0.31 -0.31 0.00 0.00 175.10 173.72 3fjc s TYR 55 N -3.54 3.02 -0.33 2.82 2.02 -0.18 -1.70 117.35 119.46 3fjc s TYR 55 Ca 0.03 0.05 0.03 0.00 -0.37 0.00 0.00 57.07 56.81 3fjc s TYR 55 Cb 0.04 -1.66 0.10 0.00 -0.40 0.00 0.00 41.96 40.04 3fjc s TYR 55 CO -0.09 0.43 0.06 0.42 -1.57 0.00 0.00 175.55 174.80 3fjc s ILE 56 N -1.03 1.86 -0.12 2.71 1.01 -1.26 -2.26 121.20 122.12 3fjc s ILE 56 Ca 0.18 -2.06 -0.03 0.00 0.00 0.00 0.00 60.65 58.73 3fjc s ILE 56 Cb -0.11 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 3fjc s ILE 56 CO 0.08 -0.62 -0.00 -0.75 0.00 0.00 0.00 174.94 173.65 3fjc s LYS 57 N 1.11 3.33 0.06 2.79 2.20 -0.87 -0.65 119.74 127.72 3fjc s LYS 57 Ca 0.11 -0.44 -0.31 0.00 -0.36 0.00 0.00 55.97 54.97 3fjc s LYS 57 Cb -0.18 -2.88 -0.06 0.00 -1.51 0.00 0.00 37.83 33.19 3fjc s LYS 57 CO -0.13 0.50 1.29 0.45 -0.36 0.00 0.00 175.35 177.10 3fjc s SER 58 N -0.32 6.96 0.26 1.43 0.15 0.87 -0.09 113.70 122.96 3fjc s SER 58 Ca 0.06 2.11 0.26 0.00 0.70 0.00 0.00 55.95 59.08 3fjc s SER 58 Cb -0.12 -2.58 0.75 0.00 -1.71 0.00 0.00 66.02 62.36 3fjc s SER 58 CO 0.02 -0.57 1.75 0.71 1.20 0.00 0.00 173.24 176.35 3fjc h THR 59 N 4.52 0.00 0.00 6.45 1.35 -1.67 0.11 112.91 123.67 3fjc h THR 59 Ca -0.41 -0.55 -0.18 0.00 -0.55 0.00 0.00 66.41 64.73 3fjc h THR 59 Cb 1.20 1.53 -0.03 0.00 -1.73 0.00 0.00 68.15 69.12 3fjc h THR 59 CO 0.85 0.00 -1.45 1.21 -0.25 0.00 0.00 175.52 175.87 3fjc n GLU 60 N -2.41 0.62 0.00 4.72 4.07 -1.26 -4.52 120.64 121.87 3fjc n GLU 60 Ca 0.05 0.22 0.00 0.00 -0.06 0.00 0.00 57.16 57.37 3fjc n GLU 60 Cb 0.43 -1.80 0.00 0.00 -0.06 0.00 0.00 31.44 30.01 3fjc n GLU 60 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3fjc n THR 61 N -2.89 0.00 -0.91 6.31 -2.24 -1.24 -5.01 114.28 108.30 3fjc n THR 61 Ca -0.10 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3fjc n THR 61 Cb 0.85 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.85 3fjc n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fjc n GLY 62 N 1.27 1.07 3.78 3.38 0.00 0.39 -5.01 105.19 110.08 3fjc n GLY 62 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3fjc n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fjc s GLN 63 N -0.05 3.98 -0.15 1.61 -0.21 -1.25 -4.69 119.66 118.90 3fjc s GLN 63 Ca 0.00 1.52 -0.08 0.00 0.02 0.00 0.00 55.36 56.82 3fjc s GLN 63 Cb 0.00 -2.39 -0.04 0.00 1.00 0.00 0.00 33.01 31.58 3fjc s GLN 63 CO 0.00 -0.31 0.13 0.71 -2.12 0.00 0.00 175.29 173.71 3fjc s TYR 64 N -1.72 3.53 0.38 0.91 1.51 0.14 -0.09 117.35 122.01 3fjc s TYR 64 Ca 0.62 0.46 -0.27 0.00 -1.01 0.00 0.00 57.07 56.86 3fjc s TYR 64 Cb -0.22 -2.01 -0.09 0.00 -0.11 0.00 0.00 41.96 39.53 3fjc s TYR 64 CO 0.27 0.59 1.27 -1.17 -1.11 0.00 0.00 175.55 175.39 3fjc s LEU 65 N -0.57 4.29 0.09 -1.29 2.96 0.18 -0.40 118.68 123.93 3fjc s LEU 65 Ca 0.13 2.58 -0.11 0.00 -0.22 0.00 0.00 54.13 56.51 3fjc s LEU 65 Cb -0.12 -3.84 0.01 0.00 0.50 0.00 0.00 46.19 42.74 3fjc s LEU 65 CO 0.02 -0.69 0.26 0.00 -1.32 0.00 0.00 176.35 174.62 3fjc s ALA 66 N -1.25 -0.47 -0.09 5.97 0.00 0.07 -4.44 121.76 121.56 3fjc s ALA 66 Ca 0.54 -0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.15 3fjc s ALA 66 Cb -0.37 0.49 0.02 0.00 0.00 0.00 0.00 23.12 23.26 3fjc s ALA 66 CO 0.48 -0.51 -0.13 1.41 0.00 0.00 0.00 175.76 177.00 3fjc s MET 67 N -3.54 1.90 0.80 0.00 1.75 -0.69 -0.79 119.30 118.74 3fjc s MET 67 Ca 0.02 -0.46 -0.10 0.00 -1.25 0.00 0.00 55.69 53.91 3fjc s MET 67 Cb 0.03 -1.63 0.18 0.00 2.84 0.00 0.00 34.83 36.24 3fjc s MET 67 CO -0.10 -0.05 1.09 -0.40 -0.65 0.00 0.00 175.02 174.92 3fjc n ASP 68 N 4.12 0.49 0.01 1.11 5.68 0.34 -4.82 116.55 123.49 3fjc n ASP 68 Ca -0.20 -1.64 0.05 0.00 -0.50 0.00 0.00 54.79 52.50 3fjc n ASP 68 Cb 0.51 -0.80 0.22 0.00 -1.14 0.00 0.00 41.12 39.92 3fjc n ASP 68 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3fjc n THR 69 N -3.32 1.34 0.80 2.12 -2.24 -1.26 -0.40 114.28 111.32 3fjc n THR 69 Ca 0.15 0.35 0.12 0.00 -2.27 0.00 0.00 64.05 62.40 3fjc n THR 69 Cb 0.52 -1.21 0.13 0.00 -2.10 0.00 0.00 70.33 67.68 3fjc n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3fjc n ASP 70 N -1.57 3.13 0.00 3.42 8.00 -1.26 -4.95 116.55 123.32 3fjc n ASP 70 Ca 0.02 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.53 3fjc n ASP 70 Cb 0.11 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 3fjc n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fjc n GLY 71 N 1.39 0.57 3.87 0.44 0.00 0.46 -4.64 105.19 107.28 3fjc n GLY 71 Ca 0.15 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 3fjc n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fjc s LEU 72 N 0.00 4.40 0.27 0.99 2.01 -1.26 -0.51 118.68 124.59 3fjc s LEU 72 Ca 0.00 0.63 -0.20 0.00 0.01 0.00 0.00 54.13 54.57 3fjc s LEU 72 Cb 0.00 -2.42 -0.09 0.00 0.01 0.00 0.00 46.19 43.69 3fjc s LEU 72 CO 0.00 0.33 0.79 -0.76 1.01 0.00 0.00 176.35 177.72 3fjc s LEU 73 N -1.30 4.28 0.29 1.79 1.43 -1.26 -0.50 118.68 123.40 3fjc s LEU 73 Ca 0.22 1.50 -0.18 0.00 -1.03 0.00 0.00 54.13 54.64 3fjc s LEU 73 Cb -0.14 -3.81 0.02 0.00 0.03 0.00 0.00 46.19 42.29 3fjc s LEU 73 CO 0.11 -0.05 0.66 -0.72 0.23 0.00 0.00 176.35 176.58 3fjc s TYR 74 N -1.65 0.03 -0.15 0.29 1.13 0.03 -4.66 117.35 112.37 3fjc s TYR 74 Ca 0.47 -0.48 -0.07 0.00 -1.41 0.00 0.00 57.07 55.58 3fjc s TYR 74 Cb -0.16 0.57 -0.04 0.00 -1.10 0.00 0.00 41.96 41.23 3fjc s TYR 74 CO 0.21 -1.21 0.09 0.20 -2.51 0.00 0.00 175.55 172.32 3fjc s GLY 75 N -2.97 2.01 -0.02 5.49 0.00 -1.05 -0.75 107.32 110.03 3fjc s GLY 75 Ca 0.15 -0.71 0.06 0.00 0.00 0.00 0.00 44.72 44.22 3fjc s GLY 75 CO 0.08 -0.17 -0.18 -0.45 0.00 0.00 0.00 173.10 172.38 3fjc s SER 76 N -0.31 3.70 0.39 1.64 0.15 0.46 -4.89 113.70 114.85 3fjc s SER 76 Ca 0.10 -0.33 0.21 0.00 0.70 0.00 0.00 55.95 56.63 3fjc s SER 76 Cb -0.12 -0.65 0.32 0.00 -1.71 0.00 0.00 66.02 63.87 3fjc s SER 76 CO 0.01 0.32 1.58 1.56 1.20 0.00 0.00 173.24 177.91 3fjc h GLN 77 N 5.20 0.00 -6.31 5.44 1.08 -1.89 0.41 115.11 119.04 3fjc h GLN 77 Ca -0.46 0.00 -0.63 0.00 -1.45 0.00 0.00 58.65 56.12 3fjc h GLN 77 Cb 1.14 0.00 -0.27 0.00 -0.05 0.00 0.00 27.48 28.31 3fjc h GLN 77 CO 0.49 0.17 -0.86 0.95 -0.95 0.00 0.00 178.83 178.63 3fjc s THR 78 N -3.17 1.83 -0.88 -0.54 -4.23 -1.26 -4.84 115.64 102.56 3fjc s THR 78 Ca 0.05 -1.21 -0.22 0.00 -1.18 0.00 0.00 61.69 59.13 3fjc s THR 78 Cb 0.06 -1.57 0.08 0.00 1.34 0.00 0.00 72.50 72.41 3fjc s THR 78 CO 0.69 0.31 1.21 -2.16 -0.54 0.00 0.00 174.62 174.13 3fjc s PRO 79 N -1.07 3.44 0.00 3.99 0.04 -1.26 -4.84 135.00 135.30 3fjc s PRO 79 Ca 0.09 -1.17 0.00 0.00 0.04 0.00 0.00 61.00 59.96 3fjc s PRO 79 Cb -0.09 -4.81 0.00 0.00 0.04 0.00 0.00 34.50 29.64 3fjc s PRO 79 CO 0.01 -1.97 0.00 0.27 0.04 0.00 0.00 177.00 175.36 3fjc n ASN 80 N 7.88 1.17 0.14 6.66 0.23 -1.26 -4.95 115.26 125.13 3fjc n ASN 80 Ca 0.18 -0.99 0.19 0.00 -0.53 0.00 0.00 54.58 53.42 3fjc n ASN 80 Cb 0.49 0.00 0.78 0.00 -2.08 0.00 0.00 39.78 38.97 3fjc n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3fjc h GLU 81 N 0.00 0.00 -0.00 -3.83 4.11 -1.98 0.15 114.58 113.03 3fjc h GLU 81 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3fjc h GLU 81 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3fjc h GLU 81 CO 0.00 0.00 -0.06 0.39 0.07 0.00 0.00 179.01 179.41 3fjc n GLU 82 N -3.78 0.35 0.00 1.06 1.02 -1.26 -3.59 120.64 114.43 3fjc n GLU 82 Ca 0.05 -0.05 0.11 0.00 -0.02 0.00 0.00 57.16 57.24 3fjc n GLU 82 Cb 0.48 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.39 3fjc n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fjc s LEU 84 N -2.69 4.28 0.12 0.00 1.43 -1.23 -4.41 118.68 116.17 3fjc s LEU 84 Ca 0.15 1.13 0.08 0.00 -1.03 0.00 0.00 54.13 54.46 3fjc s LEU 84 Cb 0.17 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 3fjc s LEU 84 CO 0.68 -0.16 -0.20 -0.36 0.23 0.00 0.00 176.35 176.54 3fjc s PHE 85 N 1.06 1.77 -0.42 0.29 0.40 -0.69 -1.01 117.98 119.39 3fjc s PHE 85 Ca 0.36 -0.44 -0.19 0.00 -0.60 0.00 0.00 56.93 56.06 3fjc s PHE 85 Cb -0.17 -0.95 0.02 0.00 0.51 0.00 0.00 43.02 42.43 3fjc s PHE 85 CO 0.16 0.23 0.56 -0.51 0.70 0.00 0.00 175.22 176.37 3fjc s LEU 86 N -2.11 4.57 -0.29 -0.37 1.43 0.16 -1.10 118.68 120.96 3fjc s LEU 86 Ca 0.09 -0.36 -0.24 0.00 -1.03 0.00 0.00 54.13 52.59 3fjc s LEU 86 Cb -0.09 -2.61 -0.00 0.00 0.03 0.00 0.00 46.19 43.52 3fjc s LEU 86 CO 0.05 -0.67 0.80 -0.70 0.23 0.00 0.00 176.35 176.06 3fjc s GLU 87 N 2.56 4.03 0.10 1.70 2.12 0.07 -1.94 118.70 127.33 3fjc s GLU 87 Ca 0.19 0.69 0.04 0.00 0.36 0.00 0.00 54.97 56.25 3fjc s GLU 87 Cb -0.15 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.50 3fjc s GLU 87 CO 0.16 -0.63 -0.11 1.03 -0.54 0.00 0.00 175.26 175.18 3fjc s ARG 88 N 2.93 0.86 0.38 4.30 1.81 -0.65 -4.71 118.95 123.86 3fjc s ARG 88 Ca 0.33 -1.15 -0.23 0.00 -1.72 0.00 0.00 55.73 52.96 3fjc s ARG 88 Cb -0.14 -0.58 -0.10 0.00 -0.45 0.00 0.00 34.95 33.67 3fjc s ARG 88 CO 0.11 0.10 0.94 -1.17 -0.68 0.00 0.00 175.30 174.60 3fjc s LEU 89 N -2.39 4.12 0.00 2.53 2.96 -0.15 -0.71 118.68 125.05 3fjc s LEU 89 Ca 0.05 1.74 0.00 0.00 -0.22 0.00 0.00 54.13 55.70 3fjc s LEU 89 Cb -0.04 -4.29 -0.00 0.00 0.50 0.00 0.00 46.19 42.36 3fjc s LEU 89 CO 0.00 -0.22 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.10 3fjc s GLU 90 N -2.67 0.10 -1.42 1.98 2.56 0.13 -4.82 118.70 114.57 3fjc s GLU 90 Ca 0.56 -0.13 -0.12 0.00 0.00 0.00 0.00 54.97 55.28 3fjc s GLU 90 Cb -0.13 -0.03 0.09 0.00 2.00 0.00 0.00 34.13 36.06 3fjc s GLU 90 CO 0.18 0.00 0.65 0.39 -0.56 0.00 0.00 175.26 175.92 3fjc n GLU 91 N 2.80 -3.85 -1.58 4.30 1.02 -1.26 -0.85 120.64 121.22 3fjc n GLU 91 Ca -0.14 0.50 -0.13 0.00 -0.02 0.00 0.00 57.16 57.37 3fjc n GLU 91 Cb 0.59 -5.26 -0.05 0.00 -0.02 0.00 0.00 31.44 26.70 3fjc n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fjc n ASN 92 N -2.47 -3.56 0.00 1.62 4.13 -1.26 -4.58 115.26 109.14 3fjc n ASN 92 Ca 0.01 0.30 0.00 0.00 1.68 0.00 0.00 54.58 56.57 3fjc n ASN 92 Cb 0.53 -3.27 0.00 0.00 -1.54 0.00 0.00 39.78 35.50 3fjc n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 3fjc n HIS 93 N -2.16 -1.00 -2.30 3.10 -0.00 -0.07 -5.15 115.22 107.64 3fjc n HIS 93 Ca -0.14 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.33 3fjc n HIS 93 Cb 0.46 0.42 0.06 0.00 -0.00 0.00 0.00 29.99 30.93 3fjc n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 3fjc s TYR 94 N -1.83 2.96 -0.12 1.57 2.02 -0.03 -4.82 117.35 117.11 3fjc s TYR 94 Ca 0.00 0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 57.08 3fjc s TYR 94 Cb 0.00 -3.05 -0.03 0.00 -0.40 0.00 0.00 41.96 38.48 3fjc s TYR 94 CO 0.00 -1.23 -0.03 -0.80 -1.57 0.00 0.00 175.55 171.92 3fjc s ASN 95 N -4.47 4.89 0.21 2.29 -0.87 -0.04 0.23 114.94 117.17 3fjc s ASN 95 Ca 0.59 -0.03 0.10 0.00 -1.57 0.00 0.00 52.86 51.94 3fjc s ASN 95 Cb -0.11 -1.56 -0.05 0.00 -0.02 0.00 0.00 41.25 39.51 3fjc s ASN 95 CO 0.44 0.27 -0.19 0.42 -2.57 0.00 0.00 177.10 175.46 3fjc s THR 96 N -0.22 2.09 -0.23 1.60 -4.23 0.11 -1.18 115.64 113.58 3fjc s THR 96 Ca 0.04 -2.12 -0.01 0.00 -1.18 0.00 0.00 61.69 58.42 3fjc s THR 96 Cb -0.13 -2.06 0.07 0.00 1.34 0.00 0.00 72.50 71.72 3fjc s THR 96 CO 0.02 -0.34 0.02 -0.31 -0.54 0.00 0.00 174.62 173.47 3fjc s TYR 97 N -2.25 1.60 -0.17 3.99 2.02 -1.26 -1.64 117.35 119.64 3fjc s TYR 97 Ca 0.22 -1.31 -0.08 0.00 -0.37 0.00 0.00 57.07 55.52 3fjc s TYR 97 Cb -0.05 -1.33 -0.05 0.00 -0.40 0.00 0.00 41.96 40.13 3fjc s TYR 97 CO 0.09 -0.71 0.12 0.42 -1.57 0.00 0.00 175.55 173.90 3fjc s ILE 98 N 1.66 5.29 0.06 2.71 1.01 -0.82 -0.96 121.20 130.15 3fjc s ILE 98 Ca -0.01 0.14 -0.32 0.00 0.00 0.00 0.00 60.65 60.46 3fjc s ILE 98 Cb -0.18 -3.37 -0.11 0.00 0.01 0.00 0.00 42.46 38.81 3fjc s ILE 98 CO -0.10 0.50 1.85 -0.24 0.00 0.00 0.00 174.94 176.95 3fjc n SER 99 N 3.05 3.82 -0.08 3.58 2.88 -0.60 0.36 113.62 126.63 3fjc n SER 99 Ca -0.17 0.98 -0.11 0.00 -1.33 0.00 0.00 58.87 58.24 3fjc n SER 99 Cb 0.53 -1.49 -0.04 0.00 -0.75 0.00 0.00 64.21 62.46 3fjc n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3fjc h LYS 100 N 8.82 0.38 -0.69 -1.46 3.64 -1.39 0.11 116.57 125.97 3fjc h LYS 100 Ca -0.47 -0.08 0.04 0.00 -1.27 0.00 0.00 60.65 58.86 3fjc h LYS 100 Cb 1.24 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 3fjc h LYS 100 CO 0.94 0.47 0.45 -0.22 -2.27 0.00 0.00 179.45 178.82 3fjc h LYS 101 N 0.22 0.77 -0.44 1.90 3.64 -1.76 -2.28 116.57 118.62 3fjc h LYS 101 Ca 0.08 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.24 3fjc h LYS 101 Cb 0.25 -0.17 -0.10 0.00 -0.41 0.00 0.00 32.23 31.80 3fjc h LYS 101 CO -0.00 0.51 0.07 0.72 -2.27 0.00 0.00 179.45 178.48 3fjc n HIS 102 N -4.46 1.42 -0.35 1.91 8.25 -1.10 -4.73 115.22 116.16 3fjc n HIS 102 Ca 0.09 -1.38 0.13 0.00 -0.26 0.00 0.00 57.72 56.30 3fjc n HIS 102 Cb 0.15 -0.51 0.32 0.00 1.12 0.00 0.00 29.99 31.07 3fjc n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fjc h ALA 103 N 1.41 1.69 0.00 -1.41 0.00 -0.16 0.17 119.26 120.96 3fjc h ALA 103 Ca 0.21 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3fjc h ALA 103 Cb 1.81 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.51 3fjc h ALA 103 CO 0.46 -0.05 0.00 1.05 0.00 0.00 0.00 179.25 180.71 3fjc h GLU 104 N 0.77 0.00 -0.01 0.00 9.09 -1.85 -1.92 114.58 120.66 3fjc h GLU 104 Ca 0.57 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.98 3fjc h GLU 104 Cb 0.88 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.98 3fjc h GLU 104 CO -0.36 0.00 -0.28 1.63 0.05 0.00 0.00 179.01 180.05 3fjc n LYS 105 N -2.83 1.20 -3.59 1.06 5.02 0.57 -4.96 118.16 114.64 3fjc n LYS 105 Ca -0.01 -0.86 -0.22 0.00 -2.02 0.00 0.00 58.31 55.21 3fjc n LYS 105 Cb 0.17 -1.48 0.07 0.00 -0.02 0.00 0.00 35.03 33.77 3fjc n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3fjc n ASN 106 N -0.15 -3.99 -4.63 4.39 4.13 -0.72 -4.97 115.26 109.32 3fjc n ASN 106 Ca 0.12 -0.63 -0.40 0.00 1.68 0.00 0.00 54.58 55.35 3fjc n ASN 106 Cb 0.41 -4.81 -0.07 0.00 -1.54 0.00 0.00 39.78 33.78 3fjc n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3fjc s TRP 107 N -3.38 3.30 0.29 3.10 0.51 -1.25 -4.43 118.94 117.08 3fjc s TRP 107 Ca 0.31 0.75 0.09 0.00 -2.12 0.00 0.00 56.10 55.13 3fjc s TRP 107 Cb -0.14 -2.76 -0.04 0.00 -0.81 0.00 0.00 33.47 29.71 3fjc s TRP 107 CO 0.75 -0.26 0.06 -0.06 -0.51 0.00 0.00 176.95 176.93 3fjc s PHE 108 N 2.24 2.73 0.18 -1.98 0.40 -1.26 -1.55 117.98 118.73 3fjc s PHE 108 Ca 0.24 -0.27 -0.28 0.00 -0.60 0.00 0.00 56.93 56.02 3fjc s PHE 108 Cb -0.16 -1.36 -0.08 0.00 0.51 0.00 0.00 43.02 41.94 3fjc s PHE 108 CO 0.09 0.52 0.87 0.08 0.70 0.00 0.00 175.22 177.48 3fjc s VAL 109 N -2.35 4.30 0.06 -0.44 1.01 -0.14 -4.51 120.40 118.34 3fjc s VAL 109 Ca 0.34 1.90 -0.26 0.00 0.00 0.00 0.00 61.98 63.95 3fjc s VAL 109 Cb -0.05 -4.24 0.09 0.00 0.00 0.00 0.00 36.38 32.18 3fjc s VAL 109 CO 0.21 0.47 0.75 -0.83 0.00 0.00 0.00 175.10 175.70 3fjc s GLY 110 N -0.89 -0.53 -0.05 4.51 0.00 -1.26 -4.47 107.32 104.62 3fjc s GLY 110 Ca 0.40 0.84 0.02 0.00 0.00 0.00 0.00 44.72 45.97 3fjc s GLY 110 CO 0.29 0.33 -0.07 1.08 0.00 0.00 0.00 173.10 174.72 3fjc s LEU 111 N -2.46 1.50 0.97 0.66 1.43 -0.73 -0.35 118.68 119.69 3fjc s LEU 111 Ca 0.02 -0.18 -0.13 0.00 -1.03 0.00 0.00 54.13 52.81 3fjc s LEU 111 Cb -0.01 -0.56 0.17 0.00 0.03 0.00 0.00 46.19 45.82 3fjc s LEU 111 CO -0.09 -0.01 1.12 -0.54 0.23 0.00 0.00 176.35 177.06 3fjc s LYS 112 N 0.72 0.70 0.57 1.70 1.02 0.40 -4.51 119.74 120.33 3fjc s LYS 112 Ca -0.11 0.34 0.35 0.00 0.02 0.00 0.00 55.97 56.56 3fjc s LYS 112 Cb -0.14 -1.78 1.62 0.00 -0.52 0.00 0.00 37.83 37.01 3fjc s LYS 112 CO 0.01 -2.51 2.09 0.87 -0.92 0.00 0.00 175.35 174.89 3fjc h LYS 113 N -1.73 0.00 -0.01 1.68 1.57 -1.87 -1.48 116.57 114.73 3fjc h LYS 113 Ca -0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3fjc h LYS 113 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 3fjc h LYS 113 CO 0.59 0.04 -0.01 0.27 -0.57 0.00 0.00 179.45 179.76 3fjc n ASN 114 N -3.20 0.86 0.00 0.86 0.23 -1.26 -4.80 115.26 107.96 3fjc n ASN 114 Ca -0.01 -1.24 0.00 0.00 -0.53 0.00 0.00 54.58 52.80 3fjc n ASN 114 Cb 0.24 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.94 3fjc n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3fjc n GLY 115 N 1.12 1.06 3.78 4.83 0.00 -0.56 -5.00 105.19 110.41 3fjc n GLY 115 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3fjc n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fjc s SER 116 N -2.93 7.19 0.52 1.61 1.04 -1.26 -0.31 113.70 119.56 3fjc s SER 116 Ca 0.00 1.41 -0.21 0.00 0.48 0.00 0.00 55.95 57.63 3fjc s SER 116 Cb 0.00 -2.43 -0.05 0.00 0.10 0.00 0.00 66.02 63.64 3fjc s SER 116 CO 0.00 0.19 1.25 0.00 0.98 0.00 0.00 173.24 175.65 3fjc s LYS 118 N -2.93 2.77 -0.11 0.00 1.02 0.52 -4.77 119.74 116.24 3fjc s LYS 118 Ca 0.70 0.01 -0.05 0.00 0.02 0.00 0.00 55.97 56.64 3fjc s LYS 118 Cb -0.33 -2.22 -0.04 0.00 -0.52 0.00 0.00 37.83 34.72 3fjc s LYS 118 CO 0.39 -0.85 0.10 1.03 -0.92 0.00 0.00 175.35 175.10 3fjc s ARG 119 N -5.09 3.31 0.21 1.68 0.52 -1.26 -4.69 118.95 113.64 3fjc s ARG 119 Ca 0.56 -0.22 -0.19 0.00 -0.52 0.00 0.00 55.73 55.35 3fjc s ARG 119 Cb -0.11 -3.07 0.19 0.00 0.52 0.00 0.00 34.95 32.48 3fjc s ARG 119 CO 0.46 0.75 1.52 0.41 0.02 0.00 0.00 175.30 178.45 3fjc n GLY 120 N 2.06 -2.10 0.34 -3.53 0.00 0.33 -0.03 105.19 102.26 3fjc n GLY 120 Ca -0.19 1.11 0.18 0.00 0.00 0.00 0.00 46.02 47.11 3fjc n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fjc h PRO 121 N 0.00 0.00 -0.12 1.61 0.11 -1.84 -0.48 132.00 131.28 3fjc h PRO 121 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 3fjc h PRO 121 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3fjc h PRO 121 CO -0.96 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.37 3fjc n ARG 122 N -3.47 2.02 -3.86 1.05 5.12 0.95 -4.92 116.66 113.55 3fjc n ARG 122 Ca -0.00 -1.50 -0.21 0.00 -1.93 0.00 0.00 57.85 54.21 3fjc n ARG 122 Cb 0.28 -1.46 -0.02 0.00 -1.16 0.00 0.00 32.46 30.10 3fjc n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3fjc s THR 123 N -1.87 4.57 -0.24 0.55 -4.23 -0.19 -4.91 115.64 109.32 3fjc s THR 123 Ca 0.34 -1.13 -0.37 0.00 -1.18 0.00 0.00 61.69 59.35 3fjc s THR 123 Cb 0.20 -3.56 0.15 0.00 1.34 0.00 0.00 72.50 70.63 3fjc s THR 123 CO 0.31 -0.27 1.33 -1.38 -0.54 0.00 0.00 174.62 174.06 3fjc s HIS 124 N -2.10 -0.05 0.40 3.99 -3.43 -1.26 -4.83 115.29 108.01 3fjc s HIS 124 Ca 0.37 0.03 -0.26 0.00 -0.80 0.00 0.00 55.06 54.40 3fjc s HIS 124 Cb -0.08 0.51 -0.10 0.00 -1.43 0.00 0.00 32.58 31.47 3fjc s HIS 124 CO 0.28 -0.08 1.21 0.66 -2.00 0.00 0.00 174.74 174.81 3fjc n TYR 125 N -0.07 1.92 0.00 0.38 4.01 -1.26 -2.73 117.16 119.41 3fjc n TYR 125 Ca 0.03 0.53 0.00 0.00 -0.16 0.00 0.00 57.90 58.30 3fjc n TYR 125 Cb 0.57 -2.35 0.00 0.00 -0.31 0.00 0.00 39.34 37.26 3fjc n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fjc n GLY 126 N 0.90 2.08 3.88 2.72 0.00 -1.26 -5.08 105.19 108.43 3fjc n GLY 126 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 3fjc n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fjc s GLN 127 N -0.90 3.66 0.16 1.61 -0.21 -1.10 -4.99 119.66 117.89 3fjc s GLN 127 Ca 0.00 0.56 0.20 0.00 0.02 0.00 0.00 55.36 56.14 3fjc s GLN 127 Cb 0.00 -2.23 -0.04 0.00 1.00 0.00 0.00 33.01 31.74 3fjc s GLN 127 CO 0.00 -0.33 0.99 0.87 -2.12 0.00 0.00 175.29 174.70 3fjc h LYS 128 N 0.27 0.00 0.00 2.91 1.79 -1.97 -3.34 116.57 116.22 3fjc h LYS 128 Ca -0.46 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.00 3fjc h LYS 128 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 3fjc h LYS 128 CO 0.62 0.15 -0.05 0.00 -1.08 0.00 0.00 179.45 179.09 3fjc h ALA 129 N 1.73 1.15 -0.01 3.86 0.00 -1.94 -2.53 119.26 121.52 3fjc h ALA 129 Ca -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3fjc h ALA 129 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3fjc h ALA 129 CO 0.02 0.06 -0.31 0.44 0.00 0.00 0.00 179.25 179.46 3fjc n ILE 130 N -3.36 0.00 -3.02 0.00 -5.35 -1.25 -1.77 119.36 104.61 3fjc n ILE 130 Ca -0.02 -0.14 -0.41 0.00 -0.27 0.00 0.00 62.75 61.91 3fjc n ILE 130 Cb 0.19 0.51 -0.06 0.00 -1.74 0.00 0.00 39.64 38.54 3fjc n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3fjc s LEU 131 N -2.53 4.10 0.24 7.28 1.43 -0.95 -4.42 118.68 123.82 3fjc s LEU 131 Ca 0.23 0.63 0.11 0.00 -1.03 0.00 0.00 54.13 54.07 3fjc s LEU 131 Cb 0.19 -2.97 -0.05 0.00 0.03 0.00 0.00 46.19 43.39 3fjc s LEU 131 CO 0.54 -0.52 -0.21 -0.36 0.23 0.00 0.00 176.35 176.03 3fjc s PHE 132 N 2.77 2.24 -0.10 0.29 0.40 -0.32 -1.85 117.98 121.41 3fjc s PHE 132 Ca 0.29 -0.36 -0.01 0.00 -0.60 0.00 0.00 56.93 56.26 3fjc s PHE 132 Cb -0.15 -1.03 0.03 0.00 0.51 0.00 0.00 43.02 42.38 3fjc s PHE 132 CO 0.11 0.61 -0.03 -1.17 0.70 0.00 0.00 175.22 175.44 3fjc s LEU 133 N -3.18 0.89 -0.71 -0.37 2.96 0.14 -0.86 118.68 117.55 3fjc s LEU 133 Ca 0.26 -0.21 -0.27 0.00 -0.22 0.00 0.00 54.13 53.69 3fjc s LEU 133 Cb -0.06 -0.64 0.02 0.00 0.50 0.00 0.00 46.19 46.02 3fjc s LEU 133 CO 0.12 -0.16 1.39 -2.16 -1.32 0.00 0.00 176.35 174.23 3fjc s PRO 134 N 1.84 3.09 -0.05 0.98 0.04 -1.26 -1.07 135.00 138.57 3fjc s PRO 134 Ca 0.05 -0.05 -0.09 0.00 0.04 0.00 0.00 61.00 60.95 3fjc s PRO 134 Cb -0.13 -4.21 -0.05 0.00 0.04 0.00 0.00 34.50 30.15 3fjc s PRO 134 CO -0.07 -2.25 0.25 -0.51 0.04 0.00 0.00 177.00 174.46 3fjc s LEU 135 N 6.37 4.41 0.75 -3.56 1.43 0.36 -4.87 118.68 123.56 3fjc s LEU 135 Ca 0.42 0.63 -0.15 0.00 -1.03 0.00 0.00 54.13 54.00 3fjc s LEU 135 Cb -0.09 -2.37 0.05 0.00 0.03 0.00 0.00 46.19 43.81 3fjc s LEU 135 CO 0.17 0.35 1.21 -2.16 0.23 0.00 0.00 176.35 176.15 3fjc s PRO 136 N -1.23 2.02 0.00 1.29 0.04 -1.26 0.59 135.00 136.45 3fjc s PRO 136 Ca 0.21 1.78 0.32 0.00 0.04 0.00 0.00 61.00 63.35 3fjc s PRO 136 Cb -0.14 -1.82 1.90 0.00 0.04 0.00 0.00 34.50 34.49 3fjc s PRO 136 CO 0.10 -1.93 2.23 1.33 0.04 0.00 0.00 177.00 178.76