#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gft n GLN -1 N 0.00 0.97 0.00 -4.13 6.02 -1.26 -5.09 117.38 113.89 3gft n GLN -1 Ca 0.00 -2.51 0.00 0.00 -0.01 0.00 0.00 57.00 54.48 3gft n GLN -1 Cb 0.00 -1.12 0.00 0.00 1.02 0.00 0.00 30.24 30.14 3gft n GLN -1 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gft n GLY 0 N -0.75 2.48 3.17 1.08 0.00 -1.26 -5.07 105.19 104.85 3gft n GLY 0 Ca 0.13 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.68 3gft n GLY 0 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3gft n MET 1 N -0.66 -0.29 -2.40 1.61 0.00 -1.26 -4.88 117.12 109.23 3gft n MET 1 Ca 0.00 -0.07 -0.41 0.00 0.00 0.00 0.00 57.70 57.22 3gft n MET 1 Cb 0.00 -1.37 -0.04 0.00 0.00 0.00 0.00 33.22 31.81 3gft n MET 1 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 3gft s THR 2 N -2.16 3.57 -0.14 3.17 2.01 -1.24 -4.82 115.64 116.03 3gft s THR 2 Ca 0.47 1.37 -0.11 0.00 0.31 0.00 0.00 61.69 63.73 3gft s THR 2 Cb -0.14 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 3gft s THR 2 CO 0.73 0.24 0.21 -0.70 -0.69 0.00 0.00 174.62 174.41 3gft s GLU 3 N -0.49 3.93 -0.14 4.92 2.12 -1.26 0.19 118.70 127.97 3gft s GLU 3 Ca 0.51 -0.04 0.03 0.00 0.36 0.00 0.00 54.97 55.83 3gft s GLU 3 Cb -0.32 -3.32 0.01 0.00 0.26 0.00 0.00 34.13 30.75 3gft s GLU 3 CO 0.38 0.48 -0.22 0.71 -0.54 0.00 0.00 175.26 176.07 3gft s TYR 4 N -0.22 2.66 -0.43 5.30 2.02 0.64 -4.94 117.35 122.39 3gft s TYR 4 Ca 0.14 -1.33 -0.19 0.00 -0.37 0.00 0.00 57.07 55.32 3gft s TYR 4 Cb -0.12 -1.81 0.02 0.00 -0.40 0.00 0.00 41.96 39.65 3gft s TYR 4 CO 0.03 -0.60 0.52 0.15 -1.57 0.00 0.00 175.55 174.08 3gft s LYS 5 N 0.79 3.17 -0.09 -0.62 1.02 -1.26 -0.60 119.74 122.14 3gft s LYS 5 Ca -0.08 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.31 3gft s LYS 5 Cb -0.16 -3.96 -0.03 0.00 -0.52 0.00 0.00 37.83 33.17 3gft s LYS 5 CO -0.01 -0.91 -0.09 -0.51 -0.92 0.00 0.00 175.35 172.91 3gft s LEU 6 N 2.41 3.02 -0.09 3.17 1.43 0.80 -0.59 118.68 128.83 3gft s LEU 6 Ca 0.16 -0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.17 3gft s LEU 6 Cb -0.16 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 3gft s LEU 6 CO 0.16 0.28 -0.22 -0.69 0.23 0.00 0.00 176.35 176.11 3gft s VAL 7 N -0.34 2.30 -0.29 -1.59 1.01 0.12 -0.20 120.40 121.41 3gft s VAL 7 Ca 0.04 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 3gft s VAL 7 Cb -0.13 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.37 3gft s VAL 7 CO 0.02 0.56 0.09 -0.69 0.00 0.00 0.00 175.10 175.08 3gft s VAL 8 N 0.18 4.12 0.22 2.92 1.01 -0.23 -0.36 120.40 128.26 3gft s VAL 8 Ca -0.13 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.38 3gft s VAL 8 Cb -0.16 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 3gft s VAL 8 CO 0.07 0.14 -0.10 0.68 0.00 0.00 0.00 175.10 175.89 3gft s VAL 9 N 1.54 1.52 0.00 2.92 -7.23 -0.42 -2.31 120.40 116.43 3gft s VAL 9 Ca 0.04 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 3gft s VAL 9 Cb -0.17 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.63 3gft s VAL 9 CO 0.03 -0.52 0.00 0.61 -0.31 0.00 0.00 175.10 174.92 3gft n GLY 10 N -0.40 1.47 3.72 2.32 0.00 -1.26 -1.09 105.19 109.94 3gft n GLY 10 Ca -0.07 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.66 3gft n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gft s ALA 11 N -1.21 2.10 0.26 4.61 0.00 -1.26 -4.92 121.76 121.34 3gft s ALA 11 Ca 0.00 0.97 -0.31 0.00 0.00 0.00 0.00 51.96 52.62 3gft s ALA 11 Cb 0.00 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 19.50 3gft s ALA 11 CO 0.00 -1.93 1.63 0.20 0.00 0.00 0.00 175.76 175.66 3gft s GLY 12 N -1.89 1.83 0.00 0.00 0.00 -1.26 -2.95 107.32 103.04 3gft s GLY 12 Ca 0.76 1.56 0.00 0.00 0.00 0.00 0.00 44.72 47.04 3gft s GLY 12 CO 0.45 2.64 0.00 0.61 0.00 0.00 0.00 173.10 176.81 3gft n GLY 13 N 2.77 0.77 0.22 0.20 0.00 -1.26 -4.93 105.19 102.97 3gft n GLY 13 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 3gft n GLY 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3gft h VAL 14 N 0.00 0.22 0.00 1.61 -1.51 -1.91 -3.47 116.25 111.18 3gft h VAL 14 Ca 0.00 -1.09 0.00 0.00 -1.23 0.00 0.00 66.70 64.38 3gft h VAL 14 Cb 0.00 1.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.08 3gft h VAL 14 CO 0.00 0.11 0.00 0.61 -1.23 0.00 0.00 177.57 177.06 3gft n GLY 15 N 0.73 1.94 0.24 5.19 0.00 -1.26 -4.52 105.19 107.51 3gft n GLY 15 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 3gft n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gft h LYS 16 N 0.00 -0.33 -0.16 1.61 1.57 -1.91 -0.63 116.57 116.72 3gft h LYS 16 Ca 0.00 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3gft h LYS 16 Cb 0.00 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3gft h LYS 16 CO 0.00 -0.22 0.07 0.77 -0.57 0.00 0.00 179.45 179.50 3gft h SER 17 N -0.35 0.21 -0.97 0.86 0.02 -1.96 -2.57 113.55 108.79 3gft h SER 17 Ca 0.05 -0.15 0.06 0.00 -0.84 0.00 0.00 61.79 60.92 3gft h SER 17 Cb 0.41 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.83 3gft h SER 17 CO -0.17 0.30 0.63 0.00 -1.14 0.00 0.00 176.83 176.45 3gft h ALA 18 N 0.92 1.44 -0.28 3.77 0.00 -1.86 0.14 119.26 123.38 3gft h ALA 18 Ca 0.05 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3gft h ALA 18 Cb 0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3gft h ALA 18 CO -0.01 0.42 -0.09 -0.07 0.00 0.00 0.00 179.25 179.51 3gft h LEU 19 N 1.14 0.57 -0.32 0.00 3.38 -1.10 -1.95 115.31 117.02 3gft h LEU 19 Ca 0.42 -0.38 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 3gft h LEU 19 Cb 0.17 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3gft h LEU 19 CO -0.16 0.82 -0.16 0.74 0.09 0.00 0.00 178.44 179.77 3gft h THR 20 N 0.31 1.29 -0.64 0.22 2.02 -0.97 -2.18 112.91 112.97 3gft h THR 20 Ca 0.07 -1.27 -0.08 0.00 0.77 0.00 0.00 66.41 65.90 3gft h THR 20 Cb 0.58 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 3gft h THR 20 CO 0.03 0.41 0.08 0.40 0.37 0.00 0.00 175.52 176.81 3gft h ILE 21 N 0.44 1.26 -0.94 3.11 1.08 -0.78 -1.13 117.51 120.55 3gft h ILE 21 Ca 0.07 -1.05 -0.00 0.00 -0.39 0.00 0.00 64.86 63.49 3gft h ILE 21 Cb 0.69 0.68 -0.05 0.00 -3.07 0.00 0.00 36.82 35.08 3gft h ILE 21 CO 0.05 0.39 0.58 -0.61 -0.69 0.00 0.00 178.15 177.87 3gft h GLN 22 N 1.00 1.26 -0.23 2.37 5.75 -1.24 0.30 115.11 124.32 3gft h GLN 22 Ca 0.19 -0.10 -0.07 0.00 -0.15 0.00 0.00 58.65 58.52 3gft h GLN 22 Cb 0.46 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 3gft h GLN 22 CO 0.02 0.87 -0.14 1.25 -2.65 0.00 0.00 178.83 178.17 3gft h LEU 23 N 1.28 0.52 0.09 -2.39 5.85 -0.78 -1.23 115.31 118.66 3gft h LEU 23 Ca 0.34 -0.43 -0.21 0.00 0.84 0.00 0.00 57.88 58.41 3gft h LEU 23 Cb -0.08 -0.15 0.02 0.00 0.37 0.00 0.00 40.66 40.82 3gft h LEU 23 CO -0.07 0.84 -0.89 0.40 -0.34 0.00 0.00 178.44 178.38 3gft h ILE 24 N 0.21 1.41 -0.00 4.05 1.08 -0.93 -3.39 117.51 119.93 3gft h ILE 24 Ca 0.05 -2.36 0.00 0.00 -0.39 0.00 0.00 64.86 62.15 3gft h ILE 24 Cb 0.66 2.84 0.00 0.00 -3.07 0.00 0.00 36.82 37.25 3gft h ILE 24 CO 0.04 0.69 -0.21 0.00 -0.69 0.00 0.00 178.15 177.98 3gft n GLN 25 N -4.05 3.09 -2.98 2.37 6.02 0.10 -4.97 117.38 116.97 3gft n GLN 25 Ca -0.13 -0.34 -0.22 0.00 -0.01 0.00 0.00 57.00 56.31 3gft n GLN 25 Cb 0.83 -0.94 0.02 0.00 1.02 0.00 0.00 30.24 31.17 3gft n GLN 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3gft n ASN 26 N -0.60 -5.46 -4.10 1.08 4.13 -0.47 -4.97 115.26 104.87 3gft n ASN 26 Ca 0.02 -0.24 -0.28 0.00 1.68 0.00 0.00 54.58 55.76 3gft n ASN 26 Cb 0.14 -4.46 -0.17 0.00 -1.54 0.00 0.00 39.78 33.76 3gft n ASN 26 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 3gft s HIS 27 N -3.07 1.96 -0.34 3.10 2.46 -1.25 -4.98 115.29 113.18 3gft s HIS 27 Ca 0.27 -0.80 -0.21 0.00 0.47 0.00 0.00 55.06 54.78 3gft s HIS 27 Cb -0.13 -1.37 0.00 0.00 -0.13 0.00 0.00 32.58 30.95 3gft s HIS 27 CO 0.33 -0.37 0.68 0.12 -2.47 0.00 0.00 174.74 173.03 3gft s PHE 28 N 0.61 3.17 -0.35 3.88 5.36 -1.26 -3.14 117.98 126.25 3gft s PHE 28 Ca -0.15 0.52 -0.20 0.00 -0.96 0.00 0.00 56.93 56.14 3gft s PHE 28 Cb -0.16 -3.15 0.00 0.00 -0.34 0.00 0.00 43.02 39.37 3gft s PHE 28 CO 0.04 -0.59 0.64 0.14 -1.46 0.00 0.00 175.22 173.99 3gft s VAL 29 N 2.78 4.89 -0.32 3.12 -7.23 -1.26 -4.94 120.40 117.45 3gft s VAL 29 Ca 0.27 0.61 0.23 0.00 -1.81 0.00 0.00 61.98 61.27 3gft s VAL 29 Cb -0.14 -4.07 -0.04 0.00 0.56 0.00 0.00 36.38 32.69 3gft s VAL 29 CO 0.14 -0.30 1.03 -0.67 -0.31 0.00 0.00 175.10 174.99 3gft n ASP 30 N 6.03 0.73 -0.03 4.85 2.03 -1.26 -4.87 116.55 124.04 3gft n ASP 30 Ca -0.01 0.20 -0.06 0.00 0.52 0.00 0.00 54.79 55.45 3gft n ASP 30 Cb 0.49 0.59 -0.02 0.00 -0.72 0.00 0.00 41.12 41.45 3gft n ASP 30 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3gft n GLU 31 N -2.48 0.28 0.00 -0.67 0.00 -1.26 -5.23 120.64 111.28 3gft n GLU 31 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 57.16 57.27 3gft n GLU 31 Cb 0.52 -0.98 0.00 0.00 0.00 0.00 0.00 31.44 30.98 3gft n GLU 31 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3gft n ASP 38 N -3.96 0.00 -4.47 -1.84 8.00 -1.23 -5.05 116.55 108.00 3gft n ASP 38 Ca -0.09 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.08 3gft n ASP 38 Cb 0.31 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.28 3gft n ASP 38 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3gft s SER 39 N 0.00 4.15 0.18 -2.24 0.01 -1.26 -0.90 113.70 113.64 3gft s SER 39 Ca 0.00 -0.19 0.07 0.00 1.31 0.00 0.00 55.95 57.13 3gft s SER 39 Cb 0.00 -1.10 -0.04 0.00 0.21 0.00 0.00 66.02 65.08 3gft s SER 39 CO 0.00 0.30 -0.14 -0.31 0.41 0.00 0.00 173.24 173.50 3gft s TYR 40 N -0.46 1.60 -0.01 2.43 1.51 -0.12 -4.96 117.35 117.35 3gft s TYR 40 Ca 0.06 -0.60 0.02 0.00 -1.01 0.00 0.00 57.07 55.54 3gft s TYR 40 Cb -0.12 -0.77 -0.00 0.00 -0.11 0.00 0.00 41.96 40.96 3gft s TYR 40 CO 0.02 0.28 -0.05 1.03 -1.11 0.00 0.00 175.55 175.72 3gft s ARG 41 N -3.51 0.46 -0.14 -0.62 0.52 -1.26 -0.43 118.95 113.98 3gft s ARG 41 Ca 0.19 -0.19 -0.09 0.00 -0.52 0.00 0.00 55.73 55.12 3gft s ARG 41 Cb -0.01 -0.45 0.04 0.00 0.52 0.00 0.00 34.95 35.06 3gft s ARG 41 CO 0.05 0.11 0.34 0.21 0.02 0.00 0.00 175.30 176.03 3gft s LYS 42 N -0.07 0.35 -0.20 3.54 2.20 -0.61 -5.00 119.74 119.95 3gft s LYS 42 Ca 0.01 0.59 -0.15 0.00 -0.36 0.00 0.00 55.97 56.06 3gft s LYS 42 Cb -0.03 0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.29 3gft s LYS 42 CO -0.00 -0.11 0.38 -1.14 -0.36 0.00 0.00 175.35 174.11 3gft s GLN 43 N 0.86 4.17 0.10 4.03 0.74 -1.26 -0.48 119.66 127.82 3gft s GLN 43 Ca -0.06 0.17 0.01 0.00 0.05 0.00 0.00 55.36 55.53 3gft s GLN 43 Cb -0.06 -3.53 -0.04 0.00 1.10 0.00 0.00 33.01 30.47 3gft s GLN 43 CO -0.06 -0.03 -0.06 0.14 -0.55 0.00 0.00 175.29 174.74 3gft s VAL 44 N 1.27 0.63 -0.26 1.34 -7.23 -0.66 -4.99 120.40 110.52 3gft s VAL 44 Ca 0.18 -1.93 -0.07 0.00 -1.81 0.00 0.00 61.98 58.36 3gft s VAL 44 Cb -0.15 -1.70 -0.02 0.00 0.56 0.00 0.00 36.38 35.07 3gft s VAL 44 CO 0.08 -0.85 0.06 -0.69 -0.31 0.00 0.00 175.10 173.38 3gft s VAL 45 N -3.66 4.12 -0.16 1.32 1.01 -1.26 -0.30 120.40 121.46 3gft s VAL 45 Ca 0.12 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3gft s VAL 45 Cb 0.06 -2.97 0.02 0.00 0.00 0.00 0.00 36.38 33.48 3gft s VAL 45 CO -0.05 0.29 -0.19 -0.63 0.00 0.00 0.00 175.10 174.52 3gft s ILE 46 N 1.57 1.94 -1.44 2.22 1.01 -0.45 -4.70 121.20 121.36 3gft s ILE 46 Ca 0.05 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 59.74 3gft s ILE 46 Cb -0.15 -1.76 0.05 0.00 0.01 0.00 0.00 42.46 40.61 3gft s ILE 46 CO 0.03 0.52 0.68 0.47 0.00 0.00 0.00 174.94 176.64 3gft n ASP 47 N 4.53 -4.95 0.00 3.58 8.00 -1.26 -1.08 116.55 125.38 3gft n ASP 47 Ca -0.20 -0.45 0.00 0.00 0.71 0.00 0.00 54.79 54.85 3gft n ASP 47 Cb 0.50 -4.01 0.00 0.00 -0.02 0.00 0.00 41.12 37.60 3gft n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gft n GLY 48 N -1.46 0.98 3.39 0.44 0.00 -1.26 -5.00 105.19 102.28 3gft n GLY 48 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 3gft n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gft s GLU 49 N -0.30 3.24 0.14 1.61 2.12 -0.24 -5.08 118.70 120.20 3gft s GLU 49 Ca 0.00 -0.76 -0.31 0.00 0.36 0.00 0.00 54.97 54.25 3gft s GLU 49 Cb 0.00 -3.43 -0.09 0.00 0.26 0.00 0.00 34.13 30.87 3gft s GLU 49 CO 0.00 -0.40 1.49 0.99 -0.54 0.00 0.00 175.26 176.79 3gft s THR 50 N 1.55 2.96 0.04 -1.70 2.01 -1.26 -1.33 115.64 117.91 3gft s THR 50 Ca 0.04 0.68 -0.02 0.00 0.31 0.00 0.00 61.69 62.70 3gft s THR 50 Cb -0.17 -3.43 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 3gft s THR 50 CO 0.04 0.05 -0.00 0.00 -0.69 0.00 0.00 174.62 174.02 3gft s LEU 52 N -2.41 4.03 -0.26 0.00 2.96 0.13 -1.65 118.68 121.48 3gft s LEU 52 Ca -0.01 -0.45 -0.17 0.00 -0.22 0.00 0.00 54.13 53.28 3gft s LEU 52 Cb 0.02 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 3gft s LEU 52 CO -0.07 -0.17 0.45 -0.76 -1.32 0.00 0.00 176.35 174.49 3gft s LEU 53 N 1.62 4.05 -0.33 -0.68 1.43 0.37 -0.26 118.68 124.89 3gft s LEU 53 Ca 0.05 0.42 -0.08 0.00 -1.03 0.00 0.00 54.13 53.50 3gft s LEU 53 Cb -0.17 -2.56 0.02 0.00 0.03 0.00 0.00 46.19 43.52 3gft s LEU 53 CO 0.06 -0.23 0.12 -1.81 0.23 0.00 0.00 176.35 174.71 3gft s ASP 54 N 1.56 5.33 -0.28 2.29 1.11 0.23 -1.57 116.67 125.35 3gft s ASP 54 Ca 0.18 -0.90 -0.03 0.00 0.18 0.00 0.00 52.55 51.98 3gft s ASP 54 Cb -0.16 -1.91 0.03 0.00 1.07 0.00 0.00 42.92 41.95 3gft s ASP 54 CO 0.09 -0.27 0.00 -0.63 1.18 0.00 0.00 175.17 175.54 3gft s ILE 55 N 1.48 3.28 -0.39 0.77 1.01 0.43 -0.14 121.20 127.64 3gft s ILE 55 Ca 0.01 -0.99 -0.18 0.00 0.00 0.00 0.00 60.65 59.49 3gft s ILE 55 Cb -0.18 -2.72 0.01 0.00 0.01 0.00 0.00 42.46 39.58 3gft s ILE 55 CO 0.04 0.09 0.51 -0.22 0.00 0.00 0.00 174.94 175.36 3gft s LEU 56 N 1.37 4.53 -0.32 2.97 2.96 0.71 -0.94 118.68 129.96 3gft s LEU 56 Ca -0.00 -0.29 -0.15 0.00 -0.22 0.00 0.00 54.13 53.47 3gft s LEU 56 Cb -0.17 -2.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.95 3gft s LEU 56 CO -0.01 -0.57 0.35 -0.62 -1.32 0.00 0.00 176.35 174.18 3gft s ASP 57 N 1.83 6.18 0.43 3.68 2.15 -0.08 -1.07 116.67 129.79 3gft s ASP 57 Ca 0.17 -0.11 0.08 0.00 0.43 0.00 0.00 52.55 53.12 3gft s ASP 57 Cb -0.16 -2.19 0.01 0.00 -0.30 0.00 0.00 42.92 40.28 3gft s ASP 57 CO 0.15 -0.29 0.56 0.42 -0.17 0.00 0.00 175.17 175.84 3gft s THR 58 N 2.02 2.94 -0.19 1.71 -4.23 -0.98 -3.51 115.64 113.40 3gft s THR 58 Ca 0.12 -1.03 -0.24 0.00 -1.18 0.00 0.00 61.69 59.36 3gft s THR 58 Cb -0.16 -2.96 -0.21 0.00 1.34 0.00 0.00 72.50 70.50 3gft s THR 58 CO 0.11 0.00 0.40 0.00 -0.54 0.00 0.00 174.62 174.60 3gft h ALA 59 N 0.65 0.17 0.00 3.99 0.00 -1.91 -3.47 119.26 118.70 3gft h ALA 59 Ca -0.40 -0.97 -0.06 0.00 0.00 0.00 0.00 54.91 53.48 3gft h ALA 59 Cb 1.28 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 3gft h ALA 59 CO 0.46 0.46 -1.24 -0.25 0.00 0.00 0.00 179.25 178.67 3gft n ASP 69 N -4.49 4.05 -0.09 0.00 9.92 -1.26 -4.83 116.55 119.85 3gft n ASP 69 Ca -0.24 -0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 53.90 3gft n ASP 69 Cb 0.61 0.47 -0.04 0.00 -0.64 0.00 0.00 41.12 41.53 3gft n ASP 69 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 3gft h GLN 70 N 0.00 0.47 0.00 -1.24 4.20 -2.04 -2.86 115.11 113.63 3gft h GLN 70 Ca -0.10 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.46 3gft h GLN 70 Cb 1.21 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.94 3gft h GLN 70 CO 0.00 0.63 0.00 0.10 -0.67 0.00 0.00 178.83 178.89 3gft h TYR 71 N 0.25 0.00 -0.01 2.96 -0.00 -2.02 -1.82 116.97 116.33 3gft h TYR 71 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 58.73 58.65 3gft h TYR 71 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.13 3gft h TYR 71 CO 0.04 0.00 -0.71 1.98 -0.00 0.00 0.00 178.16 179.46 3gft h MET 72 N 0.00 0.03 0.00 0.10 4.05 -1.91 -2.58 114.93 114.63 3gft h MET 72 Ca 0.00 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.29 3gft h MET 72 Cb 0.71 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.50 3gft h MET 72 CO 0.00 0.73 -0.58 -0.09 0.23 0.00 0.00 176.91 177.20 3gft h ARG 73 N 0.02 0.00 0.00 0.39 2.43 -1.12 -3.30 114.38 112.81 3gft h ARG 73 Ca -0.01 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.98 3gft h ARG 73 Cb 1.26 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.78 3gft h ARG 73 CO 0.10 0.41 -1.48 0.25 -1.51 0.00 0.00 179.97 177.74 3gft n THR 74 N -3.15 1.23 -2.26 0.20 -2.24 -1.05 -4.91 114.28 102.10 3gft n THR 74 Ca 0.01 -0.71 -0.41 0.00 -2.27 0.00 0.00 64.05 60.67 3gft n THR 74 Cb 0.72 -0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 68.16 3gft n THR 74 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3gft s GLY 75 N -4.84 2.75 -0.04 3.38 0.00 -0.98 -4.88 107.32 102.71 3gft s GLY 75 Ca -0.03 1.09 0.17 0.00 0.00 0.00 0.00 44.72 45.94 3gft s GLY 75 CO 0.81 1.89 0.57 1.18 0.00 0.00 0.00 173.10 177.55 3gft n GLU 76 N 1.85 0.64 -3.68 2.90 1.02 0.24 -4.97 120.64 118.64 3gft n GLU 76 Ca 0.03 0.15 -0.13 0.00 -0.02 0.00 0.00 57.16 57.19 3gft n GLU 76 Cb 0.43 -1.71 -0.07 0.00 -0.02 0.00 0.00 31.44 30.08 3gft n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3gft s GLY 77 N -5.02 -0.25 -0.06 0.62 0.00 -1.06 -4.23 107.32 97.33 3gft s GLY 77 Ca -0.06 0.27 0.01 0.00 0.00 0.00 0.00 44.72 44.95 3gft s GLY 77 CO 0.83 0.02 -0.07 -1.36 0.00 0.00 0.00 173.10 172.52 3gft s PHE 78 N -2.44 1.00 -0.26 1.90 0.08 -0.71 -0.70 117.98 116.85 3gft s PHE 78 Ca -0.06 -0.33 -0.21 0.00 0.12 0.00 0.00 56.93 56.45 3gft s PHE 78 Cb -0.01 -0.82 -0.01 0.00 -0.57 0.00 0.00 43.02 41.60 3gft s PHE 78 CO -0.02 -0.24 0.69 -0.51 -0.10 0.00 0.00 175.22 175.04 3gft s LEU 79 N 0.92 4.07 -0.41 -0.37 1.43 0.52 -1.71 118.68 123.13 3gft s LEU 79 Ca -0.11 0.78 -0.13 0.00 -1.03 0.00 0.00 54.13 53.64 3gft s LEU 79 Cb -0.15 -2.94 0.04 0.00 0.03 0.00 0.00 46.19 43.17 3gft s LEU 79 CO 0.01 -0.42 0.28 0.00 0.23 0.00 0.00 176.35 176.44 3gft s VAL 81 N 1.60 3.95 0.27 0.00 1.01 -0.25 -0.74 120.40 126.24 3gft s VAL 81 Ca 0.03 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.71 3gft s VAL 81 Cb -0.20 -2.72 -0.06 0.00 0.00 0.00 0.00 36.38 33.40 3gft s VAL 81 CO 0.07 0.51 0.02 0.72 0.00 0.00 0.00 175.10 176.42 3gft s PHE 82 N 0.19 1.77 -0.18 5.22 -0.12 0.58 -4.05 117.98 121.39 3gft s PHE 82 Ca -0.02 -0.91 -0.07 0.00 -0.05 0.00 0.00 56.93 55.88 3gft s PHE 82 Cb -0.14 -1.07 -0.04 0.00 -0.63 0.00 0.00 43.02 41.14 3gft s PHE 82 CO 0.03 0.01 0.05 0.00 -0.05 0.00 0.00 175.22 175.26 3gft s ALA 83 N -3.33 3.34 -0.57 1.99 0.00 -1.26 0.35 121.76 122.27 3gft s ALA 83 Ca 0.32 -0.77 0.17 0.00 0.00 0.00 0.00 51.96 51.68 3gft s ALA 83 Cb 0.07 -1.88 0.81 0.00 0.00 0.00 0.00 23.12 22.12 3gft s ALA 83 CO 0.12 0.15 1.53 0.44 0.00 0.00 0.00 175.76 178.00 3gft n ILE 84 N 3.60 1.13 -0.43 0.00 -6.64 0.28 -1.14 119.36 116.16 3gft n ILE 84 Ca -0.17 0.44 0.07 0.00 -1.77 0.00 0.00 62.75 61.33 3gft n ILE 84 Cb 0.52 -1.38 0.22 0.00 -1.44 0.00 0.00 39.64 37.57 3gft n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.77 0.00 0.00 176.55 174.32 3gft n ASN 85 N -1.99 3.52 -3.65 7.28 6.94 -1.26 -1.04 115.26 125.06 3gft n ASN 85 Ca 0.01 -2.27 -0.29 0.00 -0.02 0.00 0.00 54.58 52.01 3gft n ASN 85 Cb 0.12 -0.38 -0.13 0.00 -2.36 0.00 0.00 39.78 37.04 3gft n ASN 85 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3gft s ASN 86 N -1.17 3.43 0.30 0.53 3.84 -0.30 -4.72 114.94 116.86 3gft s ASN 86 Ca 0.34 -2.60 -0.00 0.00 0.21 0.00 0.00 52.86 50.81 3gft s ASN 86 Cb 0.21 -0.90 0.51 0.00 -0.55 0.00 0.00 41.25 40.52 3gft s ASN 86 CO 0.18 -0.26 1.92 0.74 -2.79 0.00 0.00 177.10 176.89 3gft h THR 87 N 5.14 1.10 -0.93 -5.21 2.02 -1.87 -1.71 112.91 111.45 3gft h THR 87 Ca 0.03 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3gft h THR 87 Cb 0.93 -0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.25 3gft h THR 87 CO 0.44 0.19 0.58 0.50 0.37 0.00 0.00 175.52 177.61 3gft h LYS 88 N 1.05 1.25 -0.06 6.66 3.64 -1.94 -1.03 116.57 126.14 3gft h LYS 88 Ca 0.37 -0.10 -0.13 0.00 -1.27 0.00 0.00 60.65 59.53 3gft h LYS 88 Cb 0.12 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 3gft h LYS 88 CO -0.13 0.86 -0.53 0.66 -2.27 0.00 0.00 179.45 178.04 3gft h SER 89 N 1.28 0.20 -0.38 4.20 4.64 -1.65 -1.40 113.55 120.44 3gft h SER 89 Ca 0.34 -0.10 -0.04 0.00 -0.47 0.00 0.00 61.79 61.52 3gft h SER 89 Cb -0.09 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 3gft h SER 89 CO -0.07 0.69 0.09 0.15 -0.87 0.00 0.00 176.83 176.83 3gft h PHE 90 N 0.14 0.63 0.00 4.77 3.57 -1.22 -3.09 116.94 121.74 3gft h PHE 90 Ca 0.00 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 3gft h PHE 90 Cb 0.98 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.54 3gft h PHE 90 CO 0.01 0.62 -0.04 0.93 -2.23 0.00 0.00 178.31 177.60 3gft h GLU 91 N 0.46 0.00 0.00 1.11 5.08 -0.54 -2.55 114.58 118.14 3gft h GLU 91 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3gft h GLU 91 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3gft h GLU 91 CO 0.00 0.04 -0.32 -0.44 -1.00 0.00 0.00 179.01 177.29 3gft h ASP 92 N 0.00 0.00 -1.00 1.42 3.32 -1.20 -3.38 116.42 115.58 3gft h ASP 92 Ca -0.00 -0.04 0.12 0.00 0.02 0.00 0.00 57.03 57.13 3gft h ASP 92 Cb 0.50 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.97 3gft h ASP 92 CO 0.01 0.02 0.63 0.40 -1.72 0.00 0.00 179.24 178.58 3gft h ILE 93 N 0.00 0.92 0.00 0.35 1.08 -1.40 -1.25 117.51 117.21 3gft h ILE 93 Ca 0.00 -0.34 -0.04 0.00 -0.39 0.00 0.00 64.86 64.09 3gft h ILE 93 Cb 0.89 -0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 34.48 3gft h ILE 93 CO 0.00 0.18 -0.17 1.12 -0.69 0.00 0.00 178.15 178.59 3gft h HIS 94 N 0.99 0.00 -0.26 1.37 2.07 -1.80 -1.80 115.15 115.73 3gft h HIS 94 Ca 0.50 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.82 3gft h HIS 94 Cb 0.49 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.47 3gft h HIS 94 CO -0.00 0.17 -0.59 0.45 -3.07 0.00 0.00 177.93 174.89 3gft h HIS 95 N 0.00 1.09 -0.15 6.12 3.86 -1.52 -1.24 115.15 123.31 3gft h HIS 95 Ca -0.00 -0.41 -0.02 0.00 -1.16 0.00 0.00 60.37 58.78 3gft h HIS 95 Cb 0.47 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 3gft h HIS 95 CO 0.00 1.24 0.03 1.88 0.86 0.00 0.00 177.93 181.94 3gft h TYR 96 N 0.63 0.27 -0.47 2.45 0.05 -1.33 -1.69 116.97 116.87 3gft h TYR 96 Ca -0.00 -0.04 0.03 0.00 0.05 0.00 0.00 58.73 58.77 3gft h TYR 96 Cb 1.20 -0.07 -0.04 0.00 1.01 0.00 0.00 36.73 38.83 3gft h TYR 96 CO 0.08 0.41 0.26 -0.09 -1.05 0.00 0.00 178.16 177.77 3gft h ARG 97 N 0.05 0.51 -0.63 4.88 2.43 -1.31 -0.99 114.38 119.32 3gft h ARG 97 Ca 0.05 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 3gft h ARG 97 Cb 0.29 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 3gft h ARG 97 CO 0.00 0.34 0.10 0.93 -1.51 0.00 0.00 179.97 179.83 3gft h GLU 98 N 0.52 1.03 0.11 0.20 4.39 -1.16 -1.26 114.58 118.41 3gft h GLU 98 Ca 0.20 -0.26 0.02 0.00 0.34 0.00 0.00 59.36 59.65 3gft h GLU 98 Cb 0.06 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 3gft h GLU 98 CO -0.11 0.95 -0.24 0.37 -1.16 0.00 0.00 179.01 178.81 3gft h GLN 99 N 0.97 -0.42 -0.18 2.33 4.15 -1.03 0.15 115.11 121.07 3gft h GLN 99 Ca 0.19 0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.67 3gft h GLN 99 Cb 0.42 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.18 3gft h GLN 99 CO 0.01 -0.28 0.01 0.82 -1.93 0.00 0.00 178.83 177.46 3gft h ILE 100 N -0.44 0.89 0.00 2.39 2.04 -0.71 -2.79 117.51 118.89 3gft h ILE 100 Ca 0.03 -0.03 -0.06 0.00 1.00 0.00 0.00 64.86 65.81 3gft h ILE 100 Cb 0.47 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3gft h ILE 100 CO -0.15 0.01 -0.27 0.11 0.00 0.00 0.00 178.15 177.86 3gft h LYS 101 N 0.07 0.00 -0.06 2.37 1.57 -0.99 -1.12 116.57 118.41 3gft h LYS 101 Ca 0.08 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3gft h LYS 101 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 3gft h LYS 101 CO -0.13 0.27 -0.09 -0.09 -0.57 0.00 0.00 179.45 178.84 3gft h ARG 102 N 0.00 0.17 0.26 3.15 2.43 -0.72 -2.64 114.38 117.04 3gft h ARG 102 Ca -0.00 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 3gft h ARG 102 Cb 0.53 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 3gft h ARG 102 CO 0.04 0.65 -0.13 0.28 -1.51 0.00 0.00 179.97 179.30 3gft h VAL 103 N -0.30 0.00 -0.24 0.20 2.07 -1.34 -3.24 116.25 113.40 3gft h VAL 103 Ca 0.01 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.53 3gft h VAL 103 Cb 0.63 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3gft h VAL 103 CO 0.02 0.00 0.49 0.11 0.02 0.00 0.00 177.57 178.21 3gft h LYS 104 N -0.42 0.00 -0.19 1.57 1.79 -1.33 -3.44 116.57 114.56 3gft h LYS 104 Ca -0.04 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.35 3gft h LYS 104 Cb 0.27 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.89 3gft h LYS 104 CO 0.06 0.00 -0.07 -3.47 -1.08 0.00 0.00 179.45 174.89 3gft n ASP 105 N -3.23 -3.58 -4.25 0.86 -0.08 -1.01 -5.00 116.55 100.26 3gft n ASP 105 Ca 0.04 0.10 -0.17 0.00 -1.51 0.00 0.00 54.79 53.25 3gft n ASP 105 Cb 0.61 -1.43 -0.11 0.00 2.34 0.00 0.00 41.12 42.53 3gft n ASP 105 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 3gft s SER 106 N -2.81 2.01 0.00 1.67 0.15 -1.12 -4.99 113.70 108.60 3gft s SER 106 Ca 0.00 -0.88 0.19 0.00 0.70 0.00 0.00 55.95 55.95 3gft s SER 106 Cb 0.00 -0.06 0.20 0.00 -1.71 0.00 0.00 66.02 64.44 3gft s SER 106 CO 0.00 -0.19 1.14 1.21 1.20 0.00 0.00 173.24 176.59 3gft n GLU 107 N 0.24 1.75 -3.56 5.44 2.13 -1.26 -4.48 120.64 120.90 3gft n GLU 107 Ca -0.13 -1.72 -0.27 0.00 0.66 0.00 0.00 57.16 55.70 3gft n GLU 107 Cb 0.58 -1.37 -0.10 0.00 0.27 0.00 0.00 31.44 30.83 3gft n GLU 107 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 3gft n ASP 108 N 1.07 2.46 -4.29 4.31 2.03 -1.26 -5.05 116.55 115.81 3gft n ASP 108 Ca 0.12 -3.12 -0.33 0.00 0.52 0.00 0.00 54.79 51.98 3gft n ASP 108 Cb 0.48 -0.68 -0.15 0.00 -0.72 0.00 0.00 41.12 40.05 3gft n ASP 108 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3gft s VAL 109 N -1.61 2.86 0.17 5.18 1.01 -1.26 -5.09 120.40 121.65 3gft s VAL 109 Ca 0.33 -0.70 -0.33 0.00 0.00 0.00 0.00 61.98 61.27 3gft s VAL 109 Cb 0.07 -2.22 -0.13 0.00 0.00 0.00 0.00 36.38 34.09 3gft s VAL 109 CO -0.11 0.50 1.63 -2.65 0.00 0.00 0.00 175.10 174.48 3gft n PRO 110 N 4.06 2.35 -3.55 2.72 -0.02 -1.26 -4.97 135.00 134.33 3gft n PRO 110 Ca -0.19 0.85 -0.16 0.00 -2.02 0.00 0.00 63.50 61.98 3gft n PRO 110 Cb 0.52 -2.65 -0.06 0.00 -0.02 0.00 0.00 33.50 31.29 3gft n PRO 110 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3gft s MET 111 N 1.10 1.03 -0.01 -0.52 -1.94 -1.26 -1.74 119.30 115.95 3gft s MET 111 Ca 0.78 0.04 0.02 0.00 -1.71 0.00 0.00 55.69 54.82 3gft s MET 111 Cb -0.62 0.48 0.00 0.00 2.01 0.00 0.00 34.83 36.70 3gft s MET 111 CO 0.36 -0.34 -0.05 0.08 -0.01 0.00 0.00 175.02 175.06 3gft s VAL 112 N -1.68 0.44 -0.16 -6.03 1.01 -0.69 -4.25 120.40 109.05 3gft s VAL 112 Ca -0.09 -0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.48 3gft s VAL 112 Cb -0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 3gft s VAL 112 CO 0.05 0.14 0.60 -0.22 0.00 0.00 0.00 175.10 175.67 3gft s LEU 113 N 0.09 4.20 -0.17 3.92 2.96 0.50 -1.30 118.68 128.87 3gft s LEU 113 Ca -0.01 0.87 0.01 0.00 -0.22 0.00 0.00 54.13 54.79 3gft s LEU 113 Cb -0.05 -2.86 0.02 0.00 0.50 0.00 0.00 46.19 43.80 3gft s LEU 113 CO -0.00 -0.18 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.96 3gft s VAL 114 N 1.44 2.13 -0.62 1.68 1.01 0.08 -1.11 120.40 125.02 3gft s VAL 114 Ca 0.29 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 3gft s VAL 114 Cb -0.16 -1.88 0.15 0.00 0.00 0.00 0.00 36.38 34.49 3gft s VAL 114 CO 0.12 0.54 0.56 -0.83 0.00 0.00 0.00 175.10 175.48 3gft s GLY 115 N 1.14 2.26 0.60 4.51 0.00 -0.27 -0.31 107.32 115.26 3gft s GLY 115 Ca 0.01 -2.78 -0.05 0.00 0.00 0.00 0.00 44.72 41.91 3gft s GLY 115 CO -0.09 1.20 0.90 0.21 0.00 0.00 0.00 173.10 175.32 3gft s ASN 116 N 3.01 5.35 -1.10 1.64 2.47 0.15 -0.42 114.94 126.04 3gft s ASN 116 Ca 0.08 0.50 -0.04 0.00 0.42 0.00 0.00 52.86 53.82 3gft s ASN 116 Cb -0.24 -1.41 0.00 0.00 -1.45 0.00 0.00 41.25 38.16 3gft s ASN 116 CO -0.01 -1.19 0.50 0.29 -3.72 0.00 0.00 177.10 172.97 3gft n LYS 117 N -2.60 -3.88 0.09 0.43 5.02 -0.93 -0.56 118.16 115.72 3gft n LYS 117 Ca 0.06 0.65 0.09 0.00 -2.02 0.00 0.00 58.31 57.08 3gft n LYS 117 Cb 0.59 -4.98 0.40 0.00 -0.02 0.00 0.00 35.03 31.02 3gft n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gft h ASP 119 N 0.00 0.00 -3.74 0.00 2.03 -1.91 -3.46 116.42 109.34 3gft h ASP 119 Ca 0.00 0.00 -0.50 0.00 -0.73 0.00 0.00 57.03 55.80 3gft h ASP 119 Cb 0.22 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.71 3gft h ASP 119 CO 0.00 0.34 0.38 -0.76 -1.03 0.00 0.00 179.24 178.17 3gft s LEU 120 N -6.87 4.62 -0.09 0.15 1.43 -0.75 -4.95 118.68 112.22 3gft s LEU 120 Ca 0.01 2.01 0.07 0.00 -1.03 0.00 0.00 54.13 55.19 3gft s LEU 120 Cb 0.10 -3.61 0.38 0.00 0.03 0.00 0.00 46.19 43.09 3gft s LEU 120 CO 0.68 0.08 1.13 -0.81 0.23 0.00 0.00 176.35 177.65 3gft n PRO 121 N 1.54 2.67 -1.72 1.29 -0.04 -1.26 -4.37 135.00 133.09 3gft n PRO 121 Ca -0.01 -1.46 -0.33 0.00 -0.04 0.00 0.00 63.50 61.66 3gft n PRO 121 Cb 0.47 -1.76 0.05 0.00 -0.04 0.00 0.00 33.50 32.22 3gft n PRO 121 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3gft n SER 122 N 0.34 6.76 -4.73 3.54 3.41 -1.26 -5.03 113.62 116.64 3gft n SER 122 Ca 0.13 -3.78 -0.42 0.00 -0.26 0.00 0.00 58.87 54.54 3gft n SER 122 Cb 0.63 -0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 63.75 3gft n SER 122 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3gft s ARG 123 N -3.80 4.31 0.00 4.33 3.52 -1.26 -4.38 118.95 121.67 3gft s ARG 123 Ca 0.57 2.18 0.00 0.00 -0.13 0.00 0.00 55.73 58.35 3gft s ARG 123 Cb 0.46 -3.17 0.00 0.00 -1.56 0.00 0.00 34.95 30.68 3gft s ARG 123 CO -0.10 -0.39 0.00 0.25 -0.81 0.00 0.00 175.30 174.25 3gft n THR 124 N 2.96 0.00 -3.93 4.11 -2.24 -0.20 -4.95 114.28 110.02 3gft n THR 124 Ca 0.08 -0.30 -0.35 0.00 -2.27 0.00 0.00 64.05 61.21 3gft n THR 124 Cb 0.41 0.97 -0.14 0.00 -2.10 0.00 0.00 70.33 69.47 3gft n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gft s VAL 125 N -0.66 3.17 0.33 2.28 1.01 -0.64 -4.88 120.40 121.01 3gft s VAL 125 Ca 0.00 -0.63 -0.23 0.00 0.00 0.00 0.00 61.98 61.11 3gft s VAL 125 Cb 0.00 -2.46 -0.10 0.00 0.00 0.00 0.00 36.38 33.82 3gft s VAL 125 CO 0.00 0.39 0.90 -1.81 0.00 0.00 0.00 175.10 174.58 3gft s ASP 126 N 1.44 7.17 0.28 3.32 1.11 -1.26 -4.93 116.67 123.80 3gft s ASP 126 Ca 0.05 1.71 0.02 0.00 0.18 0.00 0.00 52.55 54.51 3gft s ASP 126 Cb -0.15 -2.53 0.61 0.00 1.07 0.00 0.00 42.92 41.92 3gft s ASP 126 CO -0.04 -0.13 1.78 0.74 1.18 0.00 0.00 175.17 178.70 3gft h THR 127 N 2.43 0.76 -0.53 -1.27 2.02 -1.99 -2.32 112.91 112.02 3gft h THR 127 Ca -0.47 -0.26 -0.12 0.00 0.77 0.00 0.00 66.41 66.32 3gft h THR 127 Cb 1.19 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3gft h THR 127 CO 0.64 0.14 -0.14 0.50 0.37 0.00 0.00 175.52 177.02 3gft h LYS 128 N 0.76 1.03 -0.26 6.66 1.63 -1.99 0.81 116.57 125.21 3gft h LYS 128 Ca 0.51 -0.40 -0.08 0.00 -0.85 0.00 0.00 60.65 59.84 3gft h LYS 128 Cb 0.71 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.27 3gft h LYS 128 CO -0.35 1.09 -0.18 1.96 -3.45 0.00 0.00 179.45 178.52 3gft h GLN 129 N 0.90 0.45 0.01 1.90 4.20 -1.83 -0.34 115.11 120.39 3gft h GLN 129 Ca 0.13 -0.14 -0.22 0.00 0.06 0.00 0.00 58.65 58.48 3gft h GLN 129 Cb 0.72 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.46 3gft h GLN 129 CO 0.06 0.61 -0.95 0.00 -0.67 0.00 0.00 178.83 177.88 3gft h ALA 130 N 1.41 0.37 -0.53 3.87 0.00 -0.91 -2.06 119.26 121.40 3gft h ALA 130 Ca 0.07 -0.72 -0.09 0.00 0.00 0.00 0.00 54.91 54.17 3gft h ALA 130 Cb 0.55 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3gft h ALA 130 CO 0.04 0.84 -0.02 1.96 0.00 0.00 0.00 179.25 182.06 3gft h GLN 131 N 0.21 0.92 -0.46 0.00 4.20 -0.54 -1.72 115.11 117.72 3gft h GLN 131 Ca -0.08 -0.28 -0.07 0.00 0.06 0.00 0.00 58.65 58.29 3gft h GLN 131 Cb 1.58 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 29.26 3gft h GLN 131 CO 0.16 0.93 0.02 -0.44 -0.67 0.00 0.00 178.83 178.83 3gft h ASP 132 N 0.85 0.77 -0.41 1.46 3.32 -1.01 0.91 116.42 122.31 3gft h ASP 132 Ca 0.15 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 3gft h ASP 132 Cb 0.53 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3gft h ASP 132 CO 0.03 0.87 0.22 0.25 -1.72 0.00 0.00 179.24 178.89 3gft h LEU 133 N 0.64 0.51 -0.12 1.55 5.85 -1.19 -1.11 115.31 121.45 3gft h LEU 133 Ca 0.13 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3gft h LEU 133 Cb 0.46 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3gft h LEU 133 CO 0.02 0.46 0.01 0.00 -0.34 0.00 0.00 178.44 178.59 3gft h ALA 134 N 1.07 0.11 -0.98 1.25 0.00 -1.11 -2.30 119.26 117.30 3gft h ALA 134 Ca 0.14 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.18 3gft h ALA 134 Cb 0.07 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.82 3gft h ALA 134 CO -0.02 -0.45 0.63 -0.09 0.00 0.00 0.00 179.25 179.32 3gft h ARG 135 N 0.05 0.98 0.00 0.00 2.43 -0.67 0.02 114.38 117.20 3gft h ARG 135 Ca 0.05 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3gft h ARG 135 Cb 0.05 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 3gft h ARG 135 CO -0.08 0.65 0.00 0.66 -1.51 0.00 0.00 179.97 179.69 3gft h SER 136 N 1.01 0.00 0.00 -3.80 4.64 -0.63 -2.21 113.55 112.57 3gft h SER 136 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3gft h SER 136 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3gft h SER 136 CO -0.22 0.00 -1.22 -1.22 -0.87 0.00 0.00 176.83 173.30 3gft n TYR 137 N -2.56 0.00 -2.29 4.77 4.01 -0.16 -4.99 117.16 115.94 3gft n TYR 137 Ca 0.02 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.68 3gft n TYR 137 Cb 0.27 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 3gft n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gft n GLY 138 N 1.43 0.12 3.38 2.72 0.00 -0.29 -5.06 105.19 107.50 3gft n GLY 138 Ca 0.01 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 3gft n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gft s ILE 139 N -2.52 2.01 0.54 -0.61 -4.36 -0.75 -5.02 121.20 110.49 3gft s ILE 139 Ca 0.04 -2.18 -0.19 0.00 -0.26 0.00 0.00 60.65 58.07 3gft s ILE 139 Cb -0.02 -2.07 -0.06 0.00 1.25 0.00 0.00 42.46 41.57 3gft s ILE 139 CO 0.05 -0.43 1.09 -2.84 0.24 0.00 0.00 174.94 173.04 3gft s PRO 140 N -3.31 3.44 -0.09 0.37 0.02 -1.26 -4.18 135.00 129.99 3gft s PRO 140 Ca 0.23 1.46 0.03 0.00 0.02 0.00 0.00 61.00 62.73 3gft s PRO 140 Cb -0.04 -2.03 -0.02 0.00 0.02 0.00 0.00 34.50 32.43 3gft s PRO 140 CO 0.09 -0.75 -0.17 0.12 -0.33 0.00 0.00 177.00 175.97 3gft s PHE 141 N -1.98 2.69 -0.02 6.54 5.36 -1.26 -0.37 117.98 128.93 3gft s PHE 141 Ca 0.69 -0.54 0.01 0.00 -0.96 0.00 0.00 56.93 56.13 3gft s PHE 141 Cb -0.20 -1.72 0.02 0.00 -0.34 0.00 0.00 43.02 40.78 3gft s PHE 141 CO 0.27 -0.11 -0.02 0.42 -1.46 0.00 0.00 175.22 174.33 3gft s ILE 142 N -0.08 0.25 -0.14 3.12 -1.09 -0.26 -4.98 121.20 118.03 3gft s ILE 142 Ca -0.03 -0.01 -0.25 0.00 -2.23 0.00 0.00 60.65 58.13 3gft s ILE 142 Cb -0.14 -0.31 -0.02 0.00 -1.58 0.00 0.00 42.46 40.41 3gft s ILE 142 CO 0.04 0.14 0.80 -1.61 -1.23 0.00 0.00 174.94 173.08 3gft s GLU 143 N 0.72 4.34 0.27 2.79 2.02 -1.26 -1.11 118.70 126.47 3gft s GLU 143 Ca -0.08 1.00 0.10 0.00 0.02 0.00 0.00 54.97 56.01 3gft s GLU 143 Cb -0.11 -3.54 -0.05 0.00 0.10 0.00 0.00 34.13 30.53 3gft s GLU 143 CO -0.01 -0.22 -0.15 0.95 0.02 0.00 0.00 175.26 175.85 3gft s THR 144 N 1.77 2.18 -0.09 3.63 -4.23 0.44 -4.25 115.64 115.08 3gft s THR 144 Ca 0.39 -2.30 -0.03 0.00 -1.18 0.00 0.00 61.69 58.56 3gft s THR 144 Cb -0.17 -2.32 0.05 0.00 1.34 0.00 0.00 72.50 71.40 3gft s THR 144 CO 0.15 -0.40 0.17 -0.55 -0.54 0.00 0.00 174.62 173.45 3gft s SER 145 N -3.47 0.67 0.00 3.99 0.15 0.63 -1.71 113.70 113.96 3gft s SER 145 Ca 0.29 0.36 0.17 0.00 0.70 0.00 0.00 55.95 57.47 3gft s SER 145 Cb -0.02 0.32 0.76 0.00 -1.71 0.00 0.00 66.02 65.37 3gft s SER 145 CO 0.13 -0.24 1.54 0.00 1.20 0.00 0.00 173.24 175.87 3gft n ALA 146 N 5.28 1.82 -0.11 5.45 0.00 -1.26 -0.86 120.51 130.82 3gft n ALA 146 Ca -0.06 -0.06 -0.23 0.00 0.00 0.00 0.00 53.44 53.09 3gft n ALA 146 Cb 0.50 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.57 3gft n ALA 146 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3gft n LYS 147 N -1.46 0.56 0.01 0.00 4.81 -1.26 -4.43 118.16 116.40 3gft n LYS 147 Ca 0.05 0.44 0.12 0.00 -0.87 0.00 0.00 58.31 58.05 3gft n LYS 147 Cb 0.19 -1.63 0.22 0.00 0.02 0.00 0.00 35.03 33.82 3gft n LYS 147 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3gft n THR 148 N -4.38 0.08 -0.99 3.15 -2.24 -1.22 -4.94 114.28 103.74 3gft n THR 148 Ca -0.38 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 3gft n THR 148 Cb 0.73 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 3gft n THR 148 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3gft n ARG 149 N -1.65 -0.01 -1.68 -0.78 0.63 -0.04 -4.99 116.66 108.14 3gft n ARG 149 Ca 0.05 0.00 -0.45 0.00 -0.92 0.00 0.00 57.85 56.54 3gft n ARG 149 Cb 0.36 -2.66 -0.04 0.00 0.45 0.00 0.00 32.46 30.58 3gft n ARG 149 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 3gft n GLN 150 N -2.19 2.57 -0.93 -0.14 7.27 -1.14 -2.65 117.38 120.16 3gft n GLN 150 Ca 0.00 0.94 0.00 0.00 0.07 0.00 0.00 57.00 58.01 3gft n GLN 150 Cb 0.00 -2.83 0.00 0.00 2.41 0.00 0.00 30.24 29.82 3gft n GLN 150 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3gft n GLY 151 N 4.34 0.60 0.10 1.69 0.00 -1.26 -0.27 105.19 110.39 3gft n GLY 151 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 3gft n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gft h VAL 152 N 0.00 1.07 -0.33 1.61 2.07 -1.80 0.11 116.25 118.98 3gft h VAL 152 Ca 0.00 -0.75 -0.17 0.00 0.82 0.00 0.00 66.70 66.60 3gft h VAL 152 Cb 0.10 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3gft h VAL 152 CO 0.00 0.18 -0.48 0.44 0.02 0.00 0.00 177.57 177.73 3gft h ASP 153 N -0.50 0.99 -0.64 0.57 3.32 -1.91 -3.08 116.42 115.17 3gft h ASP 153 Ca -0.02 -0.50 0.07 0.00 0.02 0.00 0.00 57.03 56.61 3gft h ASP 153 Cb 0.41 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 3gft h ASP 153 CO 0.03 1.30 0.32 -0.78 -1.72 0.00 0.00 179.24 178.38 3gft h ASP 154 N 0.71 0.44 -0.54 6.45 3.58 -1.91 0.36 116.42 125.51 3gft h ASP 154 Ca 0.03 0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.54 3gft h ASP 154 Cb 1.08 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 42.07 3gft h ASP 154 CO 0.11 0.28 0.36 0.00 -2.88 0.00 0.00 179.24 177.11 3gft h ALA 155 N 1.36 0.69 -0.05 -0.78 0.00 -0.70 0.22 119.26 120.00 3gft h ALA 155 Ca 0.30 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.98 3gft h ALA 155 Cb 0.25 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.84 3gft h ALA 155 CO -0.22 0.12 -0.72 0.74 0.00 0.00 0.00 179.25 179.17 3gft h PHE 156 N 0.73 0.82 -0.49 0.00 0.04 -1.28 -2.21 116.94 114.54 3gft h PHE 156 Ca 0.20 -0.41 -0.06 0.00 2.80 0.00 0.00 57.97 60.49 3gft h PHE 156 Cb -0.07 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 37.95 3gft h PHE 156 CO -0.04 1.23 0.05 1.88 -0.60 0.00 0.00 178.31 180.83 3gft h TYR 157 N 0.18 0.89 -0.47 -0.55 -1.99 -0.25 -2.21 116.97 112.56 3gft h TYR 157 Ca -0.08 -0.13 -0.02 0.00 2.00 0.00 0.00 58.73 60.50 3gft h TYR 157 Cb 1.39 -0.24 -0.02 0.00 2.00 0.00 0.00 36.73 39.86 3gft h TYR 157 CO 0.12 0.82 0.22 1.15 -0.00 0.00 0.00 178.16 180.47 3gft h THR 158 N 0.69 1.19 -0.79 -2.88 2.02 -0.98 -1.17 112.91 111.00 3gft h THR 158 Ca 0.14 -0.56 0.07 0.00 0.77 0.00 0.00 66.41 66.83 3gft h THR 158 Cb 0.44 0.69 -0.06 0.00 -1.74 0.00 0.00 68.15 67.48 3gft h THR 158 CO 0.01 0.21 0.47 0.25 0.37 0.00 0.00 175.52 176.84 3gft h LEU 159 N 0.62 0.71 -0.82 2.58 5.85 -1.22 -0.39 115.31 122.65 3gft h LEU 159 Ca 0.16 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 3gft h LEU 159 Cb 0.14 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 3gft h LEU 159 CO -0.02 0.45 0.51 0.58 -0.34 0.00 0.00 178.44 179.62 3gft h VAL 160 N 0.84 1.22 -0.26 1.05 2.07 -0.85 -0.13 116.25 120.19 3gft h VAL 160 Ca 0.35 -0.46 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 3gft h VAL 160 Cb 0.21 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 3gft h VAL 160 CO -0.19 0.23 -0.15 0.03 0.02 0.00 0.00 177.57 177.51 3gft h ARG 161 N 1.11 0.45 -0.53 1.57 3.08 -0.50 -1.02 114.38 118.54 3gft h ARG 161 Ca 0.29 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 60.11 3gft h ARG 161 Cb -0.07 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 3gft h ARG 161 CO -0.06 0.60 -0.06 0.93 -1.07 0.00 0.00 179.97 180.31 3gft h GLU 162 N 0.42 0.98 -0.23 0.04 4.39 -0.30 -2.30 114.58 117.59 3gft h GLU 162 Ca 0.08 -0.34 -0.09 0.00 0.34 0.00 0.00 59.36 59.34 3gft h GLU 162 Cb 0.51 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 3gft h GLU 162 CO 0.03 1.02 -0.24 0.82 -1.16 0.00 0.00 179.01 179.47 3gft h ILE 163 N 0.85 1.26 -0.37 3.13 2.04 -0.47 -3.01 117.51 120.94 3gft h ILE 163 Ca 0.14 -1.22 -0.13 0.00 1.00 0.00 0.00 64.86 64.65 3gft h ILE 163 Cb 0.61 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 3gft h ILE 163 CO 0.04 0.39 -0.29 0.03 0.00 0.00 0.00 178.15 178.31 3gft h ARG 164 N 0.39 0.85 0.00 2.37 3.08 -1.04 -2.69 114.38 117.34 3gft h ARG 164 Ca 0.06 -0.42 -0.02 0.00 0.07 0.00 0.00 59.98 59.67 3gft h ARG 164 Cb 0.64 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 3gft h ARG 164 CO 0.05 1.06 -0.07 0.87 -1.07 0.00 0.00 179.97 180.80 3gft h LYS 165 N 0.65 0.00 0.02 0.04 1.57 -1.29 -2.84 116.57 114.72 3gft h LYS 165 Ca 0.07 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.54 3gft h LYS 165 Cb 0.87 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.13 3gft h LYS 165 CO 0.08 0.07 -1.77 1.58 -0.57 0.00 0.00 179.45 178.84 3gft n HIS 166 N -3.72 0.99 0.22 -1.35 -0.00 -1.09 -5.12 115.22 105.15 3gft n HIS 166 Ca -0.02 0.34 0.03 0.00 0.46 0.00 0.00 57.72 58.52 3gft n HIS 166 Cb 0.18 -1.18 0.02 0.00 -0.12 0.00 0.00 29.99 28.89 3gft n HIS 166 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16