#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gft s PHE -2 N 0.00 2.39 -0.47 -0.72 5.36 -1.26 -4.88 117.98 118.40 3gft s PHE -2 Ca 0.00 0.66 0.07 0.00 -0.96 0.00 0.00 56.93 56.70 3gft s PHE -2 Cb 0.00 -3.82 0.19 0.00 -0.34 0.00 0.00 43.02 39.04 3gft s PHE -2 CO 0.00 -2.56 1.15 1.04 -1.46 0.00 0.00 175.22 173.39 3gft n GLN -1 N 7.20 2.87 0.00 10.12 6.02 -1.26 -5.07 117.38 137.26 3gft n GLN -1 Ca 0.16 -1.87 0.00 0.00 -0.01 0.00 0.00 57.00 55.28 3gft n GLN -1 Cb 0.45 -1.19 0.00 0.00 1.02 0.00 0.00 30.24 30.52 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 -0.04 3.97 3.66 1.08 0.00 -1.26 -5.12 105.19 107.49 3gft n GLY 0 Ca 0.07 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.91 1.68 -1.88 1.61 0.00 -1.26 -4.92 117.12 110.45 3gft n MET 1 Ca 0.00 0.60 -0.41 0.00 0.00 0.00 0.00 57.70 57.89 3gft n MET 1 Cb 0.00 -2.24 -0.01 0.00 0.00 0.00 0.00 33.22 30.97 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 -1.22 2.26 -0.09 3.17 2.01 -1.26 -4.79 115.64 115.72 3gft s THR 2 Ca 0.62 0.24 -0.01 0.00 0.31 0.00 0.00 61.69 62.86 3gft s THR 2 Cb -0.53 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 3gft s THR 2 CO 0.57 0.05 -0.06 -0.70 -0.69 0.00 0.00 174.62 173.79 3gft s GLU 3 N -1.41 3.03 -0.14 4.92 2.12 -1.26 -1.02 118.70 124.94 3gft s GLU 3 Ca 0.56 -0.54 0.02 0.00 0.36 0.00 0.00 54.97 55.37 3gft s GLU 3 Cb -0.45 -2.69 0.01 0.00 0.26 0.00 0.00 34.13 31.26 3gft s GLU 3 CO 0.55 0.53 -0.22 0.71 -0.54 0.00 0.00 175.26 176.30 3gft s TYR 4 N -0.45 2.68 -0.46 5.30 2.02 -0.08 -4.97 117.35 121.38 3gft s TYR 4 Ca 0.07 -1.36 -0.18 0.00 -0.37 0.00 0.00 57.07 55.23 3gft s TYR 4 Cb -0.12 -1.82 0.05 0.00 -0.40 0.00 0.00 41.96 39.66 3gft s TYR 4 CO 0.02 -0.62 0.50 0.15 -1.57 0.00 0.00 175.55 174.03 3gft s LYS 5 N 0.84 3.08 -0.12 -0.62 1.02 -1.26 -1.39 119.74 121.29 3gft s LYS 5 Ca -0.06 -0.93 -0.01 0.00 0.02 0.00 0.00 55.97 54.98 3gft s LYS 5 Cb -0.15 -4.05 -0.03 0.00 -0.52 0.00 0.00 37.83 33.08 3gft s LYS 5 CO -0.03 -1.03 -0.06 -0.51 -0.92 0.00 0.00 175.35 172.80 3gft s LEU 6 N 2.23 3.17 -0.08 3.17 1.43 0.29 -0.37 118.68 128.51 3gft s LEU 6 Ca 0.12 -0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.15 3gft s LEU 6 Cb -0.19 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.30 3gft s LEU 6 CO 0.12 0.25 -0.20 -0.69 0.23 0.00 0.00 176.35 176.05 3gft s VAL 7 N -0.14 1.75 -0.29 -1.59 1.01 0.97 -0.33 120.40 121.78 3gft s VAL 7 Ca 0.02 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 3gft s VAL 7 Cb -0.13 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 3gft s VAL 7 CO 0.03 0.49 0.13 -0.69 0.00 0.00 0.00 175.10 175.06 3gft s VAL 8 N 0.38 4.62 0.18 2.92 1.01 -0.54 -0.07 120.40 128.89 3gft s VAL 8 Ca -0.16 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 61.63 3gft s VAL 8 Cb -0.17 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 3gft s VAL 8 CO 0.07 0.17 -0.17 0.68 0.00 0.00 0.00 175.10 175.85 3gft s VAL 9 N 1.63 1.76 0.00 2.92 -7.23 0.43 -3.06 120.40 116.85 3gft s VAL 9 Ca 0.05 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 3gft s VAL 9 Cb -0.16 -1.89 0.00 0.00 0.56 0.00 0.00 36.38 34.89 3gft s VAL 9 CO 0.06 -0.42 0.00 0.61 -0.31 0.00 0.00 175.10 175.04 3gft n GLY 10 N 0.07 3.44 3.60 2.32 0.00 -1.26 -0.08 105.19 113.28 3gft n GLY 10 Ca -0.11 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.15 3gft n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gft n ALA 11 N -1.72 -1.49 -1.77 4.61 0.00 -1.26 -3.90 120.51 114.99 3gft n ALA 11 Ca 0.00 -0.70 -0.42 0.00 0.00 0.00 0.00 53.44 52.32 3gft n ALA 11 Cb 0.00 -2.10 -0.03 0.00 0.00 0.00 0.00 19.45 17.32 3gft n ALA 11 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3gft s GLY 12 N -2.51 1.30 0.00 0.00 0.00 -1.26 -3.30 107.32 101.55 3gft s GLY 12 Ca 0.66 1.53 0.00 0.00 0.00 0.00 0.00 44.72 46.91 3gft s GLY 12 CO 0.61 2.85 0.00 0.61 0.00 0.00 0.00 173.10 177.16 3gft n GLY 13 N 3.95 0.73 0.24 0.20 0.00 -1.26 -4.93 105.19 104.12 3gft n GLY 13 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 0.18 0.00 1.61 -1.51 -1.92 -3.47 116.25 111.14 3gft h VAL 14 Ca 0.00 -0.91 0.00 0.00 -1.23 0.00 0.00 66.70 64.56 3gft h VAL 14 Cb 0.00 1.77 0.00 0.00 -2.13 0.00 0.00 31.29 30.93 3gft h VAL 14 CO 0.00 0.08 0.00 0.61 -1.23 0.00 0.00 177.57 177.03 3gft n GLY 15 N 0.45 1.65 0.23 5.19 0.00 -1.26 -4.60 105.19 106.85 3gft n GLY 15 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 0.77 -0.04 1.61 1.57 -1.91 -0.95 116.57 117.62 3gft h LYS 16 Ca 0.00 -0.16 -0.23 0.00 -1.87 0.00 0.00 60.65 58.40 3gft h LYS 16 Cb 0.00 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.20 3gft h LYS 16 CO 0.00 0.70 -0.91 0.77 -0.57 0.00 0.00 179.45 179.45 3gft h SER 17 N 0.67 0.68 -0.52 0.86 0.02 -1.96 -2.79 113.55 110.52 3gft h SER 17 Ca 0.16 -0.51 -0.05 0.00 -0.84 0.00 0.00 61.79 60.55 3gft h SER 17 Cb 0.25 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 3gft h SER 17 CO -0.01 1.30 0.13 0.00 -1.14 0.00 0.00 176.83 177.12 3gft h ALA 18 N 0.66 1.17 -0.50 3.77 0.00 -1.87 -0.75 119.26 121.74 3gft h ALA 18 Ca -0.08 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 3gft h ALA 18 Cb 1.54 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 3gft h ALA 18 CO 0.17 0.56 -0.11 -0.07 0.00 0.00 0.00 179.25 179.80 3gft h LEU 19 N 0.84 0.96 -0.24 0.00 3.38 -1.13 -2.05 115.31 117.07 3gft h LEU 19 Ca 0.18 -0.36 -0.21 0.00 0.09 0.00 0.00 57.88 57.59 3gft h LEU 19 Cb 0.31 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.80 3gft h LEU 19 CO -0.00 1.10 -0.73 0.74 0.09 0.00 0.00 178.44 179.64 3gft h THR 20 N 0.81 1.30 -0.17 0.22 2.02 -1.17 -1.29 112.91 114.63 3gft h THR 20 Ca 0.13 -1.96 -0.19 0.00 0.77 0.00 0.00 66.41 65.16 3gft h THR 20 Cb 0.67 1.94 -0.00 0.00 -1.74 0.00 0.00 68.15 69.03 3gft h THR 20 CO 0.05 0.62 -0.66 0.40 0.37 0.00 0.00 175.52 176.30 3gft h ILE 21 N 0.51 1.32 -0.67 3.11 1.08 -1.16 -1.07 117.51 120.62 3gft h ILE 21 Ca -0.04 -1.92 -0.01 0.00 -0.39 0.00 0.00 64.86 62.50 3gft h ILE 21 Cb 1.34 1.89 -0.03 0.00 -3.07 0.00 0.00 36.82 36.95 3gft h ILE 21 CO 0.15 0.60 0.37 -0.61 -0.69 0.00 0.00 178.15 177.97 3gft h GLN 22 N 0.46 0.93 -0.52 2.37 5.75 -1.14 0.18 115.11 123.14 3gft h GLN 22 Ca -0.02 -0.11 -0.10 0.00 -0.15 0.00 0.00 58.65 58.28 3gft h GLN 22 Cb 1.24 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 29.59 3gft h GLN 22 CO 0.13 0.70 -0.06 1.25 -2.65 0.00 0.00 178.83 178.20 3gft h LEU 23 N 0.92 0.92 0.00 -2.39 5.85 -0.83 -1.89 115.31 117.88 3gft h LEU 23 Ca 0.24 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.59 3gft h LEU 23 Cb 0.04 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 3gft h LEU 23 CO -0.04 1.01 -0.58 0.40 -0.34 0.00 0.00 178.44 178.89 3gft h ILE 24 N 0.85 1.05 -0.00 4.05 1.08 -0.95 -3.41 117.51 120.17 3gft h ILE 24 Ca 0.15 -1.99 0.00 0.00 -0.39 0.00 0.00 64.86 62.63 3gft h ILE 24 Cb 0.58 2.18 0.00 0.00 -3.07 0.00 0.00 36.82 36.51 3gft h ILE 24 CO 0.03 0.35 -0.65 0.00 -0.69 0.00 0.00 178.15 177.20 3gft n GLN 25 N -4.55 1.83 -2.76 2.37 6.02 0.61 -4.97 117.38 115.92 3gft n GLN 25 Ca -0.18 -0.16 -0.16 0.00 -0.01 0.00 0.00 57.00 56.49 3gft n GLN 25 Cb 0.49 -1.24 0.02 0.00 1.02 0.00 0.00 30.24 30.53 3gft n GLN 25 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3gft n ASN 26 N -1.12 -4.88 -4.02 1.08 5.15 -0.71 -4.97 115.26 105.79 3gft n ASN 26 Ca 0.04 -0.19 -0.22 0.00 -0.60 0.00 0.00 54.58 53.61 3gft n ASN 26 Cb 0.26 -3.76 -0.16 0.00 -0.53 0.00 0.00 39.78 35.59 3gft n ASN 26 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3gft s HIS 27 N -2.98 1.15 -0.32 1.20 2.46 -1.23 -4.98 115.29 110.58 3gft s HIS 27 Ca 0.20 -0.32 -0.15 0.00 0.47 0.00 0.00 55.06 55.26 3gft s HIS 27 Cb -0.09 -0.82 -0.02 0.00 -0.13 0.00 0.00 32.58 31.53 3gft s HIS 27 CO 0.25 -0.14 0.37 0.12 -2.47 0.00 0.00 174.74 172.86 3gft s PHE 28 N 0.26 3.22 -0.26 3.88 5.36 -1.26 -2.68 117.98 126.50 3gft s PHE 28 Ca -0.05 0.09 -0.19 0.00 -0.96 0.00 0.00 56.93 55.83 3gft s PHE 28 Cb -0.10 -2.65 -0.02 0.00 -0.34 0.00 0.00 43.02 39.90 3gft s PHE 28 CO 0.01 -0.38 0.56 0.14 -1.46 0.00 0.00 175.22 174.09 3gft s VAL 29 N 2.04 5.04 -0.07 3.12 -7.23 -1.26 -4.92 120.40 117.12 3gft s VAL 29 Ca 0.13 0.97 0.12 0.00 -1.81 0.00 0.00 61.98 61.38 3gft s VAL 29 Cb -0.16 -3.87 -0.23 0.00 0.56 0.00 0.00 36.38 32.68 3gft s VAL 29 CO 0.11 0.06 0.55 -0.67 -0.31 0.00 0.00 175.10 174.85 3gft n ASP 30 N 5.60 0.87 -4.60 4.85 2.03 -1.26 -4.88 116.55 119.16 3gft n ASP 30 Ca -0.03 0.34 -0.45 0.00 0.52 0.00 0.00 54.79 55.17 3gft n ASP 30 Cb 0.49 0.01 -0.02 0.00 -0.72 0.00 0.00 41.12 40.89 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 -3.04 1.42 -3.76 -0.67 0.28 -1.26 -4.96 120.64 108.65 3gft n GLU 31 Ca -0.20 0.50 -0.35 0.00 -0.16 0.00 0.00 57.16 56.94 3gft n GLU 31 Cb 1.07 -1.92 -0.11 0.00 1.43 0.00 0.00 31.44 31.91 3gft n GLU 31 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3gft s TYR 32 N -0.88 3.41 -0.29 -1.84 1.51 -1.26 -5.04 117.35 112.95 3gft s TYR 32 Ca 0.61 -2.75 -0.04 0.00 -1.01 0.00 0.00 57.07 53.87 3gft s TYR 32 Cb -0.71 -3.14 0.03 0.00 -0.11 0.00 0.00 41.96 38.02 3gft s TYR 32 CO 0.58 -0.84 0.02 0.16 -1.11 0.00 0.00 175.55 174.36 3gft s ASP 33 N 0.69 4.85 0.68 2.29 -4.77 -1.26 -5.10 116.67 114.05 3gft s ASP 33 Ca 0.16 -0.93 -0.17 0.00 -3.30 0.00 0.00 52.55 48.31 3gft s ASP 33 Cb -0.21 -1.78 0.01 0.00 -1.09 0.00 0.00 42.92 39.85 3gft s ASP 33 CO -0.03 -0.21 1.28 -2.65 0.70 0.00 0.00 175.17 174.26 3gft n PRO 34 N 4.75 0.93 -1.12 2.11 -0.02 -1.26 -5.10 135.00 135.29 3gft n PRO 34 Ca -0.15 0.38 -0.03 0.00 -2.02 0.00 0.00 63.50 61.68 3gft n PRO 34 Cb 0.46 -2.52 0.01 0.00 -0.02 0.00 0.00 33.50 31.44 3gft n PRO 34 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3gft n THR 35 N -2.20 0.00 0.00 3.45 -1.04 -1.26 -5.15 114.28 108.08 3gft n THR 35 Ca 0.15 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 3gft n THR 35 Cb 0.48 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 67.92 3gft n THR 35 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3gft n ASP 38 N -2.94 0.00 -4.05 8.00 8.00 -1.18 -4.14 116.55 120.25 3gft n ASP 38 Ca 0.02 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.31 3gft n ASP 38 Cb 0.08 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.02 3gft n ASP 38 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3gft s SER 39 N 0.00 1.41 0.12 -2.24 1.04 -1.26 -0.19 113.70 112.58 3gft s SER 39 Ca 0.00 -0.22 0.06 0.00 0.48 0.00 0.00 55.95 56.27 3gft s SER 39 Cb 0.00 -0.29 -0.04 0.00 0.10 0.00 0.00 66.02 65.79 3gft s SER 39 CO 0.00 0.11 -0.15 -0.31 0.98 0.00 0.00 173.24 173.87 3gft s TYR 40 N -0.01 1.43 0.01 5.02 1.51 -0.16 -4.98 117.35 120.17 3gft s TYR 40 Ca -0.00 -0.53 0.04 0.00 -1.01 0.00 0.00 57.07 55.57 3gft s TYR 40 Cb -0.07 -0.75 -0.01 0.00 -0.11 0.00 0.00 41.96 41.01 3gft s TYR 40 CO 0.00 0.15 -0.11 1.03 -1.11 0.00 0.00 175.55 175.51 3gft s ARG 41 N -2.50 0.86 -0.13 -0.62 0.52 -1.26 -0.19 118.95 115.63 3gft s ARG 41 Ca 0.08 -0.49 -0.10 0.00 -0.52 0.00 0.00 55.73 54.70 3gft s ARG 41 Cb -0.06 -0.82 0.04 0.00 0.52 0.00 0.00 34.95 34.63 3gft s ARG 41 CO 0.03 0.22 0.33 0.21 0.02 0.00 0.00 175.30 176.11 3gft s LYS 42 N -0.54 0.36 -0.18 3.54 2.20 0.05 -4.97 119.74 120.19 3gft s LYS 42 Ca 0.03 0.55 -0.17 0.00 -0.36 0.00 0.00 55.97 56.01 3gft s LYS 42 Cb -0.05 0.09 -0.04 0.00 -1.51 0.00 0.00 37.83 36.32 3gft s LYS 42 CO 0.00 -0.09 0.44 -1.14 -0.36 0.00 0.00 175.35 174.20 3gft s GLN 43 N 0.64 4.21 0.06 4.03 0.74 -1.26 -0.09 119.66 127.99 3gft s GLN 43 Ca -0.04 0.29 -0.03 0.00 0.05 0.00 0.00 55.36 55.64 3gft s GLN 43 Cb -0.05 -3.52 -0.03 0.00 1.10 0.00 0.00 33.01 30.51 3gft s GLN 43 CO -0.04 -0.01 0.03 0.14 -0.55 0.00 0.00 175.29 174.86 3gft s VAL 44 N 1.21 0.19 -0.19 1.34 -7.23 -0.44 -4.99 120.40 110.29 3gft s VAL 44 Ca 0.21 -1.58 -0.03 0.00 -1.81 0.00 0.00 61.98 58.77 3gft s VAL 44 Cb -0.15 -1.41 -0.01 0.00 0.56 0.00 0.00 36.38 35.38 3gft s VAL 44 CO 0.09 -0.88 -0.08 -0.69 -0.31 0.00 0.00 175.10 173.23 3gft s VAL 45 N -3.77 3.23 -0.10 1.32 1.01 -1.26 -0.53 120.40 120.31 3gft s VAL 45 Ca 0.05 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 3gft s VAL 45 Cb 0.06 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 34.03 3gft s VAL 45 CO -0.10 0.46 -0.07 -0.63 0.00 0.00 0.00 175.10 174.77 3gft s ILE 46 N 1.12 0.92 -1.46 2.22 1.01 -0.43 -4.75 121.20 119.83 3gft s ILE 46 Ca 0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 3gft s ILE 46 Cb -0.15 -0.95 0.03 0.00 0.01 0.00 0.00 42.46 41.41 3gft s ILE 46 CO -0.02 0.34 0.55 0.47 0.00 0.00 0.00 174.94 176.29 3gft n ASP 47 N 4.81 -5.25 0.00 3.58 8.00 -1.26 -1.67 116.55 124.77 3gft n ASP 47 Ca -0.13 -0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.06 3gft n ASP 47 Cb 0.50 -4.27 0.00 0.00 -0.02 0.00 0.00 41.12 37.33 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 -1.38 0.73 3.31 0.44 0.00 -1.26 -5.01 105.19 102.01 3gft n GLY 48 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 3gft n GLY 48 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gft s GLU 49 N -0.02 3.35 0.15 1.61 4.04 -0.67 -5.10 118.70 122.07 3gft s GLU 49 Ca 0.00 -0.65 -0.30 0.00 0.04 0.00 0.00 54.97 54.05 3gft s GLU 49 Cb 0.00 -2.88 -0.08 0.00 0.02 0.00 0.00 34.13 31.19 3gft s GLU 49 CO 0.00 -0.10 1.24 0.99 -1.84 0.00 0.00 175.26 175.56 3gft s THR 50 N 1.18 3.56 0.09 1.83 2.01 -1.26 -1.32 115.64 121.73 3gft s THR 50 Ca 0.02 1.24 -0.11 0.00 0.31 0.00 0.00 61.69 63.15 3gft s THR 50 Cb -0.14 -3.79 0.01 0.00 0.01 0.00 0.00 72.50 68.58 3gft s THR 50 CO -0.02 0.16 0.25 0.00 -0.69 0.00 0.00 174.62 174.32 3gft s LEU 52 N -2.68 4.46 -0.26 0.00 2.96 -0.19 -1.33 118.68 121.63 3gft s LEU 52 Ca 0.02 -0.80 -0.21 0.00 -0.22 0.00 0.00 54.13 52.93 3gft s LEU 52 Cb 0.03 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 3gft s LEU 52 CO -0.10 -0.31 0.64 -0.76 -1.32 0.00 0.00 176.35 174.51 3gft s LEU 53 N 1.57 4.08 -0.30 -0.68 1.43 0.87 -0.90 118.68 124.75 3gft s LEU 53 Ca 0.03 0.67 -0.07 0.00 -1.03 0.00 0.00 54.13 53.73 3gft s LEU 53 Cb -0.18 -2.87 0.01 0.00 0.03 0.00 0.00 46.19 43.18 3gft s LEU 53 CO 0.06 -0.40 0.08 -0.62 0.23 0.00 0.00 176.35 175.70 3gft s ASP 54 N 1.50 5.13 -0.16 2.29 3.68 -0.49 -0.77 116.67 127.85 3gft s ASP 54 Ca 0.27 -0.77 0.01 0.00 2.13 0.00 0.00 52.55 54.18 3gft s ASP 54 Cb -0.15 -1.87 0.01 0.00 -1.45 0.00 0.00 42.92 39.45 3gft s ASP 54 CO 0.09 -0.21 -0.19 -0.63 0.13 0.00 0.00 175.17 174.37 3gft s ILE 55 N 1.48 2.29 -0.28 4.11 1.01 0.73 -0.55 121.20 130.00 3gft s ILE 55 Ca 0.02 -0.88 -0.10 0.00 0.00 0.00 0.00 60.65 59.69 3gft s ILE 55 Cb -0.17 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 3gft s ILE 55 CO 0.02 0.53 0.15 -0.22 0.00 0.00 0.00 174.94 175.43 3gft s LEU 56 N 1.00 3.88 -0.40 2.97 2.96 0.55 -0.99 118.68 128.65 3gft s LEU 56 Ca -0.02 -0.14 -0.19 0.00 -0.22 0.00 0.00 54.13 53.56 3gft s LEU 56 Cb -0.15 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.51 3gft s LEU 56 CO -0.05 -0.07 0.55 -0.62 -1.32 0.00 0.00 176.35 174.85 3gft s ASP 57 N 1.70 6.29 0.44 3.68 -1.08 0.73 -1.46 116.67 126.98 3gft s ASP 57 Ca 0.07 -0.31 0.02 0.00 -0.52 0.00 0.00 52.55 51.80 3gft s ASP 57 Cb -0.16 -2.28 0.00 0.00 -1.46 0.00 0.00 42.92 39.02 3gft s ASP 57 CO 0.08 -0.63 0.65 0.42 0.52 0.00 0.00 175.17 176.20 3gft s THR 58 N 2.52 3.78 0.24 1.71 -4.23 -1.17 -3.08 115.64 115.41 3gft s THR 58 Ca 0.19 -0.63 -0.30 0.00 -1.18 0.00 0.00 61.69 59.77 3gft s THR 58 Cb -0.15 -3.38 -0.09 0.00 1.34 0.00 0.00 72.50 70.22 3gft s THR 58 CO 0.16 -0.24 0.97 0.00 -0.54 0.00 0.00 174.62 174.97 3gft s ALA 59 N -2.51 3.35 -1.19 3.99 0.00 -1.26 -4.84 121.76 119.29 3gft s ALA 59 Ca 0.49 0.67 -0.08 0.00 0.00 0.00 0.00 51.96 53.05 3gft s ALA 59 Cb -0.10 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.72 3gft s ALA 59 CO 0.37 0.12 2.43 0.41 0.00 0.00 0.00 175.76 179.09 3gft n GLY 60 N 1.50 3.56 0.00 0.00 0.00 -1.25 -4.82 105.19 104.18 3gft n GLY 60 Ca -0.01 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3gft n GLY 60 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gft n SER 65 N 4.06 0.00 0.06 1.61 2.88 -1.26 -4.26 113.62 116.72 3gft n SER 65 Ca 0.58 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 58.24 3gft n SER 65 Cb 0.18 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 63.90 3gft n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gft n ALA 66 N 0.18 2.78 -0.04 -1.46 0.00 -1.26 -3.44 120.51 117.27 3gft n ALA 66 Ca 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 53.44 53.13 3gft n ALA 66 Cb 0.00 -1.26 -0.11 0.00 0.00 0.00 0.00 19.45 18.08 3gft n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gft h MET 67 N 0.00 -0.03 -0.63 0.00 3.00 -2.06 -2.57 114.93 112.64 3gft h MET 67 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 59.70 59.81 3gft h MET 67 Cb 0.71 0.01 -0.08 0.00 0.00 0.00 0.00 31.60 32.23 3gft h MET 67 CO 0.00 0.71 0.21 -0.09 0.00 0.00 0.00 176.91 177.74 3gft h ARG 68 N -0.88 0.36 -0.08 -0.10 2.43 -2.01 -1.04 114.38 113.07 3gft h ARG 68 Ca -0.00 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 3gft h ARG 68 Cb 0.75 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 3gft h ARG 68 CO 0.01 0.24 -0.27 -0.44 -1.51 0.00 0.00 179.97 177.99 3gft h ASP 69 N 0.38 0.15 -0.26 -3.80 5.19 -1.59 -1.97 116.42 114.51 3gft h ASP 69 Ca 0.33 -0.04 -0.11 0.00 -0.62 0.00 0.00 57.03 56.59 3gft h ASP 69 Cb 0.44 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 3gft h ASP 69 CO -0.35 0.42 -0.21 -0.61 -3.12 0.00 0.00 179.24 175.38 3gft h GLN 70 N 0.13 0.72 0.00 3.56 5.75 -0.79 -1.18 115.11 123.31 3gft h GLN 70 Ca 0.02 -0.28 -0.18 0.00 -0.15 0.00 0.00 58.65 58.06 3gft h GLN 70 Cb 0.56 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.04 3gft h GLN 70 CO 0.04 0.87 -0.95 0.10 -2.65 0.00 0.00 178.83 176.25 3gft h TYR 71 N 0.64 0.00 -0.12 3.99 -0.00 -0.89 -1.99 116.97 118.60 3gft h TYR 71 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.72 3gft h TYR 71 Cb 0.69 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.41 3gft h TYR 71 CO 0.03 0.82 -0.38 0.52 -0.00 0.00 0.00 178.16 179.15 3gft h MET 72 N 0.00 0.26 -0.06 0.10 2.86 -1.22 -0.55 114.93 116.32 3gft h MET 72 Ca -0.05 -0.12 -0.10 0.00 -2.06 0.00 0.00 59.70 57.38 3gft h MET 72 Cb 1.66 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 33.32 3gft h MET 72 CO 0.10 0.61 -0.35 -0.09 1.06 0.00 0.00 176.91 178.24 3gft h ARG 73 N 0.22 0.34 -0.14 1.72 2.43 -1.09 -3.33 114.38 114.53 3gft h ARG 73 Ca 0.02 -0.29 -0.19 0.00 -0.81 0.00 0.00 59.98 58.71 3gft h ARG 73 Cb 0.78 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 3gft h ARG 73 CO 0.06 0.94 -0.70 1.79 -1.51 0.00 0.00 179.97 180.55 3gft h THR 74 N -0.17 1.33 -3.43 0.20 1.35 -1.24 -3.45 112.91 107.49 3gft h THR 74 Ca -0.03 -2.00 -0.55 0.00 -0.55 0.00 0.00 66.41 63.29 3gft h THR 74 Cb 1.02 1.97 0.10 0.00 -1.73 0.00 0.00 68.15 69.51 3gft h THR 74 CO 0.07 0.62 0.74 0.61 -0.25 0.00 0.00 175.52 177.31 3gft n GLY 75 N 0.53 1.09 0.05 5.82 0.00 -0.22 -4.92 105.19 107.53 3gft n GLY 75 Ca -0.05 0.39 0.08 0.00 0.00 0.00 0.00 46.02 46.43 3gft n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gft n GLU 76 N 1.26 0.65 -3.69 1.61 1.02 0.50 -4.96 120.64 117.04 3gft n GLU 76 Ca 0.06 -0.08 -0.14 0.00 -0.02 0.00 0.00 57.16 56.97 3gft n GLU 76 Cb 0.37 -1.60 -0.08 0.00 -0.02 0.00 0.00 31.44 30.10 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 -4.64 -0.35 -0.10 0.62 0.00 -0.87 -4.30 107.32 97.68 3gft s GLY 77 Ca -0.06 1.08 0.02 0.00 0.00 0.00 0.00 44.72 45.76 3gft s GLY 77 CO 0.87 0.85 -0.17 -1.36 0.00 0.00 0.00 173.10 173.29 3gft s PHE 78 N -0.46 2.08 -0.25 1.90 0.08 -0.71 -0.02 117.98 120.61 3gft s PHE 78 Ca -0.06 -0.92 -0.18 0.00 0.12 0.00 0.00 56.93 55.89 3gft s PHE 78 Cb -0.03 -1.46 -0.03 0.00 -0.57 0.00 0.00 43.02 40.93 3gft s PHE 78 CO 0.03 -0.44 0.51 -0.51 -0.10 0.00 0.00 175.22 174.72 3gft s LEU 79 N 0.75 4.07 -0.45 -0.37 1.43 0.89 -1.33 118.68 123.67 3gft s LEU 79 Ca -0.11 0.55 -0.13 0.00 -1.03 0.00 0.00 54.13 53.40 3gft s LEU 79 Cb -0.16 -2.66 0.08 0.00 0.03 0.00 0.00 46.19 43.47 3gft s LEU 79 CO 0.02 -0.26 0.35 0.00 0.23 0.00 0.00 176.35 176.69 3gft s VAL 81 N 1.56 4.51 0.36 0.00 1.01 0.89 0.06 120.40 128.78 3gft s VAL 81 Ca 0.04 -0.12 0.09 0.00 0.00 0.00 0.00 61.98 61.99 3gft s VAL 81 Cb -0.24 -3.06 -0.07 0.00 0.00 0.00 0.00 36.38 33.01 3gft s VAL 81 CO 0.05 0.40 -0.07 0.72 0.00 0.00 0.00 175.10 176.20 3gft s PHE 82 N 0.94 2.43 -0.18 5.22 -0.12 0.36 -4.00 117.98 122.64 3gft s PHE 82 Ca 0.04 -0.53 -0.04 0.00 -0.05 0.00 0.00 56.93 56.34 3gft s PHE 82 Cb -0.14 -1.46 -0.03 0.00 -0.63 0.00 0.00 43.02 40.76 3gft s PHE 82 CO 0.03 0.56 -0.02 0.00 -0.05 0.00 0.00 175.22 175.73 3gft s ALA 83 N -2.63 3.02 -0.74 1.99 0.00 -1.26 -0.53 121.76 121.61 3gft s ALA 83 Ca 0.33 -0.90 0.14 0.00 0.00 0.00 0.00 51.96 51.53 3gft s ALA 83 Cb 0.04 -1.66 0.63 0.00 0.00 0.00 0.00 23.12 22.14 3gft s ALA 83 CO 0.17 0.05 1.43 0.44 0.00 0.00 0.00 175.76 177.84 3gft n ILE 84 N 3.86 1.24 -0.41 0.00 -5.35 -0.46 -0.56 119.36 117.68 3gft n ILE 84 Ca -0.17 0.40 0.08 0.00 -0.27 0.00 0.00 62.75 62.79 3gft n ILE 84 Cb 0.52 -1.30 0.24 0.00 -1.74 0.00 0.00 39.64 37.36 3gft n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3gft n ASN 85 N -1.80 3.63 -3.61 7.28 6.94 -1.26 -0.35 115.26 126.08 3gft n ASN 85 Ca 0.01 -2.22 -0.29 0.00 -0.02 0.00 0.00 54.58 52.06 3gft n ASN 85 Cb 0.11 -0.40 -0.14 0.00 -2.36 0.00 0.00 39.78 37.00 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 -1.10 3.63 0.36 0.53 3.84 0.28 -4.71 114.94 117.75 3gft s ASN 86 Ca 0.37 -1.70 0.05 0.00 0.21 0.00 0.00 52.86 51.79 3gft s ASN 86 Cb 0.22 -0.61 0.67 0.00 -0.55 0.00 0.00 41.25 40.98 3gft s ASN 86 CO 0.20 -0.39 1.93 0.74 -2.79 0.00 0.00 177.10 176.79 3gft h THR 87 N 6.08 1.17 -0.47 -5.21 2.02 -1.88 -2.57 112.91 112.06 3gft h THR 87 Ca -0.11 -0.61 -0.12 0.00 0.77 0.00 0.00 66.41 66.34 3gft h THR 87 Cb 1.00 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 3gft h THR 87 CO 0.43 0.22 -0.17 0.50 0.37 0.00 0.00 175.52 176.86 3gft h LYS 88 N 0.53 0.93 -0.02 6.66 3.64 -1.94 -2.11 116.57 124.25 3gft h LYS 88 Ca 0.12 -0.36 -0.09 0.00 -1.27 0.00 0.00 60.65 59.05 3gft h LYS 88 Cb 0.21 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3gft h LYS 88 CO -0.00 1.02 -0.40 0.66 -2.27 0.00 0.00 179.45 178.45 3gft h SER 89 N 0.81 0.05 0.05 4.20 4.64 -1.79 0.25 113.55 121.76 3gft h SER 89 Ca 0.12 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.28 3gft h SER 89 Cb 0.72 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 3gft h SER 89 CO 0.06 0.45 -0.44 0.15 -0.87 0.00 0.00 176.83 176.17 3gft h PHE 90 N 0.04 0.58 -0.11 4.77 3.57 -1.30 -3.10 116.94 121.39 3gft h PHE 90 Ca 0.00 -0.17 -0.18 0.00 3.53 0.00 0.00 57.97 61.15 3gft h PHE 90 Cb 0.74 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.35 3gft h PHE 90 CO 0.00 0.84 -0.67 0.93 -2.23 0.00 0.00 178.31 177.18 3gft h GLU 91 N 0.39 0.46 0.00 1.11 5.08 -0.58 -2.92 114.58 118.11 3gft h GLU 91 Ca 0.03 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 3gft h GLU 91 Cb 0.93 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 3gft h GLU 91 CO 0.08 0.97 -0.12 -0.44 -1.00 0.00 0.00 179.01 178.50 3gft h ASP 92 N 0.33 0.00 -0.75 1.42 3.32 -0.95 -3.26 116.42 116.52 3gft h ASP 92 Ca -0.02 0.00 0.17 0.00 0.02 0.00 0.00 57.03 57.20 3gft h ASP 92 Cb 1.23 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.66 3gft h ASP 92 CO 0.12 0.12 0.13 0.40 -1.72 0.00 0.00 179.24 178.29 3gft h ILE 93 N 0.00 0.44 0.00 0.35 1.08 -1.44 0.15 117.51 118.09 3gft h ILE 93 Ca -0.00 -0.07 -0.04 0.00 -0.39 0.00 0.00 64.86 64.36 3gft h ILE 93 Cb 0.25 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 34.21 3gft h ILE 93 CO 0.01 0.04 -0.18 1.12 -0.69 0.00 0.00 178.15 178.45 3gft h HIS 94 N 0.21 0.00 -0.36 1.37 2.07 -1.77 -0.90 115.15 115.76 3gft h HIS 94 Ca 0.43 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.79 3gft h HIS 94 Cb 0.76 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.74 3gft h HIS 94 CO -0.31 0.18 -0.41 0.45 -3.07 0.00 0.00 177.93 174.77 3gft h HIS 95 N 0.00 1.11 -0.37 6.12 3.86 -0.92 -0.76 115.15 124.18 3gft h HIS 95 Ca -0.00 -0.34 -0.05 0.00 -1.16 0.00 0.00 60.37 58.81 3gft h HIS 95 Cb 0.51 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 3gft h HIS 95 CO 0.00 1.17 0.03 1.88 0.86 0.00 0.00 177.93 181.87 3gft h TYR 96 N 0.74 0.68 -0.68 2.45 0.05 -1.01 -2.30 116.97 116.90 3gft h TYR 96 Ca 0.05 -0.11 -0.06 0.00 0.05 0.00 0.00 58.73 58.67 3gft h TYR 96 Cb 1.01 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 38.54 3gft h TYR 96 CO 0.06 0.70 0.20 -0.09 -1.05 0.00 0.00 178.16 177.99 3gft h ARG 97 N 0.47 1.05 -0.41 4.88 2.43 -1.06 -2.03 114.38 119.71 3gft h ARG 97 Ca 0.11 -0.22 -0.14 0.00 -0.81 0.00 0.00 59.98 58.92 3gft h ARG 97 Cb 0.41 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 3gft h ARG 97 CO 0.01 0.91 -0.29 0.93 -1.51 0.00 0.00 179.97 180.02 3gft h GLU 98 N 1.01 0.92 -0.49 0.20 4.39 -1.05 -2.03 114.58 117.53 3gft h GLU 98 Ca 0.22 -0.44 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 3gft h GLU 98 Cb 0.30 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 3gft h GLU 98 CO -0.01 1.10 0.25 0.37 -1.16 0.00 0.00 179.01 179.57 3gft h GLN 99 N 0.75 0.70 -0.46 2.33 5.75 -1.26 -0.98 115.11 121.94 3gft h GLN 99 Ca 0.08 -0.09 -0.13 0.00 -0.15 0.00 0.00 58.65 58.35 3gft h GLN 99 Cb 0.87 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.28 3gft h GLN 99 CO 0.08 0.57 -0.24 0.82 -2.65 0.00 0.00 178.83 177.41 3gft h ILE 100 N 0.65 1.27 -0.25 2.39 2.04 -1.24 -1.60 117.51 120.78 3gft h ILE 100 Ca 0.17 -1.40 -0.07 0.00 1.00 0.00 0.00 64.86 64.56 3gft h ILE 100 Cb 0.09 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3gft h ILE 100 CO -0.02 0.48 -0.15 0.11 0.00 0.00 0.00 178.15 178.57 3gft h LYS 101 N 0.83 0.42 0.10 2.37 6.56 -1.17 -1.96 116.57 123.72 3gft h LYS 101 Ca 0.10 -0.12 -0.00 0.00 -1.06 0.00 0.00 60.65 59.57 3gft h LYS 101 Cb 0.81 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.43 3gft h LYS 101 CO 0.07 0.57 -0.05 -0.09 -2.06 0.00 0.00 179.45 177.89 3gft h ARG 102 N 0.39 -0.13 -0.44 3.15 2.43 -0.60 -0.65 114.38 118.53 3gft h ARG 102 Ca 0.07 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 3gft h ARG 102 Cb 0.49 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 3gft h ARG 102 CO 0.03 0.19 0.04 0.28 -1.51 0.00 0.00 179.97 179.00 3gft h VAL 103 N -0.46 1.25 0.00 0.20 2.07 -1.27 -2.86 116.25 115.19 3gft h VAL 103 Ca -0.01 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.55 3gft h VAL 103 Cb 0.38 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3gft h VAL 103 CO 0.02 0.33 -0.08 0.29 0.02 0.00 0.00 177.57 178.16 3gft n LYS 104 N -4.44 0.11 -3.90 1.57 4.76 -0.74 -4.91 118.16 110.61 3gft n LYS 104 Ca 0.00 0.08 -0.33 0.00 -2.87 0.00 0.00 58.31 55.20 3gft n LYS 104 Cb 0.27 -1.62 0.01 0.00 -1.84 0.00 0.00 35.03 31.84 3gft n LYS 104 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3gft n ASP 105 N -1.81 -2.99 -3.62 4.39 4.64 -0.30 -4.98 116.55 111.89 3gft n ASP 105 Ca 0.06 -1.09 -0.16 0.00 -1.38 0.00 0.00 54.79 52.22 3gft n ASP 105 Cb 0.38 -2.79 -0.07 0.00 -1.04 0.00 0.00 41.12 37.60 3gft n ASP 105 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 3gft s SER 106 N -3.84 -0.54 0.20 1.67 0.15 -0.90 -5.01 113.70 105.42 3gft s SER 106 Ca 0.29 0.69 0.25 0.00 0.70 0.00 0.00 55.95 57.88 3gft s SER 106 Cb -0.12 0.66 0.53 0.00 -1.71 0.00 0.00 66.02 65.38 3gft s SER 106 CO 0.90 -0.47 1.54 -0.33 1.20 0.00 0.00 173.24 176.08 3gft h GLU 107 N 3.77 0.00 -2.04 5.44 4.39 -1.94 -3.40 114.58 120.80 3gft h GLU 107 Ca -0.28 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 58.86 3gft h GLU 107 Cb 1.16 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 29.39 3gft h GLU 107 CO 0.32 0.00 -0.79 -3.47 -1.16 0.00 0.00 179.01 173.92 3gft n ASP 108 N -2.31 3.71 -4.69 1.42 2.03 -1.26 -5.04 116.55 110.41 3gft n ASP 108 Ca 0.04 -3.52 -0.39 0.00 0.52 0.00 0.00 54.79 51.44 3gft n ASP 108 Cb 0.45 -0.55 -0.06 0.00 -0.72 0.00 0.00 41.12 40.24 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 -4.22 5.10 -0.07 5.18 1.01 -1.26 -5.02 120.40 121.11 3gft s VAL 109 Ca 0.46 1.12 -0.34 0.00 0.00 0.00 0.00 61.98 63.22 3gft s VAL 109 Cb 0.32 -3.90 -0.12 0.00 0.00 0.00 0.00 36.38 32.68 3gft s VAL 109 CO -0.13 0.22 1.87 -2.65 0.00 0.00 0.00 175.10 174.41 3gft n PRO 110 N 4.30 2.18 -3.87 2.72 -0.02 -1.26 -4.95 135.00 134.10 3gft n PRO 110 Ca -0.04 0.80 -0.11 0.00 -2.02 0.00 0.00 63.50 62.13 3gft n PRO 110 Cb 0.51 -2.64 -0.09 0.00 -0.02 0.00 0.00 33.50 31.26 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 3.90 0.58 -0.02 -0.52 -1.94 -1.26 -1.74 119.30 118.30 3gft s MET 111 Ca 0.92 -0.53 0.04 0.00 -1.71 0.00 0.00 55.69 54.40 3gft s MET 111 Cb -0.69 0.24 -0.00 0.00 2.01 0.00 0.00 34.83 36.38 3gft s MET 111 CO 0.51 -0.15 -0.13 0.08 -0.01 0.00 0.00 175.02 175.32 3gft s VAL 112 N -2.00 1.06 -0.13 -6.03 1.01 -0.44 -4.19 120.40 109.69 3gft s VAL 112 Ca -0.10 -0.54 -0.24 0.00 0.00 0.00 0.00 61.98 61.10 3gft s VAL 112 Cb -0.04 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 3gft s VAL 112 CO -0.01 0.31 0.76 -0.22 0.00 0.00 0.00 175.10 175.94 3gft s LEU 113 N -0.05 4.23 -0.21 3.92 2.96 -0.29 -0.51 118.68 128.73 3gft s LEU 113 Ca -0.00 1.15 0.01 0.00 -0.22 0.00 0.00 54.13 55.06 3gft s LEU 113 Cb -0.08 -3.14 0.03 0.00 0.50 0.00 0.00 46.19 43.50 3gft s LEU 113 CO 0.00 -0.27 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.92 3gft s VAL 114 N 1.58 2.27 -0.58 1.68 1.01 0.11 -1.54 120.40 124.93 3gft s VAL 114 Ca 0.37 -1.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.09 3gft s VAL 114 Cb -0.17 -2.08 0.13 0.00 0.00 0.00 0.00 36.38 34.26 3gft s VAL 114 CO 0.15 0.35 0.56 -0.83 0.00 0.00 0.00 175.10 175.33 3gft s GLY 115 N 1.26 2.09 0.39 4.51 0.00 -0.64 -0.49 107.32 114.44 3gft s GLY 115 Ca 0.01 -2.57 0.05 0.00 0.00 0.00 0.00 44.72 42.22 3gft s GLY 115 CO -0.09 1.27 0.55 0.21 0.00 0.00 0.00 173.10 175.04 3gft s ASN 116 N 3.47 5.84 -0.81 1.64 2.47 0.31 -0.39 114.94 127.48 3gft s ASN 116 Ca 0.06 -0.12 -0.01 0.00 0.42 0.00 0.00 52.86 53.21 3gft s ASN 116 Cb -0.27 -1.17 0.00 0.00 -1.45 0.00 0.00 41.25 38.37 3gft s ASN 116 CO 0.02 -0.59 0.13 0.29 -3.72 0.00 0.00 177.10 173.23 3gft n LYS 117 N -1.81 -1.48 0.00 0.43 5.02 -0.77 -1.36 118.16 118.20 3gft n LYS 117 Ca 0.02 0.47 0.06 0.00 -2.02 0.00 0.00 58.31 56.84 3gft n LYS 117 Cb 0.58 -4.45 0.38 0.00 -0.02 0.00 0.00 35.03 31.52 3gft n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gft n ASP 119 N -0.93 0.81 -4.83 0.00 5.75 -1.26 -4.92 116.55 111.16 3gft n ASP 119 Ca 0.10 0.26 -0.35 0.00 -0.01 0.00 0.00 54.79 54.79 3gft n ASP 119 Cb 0.04 0.43 -0.06 0.00 -1.03 0.00 0.00 41.12 40.51 3gft n ASP 119 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3gft s LEU 120 N -5.11 4.33 0.00 -2.12 1.43 -0.72 -4.96 118.68 111.54 3gft s LEU 120 Ca 0.01 1.20 0.30 0.00 -1.03 0.00 0.00 54.13 54.60 3gft s LEU 120 Cb 0.10 -3.40 1.40 0.00 0.03 0.00 0.00 46.19 44.32 3gft s LEU 120 CO 0.78 0.07 1.94 -0.81 0.23 0.00 0.00 176.35 178.56 3gft n PRO 121 N 0.74 1.27 0.00 1.29 -0.04 -1.26 -4.23 135.00 132.78 3gft n PRO 121 Ca -0.04 -0.50 0.02 0.00 -0.04 0.00 0.00 63.50 62.95 3gft n PRO 121 Cb 0.52 -1.49 0.13 0.00 -0.04 0.00 0.00 33.50 32.62 3gft n PRO 121 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3gft n SER 122 N -0.43 0.00 -4.65 3.54 7.64 -1.26 -4.92 113.62 113.53 3gft n SER 122 Ca 0.20 -1.06 -0.57 0.00 1.01 0.00 0.00 58.87 58.45 3gft n SER 122 Cb 0.25 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.38 3gft n SER 122 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3gft n ARG 123 N -0.62 1.02 -0.00 1.43 0.63 -1.26 -4.69 116.66 113.17 3gft n ARG 123 Ca 0.03 0.36 0.03 0.00 -0.92 0.00 0.00 57.85 57.35 3gft n ARG 123 Cb 0.02 -2.09 -0.04 0.00 0.45 0.00 0.00 32.46 30.80 3gft n ARG 123 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3gft n THR 124 N 5.04 0.00 -3.82 5.15 -2.24 -0.62 -4.97 114.28 112.82 3gft n THR 124 Ca 0.30 -0.24 -0.36 0.00 -2.27 0.00 0.00 64.05 61.48 3gft n THR 124 Cb 0.12 0.65 -0.13 0.00 -2.10 0.00 0.00 70.33 68.88 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 -2.03 4.17 0.40 2.28 1.01 0.52 -4.89 120.40 121.86 3gft s VAL 125 Ca -0.00 -0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.53 3gft s VAL 125 Cb 0.04 -2.94 -0.10 0.00 0.00 0.00 0.00 36.38 33.38 3gft s VAL 125 CO 0.25 0.36 0.96 -1.81 0.00 0.00 0.00 175.10 174.87 3gft s ASP 126 N 1.47 7.02 0.36 3.32 1.01 -1.26 -4.91 116.67 123.69 3gft s ASP 126 Ca 0.06 1.77 0.04 0.00 0.71 0.00 0.00 52.55 55.12 3gft s ASP 126 Cb -0.15 -2.56 0.69 0.00 1.01 0.00 0.00 42.92 41.92 3gft s ASP 126 CO 0.02 -0.30 2.00 0.74 0.21 0.00 0.00 175.17 177.85 3gft h THR 127 N 2.12 1.15 -0.08 -1.27 2.02 -1.99 -2.10 112.91 112.76 3gft h THR 127 Ca -0.48 -0.34 -0.11 0.00 0.77 0.00 0.00 66.41 66.25 3gft h THR 127 Cb 1.19 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 3gft h THR 127 CO 0.62 0.16 -0.43 0.50 0.37 0.00 0.00 175.52 176.74 3gft h LYS 128 N 0.72 0.19 -0.01 6.66 3.64 -1.98 0.27 116.57 126.06 3gft h LYS 128 Ca 0.19 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3gft h LYS 128 Cb -0.02 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3gft h LYS 128 CO -0.04 0.59 0.00 1.96 -2.27 0.00 0.00 179.45 179.70 3gft h GLN 129 N 0.16 0.01 -0.35 1.90 4.20 -1.77 -0.04 115.11 119.22 3gft h GLN 129 Ca 0.01 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 3gft h GLN 129 Cb 0.83 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 3gft h GLN 129 CO 0.06 0.22 0.02 0.00 -0.67 0.00 0.00 178.83 178.47 3gft h ALA 130 N 0.79 0.47 -0.74 3.87 0.00 -1.30 -1.76 119.26 120.60 3gft h ALA 130 Ca 0.00 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.74 3gft h ALA 130 Cb 0.21 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3gft h ALA 130 CO -0.00 0.20 0.44 1.96 0.00 0.00 0.00 179.25 181.86 3gft h GLN 131 N 0.42 0.80 -0.40 0.00 4.20 -0.41 0.55 115.11 120.27 3gft h GLN 131 Ca 0.10 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 3gft h GLN 131 Cb 0.41 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3gft h GLN 131 CO 0.01 0.53 0.14 -0.44 -0.67 0.00 0.00 178.83 178.40 3gft h ASP 132 N 0.83 0.58 0.37 1.46 3.32 -0.86 -0.24 116.42 121.86 3gft h ASP 132 Ca 0.32 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 3gft h ASP 132 Cb 0.13 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3gft h ASP 132 CO -0.16 0.62 -0.18 0.25 -1.72 0.00 0.00 179.24 178.05 3gft h LEU 133 N 0.50 -0.42 -0.59 1.55 5.85 -0.89 -1.27 115.31 120.05 3gft h LEU 133 Ca 0.13 -0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.89 3gft h LEU 133 Cb 0.24 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.30 3gft h LEU 133 CO -0.01 -0.20 0.16 0.00 -0.34 0.00 0.00 178.44 178.05 3gft h ALA 134 N -0.03 0.71 -0.92 1.25 0.00 -0.79 -0.62 119.26 118.86 3gft h ALA 134 Ca -0.05 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3gft h ALA 134 Cb 0.45 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 3gft h ALA 134 CO 0.08 -0.27 0.60 -0.09 0.00 0.00 0.00 179.25 179.58 3gft h ARG 135 N 0.31 1.04 -0.15 0.00 2.43 -0.78 0.72 114.38 117.95 3gft h ARG 135 Ca 0.30 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.32 3gft h ARG 135 Cb 0.42 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 3gft h ARG 135 CO -0.36 0.69 -0.31 0.66 -1.51 0.00 0.00 179.97 179.14 3gft h SER 136 N 1.07 0.31 1.31 -3.80 4.64 0.07 -2.81 113.55 114.33 3gft h SER 136 Ca 0.39 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3gft h SER 136 Cb 0.17 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3gft h SER 136 CO -0.15 0.61 -0.25 1.88 -0.87 0.00 0.00 176.83 178.06 3gft h TYR 137 N 0.26 0.00 -1.09 4.77 0.05 -0.14 -3.47 116.97 117.35 3gft h TYR 137 Ca 0.04 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.64 3gft h TYR 137 Cb 0.69 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.41 3gft h TYR 137 CO 0.01 0.00 -0.21 0.41 -1.05 0.00 0.00 178.16 177.32 3gft n GLY 138 N 1.29 0.19 3.45 3.88 0.00 0.05 -5.04 105.19 109.02 3gft n GLY 138 Ca 0.04 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.41 2.40 0.62 -0.61 -4.36 -0.56 -5.01 121.20 111.26 3gft s ILE 139 Ca 0.00 -2.28 -0.18 0.00 -0.26 0.00 0.00 60.65 57.94 3gft s ILE 139 Cb 0.00 -2.23 -0.02 0.00 1.25 0.00 0.00 42.46 41.46 3gft s ILE 139 CO 0.00 -0.32 1.17 -2.84 0.24 0.00 0.00 174.94 173.19 3gft s PRO 140 N -3.24 2.90 -0.08 0.37 0.02 -1.26 -4.26 135.00 129.45 3gft s PRO 140 Ca 0.27 1.67 0.04 0.00 0.02 0.00 0.00 61.00 63.00 3gft s PRO 140 Cb -0.06 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.53 3gft s PRO 140 CO 0.13 -1.22 -0.21 0.12 -0.33 0.00 0.00 177.00 175.49 3gft s PHE 141 N -1.85 2.24 -0.02 6.54 5.36 -1.26 -1.14 117.98 127.84 3gft s PHE 141 Ca 0.74 -0.84 0.01 0.00 -0.96 0.00 0.00 56.93 55.88 3gft s PHE 141 Cb -0.26 -1.51 0.01 0.00 -0.34 0.00 0.00 43.02 40.91 3gft s PHE 141 CO 0.35 -0.34 -0.04 0.42 -1.46 0.00 0.00 175.22 174.15 3gft s ILE 142 N 0.30 0.41 -0.22 3.12 1.01 -0.59 -4.99 121.20 120.24 3gft s ILE 142 Ca -0.14 -0.14 -0.18 0.00 0.00 0.00 0.00 60.65 60.18 3gft s ILE 142 Cb -0.16 -0.40 -0.03 0.00 0.01 0.00 0.00 42.46 41.88 3gft s ILE 142 CO 0.06 0.15 0.51 -0.70 0.00 0.00 0.00 174.94 174.97 3gft s GLU 143 N 0.37 4.14 0.24 2.79 2.12 -1.26 -1.62 118.70 125.48 3gft s GLU 143 Ca -0.04 0.37 0.08 0.00 0.36 0.00 0.00 54.97 55.74 3gft s GLU 143 Cb -0.08 -3.60 -0.05 0.00 0.26 0.00 0.00 34.13 30.67 3gft s GLU 143 CO -0.00 -0.22 -0.14 0.95 -0.54 0.00 0.00 175.26 175.31 3gft s THR 144 N 1.88 1.87 -0.11 -1.70 -4.23 0.48 -4.24 115.64 109.59 3gft s THR 144 Ca 0.23 -2.23 -0.04 0.00 -1.18 0.00 0.00 61.69 58.46 3gft s THR 144 Cb -0.15 -2.20 0.06 0.00 1.34 0.00 0.00 72.50 71.55 3gft s THR 144 CO 0.09 -0.49 0.22 -0.55 -0.54 0.00 0.00 174.62 173.35 3gft s SER 145 N -3.39 0.44 0.11 3.99 0.15 0.44 -1.26 113.70 114.18 3gft s SER 145 Ca 0.26 0.48 0.19 0.00 0.70 0.00 0.00 55.95 57.57 3gft s SER 145 Cb -0.01 0.50 0.78 0.00 -1.71 0.00 0.00 66.02 65.58 3gft s SER 145 CO 0.10 -0.23 1.57 0.00 1.20 0.00 0.00 173.24 175.88 3gft n ALA 146 N 5.21 1.67 -0.11 5.45 0.00 -1.26 -0.51 120.51 130.96 3gft n ALA 146 Ca -0.08 0.01 -0.24 0.00 0.00 0.00 0.00 53.44 53.13 3gft n ALA 146 Cb 0.50 -1.30 -0.11 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.82 0.58 0.03 0.00 4.81 -1.26 -4.42 118.16 116.09 3gft n LYS 147 Ca 0.03 0.47 0.12 0.00 -0.87 0.00 0.00 58.31 58.06 3gft n LYS 147 Cb 0.20 -1.68 0.15 0.00 0.02 0.00 0.00 35.03 33.72 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 -4.31 0.20 -0.94 3.15 -2.24 -1.20 -4.94 114.28 104.00 3gft n THR 148 Ca -0.38 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3gft n THR 148 Cb 0.76 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 3gft n THR 148 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3gft n ARG 149 N -1.89 -0.04 -1.68 -0.78 1.74 0.33 -4.98 116.66 109.36 3gft n ARG 149 Ca 0.03 0.01 -0.47 0.00 -0.77 0.00 0.00 57.85 56.65 3gft n ARG 149 Cb 0.41 -2.85 -0.04 0.00 -1.02 0.00 0.00 32.46 28.96 3gft n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3gft n GLN 150 N -2.07 2.24 -0.94 5.56 7.27 -1.14 -2.13 117.38 126.17 3gft n GLN 150 Ca 0.00 0.82 0.00 0.00 0.07 0.00 0.00 57.00 57.89 3gft n GLN 150 Cb 0.01 -2.65 0.00 0.00 2.41 0.00 0.00 30.24 30.01 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 4.12 0.66 0.35 1.69 0.00 -1.26 -0.42 105.19 110.33 3gft n GLY 151 Ca 0.21 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 0.05 -0.92 1.61 2.07 -1.73 0.86 116.25 118.20 3gft h VAL 152 Ca 0.00 -0.38 0.11 0.00 0.82 0.00 0.00 66.70 67.25 3gft h VAL 152 Cb 0.07 0.08 -0.08 0.00 -1.52 0.00 0.00 31.29 29.84 3gft h VAL 152 CO 0.00 0.01 0.55 0.44 0.02 0.00 0.00 177.57 178.59 3gft h ASP 153 N -1.20 0.79 -0.79 0.57 3.32 -1.92 -2.81 116.42 114.39 3gft h ASP 153 Ca -0.09 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 3gft h ASP 153 Cb 0.66 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 3gft h ASP 153 CO 0.14 0.43 0.32 -0.78 -1.72 0.00 0.00 179.24 177.63 3gft h ASP 154 N 0.89 1.09 -0.60 6.45 3.58 -1.90 0.17 116.42 126.09 3gft h ASP 154 Ca 0.45 -0.16 -0.07 0.00 0.42 0.00 0.00 57.03 57.67 3gft h ASP 154 Cb 0.44 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 3gft h ASP 154 CO -0.26 0.96 0.10 0.00 -2.88 0.00 0.00 179.24 177.16 3gft h ALA 155 N 1.20 0.79 -0.13 -0.78 0.00 -0.56 -0.47 119.26 119.31 3gft h ALA 155 Ca 0.27 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3gft h ALA 155 Cb 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3gft h ALA 155 CO -0.02 0.54 -0.32 0.74 0.00 0.00 0.00 179.25 180.19 3gft h PHE 156 N 0.89 0.56 -0.44 0.00 0.04 -1.35 -2.35 116.94 114.30 3gft h PHE 156 Ca 0.18 -0.22 -0.10 0.00 2.80 0.00 0.00 57.97 60.64 3gft h PHE 156 Cb 0.42 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 3gft h PHE 156 CO 0.03 0.94 -0.10 1.88 -0.60 0.00 0.00 178.31 180.45 3gft h TYR 157 N 0.03 0.94 -0.86 -0.55 -1.99 -0.61 -1.53 116.97 112.39 3gft h TYR 157 Ca -0.00 -0.20 -0.02 0.00 2.00 0.00 0.00 58.73 60.51 3gft h TYR 157 Cb 0.93 -0.23 -0.04 0.00 2.00 0.00 0.00 36.73 39.39 3gft h TYR 157 CO 0.11 0.94 0.48 1.15 -0.00 0.00 0.00 178.16 180.84 3gft h THR 158 N 0.67 1.25 -0.08 -2.88 2.02 -1.15 -1.16 112.91 111.58 3gft h THR 158 Ca 0.11 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 3gft h THR 158 Cb 0.64 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3gft h THR 158 CO 0.04 0.28 0.03 0.25 0.37 0.00 0.00 175.52 176.49 3gft h LEU 159 N 1.20 0.11 -0.99 2.58 5.85 -1.07 -0.36 115.31 122.63 3gft h LEU 159 Ca 0.30 -0.15 0.13 0.00 0.84 0.00 0.00 57.88 59.01 3gft h LEU 159 Cb 0.02 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 40.93 3gft h LEU 159 CO -0.05 0.23 0.61 0.58 -0.34 0.00 0.00 178.44 179.47 3gft h VAL 160 N -0.01 0.87 -0.14 1.05 2.07 -1.00 -0.48 116.25 118.60 3gft h VAL 160 Ca 0.03 -0.32 -0.10 0.00 0.82 0.00 0.00 66.70 67.13 3gft h VAL 160 Cb 0.15 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.77 3gft h VAL 160 CO -0.00 0.17 -0.37 0.03 0.02 0.00 0.00 177.57 177.42 3gft h ARG 161 N 0.93 0.30 -0.57 1.57 3.08 -0.59 -1.80 114.38 117.29 3gft h ARG 161 Ca 0.51 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 60.32 3gft h ARG 161 Cb 0.57 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 3gft h ARG 161 CO -0.29 0.63 -0.05 0.93 -1.07 0.00 0.00 179.97 180.12 3gft h GLU 162 N 0.26 1.03 -0.39 0.04 4.39 0.31 0.22 114.58 120.43 3gft h GLU 162 Ca 0.03 -0.34 -0.02 0.00 0.34 0.00 0.00 59.36 59.36 3gft h GLU 162 Cb 0.77 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 3gft h GLU 162 CO 0.06 1.03 0.16 0.82 -1.16 0.00 0.00 179.01 179.92 3gft h ILE 163 N 0.93 1.19 -0.34 3.13 2.04 -0.74 -1.89 117.51 121.83 3gft h ILE 163 Ca 0.16 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.40 3gft h ILE 163 Cb 0.60 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3gft h ILE 163 CO 0.04 0.21 0.10 0.03 0.00 0.00 0.00 178.15 178.53 3gft h ARG 164 N 0.48 0.54 -0.60 2.37 3.08 -1.18 0.02 114.38 119.09 3gft h ARG 164 Ca 0.13 -0.12 0.03 0.00 0.07 0.00 0.00 59.98 60.09 3gft h ARG 164 Cb 0.18 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 3gft h ARG 164 CO -0.01 0.57 0.37 0.87 -1.07 0.00 0.00 179.97 180.70 3gft h LYS 165 N 0.40 0.71 0.00 0.04 1.57 -0.84 -3.14 116.57 115.31 3gft h LYS 165 Ca 0.11 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3gft h LYS 165 Cb 0.26 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3gft h LYS 165 CO -0.00 0.47 0.00 1.58 -0.57 0.00 0.00 179.45 180.93 3gft n HIS 166 N -4.73 0.00 1.31 -1.35 -0.00 -0.72 -5.10 115.22 104.63 3gft n HIS 166 Ca 0.05 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.34 3gft n HIS 166 Cb 0.08 -0.37 0.62 0.00 -0.12 0.00 0.00 29.99 30.20 3gft n HIS 166 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16