#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gfq s LEU 4 N 0.00 2.36 -0.11 -0.89 2.96 0.29 -0.88 118.68 122.40 3gfq s LEU 4 Ca 0.00 -0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 53.49 3gfq s LEU 4 Cb 0.00 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.20 3gfq s LEU 4 CO 0.00 0.24 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.50 3gfq s VAL 5 N -0.11 3.56 -0.16 1.68 1.01 0.04 -0.16 120.40 126.26 3gfq s VAL 5 Ca -0.04 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.46 3gfq s VAL 5 Cb -0.14 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.75 3gfq s VAL 5 CO 0.04 0.54 -0.19 -0.63 0.00 0.00 0.00 175.10 174.86 3gfq s ILE 6 N -0.10 2.21 -0.21 2.22 1.01 -0.48 -0.70 121.20 125.15 3gfq s ILE 6 Ca 0.01 -0.91 -0.26 0.00 0.00 0.00 0.00 60.65 59.49 3gfq s ILE 6 Cb -0.13 -1.92 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 3gfq s ILE 6 CO 0.03 0.53 0.86 0.21 0.00 0.00 0.00 174.94 176.58 3gfq s ASN 7 N 1.07 6.93 0.06 3.58 2.47 0.12 -2.07 114.94 127.09 3gfq s ASN 7 Ca -0.01 1.15 0.05 0.00 0.42 0.00 0.00 52.86 54.48 3gfq s ASN 7 Cb -0.14 -2.46 -0.23 0.00 -1.45 0.00 0.00 41.25 36.96 3gfq s ASN 7 CO -0.07 -0.49 1.04 1.23 -3.72 0.00 0.00 177.10 175.10 3gfq h GLY 8 N 8.83 0.08 -4.49 1.21 0.00 -0.71 -2.86 103.07 105.13 3gfq h GLY 8 Ca -0.25 -0.21 -0.53 0.00 0.00 0.00 0.00 47.33 46.33 3gfq h GLY 8 CO 0.87 0.18 0.56 -1.08 0.00 0.00 0.00 176.54 177.08 3gfq s THR 9 N -2.66 4.04 -1.01 4.70 -1.32 -1.26 -4.19 115.64 113.94 3gfq s THR 9 Ca -0.03 1.47 0.28 0.00 -1.21 0.00 0.00 61.69 62.20 3gfq s THR 9 Cb 0.09 -3.94 0.17 0.00 -1.51 0.00 0.00 72.50 67.30 3gfq s THR 9 CO 0.83 0.11 1.76 -2.65 -2.21 0.00 0.00 174.62 172.47 3gfq n PRO 10 N 3.97 0.01 -2.39 7.08 -0.02 -1.26 -3.02 135.00 139.36 3gfq n PRO 10 Ca 0.09 -0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.14 3gfq n PRO 10 Cb 0.46 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.42 3gfq n PRO 10 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3gfq s ARG 11 N -2.99 3.86 0.45 -0.52 0.52 -1.26 -4.34 118.95 114.66 3gfq s ARG 11 Ca 0.13 1.23 0.15 0.00 -0.52 0.00 0.00 55.73 56.72 3gfq s ARG 11 Cb 0.19 -3.91 1.08 0.00 0.52 0.00 0.00 34.95 32.82 3gfq s ARG 11 CO 0.58 -1.20 1.98 0.87 0.02 0.00 0.00 175.30 177.56 3gfq h LYS 12 N 9.58 0.34 -0.63 3.54 1.57 -1.86 0.41 116.57 129.51 3gfq h LYS 12 Ca -0.27 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 3gfq h LYS 12 Cb 1.10 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3gfq h LYS 12 CO 1.04 0.23 0.00 -2.39 -0.57 0.00 0.00 179.45 177.75 3gfq n HIS 13 N -4.46 1.00 -2.25 -1.35 1.44 -1.26 -4.97 115.22 103.37 3gfq n HIS 13 Ca 0.10 -0.38 -0.33 0.00 -2.01 0.00 0.00 57.72 55.10 3gfq n HIS 13 Cb 0.40 -0.22 -0.01 0.00 0.12 0.00 0.00 29.99 30.28 3gfq n HIS 13 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 3gfq s GLY 14 N -0.67 2.15 -0.02 -1.39 0.00 0.14 -5.00 107.32 102.54 3gfq s GLY 14 Ca 0.31 0.34 -0.21 0.00 0.00 0.00 0.00 44.72 45.16 3gfq s GLY 14 CO 0.14 0.64 1.01 3.21 0.00 0.00 0.00 173.10 178.10 3gfq h ARG 15 N 0.78 0.34 -0.91 2.90 3.08 -1.93 -3.19 114.38 115.44 3gfq h ARG 15 Ca -0.47 -0.43 0.25 0.00 0.07 0.00 0.00 59.98 59.39 3gfq h ARG 15 Cb 1.21 0.14 -0.05 0.00 0.08 0.00 0.00 29.97 31.35 3gfq h ARG 15 CO 0.59 1.14 0.64 1.15 -1.07 0.00 0.00 179.97 182.41 3gfq h THR 16 N -0.25 0.58 -0.68 2.04 2.02 -1.94 0.16 112.91 114.83 3gfq h THR 16 Ca -0.09 -0.04 -0.07 0.00 0.77 0.00 0.00 66.41 66.97 3gfq h THR 16 Cb 1.40 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 3gfq h THR 16 CO 0.12 0.02 0.15 -0.09 0.37 0.00 0.00 175.52 176.09 3gfq h ARG 17 N 0.12 1.11 0.30 6.66 2.43 -1.86 -1.55 114.38 121.58 3gfq h ARG 17 Ca 0.45 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3gfq h ARG 17 Cb 1.58 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.00 3gfq h ARG 17 CO -0.06 0.99 -0.14 0.82 -1.51 0.00 0.00 179.97 180.07 3gfq h ILE 18 N 1.04 0.73 -0.66 1.20 2.04 -0.75 -0.62 117.51 120.49 3gfq h ILE 18 Ca 0.21 -0.46 0.11 0.00 1.00 0.00 0.00 64.86 65.72 3gfq h ILE 18 Cb 0.40 0.98 -0.08 0.00 -0.74 0.00 0.00 36.82 37.37 3gfq h ILE 18 CO 0.01 0.09 0.24 0.00 0.00 0.00 0.00 178.15 178.49 3gfq h ALA 19 N -0.05 0.87 0.12 1.87 0.00 -1.48 0.11 119.26 120.70 3gfq h ALA 19 Ca -0.04 0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3gfq h ALA 19 Cb 0.46 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3gfq h ALA 19 CO 0.07 -0.21 -0.25 0.00 0.00 0.00 0.00 179.25 178.86 3gfq h ALA 20 N 1.47 -0.43 -0.38 0.00 0.00 -1.15 -1.26 119.26 117.51 3gfq h ALA 20 Ca 0.34 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.27 3gfq h ALA 20 Cb 0.47 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 3gfq h ALA 20 CO -0.35 -0.79 0.10 0.77 0.00 0.00 0.00 179.25 178.98 3gfq h SER 21 N -0.46 0.07 -0.18 0.00 0.02 -0.36 -0.76 113.55 111.87 3gfq h SER 21 Ca 0.03 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.09 3gfq h SER 21 Cb 0.48 0.06 -0.07 0.00 0.14 0.00 0.00 62.40 63.02 3gfq h SER 21 CO -0.14 0.07 -0.28 0.22 -1.14 0.00 0.00 176.83 175.56 3gfq h TYR 22 N 0.24 -0.77 -0.00 3.45 3.20 -0.49 0.11 116.97 122.71 3gfq h TYR 22 Ca 0.18 0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.12 3gfq h TYR 22 Cb 0.19 0.36 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 3gfq h TYR 22 CO -0.17 -0.36 -0.22 0.82 -1.64 0.00 0.00 178.16 176.59 3gfq h ILE 23 N -0.33 0.49 0.00 1.81 2.04 -0.78 0.30 117.51 121.05 3gfq h ILE 23 Ca 0.11 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 3gfq h ILE 23 Cb 0.50 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3gfq h ILE 23 CO -0.36 0.00 -0.05 0.00 0.00 0.00 0.00 178.15 177.73 3gfq h ALA 24 N 0.54 1.70 0.10 1.87 0.00 -0.60 -1.64 119.26 121.22 3gfq h ALA 24 Ca 0.06 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 3gfq h ALA 24 Cb 0.42 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3gfq h ALA 24 CO -0.20 0.07 -1.11 0.00 0.00 0.00 0.00 179.25 178.00 3gfq h ALA 25 N 1.95 0.11 -0.53 0.00 0.00 -0.18 0.48 119.26 121.08 3gfq h ALA 25 Ca -0.00 -0.95 -0.00 0.00 0.00 0.00 0.00 54.91 53.96 3gfq h ALA 25 Cb 0.11 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3gfq h ALA 25 CO 0.01 0.62 0.33 1.25 0.00 0.00 0.00 179.25 181.46 3gfq h LEU 26 N -0.47 0.62 -2.94 0.00 5.85 -0.08 -2.59 115.31 115.70 3gfq h LEU 26 Ca -0.24 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3gfq h LEU 26 Cb 1.61 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.48 3gfq h LEU 26 CO 0.04 0.47 0.00 -1.22 -0.34 0.00 0.00 178.44 177.39 3gfq n TYR 27 N -4.44 0.43 -4.03 1.25 4.02 -0.65 -5.00 117.16 108.75 3gfq n TYR 27 Ca 0.05 -0.55 -0.34 0.00 -0.01 0.00 0.00 57.90 57.05 3gfq n TYR 27 Cb 0.07 -0.06 -0.02 0.00 -0.02 0.00 0.00 39.34 39.31 3gfq n TYR 27 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3gfq n HIS 28 N 0.21 -1.53 -3.00 -0.72 8.25 -0.68 -4.95 115.22 112.81 3gfq n HIS 28 Ca 0.11 0.47 -0.19 0.00 -0.26 0.00 0.00 57.72 57.85 3gfq n HIS 28 Cb 0.45 -3.19 0.05 0.00 1.12 0.00 0.00 29.99 28.42 3gfq n HIS 28 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3gfq s THR 29 N -3.86 2.44 0.62 1.59 -4.23 0.07 -4.99 115.64 107.28 3gfq s THR 29 Ca 0.22 -0.97 -0.14 0.00 -1.18 0.00 0.00 61.69 59.62 3gfq s THR 29 Cb -0.11 -2.46 -0.02 0.00 1.34 0.00 0.00 72.50 71.25 3gfq s THR 29 CO 0.93 0.00 1.05 -0.62 -0.54 0.00 0.00 174.62 175.45 3gfq s ASP 30 N -4.56 5.70 -0.08 3.99 2.15 -0.06 -4.84 116.67 118.97 3gfq s ASP 30 Ca 0.60 1.72 -0.03 0.00 0.43 0.00 0.00 52.55 55.27 3gfq s ASP 30 Cb -0.07 -2.52 0.04 0.00 -0.30 0.00 0.00 42.92 40.07 3gfq s ASP 30 CO 0.37 -1.22 0.16 -0.22 -0.17 0.00 0.00 175.17 174.09 3gfq s LEU 31 N -4.85 0.46 -0.27 -1.34 2.96 -1.26 -0.78 118.68 113.60 3gfq s LEU 31 Ca 0.61 0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 54.84 3gfq s LEU 31 Cb -0.15 0.38 0.03 0.00 0.50 0.00 0.00 46.19 46.96 3gfq s LEU 31 CO 0.43 -0.18 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.62 3gfq s ILE 32 N 1.50 2.98 -0.51 6.68 1.01 0.12 -4.97 121.20 128.02 3gfq s ILE 32 Ca -0.06 -1.12 -0.11 0.00 0.00 0.00 0.00 60.65 59.36 3gfq s ILE 32 Cb -0.12 -2.58 0.13 0.00 0.01 0.00 0.00 42.46 39.90 3gfq s ILE 32 CO -0.06 0.09 0.41 -0.62 0.00 0.00 0.00 174.94 174.76 3gfq s ASP 33 N 1.31 5.85 0.66 3.58 -1.08 -1.26 -0.70 116.67 125.03 3gfq s ASP 33 Ca -0.02 -1.98 0.39 0.00 -0.52 0.00 0.00 52.55 50.43 3gfq s ASP 33 Cb -0.18 -2.06 2.13 0.00 -1.46 0.00 0.00 42.92 41.36 3gfq s ASP 33 CO -0.03 -0.71 2.22 -0.07 0.52 0.00 0.00 175.17 177.10 3gfq h LEU 34 N 8.45 0.00 -1.73 -1.34 3.38 -1.74 0.97 115.31 123.30 3gfq h LEU 34 Ca -0.20 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3gfq h LEU 34 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3gfq h LEU 34 CO 0.89 0.00 -0.16 -1.28 0.09 0.00 0.00 178.44 177.97 3gfq h SER 35 N 0.00 0.00 0.00 -0.43 0.87 -1.73 -3.29 113.55 108.96 3gfq h SER 35 Ca 0.00 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.41 3gfq h SER 35 Cb 0.24 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 3gfq h SER 35 CO -0.00 0.16 -1.58 -0.62 -0.53 0.00 0.00 176.83 174.26 3gfq n GLU 36 N -3.71 0.25 -1.82 2.24 -0.58 0.14 -4.64 120.64 112.52 3gfq n GLU 36 Ca -0.02 0.06 -0.42 0.00 -0.42 0.00 0.00 57.16 56.36 3gfq n GLU 36 Cb 0.28 -1.19 -0.01 0.00 -0.57 0.00 0.00 31.44 29.95 3gfq n GLU 36 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3gfq n PHE 37 N -2.83 3.55 -2.64 -0.32 7.35 0.29 -4.94 117.46 117.93 3gfq n PHE 37 Ca -0.18 -2.82 -0.43 0.00 -0.76 0.00 0.00 57.45 53.26 3gfq n PHE 37 Cb 0.69 -2.49 -0.02 0.00 0.35 0.00 0.00 39.48 38.01 3gfq n PHE 37 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3gfq s VAL 38 N 3.68 4.44 0.44 -2.13 1.01 -1.26 -4.59 120.40 121.99 3gfq s VAL 38 Ca 0.49 1.60 0.02 0.00 0.00 0.00 0.00 61.98 64.09 3gfq s VAL 38 Cb 0.12 -4.46 0.00 0.00 0.00 0.00 0.00 36.38 32.05 3gfq s VAL 38 CO -0.04 -0.61 0.64 -0.76 0.00 0.00 0.00 175.10 174.34 3gfq s LEU 39 N 3.83 3.65 0.74 3.92 1.43 -1.26 -5.08 118.68 125.92 3gfq s LEU 39 Ca 0.46 0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 53.56 3gfq s LEU 39 Cb -0.11 -3.01 0.04 0.00 0.03 0.00 0.00 46.19 43.13 3gfq s LEU 39 CO 0.19 -0.72 1.11 -2.84 0.23 0.00 0.00 176.35 174.33 3gfq s PRO 40 N -4.50 2.56 -0.01 1.29 0.02 -1.26 -5.00 135.00 128.09 3gfq s PRO 40 Ca 0.49 0.42 -0.30 0.00 0.02 0.00 0.00 61.00 61.63 3gfq s PRO 40 Cb -0.10 -1.99 -0.05 0.00 0.02 0.00 0.00 34.50 32.38 3gfq s PRO 40 CO 0.36 -1.24 1.36 0.08 -0.33 0.00 0.00 177.00 177.23 3gfq s VAL 41 N -3.37 3.81 0.34 3.83 1.01 -1.26 -4.95 120.40 119.81 3gfq s VAL 41 Ca 0.59 1.18 -0.23 0.00 0.00 0.00 0.00 61.98 63.53 3gfq s VAL 41 Cb -0.12 -3.76 -0.16 0.00 0.00 0.00 0.00 36.38 32.35 3gfq s VAL 41 CO 0.52 0.00 0.20 0.33 0.00 0.00 0.00 175.10 176.15 3gfq n PHE 42 N 5.30 -1.62 -1.45 5.22 7.35 -1.26 -4.91 117.46 126.09 3gfq n PHE 42 Ca 0.13 0.70 0.00 0.00 -0.76 0.00 0.00 57.45 57.52 3gfq n PHE 42 Cb 0.44 -1.78 0.00 0.00 0.35 0.00 0.00 39.48 38.49 3gfq n PHE 42 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 3gfq n ASN 43 N 2.19 0.00 -2.26 -2.13 6.94 -1.26 -5.02 115.26 113.72 3gfq n ASN 43 Ca 0.13 -1.21 -0.17 0.00 -0.02 0.00 0.00 54.58 53.31 3gfq n ASN 43 Cb 0.35 -0.04 -0.02 0.00 -2.36 0.00 0.00 39.78 37.71 3gfq n ASN 43 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gfq n GLY 44 N 0.00 -0.14 3.55 4.83 0.00 -1.26 -4.95 105.19 107.21 3gfq n GLY 44 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3gfq n GLY 44 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gfq s GLU 45 N -4.76 2.65 0.25 1.61 2.02 -1.26 -5.03 118.70 114.18 3gfq s GLU 45 Ca 0.00 -0.60 -0.04 0.00 0.02 0.00 0.00 54.97 54.35 3gfq s GLU 45 Cb 0.00 -2.51 0.40 0.00 0.10 0.00 0.00 34.13 32.11 3gfq s GLU 45 CO 0.00 0.65 1.84 0.00 0.02 0.00 0.00 175.26 177.77 3gfq h ALA 46 N 5.25 1.26 -0.48 5.21 0.00 -2.01 -2.31 119.26 126.18 3gfq h ALA 46 Ca -0.48 0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.52 3gfq h ALA 46 Cb 1.17 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 3gfq h ALA 46 CO 0.52 0.24 0.06 0.93 0.00 0.00 0.00 179.25 180.99 3gfq h GLU 47 N 0.95 0.18 -0.88 0.00 3.07 -2.00 0.30 114.58 116.20 3gfq h GLU 47 Ca 0.41 -0.01 0.18 0.00 -0.50 0.00 0.00 59.36 59.44 3gfq h GLU 47 Cb 0.28 -0.04 -0.11 0.00 -0.84 0.00 0.00 28.75 28.04 3gfq h GLU 47 CO -0.21 0.12 0.44 1.96 -1.40 0.00 0.00 179.01 179.91 3gfq h GLN 48 N 0.18 0.53 -0.88 2.33 4.20 -1.85 -0.75 115.11 118.88 3gfq h GLN 48 Ca 0.24 -0.03 0.13 0.00 0.06 0.00 0.00 58.65 59.05 3gfq h GLN 48 Cb 0.34 -0.12 -0.07 0.00 0.30 0.00 0.00 27.48 27.93 3gfq h GLN 48 CO -0.35 0.35 0.57 1.03 -0.67 0.00 0.00 178.83 179.76 3gfq h SER 49 N 0.55 0.67 -0.03 1.46 0.87 -0.90 -0.08 113.55 116.09 3gfq h SER 49 Ca 0.51 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 61.11 3gfq h SER 49 Cb 0.84 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 3gfq h SER 49 CO -0.43 0.35 0.00 -0.62 -0.53 0.00 0.00 176.83 175.60 3gfq n GLU 50 N -4.55 1.18 -1.93 2.24 1.02 -0.29 -4.35 120.64 113.96 3gfq n GLU 50 Ca 0.17 -0.27 -0.37 0.00 -0.02 0.00 0.00 57.16 56.67 3gfq n GLU 50 Cb 0.44 -1.37 0.04 0.00 -0.02 0.00 0.00 31.44 30.53 3gfq n GLU 50 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3gfq s LEU 51 N -1.71 3.70 0.17 -4.62 1.43 -0.05 -4.90 118.68 112.71 3gfq s LEU 51 Ca 0.34 2.51 -0.05 0.00 -1.03 0.00 0.00 54.13 55.90 3gfq s LEU 51 Cb 0.16 -4.52 0.03 0.00 0.03 0.00 0.00 46.19 41.90 3gfq s LEU 51 CO 0.27 -1.64 1.44 0.25 0.23 0.00 0.00 176.35 176.90 3gfq h LEU 52 N 1.00 0.65 -1.04 1.79 5.85 -1.88 -1.94 115.31 119.73 3gfq h LEU 52 Ca -0.51 -0.39 -0.09 0.00 0.84 0.00 0.00 57.88 57.73 3gfq h LEU 52 Cb 1.30 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 3gfq h LEU 52 CO 0.55 1.13 -0.32 0.11 -0.34 0.00 0.00 178.44 179.57 3gfq h LYS 53 N 0.41 0.28 -0.21 1.25 1.57 -1.95 -1.46 116.57 116.44 3gfq h LYS 53 Ca -0.02 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 3gfq h LYS 53 Cb 1.23 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 3gfq h LYS 53 CO 0.12 0.57 -0.19 0.28 -0.57 0.00 0.00 179.45 179.67 3gfq h VAL 54 N 0.24 1.32 -0.50 0.50 2.07 -1.82 -0.91 116.25 117.15 3gfq h VAL 54 Ca 0.03 -1.33 -0.04 0.00 0.82 0.00 0.00 66.70 66.18 3gfq h VAL 54 Cb 0.69 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 3gfq h VAL 54 CO 0.05 0.41 0.18 1.56 0.02 0.00 0.00 177.57 179.79 3gfq h GLN 55 N 0.19 0.77 -0.73 1.57 4.20 -1.23 -1.19 115.11 118.68 3gfq h GLN 55 Ca 0.04 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 3gfq h GLN 55 Cb 0.72 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 3gfq h GLN 55 CO 0.05 0.70 0.39 0.93 -0.67 0.00 0.00 178.83 180.23 3gfq h GLU 56 N 0.68 1.03 0.21 1.46 5.08 -1.27 0.25 114.58 122.02 3gfq h GLU 56 Ca 0.16 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3gfq h GLU 56 Cb 0.24 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3gfq h GLU 56 CO -0.01 0.78 -0.29 1.25 -1.00 0.00 0.00 179.01 179.74 3gfq h LEU 57 N 1.02 -0.80 -0.29 1.33 5.85 -0.82 0.20 115.31 121.79 3gfq h LEU 57 Ca 0.26 0.08 0.03 0.00 0.84 0.00 0.00 57.88 59.08 3gfq h LEU 57 Cb 0.06 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 3gfq h LEU 57 CO -0.04 -0.40 0.12 0.11 -0.34 0.00 0.00 178.44 177.89 3gfq h LYS 58 N -0.56 0.25 0.02 1.25 1.57 -1.03 -2.09 116.57 115.98 3gfq h LYS 58 Ca 0.01 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3gfq h LYS 58 Cb 0.55 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3gfq h LYS 58 CO -0.11 0.16 -0.01 0.37 -0.57 0.00 0.00 179.45 179.29 3gfq h GLN 59 N 0.26 -0.03 -0.27 3.15 4.15 -0.70 -0.20 115.11 121.47 3gfq h GLN 59 Ca 0.12 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.50 3gfq h GLN 59 Cb 0.07 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 3gfq h GLN 59 CO -0.11 0.07 -0.04 0.00 -1.93 0.00 0.00 178.83 176.81 3gfq h ARG 60 N -0.12 0.42 -0.03 1.69 3.08 -0.53 -1.09 114.38 117.79 3gfq h ARG 60 Ca -0.00 -0.09 -0.25 0.00 0.07 0.00 0.00 59.98 59.71 3gfq h ARG 60 Cb 0.11 -0.06 0.02 0.00 0.08 0.00 0.00 29.97 30.12 3gfq h ARG 60 CO 0.01 0.48 -0.96 0.28 -1.07 0.00 0.00 179.97 178.71 3gfq h VAL 61 N 0.40 1.29 -0.33 2.04 2.07 -1.22 -2.92 116.25 117.58 3gfq h VAL 61 Ca 0.09 -2.18 -0.07 0.00 0.82 0.00 0.00 66.70 65.36 3gfq h VAL 61 Cb 0.34 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 3gfq h VAL 61 CO 0.01 0.67 -0.10 0.74 0.02 0.00 0.00 177.57 178.91 3gfq h THR 62 N 0.38 1.23 -0.01 2.57 2.02 -0.71 -2.86 112.91 115.53 3gfq h THR 62 Ca -0.11 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.04 3gfq h THR 62 Cb 1.61 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 3gfq h THR 62 CO 0.19 0.34 -0.11 2.29 0.37 0.00 0.00 175.52 178.60 3gfq n LYS 63 N -4.20 1.05 -2.68 6.66 2.85 -0.44 -4.85 118.16 116.55 3gfq n LYS 63 Ca 0.01 -0.51 -0.41 0.00 -1.05 0.00 0.00 58.31 56.36 3gfq n LYS 63 Cb 0.32 -1.49 -0.05 0.00 -0.65 0.00 0.00 35.03 33.16 3gfq n LYS 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3gfq s ALA 64 N -2.30 3.32 -0.26 0.58 0.00 -1.08 -4.94 121.76 117.07 3gfq s ALA 64 Ca 0.32 0.66 0.21 0.00 0.00 0.00 0.00 51.96 53.15 3gfq s ALA 64 Cb 0.20 -3.27 0.08 0.00 0.00 0.00 0.00 23.12 20.14 3gfq s ALA 64 CO 0.44 0.03 1.22 0.38 0.00 0.00 0.00 175.76 177.82 3gfq h ASP 65 N 4.77 0.00 -4.98 0.00 2.03 -1.88 -3.47 116.42 112.88 3gfq h ASP 65 Ca -0.44 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 55.82 3gfq h ASP 65 Cb 1.21 0.00 -0.16 0.00 -0.83 0.00 0.00 39.33 39.55 3gfq h ASP 65 CO 0.70 0.16 0.21 0.00 -1.03 0.00 0.00 179.24 179.28 3gfq s ALA 66 N -3.20 -1.69 -0.05 4.15 0.00 -1.26 -4.41 121.76 115.30 3gfq s ALA 66 Ca 0.02 0.92 -0.00 0.00 0.00 0.00 0.00 51.96 52.89 3gfq s ALA 66 Cb 0.08 0.42 0.03 0.00 0.00 0.00 0.00 23.12 23.65 3gfq s ALA 66 CO 0.75 -0.57 -0.00 0.42 0.00 0.00 0.00 175.76 176.37 3gfq s ILE 67 N -2.45 0.30 -0.30 0.00 1.01 -0.18 -0.55 121.20 119.03 3gfq s ILE 67 Ca -0.05 0.10 -0.18 0.00 0.00 0.00 0.00 60.65 60.52 3gfq s ILE 67 Cb -0.01 -0.43 -0.02 0.00 0.01 0.00 0.00 42.46 42.02 3gfq s ILE 67 CO -0.02 0.21 0.52 -0.69 0.00 0.00 0.00 174.94 174.96 3gfq s VAL 68 N 1.52 5.04 -0.36 2.92 1.01 0.77 -1.26 120.40 130.04 3gfq s VAL 68 Ca -0.02 0.63 -0.11 0.00 0.00 0.00 0.00 61.98 62.48 3gfq s VAL 68 Cb -0.13 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.38 3gfq s VAL 68 CO -0.03 -0.06 0.20 -0.22 0.00 0.00 0.00 175.10 174.99 3gfq s LEU 69 N 2.37 4.61 -0.10 3.92 2.96 0.44 -1.38 118.68 131.49 3gfq s LEU 69 Ca 0.20 -0.91 -0.00 0.00 -0.22 0.00 0.00 54.13 53.20 3gfq s LEU 69 Cb -0.15 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 3gfq s LEU 69 CO 0.11 -0.35 -0.07 -0.76 -1.32 0.00 0.00 176.35 173.96 3gfq s LEU 70 N 1.56 3.15 -0.12 -0.68 1.02 -0.88 -0.75 118.68 121.98 3gfq s LEU 70 Ca 0.02 -0.08 -0.11 0.00 0.02 0.00 0.00 54.13 53.99 3gfq s LEU 70 Cb -0.19 -1.71 0.04 0.00 0.02 0.00 0.00 46.19 44.35 3gfq s LEU 70 CO 0.07 0.30 0.33 -0.55 0.02 0.00 0.00 176.35 176.51 3gfq s SER 71 N -0.41 -0.35 0.54 2.29 0.15 -0.62 0.04 113.70 115.33 3gfq s SER 71 Ca 0.06 0.67 -0.18 0.00 0.70 0.00 0.00 55.95 57.19 3gfq s SER 71 Cb -0.12 0.65 -0.06 0.00 -1.71 0.00 0.00 66.02 64.78 3gfq s SER 71 CO 0.02 -0.12 1.06 -2.16 1.20 0.00 0.00 173.24 173.24 3gfq s PRO 72 N 0.38 3.54 -0.37 5.44 0.04 -1.26 -1.07 135.00 141.70 3gfq s PRO 72 Ca -0.02 1.34 -0.29 0.00 0.04 0.00 0.00 61.00 62.07 3gfq s PRO 72 Cb -0.04 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.47 3gfq s PRO 72 CO -0.02 -0.64 1.12 -2.00 0.04 0.00 0.00 177.00 175.50 3gfq s GLU 73 N -3.56 3.93 -0.32 4.56 2.12 -0.25 -3.63 118.70 121.55 3gfq s GLU 73 Ca 0.67 0.92 -0.04 0.00 0.36 0.00 0.00 54.97 56.88 3gfq s GLU 73 Cb -0.17 -3.81 0.05 0.00 0.26 0.00 0.00 34.13 30.45 3gfq s GLU 73 CO 0.27 -1.09 0.05 0.71 -0.54 0.00 0.00 175.26 174.65 3gfq s TYR 74 N 4.02 3.26 -1.34 5.30 4.12 0.54 -4.68 117.35 128.56 3gfq s TYR 74 Ca 0.48 -1.67 -0.01 0.00 0.02 0.00 0.00 57.07 55.88 3gfq s TYR 74 Cb -0.11 -2.19 0.01 0.00 -1.52 0.00 0.00 41.96 38.15 3gfq s TYR 74 CO 0.22 -0.77 0.69 0.72 0.02 0.00 0.00 175.55 176.42 3gfq n HIS 75 N 4.71 -1.91 -3.57 2.71 8.25 -1.26 -1.91 115.22 122.24 3gfq n HIS 75 Ca -0.13 0.83 -0.26 0.00 -0.26 0.00 0.00 57.72 57.91 3gfq n HIS 75 Cb 0.44 -4.27 0.05 0.00 1.12 0.00 0.00 29.99 27.33 3gfq n HIS 75 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3gfq n SER 76 N -3.03 -5.62 -3.80 0.41 7.64 -1.26 -4.97 113.62 103.00 3gfq n SER 76 Ca -0.27 -0.55 -0.09 0.00 1.01 0.00 0.00 58.87 58.96 3gfq n SER 76 Cb 0.67 -4.47 -0.04 0.00 -1.01 0.00 0.00 64.21 59.35 3gfq n SER 76 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3gfq s GLY 77 N -3.14 0.01 0.96 0.23 0.00 -0.80 -4.13 107.32 100.46 3gfq s GLY 77 Ca 0.54 -0.34 -0.12 0.00 0.00 0.00 0.00 44.72 44.81 3gfq s GLY 77 CO 0.67 -0.29 1.09 -3.16 0.00 0.00 0.00 173.10 171.40 3gfq s MET 78 N -3.90 0.68 0.62 2.90 0.00 -1.26 -0.34 119.30 118.00 3gfq s MET 78 Ca 0.12 0.97 -0.19 0.00 0.00 0.00 0.00 55.69 56.59 3gfq s MET 78 Cb -0.02 -1.73 -0.02 0.00 0.00 0.00 0.00 34.83 33.06 3gfq s MET 78 CO 0.01 -2.68 1.27 -1.54 0.00 0.00 0.00 175.02 172.08 3gfq s SER 79 N -3.06 4.83 0.33 -1.18 1.04 -1.24 -4.54 113.70 109.88 3gfq s SER 79 Ca 0.65 2.56 0.11 0.00 0.48 0.00 0.00 55.95 59.75 3gfq s SER 79 Cb -0.21 -2.61 0.57 0.00 0.10 0.00 0.00 66.02 63.87 3gfq s SER 79 CO 0.59 -1.85 1.74 1.23 0.98 0.00 0.00 173.24 175.93 3gfq h GLY 80 N 0.72 0.04 0.95 7.32 0.00 -1.92 -1.74 103.07 108.44 3gfq h GLY 80 Ca -0.51 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 3gfq h GLY 80 CO 0.54 0.04 0.18 0.00 0.00 0.00 0.00 176.54 177.30 3gfq h ALA 81 N 1.51 0.54 -0.10 3.60 0.00 -1.91 0.15 119.26 123.05 3gfq h ALA 81 Ca -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3gfq h ALA 81 Cb 0.82 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3gfq h ALA 81 CO 0.06 0.12 0.00 1.25 0.00 0.00 0.00 179.25 180.68 3gfq h LEU 82 N 0.53 0.17 -0.79 0.00 5.85 -1.67 -2.36 115.31 117.03 3gfq h LEU 82 Ca 0.14 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 3gfq h LEU 82 Cb 0.15 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3gfq h LEU 82 CO -0.02 0.43 0.48 0.50 -0.34 0.00 0.00 178.44 179.49 3gfq h LYS 83 N -0.10 1.07 -0.61 1.25 1.63 -1.26 -1.31 116.57 117.23 3gfq h LYS 83 Ca 0.03 -0.09 0.06 0.00 -0.85 0.00 0.00 60.65 59.79 3gfq h LYS 83 Cb 0.34 -0.23 -0.05 0.00 -0.60 0.00 0.00 32.23 31.69 3gfq h LYS 83 CO 0.00 0.75 0.32 -0.97 -3.45 0.00 0.00 179.45 176.10 3gfq h ASN 84 N 1.08 0.45 -0.83 4.20 -1.24 -0.91 -0.49 115.58 117.84 3gfq h ASN 84 Ca 0.28 0.04 0.01 0.00 0.71 0.00 0.00 56.30 57.34 3gfq h ASN 84 Cb -0.05 -0.05 -0.04 0.00 0.73 0.00 0.00 38.32 38.91 3gfq h ASN 84 CO -0.05 0.29 0.55 0.00 -1.29 0.00 0.00 177.43 176.93 3gfq h ALA 85 N 1.34 1.06 -0.24 1.57 0.00 -0.85 -2.19 119.26 119.95 3gfq h ALA 85 Ca 0.28 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3gfq h ALA 85 Cb 0.21 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3gfq h ALA 85 CO -0.19 0.44 -0.02 -0.07 0.00 0.00 0.00 179.25 179.41 3gfq h LEU 86 N 1.11 0.33 -2.00 0.00 3.38 -0.16 -2.35 115.31 115.63 3gfq h LEU 86 Ca 0.31 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 3gfq h LEU 86 Cb -0.10 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3gfq h LEU 86 CO -0.08 0.41 -0.10 0.44 0.09 0.00 0.00 178.44 179.20 3gfq h ASP 87 N 0.35 0.00 0.89 -0.43 3.32 -0.46 -0.44 116.42 119.65 3gfq h ASP 87 Ca 0.08 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 3gfq h ASP 87 Cb 0.27 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3gfq h ASP 87 CO 0.01 0.10 -0.34 -0.26 -1.72 0.00 0.00 179.24 177.03 3gfq h PHE 88 N 0.00 0.00 -5.44 4.55 -1.00 -1.40 -3.46 116.94 110.19 3gfq h PHE 88 Ca -0.00 0.00 -0.30 0.00 2.81 0.00 0.00 57.97 60.48 3gfq h PHE 88 Cb 0.28 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.85 3gfq h PHE 88 CO 0.00 0.34 -0.06 1.28 -1.61 0.00 0.00 178.31 178.25 3gfq n LEU 89 N -3.48 0.00 0.00 1.54 4.77 -0.18 -5.04 117.00 114.60 3gfq n LEU 89 Ca -0.00 -1.52 -0.04 0.00 -0.03 0.00 0.00 56.01 54.42 3gfq n LEU 89 Cb 0.50 -0.21 0.01 0.00 -2.33 0.00 0.00 43.42 41.39 3gfq n LEU 89 CO 0.36 -0.59 0.19 -1.54 -1.33 0.00 0.00 177.39 174.48 3gfq n SER 90 N -2.47 -0.87 0.07 -1.43 3.41 -1.26 -4.99 113.62 106.08 3gfq n SER 90 Ca 0.07 -1.66 0.06 0.00 -0.26 0.00 0.00 58.87 57.08 3gfq n SER 90 Cb 0.36 1.47 0.28 0.00 -0.26 0.00 0.00 64.21 66.06 3gfq n SER 90 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3gfq n SER 91 N -1.32 0.25 0.25 4.04 3.41 -1.26 -1.73 113.62 117.27 3gfq n SER 91 Ca -0.03 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 3gfq n SER 91 Cb 0.24 -0.64 0.61 0.00 -0.26 0.00 0.00 64.21 64.16 3gfq n SER 91 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3gfq h GLU 92 N 0.00 0.00 0.00 4.33 4.81 -1.94 0.28 114.58 122.06 3gfq h GLU 92 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3gfq h GLU 92 Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 3gfq h GLU 92 CO 0.00 0.16 -0.92 1.04 -0.73 0.00 0.00 179.01 178.56 3gfq n GLN 93 N -3.44 2.10 -0.00 1.92 3.00 -0.70 -4.69 117.38 115.56 3gfq n GLN 93 Ca -0.01 -0.04 0.04 0.00 -0.01 0.00 0.00 57.00 56.99 3gfq n GLN 93 Cb 0.33 -1.15 -0.06 0.00 0.00 0.00 0.00 30.24 29.37 3gfq n GLN 93 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3gfq n PHE 94 N -1.51 0.00 -1.57 1.08 3.01 -1.06 -4.48 117.46 112.93 3gfq n PHE 94 Ca 0.01 0.00 -0.53 0.00 1.01 0.00 0.00 57.45 57.94 3gfq n PHE 94 Cb 0.23 -0.10 -0.07 0.00 -0.01 0.00 0.00 39.48 39.54 3gfq n PHE 94 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3gfq n LYS 95 N -1.49 1.24 -1.09 -1.08 4.81 0.95 0.02 118.16 121.52 3gfq n LYS 95 Ca 0.00 0.41 -0.03 0.00 -0.87 0.00 0.00 58.31 57.82 3gfq n LYS 95 Cb 0.18 -2.33 -0.01 0.00 0.02 0.00 0.00 35.03 32.89 3gfq n LYS 95 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3gfq n TYR 96 N 7.68 0.00 -2.22 5.64 4.01 0.50 -4.95 117.16 127.82 3gfq n TYR 96 Ca 0.34 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.65 3gfq n TYR 96 Cb 0.19 -1.38 -0.02 0.00 -0.31 0.00 0.00 39.34 37.82 3gfq n TYR 96 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3gfq s LYS 97 N -1.61 4.04 -0.09 -0.72 2.47 0.10 -4.36 119.74 119.58 3gfq s LYS 97 Ca 0.00 1.74 -0.29 0.00 -1.56 0.00 0.00 55.97 55.86 3gfq s LYS 97 Cb 0.00 -3.92 -0.07 0.00 -1.46 0.00 0.00 37.83 32.38 3gfq s LYS 97 CO 0.00 -0.98 2.10 -2.30 0.16 0.00 0.00 175.35 174.34 3gfq n PRO 98 N 7.16 2.42 -4.62 4.03 -0.02 -1.26 -0.14 135.00 142.56 3gfq n PRO 98 Ca 0.16 0.79 -0.23 0.00 -2.02 0.00 0.00 63.50 62.20 3gfq n PRO 98 Cb 0.45 -3.13 -0.16 0.00 -0.02 0.00 0.00 33.50 30.64 3gfq n PRO 98 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gfq s VAL 99 N 6.42 1.12 0.00 -1.45 1.01 -0.86 -1.01 120.40 125.64 3gfq s VAL 99 Ca 0.95 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 62.43 3gfq s VAL 99 Cb -0.38 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 3gfq s VAL 99 CO 0.39 0.33 -0.09 0.00 0.00 0.00 0.00 175.10 175.73 3gfq s ALA 100 N 0.15 2.91 -0.02 5.51 0.00 -0.39 -1.70 121.76 128.22 3gfq s ALA 100 Ca -0.04 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 50.90 3gfq s ALA 100 Cb -0.10 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 3gfq s ALA 100 CO 0.01 0.60 -0.05 -0.51 0.00 0.00 0.00 175.76 175.82 3gfq s LEU 101 N -1.32 3.27 -0.11 0.00 1.43 -1.26 -0.42 118.68 120.27 3gfq s LEU 101 Ca 0.16 -0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 53.13 3gfq s LEU 101 Cb -0.11 -1.83 0.04 0.00 0.03 0.00 0.00 46.19 44.32 3gfq s LEU 101 CO 0.06 0.31 0.25 -0.76 0.23 0.00 0.00 176.35 176.44 3gfq s LEU 102 N -1.28 0.48 -0.10 1.79 1.43 0.07 -1.88 118.68 119.19 3gfq s LEU 102 Ca 0.16 0.54 0.01 0.00 -1.03 0.00 0.00 54.13 53.81 3gfq s LEU 102 Cb -0.11 0.78 0.02 0.00 0.03 0.00 0.00 46.19 46.90 3gfq s LEU 102 CO 0.06 -0.16 -0.13 0.00 0.23 0.00 0.00 176.35 176.36 3gfq s ALA 103 N 1.11 1.52 -0.32 4.21 0.00 -0.67 -1.59 121.76 126.02 3gfq s ALA 103 Ca -0.08 -0.63 -0.21 0.00 0.00 0.00 0.00 51.96 51.04 3gfq s ALA 103 Cb -0.09 -0.81 -0.00 0.00 0.00 0.00 0.00 23.12 22.22 3gfq s ALA 103 CO -0.07 -0.13 0.67 0.08 0.00 0.00 0.00 175.76 176.30 3gfq s VAL 104 N 1.12 4.88 0.06 0.00 1.01 -0.23 -1.16 120.40 126.08 3gfq s VAL 104 Ca -0.05 0.85 -0.16 0.00 0.00 0.00 0.00 61.98 62.61 3gfq s VAL 104 Cb -0.14 -4.06 0.03 0.00 0.00 0.00 0.00 36.38 32.21 3gfq s VAL 104 CO -0.03 -0.23 0.37 0.00 0.00 0.00 0.00 175.10 175.22 3gfq s ALA 105 N 2.73 -0.87 0.49 5.51 0.00 -0.48 -1.09 121.76 128.04 3gfq s ALA 105 Ca 0.27 0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.39 3gfq s ALA 105 Cb -0.15 0.41 0.04 0.00 0.00 0.00 0.00 23.12 23.42 3gfq s ALA 105 CO 0.13 -0.48 0.32 0.41 0.00 0.00 0.00 175.76 176.14 3gfq n GLY 106 N 0.37 2.89 2.19 0.00 0.00 -1.26 -3.60 105.19 105.78 3gfq n GLY 106 Ca -0.18 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.55 3gfq n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gfq n GLY 107 N -0.86 -5.16 0.24 -0.02 0.00 -1.26 -3.53 105.19 94.60 3gfq n GLY 107 Ca -0.04 -0.06 0.22 0.00 0.00 0.00 0.00 46.02 46.14 3gfq n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gfq n GLY 108 N 1.92 -0.47 0.27 -0.02 0.00 -1.26 0.21 105.19 105.83 3gfq n GLY 108 Ca 0.00 0.46 -0.09 0.00 0.00 0.00 0.00 46.02 46.39 3gfq n GLY 108 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3gfq h LEU 109 N 0.00 0.88-10.38 0.99 6.46 -2.01 -3.46 115.31 107.79 3gfq h LEU 109 Ca 0.51 -0.33 -0.51 0.00 -0.12 0.00 0.00 57.88 57.43 3gfq h LEU 109 Cb 1.54 -0.24 0.07 0.00 -0.73 0.00 0.00 40.66 41.30 3gfq h LEU 109 CO -0.34 1.08 0.41 -0.83 -0.62 0.00 0.00 178.44 178.13 3gfq s GLY 110 N -3.82 1.65 0.00 3.75 0.00 0.13 -4.42 107.32 104.62 3gfq s GLY 110 Ca -0.10 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.50 3gfq s GLY 110 CO 0.85 0.18 0.00 0.61 0.00 0.00 0.00 173.10 174.75 3gfq n GLY 111 N -2.64 2.85 0.25 0.20 0.00 -1.26 -4.76 105.19 99.83 3gfq n GLY 111 Ca 0.07 -1.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.00 3gfq n GLY 111 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gfq h ILE 112 N 0.00 1.28 -0.56 -0.61 1.08 -1.95 -2.58 117.51 114.17 3gfq h ILE 112 Ca 0.00 -1.40 -0.10 0.00 -0.39 0.00 0.00 64.86 62.96 3gfq h ILE 112 Cb 0.00 1.31 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 3gfq h ILE 112 CO 0.00 0.46 -0.05 0.78 -0.69 0.00 0.00 178.15 178.65 3gfq h ASN 113 N 0.62 0.99 -0.15 1.72 2.35 -1.90 -0.89 115.58 118.33 3gfq h ASN 113 Ca 0.08 -0.30 -0.13 0.00 -0.55 0.00 0.00 56.30 55.40 3gfq h ASN 113 Cb 0.79 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 3gfq h ASN 113 CO 0.07 1.07 -0.33 0.00 -1.65 0.00 0.00 177.43 176.59 3gfq h ALA 114 N 1.02 0.86 -0.29 -0.83 0.00 -1.69 -2.25 119.26 116.08 3gfq h ALA 114 Ca 0.15 -0.41 -0.19 0.00 0.00 0.00 0.00 54.91 54.47 3gfq h ALA 114 Cb 0.60 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3gfq h ALA 114 CO 0.04 0.63 -0.56 -0.07 0.00 0.00 0.00 179.25 179.30 3gfq h LEU 115 N 0.55 0.99 -1.67 0.00 3.38 -1.25 0.15 115.31 117.46 3gfq h LEU 115 Ca 0.06 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 3gfq h LEU 115 Cb 0.83 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3gfq h LEU 115 CO 0.07 1.34 -0.14 0.78 0.09 0.00 0.00 178.44 180.58 3gfq h ASN 116 N 0.68 0.03 -0.09 -0.43 2.35 -1.12 0.22 115.58 117.23 3gfq h ASN 116 Ca 0.01 -0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.58 3gfq h ASN 116 Cb 1.17 -0.01 0.01 0.00 0.05 0.00 0.00 38.32 39.54 3gfq h ASN 116 CO 0.12 0.18 -0.64 -1.13 -1.65 0.00 0.00 177.43 174.31 3gfq h ASN 117 N 0.04 0.72 -0.13 5.81 -0.00 -1.08 -1.65 115.58 119.29 3gfq h ASN 117 Ca 0.01 -0.67 -0.12 0.00 -0.00 0.00 0.00 56.30 55.52 3gfq h ASN 117 Cb 0.27 -0.21 -0.01 0.00 -0.00 0.00 0.00 38.32 38.36 3gfq h ASN 117 CO 0.02 1.28 -0.31 0.24 -0.00 0.00 0.00 177.43 178.66 3gfq h MET 118 N 0.21 0.62 -0.14 6.67 2.86 -0.45 -1.79 114.93 122.91 3gfq h MET 118 Ca -0.06 -0.27 -0.22 0.00 -2.06 0.00 0.00 59.70 57.09 3gfq h MET 118 Cb 1.30 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.95 3gfq h MET 118 CO 0.13 0.85 -0.78 -0.09 1.06 0.00 0.00 176.91 178.08 3gfq h ARG 119 N 0.53 0.74 -0.29 1.72 2.43 -0.62 -1.30 114.38 117.58 3gfq h ARG 119 Ca 0.06 -0.60 -0.05 0.00 -0.81 0.00 0.00 59.98 58.57 3gfq h ARG 119 Cb 0.79 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 3gfq h ARG 119 CO 0.06 1.21 -0.03 1.15 -1.51 0.00 0.00 179.97 180.86 3gfq h THR 120 N 0.50 1.27 -0.31 0.20 2.02 -1.25 -2.09 112.91 113.24 3gfq h THR 120 Ca -0.05 -1.01 -0.10 0.00 0.77 0.00 0.00 66.41 66.02 3gfq h THR 120 Cb 1.40 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 69.14 3gfq h THR 120 CO 0.16 0.32 -0.18 0.58 0.37 0.00 0.00 175.52 176.77 3gfq h VAL 121 N 0.32 1.29 -0.11 3.16 2.07 -1.38 -1.72 116.25 119.89 3gfq h VAL 121 Ca 0.08 -1.30 -0.03 0.00 0.82 0.00 0.00 66.70 66.27 3gfq h VAL 121 Cb 0.49 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 3gfq h VAL 121 CO 0.02 0.42 -0.06 0.24 0.02 0.00 0.00 177.57 178.21 3gfq h MET 122 N 0.43 0.16 0.00 1.57 2.07 -1.24 0.15 114.93 118.07 3gfq h MET 122 Ca 0.07 -0.02 -0.05 0.00 -2.07 0.00 0.00 59.70 57.62 3gfq h MET 122 Cb 0.72 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 30.41 3gfq h MET 122 CO 0.05 0.23 -0.24 -0.09 1.07 0.00 0.00 176.91 177.93 3gfq h ARG 123 N 0.16 0.00 0.00 1.72 2.43 -1.18 -1.00 114.38 116.51 3gfq h ARG 123 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3gfq h ARG 123 Cb 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3gfq h ARG 123 CO 0.01 0.24 0.00 0.78 -1.51 0.00 0.00 179.97 179.49 3gfq h GLY 124 N 3.02 0.00 -0.43 2.80 0.00 0.24 -2.47 103.07 106.24 3gfq h GLY 124 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 3gfq h GLY 124 CO 0.03 0.00 -0.03 3.33 0.00 0.00 0.00 176.54 179.87 3gfq n VAL 125 N -2.44 2.01 -2.67 4.60 0.24 -1.04 -4.83 118.33 114.19 3gfq n VAL 125 Ca 0.02 -2.26 -0.21 0.00 -2.04 0.00 0.00 64.34 59.84 3gfq n VAL 125 Cb 0.26 -0.25 0.01 0.00 -1.47 0.00 0.00 33.84 32.40 3gfq n VAL 125 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3gfq n TYR 126 N -1.23 -1.43 -2.67 6.34 4.02 -0.93 -3.67 117.16 117.60 3gfq n TYR 126 Ca 0.18 0.22 -0.34 0.00 -0.01 0.00 0.00 57.90 57.94 3gfq n TYR 126 Cb 0.70 -4.17 -0.05 0.00 -0.02 0.00 0.00 39.34 35.80 3gfq n TYR 126 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3gfq s ALA 127 N -3.09 3.01 -1.25 -0.72 0.00 -0.41 -0.37 121.76 118.93 3gfq s ALA 127 Ca 0.13 0.55 -0.13 0.00 0.00 0.00 0.00 51.96 52.50 3gfq s ALA 127 Cb -0.06 -3.21 0.15 0.00 0.00 0.00 0.00 23.12 20.00 3gfq s ALA 127 CO 0.16 -0.08 1.61 -1.71 0.00 0.00 0.00 175.76 175.74 3gfq n ASN 128 N -0.50 5.10 -4.62 0.00 5.15 0.80 -4.65 115.26 116.54 3gfq n ASN 128 Ca 0.07 -2.99 -0.43 0.00 -0.60 0.00 0.00 54.58 50.62 3gfq n ASN 128 Cb 0.52 -1.58 -0.02 0.00 -0.53 0.00 0.00 39.78 38.17 3gfq n ASN 128 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3gfq s VAL 129 N 1.72 3.88 0.84 3.44 1.01 -1.26 -2.02 120.40 128.02 3gfq s VAL 129 Ca 0.44 0.97 -0.12 0.00 0.00 0.00 0.00 61.98 63.27 3gfq s VAL 129 Cb 0.02 -3.97 0.10 0.00 0.00 0.00 0.00 36.38 32.53 3gfq s VAL 129 CO 0.01 -0.47 1.18 0.27 0.00 0.00 0.00 175.10 176.10 3gfq s ILE 130 N 5.08 2.07 0.26 2.22 -4.36 -0.69 -4.93 121.20 120.85 3gfq s ILE 130 Ca 0.64 0.03 -0.03 0.00 -0.26 0.00 0.00 60.65 61.03 3gfq s ILE 130 Cb -0.19 -2.30 0.14 0.00 1.25 0.00 0.00 42.46 41.35 3gfq s ILE 130 CO 0.28 -0.03 1.78 -0.65 0.24 0.00 0.00 174.94 176.57 3gfq h PRO 131 N -1.24 0.89 -6.38 0.37 0.11 -1.94 -3.43 132.00 120.38 3gfq h PRO 131 Ca -0.45 -0.20 -0.54 0.00 0.11 0.00 0.00 66.00 64.91 3gfq h PRO 131 Cb 1.29 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3gfq h PRO 131 CO 0.45 0.82 0.87 0.21 -0.21 0.00 0.00 178.00 180.14 3gfq s LYS 132 N -5.17 4.26 -0.00 1.05 2.47 -1.26 -5.02 119.74 116.07 3gfq s LYS 132 Ca -0.10 2.04 -0.03 0.00 -1.56 0.00 0.00 55.97 56.31 3gfq s LYS 132 Cb 0.15 -3.59 -0.00 0.00 -1.46 0.00 0.00 37.83 32.92 3gfq s LYS 132 CO 0.81 -0.62 0.06 1.14 0.16 0.00 0.00 175.35 176.91 3gfq s GLN 133 N 2.52 0.28 0.27 4.03 -2.07 -1.26 -4.14 119.66 119.29 3gfq s GLN 133 Ca 0.66 -0.27 0.12 0.00 -1.82 0.00 0.00 55.36 54.04 3gfq s GLN 133 Cb -0.33 0.11 -0.05 0.00 -1.09 0.00 0.00 33.01 31.66 3gfq s GLN 133 CO 0.27 -0.06 -0.17 -0.51 -1.32 0.00 0.00 175.29 173.51 3gfq s LEU 134 N -0.87 2.68 -0.14 2.60 1.43 -0.79 -5.01 118.68 118.58 3gfq s LEU 134 Ca -0.10 -0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 52.05 3gfq s LEU 134 Cb -0.06 -1.21 0.04 0.00 0.03 0.00 0.00 46.19 44.99 3gfq s LEU 134 CO 0.00 0.04 -0.05 -0.69 0.23 0.00 0.00 176.35 175.88 3gfq s VAL 135 N -2.40 1.00 -0.26 -1.59 1.01 -1.26 -1.67 120.40 115.22 3gfq s VAL 135 Ca 0.29 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.70 3gfq s VAL 135 Cb -0.06 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 3gfq s VAL 135 CO 0.15 0.19 0.17 -0.76 0.00 0.00 0.00 175.10 174.85 3gfq s LEU 136 N 1.69 3.99 0.11 3.92 1.43 -0.31 -4.94 118.68 124.58 3gfq s LEU 136 Ca 0.02 0.00 -0.24 0.00 -1.03 0.00 0.00 54.13 52.88 3gfq s LEU 136 Cb -0.14 -2.10 -0.07 0.00 0.03 0.00 0.00 46.19 43.91 3gfq s LEU 136 CO -0.08 -0.01 0.74 -0.62 0.23 0.00 0.00 176.35 176.61 3gfq s ASP 137 N 1.54 7.28 0.53 2.29 -1.08 -1.24 -1.39 116.67 124.61 3gfq s ASP 137 Ca 0.07 1.52 0.33 0.00 -0.52 0.00 0.00 52.55 53.95 3gfq s ASP 137 Cb -0.15 -2.47 1.49 0.00 -1.46 0.00 0.00 42.92 40.33 3gfq s ASP 137 CO 0.08 0.16 1.84 -0.65 0.52 0.00 0.00 175.17 177.12 3gfq h PRO 138 N 4.77 0.03 -0.02 4.34 0.11 -1.93 0.45 132.00 139.75 3gfq h PRO 138 Ca -0.46 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3gfq h PRO 138 Cb 1.21 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3gfq h PRO 138 CO 0.67 0.02 -0.03 -0.24 -0.21 0.00 0.00 178.00 178.21 3gfq h VAL 139 N 0.03 1.04 -0.35 3.15 3.04 -1.93 -1.49 116.25 119.74 3gfq h VAL 139 Ca 0.51 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 66.03 3gfq h VAL 139 Cb 1.98 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 32.32 3gfq h VAL 139 CO -0.03 0.05 0.00 1.41 -1.01 0.00 0.00 177.57 177.99 3gfq n HIS 140 N -4.48 0.90 -3.79 3.17 8.25 0.16 -4.74 115.22 114.69 3gfq n HIS 140 Ca -0.03 -0.34 -0.27 0.00 -0.26 0.00 0.00 57.72 56.82 3gfq n HIS 140 Cb 0.13 -0.19 -0.16 0.00 1.12 0.00 0.00 29.99 30.88 3gfq n HIS 140 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3gfq s ILE 141 N -1.76 0.72 -0.52 1.59 1.01 -0.56 -0.07 121.20 121.61 3gfq s ILE 141 Ca 0.29 -0.56 -0.21 0.00 0.00 0.00 0.00 60.65 60.16 3gfq s ILE 141 Cb 0.19 -1.10 0.05 0.00 0.01 0.00 0.00 42.46 41.61 3gfq s ILE 141 CO 0.13 -0.08 0.75 -0.62 0.00 0.00 0.00 174.94 175.11 3gfq s ASP 142 N 1.78 6.27 0.02 3.58 -1.08 0.15 -4.94 116.67 122.45 3gfq s ASP 142 Ca -0.00 -0.68 -0.19 0.00 -0.52 0.00 0.00 52.55 51.15 3gfq s ASP 142 Cb -0.16 -2.35 -0.23 0.00 -1.46 0.00 0.00 42.92 38.72 3gfq s ASP 142 CO -0.07 -1.02 1.13 1.62 0.52 0.00 0.00 175.17 177.34 3gfq h VAL 143 N 5.92 1.41 -0.84 1.11 3.04 -1.94 0.26 116.25 125.21 3gfq h VAL 143 Ca -0.27 -2.05 -0.02 0.00 -1.01 0.00 0.00 66.70 63.35 3gfq h VAL 143 Cb 1.09 2.52 -0.04 0.00 -2.01 0.00 0.00 31.29 32.85 3gfq h VAL 143 CO 1.01 0.60 0.43 -0.33 -1.01 0.00 0.00 177.57 178.28 3gfq h GLU 144 N -0.04 1.19 -0.00 4.17 5.08 -1.96 -1.00 114.58 122.02 3gfq h GLU 144 Ca -0.07 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3gfq h GLU 144 Cb 1.31 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3gfq h GLU 144 CO 0.12 0.90 -0.22 0.09 -1.00 0.00 0.00 179.01 178.90 3gfq n ASN 145 N -4.35 0.54 -3.43 1.42 3.02 -1.23 -4.98 115.26 106.26 3gfq n ASN 145 Ca 0.08 -0.42 -0.17 0.00 -0.03 0.00 0.00 54.58 54.04 3gfq n ASN 145 Cb 0.12 -0.01 0.03 0.00 -0.61 0.00 0.00 39.78 39.31 3gfq n ASN 145 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gfq n ALA 146 N -1.09 -2.57 -3.75 5.41 0.00 0.67 -5.01 120.51 114.17 3gfq n ALA 146 Ca 0.11 -0.11 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3gfq n ALA 146 Cb 0.32 -2.94 -0.02 0.00 0.00 0.00 0.00 19.45 16.80 3gfq n ALA 146 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3gfq s THR 147 N -3.21 0.00 0.17 0.00 -1.32 0.15 -5.00 115.64 106.42 3gfq s THR 147 Ca 0.23 -0.70 0.07 0.00 -1.21 0.00 0.00 61.69 60.09 3gfq s THR 147 Cb -0.07 -1.81 -0.04 0.00 -1.51 0.00 0.00 72.50 69.07 3gfq s THR 147 CO 0.81 0.00 0.02 0.68 -2.21 0.00 0.00 174.62 173.92 3gfq s VAL 148 N -3.62 3.86 0.87 5.08 -7.23 -1.26 0.34 120.40 118.44 3gfq s VAL 148 Ca 0.10 -1.35 -0.12 0.00 -1.81 0.00 0.00 61.98 58.79 3gfq s VAL 148 Cb -0.03 -2.94 0.08 0.00 0.56 0.00 0.00 36.38 34.04 3gfq s VAL 148 CO 0.02 -0.10 0.89 0.00 -0.31 0.00 0.00 175.10 175.60 3gfq n ALA 149 N -0.14 -1.14 0.22 1.32 0.00 0.91 -4.88 120.51 116.80 3gfq n ALA 149 Ca -0.09 -0.47 0.07 0.00 0.00 0.00 0.00 53.44 52.95 3gfq n ALA 149 Cb 0.55 -2.07 0.51 0.00 0.00 0.00 0.00 19.45 18.44 3gfq n ALA 149 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3gfq h GLU 150 N -1.33 0.00 -0.16 0.00 4.39 -1.99 -2.82 114.58 112.66 3gfq h GLU 150 Ca -0.44 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.27 3gfq h GLU 150 Cb 1.29 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.92 3gfq h GLU 150 CO 0.41 0.25 0.05 -0.91 -1.16 0.00 0.00 179.01 177.65 3gfq h ASN 151 N 0.00 0.06 -0.38 1.42 4.21 -1.96 -3.08 115.58 115.85 3gfq h ASN 151 Ca -0.00 0.02 -0.09 0.00 1.21 0.00 0.00 56.30 57.43 3gfq h ASN 151 Cb 0.55 0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 37.74 3gfq h ASN 151 CO 0.03 0.06 -0.09 0.40 -1.29 0.00 0.00 177.43 176.54 3gfq h ILE 152 N 0.13 1.26 -0.55 2.81 2.04 -1.85 -3.22 117.51 118.13 3gfq h ILE 152 Ca 0.07 -1.16 0.10 0.00 1.00 0.00 0.00 64.86 64.86 3gfq h ILE 152 Cb 0.04 1.01 -0.08 0.00 -0.74 0.00 0.00 36.82 37.05 3gfq h ILE 152 CO -0.07 0.40 0.11 0.11 0.00 0.00 0.00 178.15 178.70 3gfq h LYS 153 N 0.74 0.24 -0.04 2.37 1.57 -1.45 0.11 116.57 120.12 3gfq h LYS 153 Ca 0.13 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.93 3gfq h LYS 153 Cb 0.58 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.79 3gfq h LYS 153 CO 0.04 0.16 -0.23 0.93 -0.57 0.00 0.00 179.45 179.78 3gfq h GLU 154 N 0.25 -0.32 -0.53 3.15 4.39 -1.64 0.14 114.58 120.01 3gfq h GLU 154 Ca 0.28 0.02 0.09 0.00 0.34 0.00 0.00 59.36 60.09 3gfq h GLU 154 Cb 0.39 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.04 3gfq h GLU 154 CO -0.36 -0.22 0.11 0.77 -1.16 0.00 0.00 179.01 178.15 3gfq h SER 155 N -0.34 0.00 -0.58 1.42 0.02 -1.32 -1.37 113.55 111.39 3gfq h SER 155 Ca 0.07 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 3gfq h SER 155 Cb 0.44 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 3gfq h SER 155 CO -0.24 0.02 0.25 0.40 -1.14 0.00 0.00 176.83 176.12 3gfq h ILE 156 N 0.24 1.22 -0.05 3.27 2.04 -0.25 -1.67 117.51 122.32 3gfq h ILE 156 Ca 0.27 -0.67 0.04 0.00 1.00 0.00 0.00 64.86 65.50 3gfq h ILE 156 Cb 0.37 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 3gfq h ILE 156 CO -0.35 0.26 -0.25 0.50 0.00 0.00 0.00 178.15 178.31 3gfq h LYS 157 N 0.79 -0.34 -0.82 2.37 3.64 0.02 0.28 116.57 122.50 3gfq h LYS 157 Ca 0.19 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.69 3gfq h LYS 157 Cb 0.17 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.02 3gfq h LYS 157 CO -0.02 -0.23 0.53 0.93 -2.27 0.00 0.00 179.45 178.39 3gfq h GLU 158 N -0.36 0.75 0.05 1.90 5.08 -0.99 -0.62 114.58 120.39 3gfq h GLU 158 Ca 0.08 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3gfq h GLU 158 Cb 0.47 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3gfq h GLU 158 CO -0.26 0.50 -0.02 1.25 -1.00 0.00 0.00 179.01 179.47 3gfq h LEU 159 N 0.77 -0.06 -0.54 1.33 5.85 -0.46 -1.86 115.31 120.35 3gfq h LEU 159 Ca 0.38 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3gfq h LEU 159 Cb 0.42 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3gfq h LEU 159 CO -0.15 0.33 0.25 0.58 -0.34 0.00 0.00 178.44 179.11 3gfq h VAL 160 N -0.46 1.21 -0.58 1.05 2.07 -0.52 -0.64 116.25 118.39 3gfq h VAL 160 Ca -0.01 -0.61 -0.09 0.00 0.82 0.00 0.00 66.70 66.82 3gfq h VAL 160 Cb 0.41 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3gfq h VAL 160 CO 0.01 0.24 0.02 -0.33 0.02 0.00 0.00 177.57 177.53 3gfq h GLU 161 N 0.73 0.98 -0.04 1.57 5.08 -1.19 -0.45 114.58 121.27 3gfq h GLU 161 Ca 0.18 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 3gfq h GLU 161 Cb 0.15 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3gfq h GLU 161 CO -0.02 0.95 -0.35 1.49 -1.00 0.00 0.00 179.01 180.09 3gfq h GLU 162 N 0.91 0.08 -0.15 2.33 4.81 -0.99 -1.97 114.58 119.60 3gfq h GLU 162 Ca 0.17 -0.03 -0.21 0.00 -0.13 0.00 0.00 59.36 59.16 3gfq h GLU 162 Cb 0.50 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.88 3gfq h GLU 162 CO 0.02 0.42 -0.74 1.25 -0.73 0.00 0.00 179.01 179.23 3gfq h LEU 163 N 0.07 0.83 -1.31 1.64 5.85 -0.53 -3.09 115.31 118.77 3gfq h LEU 163 Ca 0.01 -0.53 -0.07 0.00 0.84 0.00 0.00 57.88 58.13 3gfq h LEU 163 Cb 0.65 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3gfq h LEU 163 CO 0.05 1.32 -0.25 0.77 -0.34 0.00 0.00 178.44 179.98 3gfq h SER 164 N 0.49 0.14 -0.11 1.25 4.64 -0.81 -1.71 113.55 117.43 3gfq h SER 164 Ca -0.04 -0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.26 3gfq h SER 164 Cb 1.35 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.39 3gfq h SER 164 CO 0.15 0.40 0.00 -0.03 -0.87 0.00 0.00 176.83 176.48 3gfq h MET 165 N 0.13 0.04 -0.20 4.77 1.85 -1.30 -1.72 114.93 118.51 3gfq h MET 165 Ca 0.02 -0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.12 3gfq h MET 165 Cb 0.52 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.53 3gfq h MET 165 CO 0.04 0.03 0.10 0.74 -0.40 0.00 0.00 176.91 177.42 3gfq h PHE 166 N 0.04 0.19 -0.51 1.39 -1.00 -1.39 -1.63 116.94 114.03 3gfq h PHE 166 Ca 0.05 0.01 0.09 0.00 2.81 0.00 0.00 57.97 60.93 3gfq h PHE 166 Cb 0.06 -0.06 -0.10 0.00 3.61 0.00 0.00 35.95 39.46 3gfq h PHE 166 CO -0.13 0.11 -0.36 0.00 -1.61 0.00 0.00 178.31 176.32 3gfq h ALA 167 N 1.10 -0.18 0.37 2.45 0.00 -1.05 -2.49 119.26 119.46 3gfq h ALA 167 Ca 0.08 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3gfq h ALA 167 Cb 0.01 0.81 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3gfq h ALA 167 CO -0.05 -0.74 -0.18 0.87 0.00 0.00 0.00 179.25 179.15 3gfq h LYS 168 N -0.22 -0.48 0.00 0.00 1.57 -1.08 -3.51 116.57 112.85 3gfq h LYS 168 Ca 0.20 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3gfq h LYS 168 Cb 0.55 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.97 3gfq h LYS 168 CO -0.63 -0.32 0.00 0.00 -0.57 0.00 0.00 179.45 177.93