#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 2.93 0.05 -0.89 2.96 0.36 -1.66 118.68 122.43 3gfq s LEU 4 Ca 0.00 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 53.70 3gfq s LEU 4 Cb 0.00 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 3gfq s LEU 4 CO 0.00 0.20 0.09 -0.69 -1.32 0.00 0.00 176.35 174.63 3gfq s VAL 5 N 0.15 4.64 -0.05 1.68 1.01 -0.48 0.30 120.40 127.65 3gfq s VAL 5 Ca -0.05 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 3gfq s VAL 5 Cb -0.14 -3.20 0.03 0.00 0.00 0.00 0.00 36.38 33.06 3gfq s VAL 5 CO 0.04 0.20 0.01 -0.63 0.00 0.00 0.00 175.10 174.72 3gfq s ILE 6 N -1.33 0.26 -0.11 2.22 1.01 -0.59 -1.67 121.20 120.99 3gfq s ILE 6 Ca 0.28 0.15 -0.24 0.00 0.00 0.00 0.00 60.65 60.83 3gfq s ILE 6 Cb -0.12 -0.41 -0.03 0.00 0.01 0.00 0.00 42.46 41.91 3gfq s ILE 6 CO 0.20 0.22 0.75 0.21 0.00 0.00 0.00 174.94 176.32 3gfq s ASN 7 N 1.71 6.96 0.01 3.58 2.47 -0.65 -2.12 114.94 126.91 3gfq s ASN 7 Ca 0.00 1.16 0.06 0.00 0.42 0.00 0.00 52.86 54.50 3gfq s ASN 7 Cb -0.13 -2.43 -0.24 0.00 -1.45 0.00 0.00 41.25 37.01 3gfq s ASN 7 CO -0.04 -0.24 0.86 1.23 -3.72 0.00 0.00 177.10 175.20 3gfq h GLY 8 N 7.46 0.10 -4.42 1.21 0.00 -1.43 -3.12 103.07 102.87 3gfq h GLY 8 Ca -0.36 -0.25 -0.53 0.00 0.00 0.00 0.00 47.33 46.19 3gfq h GLY 8 CO 0.78 0.22 0.58 -1.08 0.00 0.00 0.00 176.54 177.04 3gfq s THR 9 N -2.63 3.83 -1.48 4.70 -1.32 -1.26 -4.31 115.64 113.16 3gfq s THR 9 Ca -0.05 1.35 0.29 0.00 -1.21 0.00 0.00 61.69 62.07 3gfq s THR 9 Cb 0.08 -3.87 0.42 0.00 -1.51 0.00 0.00 72.50 67.62 3gfq s THR 9 CO 0.83 0.13 1.88 -2.65 -2.21 0.00 0.00 174.62 172.60 3gfq n PRO 10 N 3.63 0.50 -2.82 7.08 -0.02 -1.26 -3.42 135.00 138.70 3gfq n PRO 10 Ca 0.08 -0.14 -0.42 0.00 -2.02 0.00 0.00 63.50 61.01 3gfq n PRO 10 Cb 0.45 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.40 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 -2.59 4.17 0.39 -0.52 0.52 -1.26 -4.36 118.95 115.30 3gfq s ARG 11 Ca 0.26 1.01 0.07 0.00 -0.52 0.00 0.00 55.73 56.55 3gfq s ARG 11 Cb 0.20 -3.66 0.81 0.00 0.52 0.00 0.00 34.95 32.81 3gfq s ARG 11 CO 0.49 -0.60 2.01 0.87 0.02 0.00 0.00 175.30 178.09 3gfq h LYS 12 N 7.71 0.63 -0.69 3.54 1.57 -1.87 -0.06 116.57 127.41 3gfq h LYS 12 Ca -0.22 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3gfq h LYS 12 Cb 1.08 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.25 3gfq h LYS 12 CO 0.91 0.42 0.00 -2.39 -0.57 0.00 0.00 179.45 177.82 3gfq n HIS 13 N -4.47 1.07 -2.29 -1.35 1.44 -1.26 -4.96 115.22 103.40 3gfq n HIS 13 Ca 0.07 -0.39 -0.32 0.00 -2.01 0.00 0.00 57.72 55.07 3gfq n HIS 13 Cb 0.15 -0.27 -0.02 0.00 0.12 0.00 0.00 29.99 29.97 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 -0.57 2.05 0.00 -1.39 0.00 -0.04 -5.00 107.32 102.37 3gfq s GLY 14 Ca 0.31 0.21 -0.22 0.00 0.00 0.00 0.00 44.72 45.02 3gfq s GLY 14 CO 0.11 0.49 1.20 3.21 0.00 0.00 0.00 173.10 178.12 3gfq h ARG 15 N 0.74 0.27 -0.61 2.90 3.08 -1.93 -3.14 114.38 115.69 3gfq h ARG 15 Ca -0.47 -0.20 0.17 0.00 0.07 0.00 0.00 59.98 59.56 3gfq h ARG 15 Cb 1.19 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.25 3gfq h ARG 15 CO 0.61 0.82 0.44 1.15 -1.07 0.00 0.00 179.97 181.92 3gfq h THR 16 N -0.22 0.70 -0.02 2.04 2.02 -1.94 0.16 112.91 115.64 3gfq h THR 16 Ca -0.01 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 3gfq h THR 16 Cb 0.84 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 3gfq h THR 16 CO 0.05 0.00 0.01 -0.09 0.37 0.00 0.00 175.52 175.86 3gfq h ARG 17 N 0.02 0.03 -0.10 6.66 2.43 -1.85 0.53 114.38 122.10 3gfq h ARG 17 Ca 0.29 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.50 3gfq h ARG 17 Cb 1.14 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.64 3gfq h ARG 17 CO -0.01 0.14 -0.15 0.82 -1.51 0.00 0.00 179.97 179.26 3gfq h ILE 18 N -0.08 0.61 -0.55 1.20 2.04 -1.01 0.96 117.51 120.68 3gfq h ILE 18 Ca 0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.92 3gfq h ILE 18 Cb 0.12 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 3gfq h ILE 18 CO -0.00 0.00 0.28 0.00 0.00 0.00 0.00 178.15 178.43 3gfq h ALA 19 N 0.84 0.72 -0.46 1.87 0.00 -1.28 -0.57 119.26 120.38 3gfq h ALA 19 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3gfq h ALA 19 Cb 0.32 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3gfq h ALA 19 CO -0.22 -0.06 0.30 0.00 0.00 0.00 0.00 179.25 179.27 3gfq h ALA 20 N 1.30 0.58 0.50 0.00 0.00 -0.44 -2.86 119.26 118.34 3gfq h ALA 20 Ca 0.25 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3gfq h ALA 20 Cb 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3gfq h ALA 20 CO -0.17 0.04 -0.24 0.77 0.00 0.00 0.00 179.25 179.64 3gfq h SER 21 N 0.62 -0.57 -0.20 0.00 0.02 -0.25 -1.86 113.55 111.30 3gfq h SER 21 Ca 0.17 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.14 3gfq h SER 21 Cb -0.06 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 3gfq h SER 21 CO -0.04 -0.39 -0.12 0.00 -1.14 0.00 0.00 176.83 175.15 3gfq n TYR 22 N -5.37 -0.09 -0.16 3.45 9.36 -0.27 -0.56 117.16 123.52 3gfq n TYR 22 Ca -0.12 0.25 -0.09 0.00 3.32 0.00 0.00 57.90 61.26 3gfq n TYR 22 Cb 0.29 -0.52 -0.04 0.00 -0.63 0.00 0.00 39.34 38.44 3gfq n TYR 22 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 3gfq h ILE 23 N 0.00 0.11 -0.61 2.97 2.04 -1.49 0.26 117.51 120.79 3gfq h ILE 23 Ca 0.03 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.04 3gfq h ILE 23 Cb 0.08 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.24 3gfq h ILE 23 CO -0.19 0.00 0.42 0.00 0.00 0.00 0.00 178.15 178.39 3gfq h ALA 24 N 0.54 2.35 0.04 1.87 0.00 -0.46 -1.37 119.26 122.23 3gfq h ALA 24 Ca 0.16 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3gfq h ALA 24 Cb 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3gfq h ALA 24 CO -0.62 -0.52 -0.02 0.00 0.00 0.00 0.00 179.25 178.10 3gfq h ALA 25 N 1.70 -0.05 -0.69 0.00 0.00 0.10 0.13 119.26 120.45 3gfq h ALA 25 Ca 0.29 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.19 3gfq h ALA 25 Cb 0.93 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.63 3gfq h ALA 25 CO -0.04 -0.06 0.09 1.25 0.00 0.00 0.00 179.25 180.49 3gfq h LEU 26 N -1.00 -0.13 -2.94 0.00 5.85 -0.09 -0.52 115.31 116.48 3gfq h LEU 26 Ca -0.01 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3gfq h LEU 26 Cb 0.34 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3gfq h LEU 26 CO 0.01 -0.08 0.00 -1.22 -0.34 0.00 0.00 178.44 176.81 3gfq n TYR 27 N -5.22 1.19 -3.92 1.25 4.02 -0.56 -4.96 117.16 108.96 3gfq n TYR 27 Ca 0.12 -0.56 -0.30 0.00 -0.01 0.00 0.00 57.90 57.15 3gfq n TYR 27 Cb 0.42 -0.12 -0.00 0.00 -0.02 0.00 0.00 39.34 39.62 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 1.33 -1.66 -4.05 -0.72 8.25 -0.21 -4.94 115.22 113.22 3gfq n HIS 28 Ca 0.25 0.57 -0.23 0.00 -0.26 0.00 0.00 57.72 58.04 3gfq n HIS 28 Cb 0.74 -3.47 -0.04 0.00 1.12 0.00 0.00 29.99 28.34 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 -3.81 4.76 0.92 1.59 -4.23 0.42 -4.98 115.64 110.31 3gfq s THR 29 Ca 0.19 -1.12 -0.10 0.00 -1.18 0.00 0.00 61.69 59.48 3gfq s THR 29 Cb -0.08 -3.52 0.15 0.00 1.34 0.00 0.00 72.50 70.39 3gfq s THR 29 CO 0.90 -0.24 1.12 -0.67 -0.54 0.00 0.00 174.62 175.19 3gfq n ASP 30 N -0.91 0.23 -3.73 3.99 2.03 -0.67 -4.77 116.55 112.73 3gfq n ASP 30 Ca -0.08 0.41 -0.12 0.00 0.52 0.00 0.00 54.79 55.52 3gfq n ASP 30 Cb 0.56 -1.47 -0.11 0.00 -0.72 0.00 0.00 41.12 39.39 3gfq n ASP 30 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3gfq s LEU 31 N -6.41 0.36 -0.26 -2.67 2.96 -1.26 -1.38 118.68 110.01 3gfq s LEU 31 Ca 0.67 0.78 0.02 0.00 -0.22 0.00 0.00 54.13 55.38 3gfq s LEU 31 Cb -0.23 1.28 0.07 0.00 0.50 0.00 0.00 46.19 47.80 3gfq s LEU 31 CO 0.58 -0.15 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.77 3gfq s ILE 32 N 0.61 1.94 -0.50 6.68 1.01 -0.67 -4.98 121.20 125.30 3gfq s ILE 32 Ca -0.03 -1.58 -0.17 0.00 0.00 0.00 0.00 60.65 58.87 3gfq s ILE 32 Cb -0.05 -2.16 0.08 0.00 0.01 0.00 0.00 42.46 40.34 3gfq s ILE 32 CO -0.04 -0.14 0.48 -0.62 0.00 0.00 0.00 174.94 174.63 3gfq s ASP 33 N 1.19 6.17 0.46 3.58 -1.08 -1.26 -1.63 116.67 124.10 3gfq s ASP 33 Ca -0.05 -1.28 0.31 0.00 -0.52 0.00 0.00 52.55 51.01 3gfq s ASP 33 Cb -0.19 -2.22 1.63 0.00 -1.46 0.00 0.00 42.92 40.68 3gfq s ASP 33 CO -0.06 -0.76 1.96 -0.07 0.52 0.00 0.00 175.17 176.76 3gfq h LEU 34 N 9.08 0.00 -0.25 -1.34 3.38 -1.77 1.05 115.31 125.46 3gfq h LEU 34 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3gfq h LEU 34 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3gfq h LEU 34 CO 0.93 0.00 0.00 0.77 0.09 0.00 0.00 178.44 180.23 3gfq h SER 35 N 0.00 0.00 0.00 -0.43 4.64 -1.75 -3.31 113.55 112.69 3gfq h SER 35 Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 3gfq h SER 35 Cb 0.09 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.14 3gfq h SER 35 CO 0.00 0.00 -1.76 -0.62 -0.87 0.00 0.00 176.83 173.58 3gfq n GLU 36 N -3.05 1.44 -2.37 4.77 -0.58 0.22 -4.72 120.64 116.34 3gfq n GLU 36 Ca 0.03 0.03 -0.43 0.00 -0.42 0.00 0.00 57.16 56.38 3gfq n GLU 36 Cb 0.49 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 30.08 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 -2.61 3.24 -2.70 -0.32 7.35 0.34 -4.98 117.46 117.77 3gfq n PHE 37 Ca -0.21 -2.87 -0.43 0.00 -0.76 0.00 0.00 57.45 53.19 3gfq n PHE 37 Cb 0.81 -2.03 -0.03 0.00 0.35 0.00 0.00 39.48 38.59 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 0.77 4.51 0.38 -2.13 1.01 -1.26 -4.62 120.40 119.05 3gfq s VAL 38 Ca 0.41 1.46 -0.01 0.00 0.00 0.00 0.00 61.98 63.84 3gfq s VAL 38 Cb 0.08 -4.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 3gfq s VAL 38 CO -0.00 -0.56 0.60 -0.76 0.00 0.00 0.00 175.10 174.38 3gfq s LEU 39 N 3.67 3.91 0.90 3.92 1.43 -1.26 -5.08 118.68 126.17 3gfq s LEU 39 Ca 0.43 0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 53.94 3gfq s LEU 39 Cb -0.11 -3.42 0.13 0.00 0.03 0.00 0.00 46.19 42.82 3gfq s LEU 39 CO 0.18 -0.38 1.14 -2.84 0.23 0.00 0.00 176.35 174.68 3gfq s PRO 40 N -4.42 1.19 -0.08 1.29 0.02 -1.26 -4.99 135.00 126.75 3gfq s PRO 40 Ca 0.42 0.31 -0.30 0.00 0.02 0.00 0.00 61.00 61.45 3gfq s PRO 40 Cb -0.10 -1.84 -0.02 0.00 0.02 0.00 0.00 34.50 32.55 3gfq s PRO 40 CO 0.38 -2.17 1.15 0.08 -0.33 0.00 0.00 177.00 176.11 3gfq s VAL 41 N -3.27 4.41 0.19 3.83 1.01 -1.26 -4.94 120.40 120.38 3gfq s VAL 41 Ca 0.64 1.72 -0.30 0.00 0.00 0.00 0.00 61.98 64.04 3gfq s VAL 41 Cb -0.15 -4.11 -0.17 0.00 0.00 0.00 0.00 36.38 31.96 3gfq s VAL 41 CO 0.53 -0.01 0.72 0.33 0.00 0.00 0.00 175.10 176.67 3gfq n PHE 42 N 5.25 0.11 -0.80 5.22 7.35 -1.26 -4.88 117.46 128.45 3gfq n PHE 42 Ca 0.11 0.91 0.00 0.00 -0.76 0.00 0.00 57.45 57.70 3gfq n PHE 42 Cb 0.47 -2.05 0.00 0.00 0.35 0.00 0.00 39.48 38.24 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 1.80 0.36 0.00 -2.13 0.23 -1.26 -5.02 115.26 109.24 3gfq n ASN 43 Ca 0.16 -1.16 0.00 0.00 -0.53 0.00 0.00 54.58 53.06 3gfq n ASN 43 Cb 0.25 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.95 3gfq n ASN 43 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gfq n GLY 44 N -0.08 0.33 3.93 4.83 0.00 -1.26 -4.99 105.19 107.95 3gfq n GLY 44 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.80 3.53 0.10 1.61 2.02 -1.26 -5.02 118.70 118.87 3gfq s GLU 45 Ca 0.00 -0.17 -0.14 0.00 0.02 0.00 0.00 54.97 54.68 3gfq s GLU 45 Cb 0.00 -2.62 -0.12 0.00 0.10 0.00 0.00 34.13 31.49 3gfq s GLU 45 CO 0.00 0.11 1.35 0.00 0.02 0.00 0.00 175.26 176.74 3gfq h ALA 46 N 0.91 0.36 -1.03 5.21 0.00 -2.02 -3.15 119.26 119.54 3gfq h ALA 46 Ca -0.49 -0.51 0.26 0.00 0.00 0.00 0.00 54.91 54.18 3gfq h ALA 46 Cb 1.21 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 3gfq h ALA 46 CO 0.63 0.56 0.68 0.93 0.00 0.00 0.00 179.25 182.04 3gfq h GLU 47 N 0.47 0.33 -0.85 0.00 3.07 -2.00 0.47 114.58 116.07 3gfq h GLU 47 Ca -0.00 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 3gfq h GLU 47 Cb 1.14 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.94 3gfq h GLU 47 CO 0.12 0.22 0.45 1.96 -1.40 0.00 0.00 179.01 180.36 3gfq h GLN 48 N 0.34 1.20 -0.55 2.33 4.20 -1.97 -2.26 115.11 118.40 3gfq h GLN 48 Ca 0.57 -0.15 0.05 0.00 0.06 0.00 0.00 58.65 59.18 3gfq h GLN 48 Cb 1.54 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 29.06 3gfq h GLN 48 CO -0.24 0.89 0.37 0.77 -0.67 0.00 0.00 178.83 179.95 3gfq h SER 49 N 1.20 0.50 0.54 1.46 0.02 -0.17 0.03 113.55 117.12 3gfq h SER 49 Ca 0.30 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 3gfq h SER 49 Cb 0.05 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.48 3gfq h SER 49 CO -0.05 0.33 0.00 -0.62 -1.14 0.00 0.00 176.83 175.36 3gfq n GLU 50 N -4.47 0.39 -1.75 3.45 1.02 -0.86 -4.24 120.64 114.18 3gfq n GLU 50 Ca 0.07 0.02 -0.39 0.00 -0.02 0.00 0.00 57.16 56.85 3gfq n GLU 50 Cb 0.20 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.16 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 -2.58 3.88 0.08 -4.62 1.43 -0.00 -4.90 118.68 111.97 3gfq s LEU 51 Ca 0.26 2.82 -0.13 0.00 -1.03 0.00 0.00 54.13 56.05 3gfq s LEU 51 Cb 0.19 -4.23 -0.21 0.00 0.03 0.00 0.00 46.19 41.97 3gfq s LEU 51 CO 0.43 -1.56 1.22 0.25 0.23 0.00 0.00 176.35 176.92 3gfq h LEU 52 N 1.54 0.91 -1.53 1.79 6.46 -1.87 -1.91 115.31 120.70 3gfq h LEU 52 Ca -0.51 -0.70 -0.02 0.00 -0.12 0.00 0.00 57.88 56.53 3gfq h LEU 52 Cb 1.30 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.95 3gfq h LEU 52 CO 0.58 1.50 -0.09 0.11 -0.62 0.00 0.00 178.44 179.92 3gfq h LYS 53 N 0.42 0.00 0.01 1.25 1.57 -1.95 0.14 116.57 118.02 3gfq h LYS 53 Ca -0.11 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 3gfq h LYS 53 Cb 1.64 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.95 3gfq h LYS 53 CO 0.20 0.09 -0.32 0.28 -0.57 0.00 0.00 179.45 179.12 3gfq h VAL 54 N 0.00 1.55 -0.72 0.50 2.07 -1.82 -2.42 116.25 115.41 3gfq h VAL 54 Ca -0.00 -2.04 -0.01 0.00 0.82 0.00 0.00 66.70 65.46 3gfq h VAL 54 Cb 0.52 2.83 -0.03 0.00 -1.52 0.00 0.00 31.29 33.09 3gfq h VAL 54 CO 0.01 0.56 0.39 1.56 0.02 0.00 0.00 177.57 180.12 3gfq h GLN 55 N -0.48 1.00 -0.14 1.57 4.20 -1.03 -1.23 115.11 119.00 3gfq h GLN 55 Ca -0.04 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 3gfq h GLN 55 Cb 1.10 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 3gfq h GLN 55 CO 0.06 0.74 0.08 1.49 -0.67 0.00 0.00 178.83 180.54 3gfq h GLU 56 N 0.98 0.19 0.04 1.46 4.81 -0.80 -1.29 114.58 119.96 3gfq h GLU 56 Ca 0.25 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.49 3gfq h GLU 56 Cb 0.04 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 3gfq h GLU 56 CO -0.04 0.16 -0.21 1.25 -0.73 0.00 0.00 179.01 179.44 3gfq h LEU 57 N 0.16 -0.61 -0.36 1.64 5.85 -1.21 -0.49 115.31 120.28 3gfq h LEU 57 Ca 0.05 0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.92 3gfq h LEU 57 Cb 0.02 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 3gfq h LEU 57 CO -0.01 -0.28 -0.04 0.11 -0.34 0.00 0.00 178.44 177.88 3gfq h LYS 58 N -0.36 0.05 -0.12 1.25 1.57 -1.05 -2.33 116.57 115.58 3gfq h LYS 58 Ca 0.05 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3gfq h LYS 58 Cb 0.42 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 3gfq h LYS 58 CO -0.17 0.04 -0.03 0.37 -0.57 0.00 0.00 179.45 179.09 3gfq h GLN 59 N 0.05 0.23 0.00 3.15 4.15 -1.03 -1.94 115.11 119.73 3gfq h GLN 59 Ca 0.18 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 3gfq h GLN 59 Cb 0.26 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.93 3gfq h GLN 59 CO -0.33 0.52 -0.01 0.00 -1.93 0.00 0.00 178.83 177.08 3gfq h ARG 60 N -0.08 0.00 0.05 1.69 3.08 -1.00 -1.05 114.38 117.07 3gfq h ARG 60 Ca 0.03 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.84 3gfq h ARG 60 Cb 0.44 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.51 3gfq h ARG 60 CO 0.01 0.01 -0.97 0.28 -1.07 0.00 0.00 179.97 178.23 3gfq h VAL 61 N 0.00 1.34 -0.31 2.04 2.07 -1.26 -2.95 116.25 117.18 3gfq h VAL 61 Ca -0.00 -2.29 -0.01 0.00 0.82 0.00 0.00 66.70 65.22 3gfq h VAL 61 Cb 0.02 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 3gfq h VAL 61 CO 0.00 0.69 0.14 0.74 0.02 0.00 0.00 177.57 179.16 3gfq h THR 62 N 0.16 1.16 0.00 2.57 2.02 -0.57 -2.60 112.91 115.65 3gfq h THR 62 Ca -0.13 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.58 3gfq h THR 62 Cb 1.66 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 3gfq h THR 62 CO 0.19 0.17 0.00 2.29 0.37 0.00 0.00 175.52 178.53 3gfq n LYS 63 N -4.76 0.00 -2.37 6.66 2.85 -0.47 -4.77 118.16 115.29 3gfq n LYS 63 Ca -0.02 0.13 -0.42 0.00 -1.05 0.00 0.00 58.31 56.95 3gfq n LYS 63 Cb 0.11 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 32.96 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 -3.00 3.49 -0.02 0.58 0.00 -0.98 -4.92 121.76 116.91 3gfq s ALA 64 Ca 0.10 0.78 0.11 0.00 0.00 0.00 0.00 51.96 52.95 3gfq s ALA 64 Cb 0.14 -3.52 -0.08 0.00 0.00 0.00 0.00 23.12 19.66 3gfq s ALA 64 CO 0.39 -0.71 1.32 0.38 0.00 0.00 0.00 175.76 177.15 3gfq h ASP 65 N 7.36 0.00 -3.48 0.00 2.03 -1.87 -3.46 116.42 117.00 3gfq h ASP 65 Ca -0.37 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 55.88 3gfq h ASP 65 Cb 1.18 0.00 -0.23 0.00 -0.83 0.00 0.00 39.33 39.46 3gfq h ASP 65 CO 0.87 0.76 -0.06 0.00 -1.03 0.00 0.00 179.24 179.77 3gfq s ALA 66 N -2.83 -1.53 -0.05 4.15 0.00 -1.26 -4.34 121.76 115.90 3gfq s ALA 66 Ca 0.02 1.91 0.04 0.00 0.00 0.00 0.00 51.96 53.93 3gfq s ALA 66 Cb 0.09 -1.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 3gfq s ALA 66 CO 0.79 -0.31 -0.17 0.42 0.00 0.00 0.00 175.76 176.49 3gfq s ILE 67 N 0.99 2.84 -0.26 0.00 1.01 0.36 -0.49 121.20 125.65 3gfq s ILE 67 Ca -0.05 -0.80 -0.08 0.00 0.00 0.00 0.00 60.65 59.72 3gfq s ILE 67 Cb -0.05 -2.10 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 3gfq s ILE 67 CO -0.09 0.58 0.08 -0.69 0.00 0.00 0.00 174.94 174.82 3gfq s VAL 68 N -0.56 4.32 -0.32 2.92 1.01 0.15 -1.37 120.40 126.54 3gfq s VAL 68 Ca 0.08 -0.26 -0.10 0.00 0.00 0.00 0.00 61.98 61.70 3gfq s VAL 68 Cb -0.11 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 3gfq s VAL 68 CO 0.01 0.28 0.18 -0.22 0.00 0.00 0.00 175.10 175.34 3gfq s LEU 69 N 1.60 4.26 0.06 3.92 2.96 0.10 -1.55 118.68 130.03 3gfq s LEU 69 Ca 0.06 -0.55 0.06 0.00 -0.22 0.00 0.00 54.13 53.48 3gfq s LEU 69 Cb -0.16 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 3gfq s LEU 69 CO 0.04 -0.22 -0.14 -0.76 -1.32 0.00 0.00 176.35 173.95 3gfq s LEU 70 N 1.63 2.84 -0.24 -0.68 1.02 -0.90 -0.47 118.68 121.88 3gfq s LEU 70 Ca 0.05 -0.37 -0.26 0.00 0.02 0.00 0.00 54.13 53.57 3gfq s LEU 70 Cb -0.17 -1.66 0.10 0.00 0.02 0.00 0.00 46.19 44.47 3gfq s LEU 70 CO 0.07 0.23 0.86 -0.55 0.02 0.00 0.00 176.35 176.99 3gfq s SER 71 N -1.69 -0.59 0.77 2.29 0.15 -0.50 -1.10 113.70 113.03 3gfq s SER 71 Ca 0.17 1.06 -0.11 0.00 0.70 0.00 0.00 55.95 57.77 3gfq s SER 71 Cb -0.11 1.05 0.06 0.00 -1.71 0.00 0.00 66.02 65.31 3gfq s SER 71 CO 0.08 -0.25 1.08 -2.16 1.20 0.00 0.00 173.24 173.19 3gfq s PRO 72 N 0.04 2.26 -0.51 5.44 0.04 -1.26 -1.03 135.00 139.98 3gfq s PRO 72 Ca 0.00 1.02 -0.21 0.00 0.04 0.00 0.00 61.00 61.85 3gfq s PRO 72 Cb -0.04 -1.91 0.05 0.00 0.04 0.00 0.00 34.50 32.64 3gfq s PRO 72 CO -0.01 -1.60 0.74 -2.00 0.04 0.00 0.00 177.00 174.17 3gfq s GLU 73 N -4.96 3.22 -0.42 4.56 2.12 -0.87 -3.81 118.70 118.54 3gfq s GLU 73 Ca 0.61 -0.58 -0.13 0.00 0.36 0.00 0.00 54.97 55.22 3gfq s GLU 73 Cb -0.16 -4.06 0.05 0.00 0.26 0.00 0.00 34.13 30.22 3gfq s GLU 73 CO 0.56 -1.28 0.29 0.71 -0.54 0.00 0.00 175.26 175.00 3gfq s TYR 74 N 3.12 3.26 -1.21 5.30 4.12 0.46 -4.60 117.35 127.79 3gfq s TYR 74 Ca 0.22 -0.94 -0.04 0.00 0.02 0.00 0.00 57.07 56.32 3gfq s TYR 74 Cb -0.16 -2.75 -0.02 0.00 -1.52 0.00 0.00 41.96 37.51 3gfq s TYR 74 CO 0.16 -0.70 0.81 0.72 0.02 0.00 0.00 175.55 176.55 3gfq n HIS 75 N 5.08 -2.07 -3.76 2.71 8.25 -1.26 -2.58 115.22 121.59 3gfq n HIS 75 Ca -0.11 0.80 -0.24 0.00 -0.26 0.00 0.00 57.72 57.90 3gfq n HIS 75 Cb 0.45 -4.32 0.03 0.00 1.12 0.00 0.00 29.99 27.28 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 -3.04 -2.48 -3.66 0.41 7.64 -1.26 -4.95 113.62 106.28 3gfq n SER 76 Ca -0.22 -0.80 -0.04 0.00 1.01 0.00 0.00 58.87 58.82 3gfq n SER 76 Cb 0.65 -4.04 -0.01 0.00 -1.01 0.00 0.00 64.21 59.79 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 -4.00 -0.32 0.91 0.23 0.00 -1.07 -4.37 107.32 98.70 3gfq s GLY 77 Ca 0.23 0.51 -0.11 0.00 0.00 0.00 0.00 44.72 45.35 3gfq s GLY 77 CO 0.81 0.13 1.10 -3.16 0.00 0.00 0.00 173.10 171.98 3gfq s MET 78 N -3.10 1.12 0.63 2.90 0.00 -1.26 -0.40 119.30 119.19 3gfq s MET 78 Ca 0.10 1.06 -0.17 0.00 0.00 0.00 0.00 55.69 56.68 3gfq s MET 78 Cb -0.01 -1.77 -0.01 0.00 0.00 0.00 0.00 34.83 33.04 3gfq s MET 78 CO -0.02 -2.40 1.17 -1.54 0.00 0.00 0.00 175.02 172.23 3gfq s SER 79 N -3.13 5.04 0.31 -1.18 1.04 -1.25 -4.56 113.70 109.97 3gfq s SER 79 Ca 0.64 2.25 0.07 0.00 0.48 0.00 0.00 55.95 59.39 3gfq s SER 79 Cb -0.20 -2.58 0.51 0.00 0.10 0.00 0.00 66.02 63.85 3gfq s SER 79 CO 0.58 -1.69 1.74 1.23 0.98 0.00 0.00 173.24 176.08 3gfq h GLY 80 N 0.46 0.27 0.81 7.32 0.00 -1.93 -1.91 103.07 108.09 3gfq h GLY 80 Ca -0.49 -0.24 0.05 0.00 0.00 0.00 0.00 47.33 46.66 3gfq h GLY 80 CO 0.54 0.22 0.65 0.00 0.00 0.00 0.00 176.54 177.94 3gfq h ALA 81 N 1.42 1.39 0.11 3.60 0.00 -1.92 0.20 119.26 124.06 3gfq h ALA 81 Ca 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3gfq h ALA 81 Cb 0.73 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3gfq h ALA 81 CO 0.06 0.48 -0.05 1.25 0.00 0.00 0.00 179.25 180.98 3gfq h LEU 82 N 1.20 -0.13 -1.51 0.00 5.85 -1.66 -2.91 115.31 116.15 3gfq h LEU 82 Ca 0.42 -0.44 0.04 0.00 0.84 0.00 0.00 57.88 58.74 3gfq h LEU 82 Cb 0.11 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3gfq h LEU 82 CO -0.15 0.47 0.38 0.50 -0.34 0.00 0.00 178.44 179.30 3gfq h LYS 83 N -0.83 0.61 0.00 1.25 1.63 -1.26 -1.67 116.57 116.31 3gfq h LYS 83 Ca -0.02 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 3gfq h LYS 83 Cb 0.56 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 3gfq h LYS 83 CO 0.03 0.41 -0.03 -0.97 -3.45 0.00 0.00 179.45 175.44 3gfq h ASN 84 N 0.63 -0.07 -0.70 4.20 -1.24 -0.65 -1.94 115.58 115.81 3gfq h ASN 84 Ca 0.23 0.01 0.03 0.00 0.71 0.00 0.00 56.30 57.29 3gfq h ASN 84 Cb 0.14 0.03 -0.04 0.00 0.73 0.00 0.00 38.32 39.18 3gfq h ASN 84 CO -0.06 -0.04 0.43 0.00 -1.29 0.00 0.00 177.43 176.47 3gfq h ALA 85 N 0.95 0.91 0.00 1.57 0.00 -1.14 -1.55 119.26 120.00 3gfq h ALA 85 Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gfq h ALA 85 Cb 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3gfq h ALA 85 CO -0.03 0.20 -0.01 -0.07 0.00 0.00 0.00 179.25 179.35 3gfq h LEU 86 N 0.85 0.00 -1.67 0.00 3.38 -1.08 -1.02 115.31 115.76 3gfq h LEU 86 Ca 0.28 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 3gfq h LEU 86 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3gfq h LEU 86 CO -0.11 0.01 -0.17 0.44 0.09 0.00 0.00 178.44 178.69 3gfq h ASP 87 N 0.00 0.00 0.93 -0.43 3.32 -0.48 -1.79 116.42 117.97 3gfq h ASP 87 Ca -0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3gfq h ASP 87 Cb 0.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3gfq h ASP 87 CO 0.00 0.17 -0.32 -0.26 -1.72 0.00 0.00 179.24 177.12 3gfq h PHE 88 N 0.00 0.00 -4.87 4.55 -1.00 -1.16 -3.46 116.94 111.01 3gfq h PHE 88 Ca -0.00 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.61 3gfq h PHE 88 Cb 0.45 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.02 3gfq h PHE 88 CO 0.00 0.32 -0.03 1.28 -1.61 0.00 0.00 178.31 178.27 3gfq n LEU 89 N -3.45 0.00 0.00 1.54 4.77 -0.67 -5.04 117.00 114.15 3gfq n LEU 89 Ca 0.00 -0.86 -0.01 0.00 -0.03 0.00 0.00 56.01 55.10 3gfq n LEU 89 Cb 0.49 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3gfq n LEU 89 CO 0.36 -0.56 0.09 -1.54 -1.33 0.00 0.00 177.39 174.41 3gfq n SER 90 N -2.71 -0.37 0.27 -1.43 3.41 -1.26 -5.00 113.62 106.53 3gfq n SER 90 Ca 0.05 -1.25 0.18 0.00 -0.26 0.00 0.00 58.87 57.59 3gfq n SER 90 Cb 0.21 0.61 0.93 0.00 -0.26 0.00 0.00 64.21 65.70 3gfq n SER 90 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3gfq h SER 91 N 0.33 0.00 0.18 4.04 4.64 -1.89 -1.79 113.55 119.07 3gfq h SER 91 Ca -0.05 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 3gfq h SER 91 Cb 0.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3gfq h SER 91 CO 0.07 0.00 -0.07 -0.08 -0.87 0.00 0.00 176.83 175.88 3gfq h GLU 92 N 0.00 0.00 0.00 4.77 4.81 -1.94 0.17 114.58 122.39 3gfq h GLU 92 Ca 0.00 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.99 3gfq h GLU 92 Cb 0.11 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.44 3gfq h GLU 92 CO 0.00 0.07 -2.08 1.04 -0.73 0.00 0.00 179.01 177.31 3gfq n GLN 93 N -3.80 1.11 -0.00 1.92 3.00 -0.70 -4.70 117.38 114.21 3gfq n GLN 93 Ca -0.02 -0.04 0.09 0.00 -0.01 0.00 0.00 57.00 57.01 3gfq n GLN 93 Cb 0.17 -1.43 -0.12 0.00 0.00 0.00 0.00 30.24 28.85 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 -2.51 0.00 -1.70 1.08 3.01 -1.04 -4.51 117.46 111.79 3gfq n PHE 94 Ca -0.22 0.00 -0.56 0.00 1.01 0.00 0.00 57.45 57.67 3gfq n PHE 94 Cb 0.92 -0.24 -0.07 0.00 -0.01 0.00 0.00 39.48 40.08 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 -1.83 1.24 -0.66 -1.08 4.81 0.58 -0.13 118.16 121.08 3gfq n LYS 95 Ca -0.01 0.45 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 3gfq n LYS 95 Cb 0.39 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 33.27 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 5.71 0.00 -1.93 5.64 4.01 0.25 -4.92 117.16 125.93 3gfq n TYR 96 Ca 0.27 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.59 3gfq n TYR 96 Cb 0.15 -0.65 -0.03 0.00 -0.31 0.00 0.00 39.34 38.50 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 -0.39 4.17 0.05 -0.72 2.47 0.81 -4.16 119.74 121.97 3gfq s LYS 97 Ca 0.00 2.29 -0.30 0.00 -1.56 0.00 0.00 55.97 56.40 3gfq s LYS 97 Cb 0.00 -4.00 -0.09 0.00 -1.46 0.00 0.00 37.83 32.28 3gfq s LYS 97 CO 0.00 -0.86 1.85 -2.14 0.16 0.00 0.00 175.35 174.36 3gfq s PRO 98 N 4.03 4.15 -0.07 4.03 0.02 -1.26 0.58 135.00 146.49 3gfq s PRO 98 Ca 0.77 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.31 3gfq s PRO 98 Cb -0.36 -3.92 0.02 0.00 0.02 0.00 0.00 34.50 30.27 3gfq s PRO 98 CO 0.32 -0.88 -0.05 0.08 -0.33 0.00 0.00 177.00 176.14 3gfq s VAL 99 N 3.72 0.68 -0.14 3.83 1.01 -0.32 -0.49 120.40 128.70 3gfq s VAL 99 Ca 0.83 -0.16 -0.06 0.00 0.00 0.00 0.00 61.98 62.59 3gfq s VAL 99 Cb -0.42 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3gfq s VAL 99 CO 0.37 0.28 0.09 0.00 0.00 0.00 0.00 175.10 175.84 3gfq s ALA 100 N 1.24 3.63 0.01 5.51 0.00 -0.47 -1.77 121.76 129.91 3gfq s ALA 100 Ca -0.05 -0.70 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 3gfq s ALA 100 Cb -0.14 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 3gfq s ALA 100 CO -0.02 0.46 0.14 -0.51 0.00 0.00 0.00 175.76 175.83 3gfq s LEU 101 N -0.53 4.14 -0.24 0.00 1.43 -1.26 0.01 118.68 122.22 3gfq s LEU 101 Ca 0.11 0.22 -0.09 0.00 -1.03 0.00 0.00 54.13 53.35 3gfq s LEU 101 Cb -0.12 -2.53 0.10 0.00 0.03 0.00 0.00 46.19 43.67 3gfq s LEU 101 CO 0.02 0.24 0.52 -0.22 0.23 0.00 0.00 176.35 177.14 3gfq s LEU 102 N -2.01 -0.81 -0.08 1.79 0.20 0.38 -2.47 118.68 115.69 3gfq s LEU 102 Ca 0.27 1.24 0.03 0.00 0.69 0.00 0.00 54.13 56.36 3gfq s LEU 102 Cb -0.12 1.78 0.01 0.00 -0.43 0.00 0.00 46.19 47.42 3gfq s LEU 102 CO 0.19 -0.22 -0.18 0.00 -0.29 0.00 0.00 176.35 175.84 3gfq s ALA 103 N 2.55 1.71 -0.54 5.97 0.00 0.32 -1.41 121.76 130.36 3gfq s ALA 103 Ca -0.05 -0.69 -0.19 0.00 0.00 0.00 0.00 51.96 51.03 3gfq s ALA 103 Cb -0.11 -0.70 0.08 0.00 0.00 0.00 0.00 23.12 22.39 3gfq s ALA 103 CO -0.16 0.19 0.65 0.08 0.00 0.00 0.00 175.76 176.52 3gfq s VAL 104 N 0.53 4.86 0.67 0.00 1.01 -0.19 -0.83 120.40 126.45 3gfq s VAL 104 Ca -0.16 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 3gfq s VAL 104 Cb -0.17 -4.37 0.07 0.00 0.00 0.00 0.00 36.38 31.91 3gfq s VAL 104 CO 0.06 -0.93 0.96 0.00 0.00 0.00 0.00 175.10 175.19 3gfq s ALA 105 N 2.62 3.38 -2.45 5.51 0.00 0.12 -2.06 121.76 128.88 3gfq s ALA 105 Ca 0.13 -1.12 0.23 0.00 0.00 0.00 0.00 51.96 51.19 3gfq s ALA 105 Cb -0.21 -2.41 0.58 0.00 0.00 0.00 0.00 23.12 21.08 3gfq s ALA 105 CO 0.09 -1.21 1.47 0.41 0.00 0.00 0.00 175.76 176.53 3gfq n GLY 106 N -2.79 0.90 0.00 0.00 0.00 -1.26 -3.73 105.19 98.32 3gfq n GLY 106 Ca 0.09 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 1.30 2.25 7.00 -0.02 0.00 -1.26 -4.66 105.19 109.80 3gfq n GLY 107 Ca 0.17 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.21 1.61 1.53 -0.02 0.00 -1.26 -2.87 105.19 102.97 3gfq n GLY 108 Ca 0.00 -0.49 0.09 0.00 0.00 0.00 0.00 46.02 45.62 3gfq n GLY 108 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3gfq n LEU 109 N 0.00 4.70 -4.74 0.99 -0.00 -1.26 -4.98 117.00 111.70 3gfq n LEU 109 Ca 0.00 -2.47 -0.31 0.00 -0.00 0.00 0.00 56.01 53.23 3gfq n LEU 109 Cb 0.00 -0.57 0.11 0.00 -0.00 0.00 0.00 43.42 42.97 3gfq n LEU 109 CO 0.00 0.80 0.68 -0.83 -0.00 0.00 0.00 177.39 178.05 3gfq s GLY 110 N -0.97 1.66 0.00 1.47 0.00 -1.14 -4.02 107.32 104.33 3gfq s GLY 110 Ca 0.50 0.19 0.00 0.00 0.00 0.00 0.00 44.72 45.40 3gfq s GLY 110 CO 0.23 0.59 0.00 0.61 0.00 0.00 0.00 173.10 174.53 3gfq n GLY 111 N -1.03 2.64 0.07 0.20 0.00 -1.26 -4.76 105.19 101.05 3gfq n GLY 111 Ca 0.09 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 0.94 -0.58 -0.61 5.03 -1.97 -0.30 117.51 120.01 3gfq h ILE 112 Ca 0.00 -0.01 -0.01 0.00 -0.12 0.00 0.00 64.86 64.73 3gfq h ILE 112 Cb 0.00 0.91 -0.03 0.00 -3.03 0.00 0.00 36.82 34.67 3gfq h ILE 112 CO 0.00 0.00 0.33 0.78 -0.68 0.00 0.00 178.15 178.59 3gfq h ASN 113 N 0.02 0.70 -0.31 1.72 2.35 -1.88 -1.11 115.58 117.08 3gfq h ASN 113 Ca 0.04 -0.07 0.03 0.00 -0.55 0.00 0.00 56.30 55.75 3gfq h ASN 113 Cb 0.05 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 3gfq h ASN 113 CO -0.07 0.57 0.11 0.00 -1.65 0.00 0.00 177.43 176.39 3gfq h ALA 114 N 1.16 0.35 -0.18 -0.83 0.00 -1.69 0.12 119.26 118.19 3gfq h ALA 114 Ca 0.21 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3gfq h ALA 114 Cb 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3gfq h ALA 114 CO -0.04 -0.29 0.11 -0.07 0.00 0.00 0.00 179.25 178.96 3gfq h LEU 115 N 0.25 0.22 -1.49 0.00 3.38 -0.81 -0.38 115.31 116.49 3gfq h LEU 115 Ca 0.14 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3gfq h LEU 115 Cb 0.10 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3gfq h LEU 115 CO -0.14 0.21 0.04 0.78 0.09 0.00 0.00 178.44 179.42 3gfq h ASN 116 N 0.21 0.34 0.74 -0.43 2.35 -0.97 0.28 115.58 118.10 3gfq h ASN 116 Ca 0.07 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 3gfq h ASN 116 Cb 0.03 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.32 3gfq h ASN 116 CO -0.01 0.37 -0.36 -1.13 -1.65 0.00 0.00 177.43 174.65 3gfq h ASN 117 N 0.37 -0.84 -0.38 5.81 -0.00 -0.26 0.22 115.58 120.49 3gfq h ASN 117 Ca 0.09 0.01 0.05 0.00 -0.00 0.00 0.00 56.30 56.45 3gfq h ASN 117 Cb 0.19 0.22 -0.05 0.00 -0.00 0.00 0.00 38.32 38.68 3gfq h ASN 117 CO 0.00 -0.53 0.11 0.24 -0.00 0.00 0.00 177.43 177.25 3gfq h MET 118 N -1.12 0.25 -0.66 6.67 2.86 -0.77 -0.12 114.93 122.03 3gfq h MET 118 Ca -0.10 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.56 3gfq h MET 118 Cb 0.78 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.34 3gfq h MET 118 CO 0.17 0.16 0.40 -0.09 1.06 0.00 0.00 176.91 178.61 3gfq h ARG 119 N 0.25 0.76 0.14 1.72 2.43 -0.44 0.30 114.38 119.54 3gfq h ARG 119 Ca 0.18 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3gfq h ARG 119 Cb 0.18 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3gfq h ARG 119 CO -0.20 0.50 -0.07 1.15 -1.51 0.00 0.00 179.97 179.85 3gfq h THR 120 N 0.79 0.97 -0.84 0.20 2.02 -0.37 -1.18 112.91 114.50 3gfq h THR 120 Ca 0.27 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 67.01 3gfq h THR 120 Cb 0.05 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 3gfq h THR 120 CO -0.12 0.11 0.55 0.58 0.37 0.00 0.00 175.52 177.01 3gfq h VAL 121 N -0.40 1.22 -0.70 3.16 2.07 -0.84 -2.14 116.25 118.63 3gfq h VAL 121 Ca -0.02 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 3gfq h VAL 121 Cb 0.32 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 3gfq h VAL 121 CO 0.03 0.21 0.16 0.24 0.02 0.00 0.00 177.57 178.23 3gfq h MET 122 N 1.14 1.13 0.00 1.57 2.07 -0.20 -1.30 114.93 119.33 3gfq h MET 122 Ca 0.31 -0.28 -0.01 0.00 -2.07 0.00 0.00 59.70 57.64 3gfq h MET 122 Cb -0.13 -0.14 -0.00 0.00 -1.87 0.00 0.00 31.60 29.46 3gfq h MET 122 CO -0.07 1.01 -0.06 0.00 1.07 0.00 0.00 176.91 178.86 3gfq h ARG 123 N 1.06 0.00 -0.08 1.72 3.08 -0.77 -2.09 114.38 117.30 3gfq h ARG 123 Ca 0.22 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.19 3gfq h ARG 123 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3gfq h ARG 123 CO 0.01 0.06 -0.32 0.78 -1.07 0.00 0.00 179.97 179.43 3gfq h GLY 124 N 1.08 0.17 -2.20 0.04 0.00 -0.60 -2.55 103.07 99.02 3gfq h GLY 124 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3gfq h GLY 124 CO 0.01 0.13 0.00 3.33 0.00 0.00 0.00 176.54 180.01 3gfq n VAL 125 N -4.12 1.54 -1.79 4.60 0.24 -0.86 -4.84 118.33 113.10 3gfq n VAL 125 Ca -0.01 -1.23 -0.11 0.00 -2.04 0.00 0.00 64.34 60.95 3gfq n VAL 125 Cb 0.40 0.23 -0.03 0.00 -1.47 0.00 0.00 33.84 32.97 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 0.73 -0.28 -2.16 6.34 4.02 -0.96 -2.96 117.16 121.88 3gfq n TYR 126 Ca 0.20 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.74 3gfq n TYR 126 Cb 0.71 -2.36 0.01 0.00 -0.02 0.00 0.00 39.34 37.68 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 -2.49 2.65 -1.11 -0.72 0.00 -0.84 -0.58 121.76 118.66 3gfq s ALA 127 Ca 0.00 0.90 -0.16 0.00 0.00 0.00 0.00 51.96 52.70 3gfq s ALA 127 Cb 0.00 -3.40 0.14 0.00 0.00 0.00 0.00 23.12 19.87 3gfq s ALA 127 CO 0.00 -0.92 1.35 1.21 0.00 0.00 0.00 175.76 177.40 3gfq s ASN 128 N -1.69 6.87 -0.42 0.00 3.84 0.20 -4.69 114.94 119.04 3gfq s ASN 128 Ca 0.74 -2.54 -0.29 0.00 0.21 0.00 0.00 52.86 50.98 3gfq s ASN 128 Cb -0.27 -2.42 0.02 0.00 -0.55 0.00 0.00 41.25 38.04 3gfq s ASN 128 CO 0.30 -0.93 1.17 -0.69 -2.79 0.00 0.00 177.10 174.16 3gfq s VAL 129 N 2.33 4.22 0.81 -5.21 1.01 -1.26 -1.18 120.40 121.13 3gfq s VAL 129 Ca 0.40 1.30 -0.13 0.00 0.00 0.00 0.00 61.98 63.55 3gfq s VAL 129 Cb -0.03 -4.49 0.09 0.00 0.00 0.00 0.00 36.38 31.95 3gfq s VAL 129 CO -0.03 -0.83 1.20 0.27 0.00 0.00 0.00 175.10 175.71 3gfq s ILE 130 N 4.41 2.05 0.25 2.22 -4.36 -0.73 -4.92 121.20 120.12 3gfq s ILE 130 Ca 0.50 0.02 -0.03 0.00 -0.26 0.00 0.00 60.65 60.88 3gfq s ILE 130 Cb -0.10 -2.41 0.11 0.00 1.25 0.00 0.00 42.46 41.31 3gfq s ILE 130 CO 0.28 -0.02 1.75 -0.65 0.24 0.00 0.00 174.94 176.54 3gfq h PRO 131 N -0.94 0.82 -6.37 0.37 0.11 -1.95 -3.44 132.00 120.60 3gfq h PRO 131 Ca -0.46 -0.23 -0.54 0.00 0.11 0.00 0.00 66.00 64.88 3gfq h PRO 131 Cb 1.29 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3gfq h PRO 131 CO 0.46 0.82 0.87 0.21 -0.21 0.00 0.00 178.00 180.15 3gfq s LYS 132 N -4.98 4.26 0.00 1.05 2.47 -1.26 -5.01 119.74 116.27 3gfq s LYS 132 Ca -0.10 2.01 -0.05 0.00 -1.56 0.00 0.00 55.97 56.28 3gfq s LYS 132 Cb 0.14 -3.61 -0.00 0.00 -1.46 0.00 0.00 37.83 32.91 3gfq s LYS 132 CO 0.82 -0.62 0.08 1.14 0.16 0.00 0.00 175.35 176.93 3gfq s GLN 133 N 2.56 0.38 0.08 4.03 -2.07 -1.26 -4.21 119.66 119.17 3gfq s GLN 133 Ca 0.65 -0.38 0.08 0.00 -1.82 0.00 0.00 55.36 53.89 3gfq s GLN 133 Cb -0.32 0.15 -0.03 0.00 -1.09 0.00 0.00 33.01 31.72 3gfq s GLN 133 CO 0.27 -0.08 -0.22 -0.51 -1.32 0.00 0.00 175.29 173.43 3gfq s LEU 134 N -1.20 2.24 -0.17 2.60 1.43 -1.03 -5.02 118.68 117.54 3gfq s LEU 134 Ca -0.13 -0.63 0.01 0.00 -1.03 0.00 0.00 54.13 52.35 3gfq s LEU 134 Cb -0.07 -1.00 0.03 0.00 0.03 0.00 0.00 46.19 45.18 3gfq s LEU 134 CO 0.01 0.13 -0.13 -0.69 0.23 0.00 0.00 176.35 175.90 3gfq s VAL 135 N -0.99 1.63 -0.16 -1.59 1.01 -1.26 -0.52 120.40 118.53 3gfq s VAL 135 Ca 0.08 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 3gfq s VAL 135 Cb -0.10 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 3gfq s VAL 135 CO 0.03 0.33 0.03 -0.76 0.00 0.00 0.00 175.10 174.73 3gfq s LEU 136 N 1.43 3.63 0.24 3.92 1.43 -0.01 -4.90 118.68 124.43 3gfq s LEU 136 Ca 0.02 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 3gfq s LEU 136 Cb -0.14 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 3gfq s LEU 136 CO -0.10 0.21 0.42 -1.81 0.23 0.00 0.00 176.35 175.30 3gfq s ASP 137 N 0.13 6.35 0.58 2.29 -0.00 -1.26 -0.70 116.67 124.06 3gfq s ASP 137 Ca 0.03 0.33 0.34 0.00 -0.00 0.00 0.00 52.55 53.24 3gfq s ASP 137 Cb -0.13 -1.98 1.35 0.00 -0.00 0.00 0.00 42.92 42.17 3gfq s ASP 137 CO 0.01 -0.10 1.62 -0.65 -0.00 0.00 0.00 175.17 176.05 3gfq h PRO 138 N 1.54 0.00 -0.32 8.23 0.11 -1.83 0.23 132.00 139.96 3gfq h PRO 138 Ca -0.49 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.69 3gfq h PRO 138 Cb 1.21 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.24 3gfq h PRO 138 CO 0.65 0.00 -0.23 0.28 -0.21 0.00 0.00 178.00 178.49 3gfq h VAL 139 N 0.00 0.39 0.00 3.15 2.07 -1.94 -0.88 116.25 119.05 3gfq h VAL 139 Ca 0.51 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.03 3gfq h VAL 139 Cb 2.46 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 3gfq h VAL 139 CO -0.01 0.00 0.00 1.41 0.02 0.00 0.00 177.57 178.99 3gfq n HIS 140 N -5.38 0.00 -4.39 1.57 8.25 0.81 -4.62 115.22 111.47 3gfq n HIS 140 Ca 0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.13 3gfq n HIS 140 Cb 0.29 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.25 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 -2.00 2.72 -0.67 1.59 -1.09 -0.34 -1.13 121.20 120.29 3gfq s ILE 141 Ca 0.19 -0.74 0.11 0.00 -2.23 0.00 0.00 60.65 57.98 3gfq s ILE 141 Cb 0.09 -2.17 0.57 0.00 -1.58 0.00 0.00 42.46 39.37 3gfq s ILE 141 CO 0.15 0.50 1.39 -0.67 -1.23 0.00 0.00 174.94 175.08 3gfq n ASP 142 N 4.22 4.16 0.00 3.58 -0.08 0.82 -4.92 116.55 124.33 3gfq n ASP 142 Ca -0.19 -2.57 0.00 0.00 -1.51 0.00 0.00 54.79 50.52 3gfq n ASP 142 Cb 0.51 -0.60 0.00 0.00 2.34 0.00 0.00 41.12 43.38 3gfq n ASP 142 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 3gfq n VAL 143 N 0.52 0.00 -0.04 5.18 3.14 -1.26 -0.62 118.33 125.25 3gfq n VAL 143 Ca 0.19 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.49 3gfq n VAL 143 Cb 0.86 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.61 3gfq n VAL 143 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 3gfq h GLU 144 N 0.00 0.01 0.00 1.45 5.08 -1.94 0.10 114.58 119.28 3gfq h GLU 144 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gfq h GLU 144 Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3gfq h GLU 144 CO 0.00 0.01 0.00 0.09 -1.00 0.00 0.00 179.01 178.11 3gfq n ASN 145 N -5.19 0.00 -3.76 1.42 4.13 0.20 -4.89 115.26 107.18 3gfq n ASN 145 Ca -0.03 -0.57 -0.25 0.00 1.68 0.00 0.00 54.58 55.41 3gfq n ASN 145 Cb 0.12 -0.05 0.02 0.00 -1.54 0.00 0.00 39.78 38.33 3gfq n ASN 145 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gfq n ALA 146 N -1.05 -2.19 -3.58 5.41 0.00 0.36 -4.97 120.51 114.49 3gfq n ALA 146 Ca 0.16 -0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.29 3gfq n ALA 146 Cb 0.09 -2.55 -0.02 0.00 0.00 0.00 0.00 19.45 16.97 3gfq n ALA 146 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3gfq s THR 147 N -3.70 0.00 0.33 0.00 2.01 -1.26 -4.98 115.64 108.04 3gfq s THR 147 Ca 0.15 -0.57 -0.09 0.00 0.31 0.00 0.00 61.69 61.49 3gfq s THR 147 Cb -0.05 -1.54 -0.06 0.00 0.01 0.00 0.00 72.50 70.86 3gfq s THR 147 CO 0.85 -0.02 0.65 -0.69 -0.69 0.00 0.00 174.62 174.72 3gfq s VAL 148 N -3.85 4.88 0.99 3.82 1.01 -1.26 -0.13 120.40 125.87 3gfq s VAL 148 Ca 0.07 0.43 -0.12 0.00 0.00 0.00 0.00 61.98 62.36 3gfq s VAL 148 Cb -0.03 -3.70 0.18 0.00 0.00 0.00 0.00 36.38 32.83 3gfq s VAL 148 CO -0.03 -0.34 1.08 0.00 0.00 0.00 0.00 175.10 175.82 3gfq s ALA 149 N -2.14 0.87 -0.06 5.51 0.00 -0.28 -4.84 121.76 120.83 3gfq s ALA 149 Ca 0.48 -0.02 -0.23 0.00 0.00 0.00 0.00 51.96 52.19 3gfq s ALA 149 Cb -0.11 -3.24 -0.28 0.00 0.00 0.00 0.00 23.12 19.50 3gfq s ALA 149 CO 0.28 -2.91 0.93 0.93 0.00 0.00 0.00 175.76 174.99 3gfq h GLU 150 N -1.96 0.24 -0.16 0.00 4.39 -1.97 -3.28 114.58 111.84 3gfq h GLU 150 Ca -0.53 -0.35 0.05 0.00 0.34 0.00 0.00 59.36 58.87 3gfq h GLU 150 Cb 1.30 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 30.06 3gfq h GLU 150 CO 0.52 1.12 0.26 -2.95 -1.16 0.00 0.00 179.01 176.80 3gfq h ASN 151 N -0.46 0.00 -0.02 1.42 -1.07 -1.99 -1.21 115.58 112.24 3gfq h ASN 151 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.29 3gfq h ASN 151 Cb 1.35 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.60 3gfq h ASN 151 CO 0.10 0.00 0.00 0.00 0.07 0.00 0.00 177.43 177.60 3gfq n ILE 152 N -3.44 0.00 0.06 6.14 3.06 -1.25 -4.29 119.36 119.64 3gfq n ILE 152 Ca 0.01 -0.50 -0.04 0.00 -2.50 0.00 0.00 62.75 59.72 3gfq n ILE 152 Cb 0.37 1.35 0.17 0.00 0.54 0.00 0.00 39.64 42.07 3gfq n ILE 152 CO 0.00 0.00 0.00 0.11 -2.50 0.00 0.00 176.55 174.16 3gfq h LYS 153 N 3.33 0.35 -0.13 9.51 1.57 -1.28 -2.66 116.57 127.25 3gfq h LYS 153 Ca 0.00 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 3gfq h LYS 153 Cb 0.71 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 3gfq h LYS 153 CO 0.00 0.72 0.00 0.93 -0.57 0.00 0.00 179.45 180.54 3gfq h GLU 154 N 0.29 0.23 -0.49 3.15 4.39 -1.75 -1.96 114.58 118.44 3gfq h GLU 154 Ca 0.02 -0.07 0.10 0.00 0.34 0.00 0.00 59.36 59.75 3gfq h GLU 154 Cb 0.89 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.42 3gfq h GLU 154 CO 0.07 0.46 -0.08 0.77 -1.16 0.00 0.00 179.01 179.07 3gfq h SER 155 N -0.02 -0.37 -0.30 1.42 0.02 -1.75 -0.10 113.55 112.44 3gfq h SER 155 Ca 0.04 0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 3gfq h SER 155 Cb 0.35 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 3gfq h SER 155 CO 0.01 -0.13 0.12 0.40 -1.14 0.00 0.00 176.83 176.09 3gfq h ILE 156 N 0.04 1.17 -0.54 3.27 2.04 -1.46 -2.07 117.51 119.96 3gfq h ILE 156 Ca 0.24 -0.53 0.11 0.00 1.00 0.00 0.00 64.86 65.68 3gfq h ILE 156 Cb 0.37 0.96 -0.10 0.00 -0.74 0.00 0.00 36.82 37.32 3gfq h ILE 156 CO -0.48 0.18 -0.11 0.50 0.00 0.00 0.00 178.15 178.25 3gfq h LYS 157 N 0.34 0.02 -0.93 2.37 3.64 -0.49 0.15 116.57 121.66 3gfq h LYS 157 Ca 0.10 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.52 3gfq h LYS 157 Cb 0.17 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.93 3gfq h LYS 157 CO -0.01 0.01 0.60 0.93 -2.27 0.00 0.00 179.45 178.72 3gfq h GLU 158 N 0.02 1.11 -0.22 1.90 5.08 -0.80 -0.12 114.58 121.55 3gfq h GLU 158 Ca 0.26 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 3gfq h GLU 158 Cb 0.40 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3gfq h GLU 158 CO -0.53 0.73 -0.01 1.25 -1.00 0.00 0.00 179.01 179.45 3gfq h LEU 159 N 1.14 0.38 -0.40 1.33 5.85 -0.30 -1.09 115.31 122.22 3gfq h LEU 159 Ca 0.38 -0.32 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 3gfq h LEU 159 Cb 0.06 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3gfq h LEU 159 CO -0.14 0.61 -0.12 0.58 -0.34 0.00 0.00 178.44 179.02 3gfq h VAL 160 N 0.15 1.28 -0.74 1.05 2.07 -0.60 -1.43 116.25 118.01 3gfq h VAL 160 Ca 0.06 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 3gfq h VAL 160 Cb 0.41 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 3gfq h VAL 160 CO 0.01 0.41 0.41 -0.33 0.02 0.00 0.00 177.57 178.10 3gfq h GLU 161 N 0.60 1.04 -0.25 1.57 5.08 -0.99 -1.37 114.58 120.25 3gfq h GLU 161 Ca 0.10 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 3gfq h GLU 161 Cb 0.65 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3gfq h GLU 161 CO 0.04 0.77 -0.41 1.49 -1.00 0.00 0.00 179.01 179.90 3gfq h GLU 162 N 1.03 0.61 -0.79 2.33 4.81 -1.09 -2.40 114.58 119.08 3gfq h GLU 162 Ca 0.26 -0.32 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 3gfq h GLU 162 Cb 0.03 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 3gfq h GLU 162 CO -0.04 0.91 0.34 1.25 -0.73 0.00 0.00 179.01 180.74 3gfq h LEU 163 N 0.50 1.06 0.17 1.64 5.85 -0.95 -1.66 115.31 121.92 3gfq h LEU 163 Ca 0.04 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.62 3gfq h LEU 163 Cb 0.93 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 3gfq h LEU 163 CO 0.08 0.92 -0.19 0.28 -0.34 0.00 0.00 178.44 179.19 3gfq h SER 164 N 1.13 -0.52 -0.63 1.25 0.02 -0.98 0.89 113.55 114.71 3gfq h SER 164 Ca 0.27 0.05 0.12 0.00 -0.84 0.00 0.00 61.79 61.39 3gfq h SER 164 Cb 0.17 0.19 -0.09 0.00 0.14 0.00 0.00 62.40 62.81 3gfq h SER 164 CO -0.03 -0.29 0.16 -0.03 -1.14 0.00 0.00 176.83 175.51 3gfq h MET 165 N -0.41 0.29 -0.76 3.45 1.85 -1.19 -0.17 114.93 118.00 3gfq h MET 165 Ca 0.01 -0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 59.04 3gfq h MET 165 Cb 0.39 -0.07 -0.03 0.00 0.43 0.00 0.00 31.60 32.33 3gfq h MET 165 CO -0.06 0.19 0.31 0.74 -0.40 0.00 0.00 176.91 177.69 3gfq h PHE 166 N 0.30 1.14 -0.54 1.39 -1.00 -0.94 -1.71 116.94 115.58 3gfq h PHE 166 Ca 0.33 -0.08 0.07 0.00 2.81 0.00 0.00 57.97 61.10 3gfq h PHE 166 Cb 0.50 -0.34 -0.06 0.00 3.61 0.00 0.00 35.95 39.66 3gfq h PHE 166 CO -0.23 0.86 0.22 0.00 -1.61 0.00 0.00 178.31 177.55 3gfq h ALA 167 N 1.16 0.68 -0.16 2.45 0.00 0.62 -2.67 119.26 121.33 3gfq h ALA 167 Ca 0.25 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 3gfq h ALA 167 Cb 0.20 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3gfq h ALA 167 CO -0.02 -0.17 -0.32 0.87 0.00 0.00 0.00 179.25 179.61 3gfq h LYS 168 N 0.42 0.33 0.00 0.00 1.57 -0.61 -3.42 116.57 114.85 3gfq h LYS 168 Ca 0.26 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3gfq h LYS 168 Cb 0.25 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3gfq h LYS 168 CO -0.24 0.61 0.00 0.00 -0.57 0.00 0.00 179.45 179.26 3gfq n ALA 169 N -2.48 0.00 0.00 3.86 0.00 -0.69 -5.11 120.51 116.09 3gfq n ALA 169 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3gfq n ALA 169 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 3gfq n ALA 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91