#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gf9 s TYR 2 N 0.00 3.18 0.50 5.64 2.02 -1.26 -1.29 117.35 126.14 1gf9 s TYR 2 Ca 0.00 -0.08 -0.12 0.00 -0.37 0.00 0.00 57.07 56.50 1gf9 s TYR 2 Cb 0.00 -2.28 -0.06 0.00 -0.40 0.00 0.00 41.96 39.22 1gf9 s TYR 2 CO 0.00 -0.18 0.91 -0.06 -1.57 0.00 0.00 175.55 174.65 1gf9 s PHE 3 N 1.47 3.52 0.32 2.71 0.08 -0.46 -5.00 117.98 120.61 1gf9 s PHE 3 Ca 0.06 1.21 -0.07 0.00 0.12 0.00 0.00 56.93 58.25 1gf9 s PHE 3 Cb -0.15 -2.60 -0.06 0.00 -0.57 0.00 0.00 43.02 39.64 1gf9 s PHE 3 CO 0.06 -0.36 0.62 -1.21 -0.10 0.00 0.00 175.22 174.24 1gf9 s GLU 4 N -4.36 3.69 0.04 0.44 0.41 -1.26 -4.88 118.70 112.78 1gf9 s GLU 4 Ca 0.54 0.17 -0.12 0.00 -0.41 0.00 0.00 54.97 55.16 1gf9 s GLU 4 Cb -0.10 -2.56 -0.04 0.00 -1.78 0.00 0.00 34.13 29.64 1gf9 s GLU 4 CO 0.39 0.14 1.20 -0.09 -0.49 0.00 0.00 175.26 176.40 1gf9 h ARG 5 N 1.60 -0.16 -0.01 1.61 2.43 -1.97 -1.72 114.38 116.15 1gf9 h ARG 5 Ca -0.47 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.65 1gf9 h ARG 5 Cb 1.19 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 1gf9 h ARG 5 CO 0.66 -0.11 -0.26 0.00 -1.51 0.00 0.00 179.97 178.74 1gf9 h GLU 7 N 0.02 0.56 -0.36 0.00 4.81 -1.90 -1.62 114.58 116.08 1gf9 h GLU 7 Ca 0.00 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1gf9 h GLU 7 Cb 0.48 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1gf9 h GLU 7 CO 0.03 0.38 -0.12 1.25 -0.73 0.00 0.00 179.01 179.83 1gf9 h LEU 8 N 0.57 0.73 -0.50 1.64 5.85 -0.82 -1.26 115.31 121.51 1gf9 h LEU 8 Ca 0.15 -0.38 0.08 0.00 0.84 0.00 0.00 57.88 58.57 1gf9 h LEU 8 Cb -0.06 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.71 1gf9 h LEU 8 CO -0.03 0.94 0.14 0.00 -0.34 0.00 0.00 178.44 179.14 1gf9 h ALA 9 N 0.81 0.59 -0.13 1.25 0.00 -0.81 0.13 119.26 121.10 1gf9 h ALA 9 Ca 0.09 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1gf9 h ALA 9 Cb 0.64 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1gf9 h ALA 9 CO 0.04 -0.27 -0.56 0.00 0.00 0.00 0.00 179.25 178.47 1gf9 h ARG 10 N 0.29 0.39 -0.58 0.00 3.08 -1.26 -0.79 114.38 115.51 1gf9 h ARG 10 Ca 0.25 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1gf9 h ARG 10 Cb 0.30 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1gf9 h ARG 10 CO -0.29 0.84 0.26 1.15 -1.07 0.00 0.00 179.97 180.86 1gf9 h THR 11 N 0.30 1.21 -0.39 2.04 2.02 -0.34 0.63 112.91 118.38 1gf9 h THR 11 Ca 0.00 -0.63 -0.13 0.00 0.77 0.00 0.00 66.41 66.42 1gf9 h THR 11 Cb 1.07 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1gf9 h THR 11 CO 0.10 0.25 -0.27 -0.07 0.37 0.00 0.00 175.52 175.90 1gf9 h LEU 12 N 0.79 0.92 -0.61 2.58 3.38 -0.65 -2.56 115.31 119.16 1gf9 h LEU 12 Ca 0.20 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1gf9 h LEU 12 Cb 0.15 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1gf9 h LEU 12 CO -0.02 1.15 0.34 0.50 0.09 0.00 0.00 178.44 180.50 1gf9 h LYS 13 N 0.69 0.85 -0.05 1.13 3.64 -0.82 -1.75 116.57 120.27 1gf9 h LYS 13 Ca 0.08 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1gf9 h LYS 13 Cb 0.84 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1gf9 h LYS 13 CO 0.07 0.64 -0.10 0.00 -2.27 0.00 0.00 179.45 177.79 1gf9 h ARG 14 N 0.83 0.07 -0.06 1.90 3.08 -0.81 -1.55 114.38 117.84 1gf9 h ARG 14 Ca 0.21 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1gf9 h ARG 14 Cb 0.04 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1gf9 h ARG 14 CO -0.04 0.18 0.00 1.28 -1.07 0.00 0.00 179.97 180.33 1gf9 n LEU 15 N -4.37 0.51 -0.28 3.04 4.77 -0.71 -4.91 117.00 115.05 1gf9 n LEU 15 Ca -0.02 -0.22 -0.02 0.00 -0.03 0.00 0.00 56.01 55.71 1gf9 n LEU 15 Cb 0.20 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1gf9 n LEU 15 CO 0.36 0.11 -0.03 0.61 -1.33 0.00 0.00 177.39 177.11 1gf9 n GLY 16 N 0.84 0.29 0.08 -0.72 0.00 -0.58 -4.97 105.19 100.12 1gf9 n GLY 16 Ca 0.12 -0.80 0.12 0.00 0.00 0.00 0.00 46.02 45.46 1gf9 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1gf9 h MET 17 N 0.00 0.00 -6.18 1.61 2.86 -1.57 -3.41 114.93 108.24 1gf9 h MET 17 Ca -0.06 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.04 1gf9 h MET 17 Cb 0.97 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.60 1gf9 h MET 17 CO 0.07 0.00 1.28 0.34 1.06 0.00 0.00 176.91 179.66 1gf9 s ASP 18 N -4.43 5.69 0.00 1.22 -1.08 -1.26 -2.34 116.67 114.46 1gf9 s ASP 18 Ca 0.06 0.82 0.00 0.00 -0.52 0.00 0.00 52.55 52.91 1gf9 s ASP 18 Cb 0.13 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.06 1gf9 s ASP 18 CO 0.71 -1.96 0.00 0.61 0.52 0.00 0.00 175.17 175.05 1gf9 n GLY 19 N 5.49 0.49 3.68 2.66 0.00 0.78 -4.92 105.19 113.37 1gf9 n GLY 19 Ca 0.21 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1gf9 n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1gf9 s TYR 20 N -2.00 2.00 -1.45 1.61 5.04 -0.99 -0.87 117.35 120.70 1gf9 s TYR 20 Ca 0.00 0.04 -0.11 0.00 -2.44 0.00 0.00 57.07 54.56 1gf9 s TYR 20 Cb 0.00 -4.06 0.08 0.00 0.35 0.00 0.00 41.96 38.33 1gf9 s TYR 20 CO 0.00 -4.45 0.71 0.54 -1.34 0.00 0.00 175.55 171.01 1gf9 n ARG 21 N 6.42 -4.32 -1.18 4.97 5.12 -1.26 -1.16 116.66 125.24 1gf9 n ARG 21 Ca 0.17 0.56 -0.06 0.00 -1.93 0.00 0.00 57.85 56.60 1gf9 n ARG 21 Cb 0.41 -5.36 -0.03 0.00 -1.16 0.00 0.00 32.46 26.32 1gf9 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gf9 n GLY 22 N -1.42 0.83 3.55 -0.13 0.00 -0.05 -5.01 105.19 102.96 1gf9 n GLY 22 Ca 0.00 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 1gf9 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gf9 s ILE 23 N -2.10 5.06 0.76 -0.61 1.01 -0.31 -4.90 121.20 120.10 1gf9 s ILE 23 Ca 0.00 0.03 -0.13 0.00 0.00 0.00 0.00 60.65 60.55 1gf9 s ILE 23 Cb 0.00 -3.43 0.05 0.00 0.01 0.00 0.00 42.46 39.10 1gf9 s ILE 23 CO 0.00 0.24 1.13 -0.94 0.00 0.00 0.00 174.94 175.37 1gf9 s SER 24 N 1.72 4.29 0.25 3.58 1.04 -1.26 -0.15 113.70 123.16 1gf9 s SER 24 Ca 0.07 2.07 -0.06 0.00 0.48 0.00 0.00 55.95 58.51 1gf9 s SER 24 Cb -0.16 -2.55 0.29 0.00 0.10 0.00 0.00 66.02 63.70 1gf9 s SER 24 CO 0.09 -2.18 1.90 0.25 0.98 0.00 0.00 173.24 174.27 1gf9 h LEU 25 N -0.75 1.03 -1.79 2.42 5.85 -1.91 -2.10 115.31 118.06 1gf9 h LEU 25 Ca -0.45 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 1gf9 h LEU 25 Cb 1.26 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1gf9 h LEU 25 CO 0.50 0.71 0.02 0.00 -0.34 0.00 0.00 178.44 179.33 1gf9 h ALA 26 N 1.38 1.84 -0.38 1.25 0.00 -1.92 0.17 119.26 121.60 1gf9 h ALA 26 Ca 0.37 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 1gf9 h ALA 26 Cb -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1gf9 h ALA 26 CO -0.12 0.13 -0.21 -0.91 0.00 0.00 0.00 179.25 178.15 1gf9 h ASN 27 N 0.15 0.84 -0.50 0.00 2.35 -1.72 -0.30 115.58 116.41 1gf9 h ASN 27 Ca 0.04 -0.41 -0.10 0.00 -0.55 0.00 0.00 56.30 55.27 1gf9 h ASN 27 Cb 0.07 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1gf9 h ASN 27 CO -0.00 1.07 -0.07 -0.50 -1.65 0.00 0.00 177.43 176.27 1gf9 h TRP 28 N 0.60 1.06 -0.23 1.19 4.06 -1.09 -1.14 115.95 120.42 1gf9 h TRP 28 Ca 0.08 -0.20 -0.01 0.00 2.06 0.00 0.00 58.89 60.82 1gf9 h TRP 28 Cb 0.76 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.64 1gf9 h TRP 28 CO 0.06 0.98 0.11 0.52 -3.56 0.00 0.00 178.44 176.55 1gf9 h MET 29 N 0.87 0.33 -0.83 0.49 2.86 -0.83 -0.50 114.93 117.32 1gf9 h MET 29 Ca 0.15 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.76 1gf9 h MET 29 Cb 0.61 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.16 1gf9 h MET 29 CO 0.04 0.34 0.54 0.00 1.06 0.00 0.00 176.91 178.89 1gf9 h LEU 31 N 1.06 -0.20 -1.11 0.00 5.85 -0.86 -1.64 115.31 118.41 1gf9 h LEU 31 Ca 0.32 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 1gf9 h LEU 31 Cb -0.03 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1gf9 h LEU 31 CO -0.10 -0.08 0.45 0.00 -0.34 0.00 0.00 178.44 178.37 1gf9 h ALA 32 N 0.51 1.33 0.27 1.25 0.00 -0.83 0.19 119.26 121.99 1gf9 h ALA 32 Ca -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1gf9 h ALA 32 Cb 0.24 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1gf9 h ALA 32 CO 0.04 0.57 -0.13 -0.22 0.00 0.00 0.00 179.25 179.50 1gf9 h LYS 33 N 1.08 -0.35 0.00 0.00 1.63 -0.82 -1.75 116.57 116.36 1gf9 h LYS 33 Ca 0.28 0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 60.04 1gf9 h LYS 33 Cb -0.01 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 1gf9 h LYS 33 CO -0.05 -0.19 -0.31 -1.49 -3.45 0.00 0.00 179.45 173.96 1gf9 h TRP 34 N -0.43 0.00 0.10 1.91 4.06 -1.13 -0.08 115.95 120.38 1gf9 h TRP 34 Ca -0.04 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.70 1gf9 h TRP 34 Cb 0.33 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.51 1gf9 h TRP 34 CO -0.04 0.31 -0.88 0.93 -3.56 0.00 0.00 178.44 175.21 1gf9 h GLU 35 N 0.00 0.42 0.00 0.49 4.39 -0.90 -3.43 114.58 115.55 1gf9 h GLU 35 Ca -0.00 -0.58 0.00 0.00 0.34 0.00 0.00 59.36 59.11 1gf9 h GLU 35 Cb 1.03 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1gf9 h GLU 35 CO 0.04 1.24 0.00 -1.13 -1.16 0.00 0.00 179.01 178.00 1gf9 n SER 36 N -4.06 0.04 -0.97 1.42 3.41 -0.70 -4.81 113.62 107.95 1gf9 n SER 36 Ca -0.13 -0.66 -0.10 0.00 -0.26 0.00 0.00 58.87 57.72 1gf9 n SER 36 Cb 0.83 0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.77 1gf9 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gf9 n GLY 37 N 0.02 0.54 2.17 5.00 0.00 -0.04 -2.54 105.19 110.34 1gf9 n GLY 37 Ca 0.00 -0.51 -0.07 0.00 0.00 0.00 0.00 46.02 45.43 1gf9 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gf9 n TYR 38 N -3.37 -0.19 -3.47 1.61 0.53 -1.16 -4.77 117.16 106.34 1gf9 n TYR 38 Ca -0.11 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.34 1gf9 n TYR 38 Cb 0.47 -1.81 -0.10 0.00 -1.03 0.00 0.00 39.34 36.87 1gf9 n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1gf9 s ASN 39 N -2.78 6.11 0.53 7.72 2.47 -1.05 -1.36 114.94 126.58 1gf9 s ASN 39 Ca 0.00 -0.85 0.35 0.00 0.42 0.00 0.00 52.86 52.78 1gf9 s ASN 39 Cb 0.00 -2.16 1.56 0.00 -1.45 0.00 0.00 41.25 39.20 1gf9 s ASN 39 CO 0.00 -0.43 2.03 0.71 -3.72 0.00 0.00 177.10 175.69 1gf9 h THR 40 N 5.62 0.00 -0.02 -5.21 1.35 -1.51 -2.60 112.91 110.54 1gf9 h THR 40 Ca -0.27 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1gf9 h THR 40 Cb 1.12 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1gf9 h THR 40 CO 0.72 0.00 -0.04 0.54 -0.25 0.00 0.00 175.52 176.49 1gf9 n ARG 41 N -2.95 1.81 -1.73 4.72 1.74 -1.26 -4.02 116.66 114.96 1gf9 n ARG 41 Ca -0.00 -1.26 -0.42 0.00 -0.77 0.00 0.00 57.85 55.40 1gf9 n ARG 41 Cb 0.23 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.19 1gf9 n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gf9 n ALA 42 N 0.50 1.83 -3.11 7.54 0.00 -0.98 -4.78 120.51 121.50 1gf9 n ALA 42 Ca 0.16 0.36 -0.12 0.00 0.00 0.00 0.00 53.44 53.85 1gf9 n ALA 42 Cb 0.44 -2.34 -0.10 0.00 0.00 0.00 0.00 19.45 17.45 1gf9 n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1gf9 s THR 43 N -0.90 0.06 -0.15 0.00 -4.23 -1.26 -0.76 115.64 108.40 1gf9 s THR 43 Ca 0.57 -0.48 -0.04 0.00 -1.18 0.00 0.00 61.69 60.55 1gf9 s THR 43 Cb -0.53 -0.41 0.07 0.00 1.34 0.00 0.00 72.50 72.98 1gf9 s THR 43 CO 0.60 -0.26 0.23 0.21 -0.54 0.00 0.00 174.62 174.86 1gf9 s ASN 44 N -0.97 0.77 0.02 3.99 2.47 -0.86 -4.97 114.94 115.39 1gf9 s ASN 44 Ca -0.11 0.25 -0.24 0.00 0.42 0.00 0.00 52.86 53.18 1gf9 s ASN 44 Cb -0.06 0.53 -0.05 0.00 -1.45 0.00 0.00 41.25 40.22 1gf9 s ASN 44 CO 0.01 -0.27 0.74 -0.47 -3.72 0.00 0.00 177.10 173.40 1gf9 s TYR 45 N 2.37 3.70 -0.62 0.43 6.14 -1.26 -0.86 117.35 127.25 1gf9 s TYR 45 Ca 0.04 1.42 -0.09 0.00 0.64 0.00 0.00 57.07 59.08 1gf9 s TYR 45 Cb -0.13 -2.80 0.16 0.00 0.42 0.00 0.00 41.96 39.60 1gf9 s TYR 45 CO -0.09 0.24 0.50 -0.80 0.64 0.00 0.00 175.55 176.04 1gf9 s ASN 46 N 0.09 5.90 0.52 4.32 0.01 0.60 -4.95 114.94 121.44 1gf9 s ASN 46 Ca 0.38 -2.41 0.18 0.00 -0.71 0.00 0.00 52.86 50.31 1gf9 s ASN 46 Cb -0.20 -2.03 1.31 0.00 0.41 0.00 0.00 41.25 40.73 1gf9 s ASN 46 CO 0.22 -0.57 2.11 0.00 -1.51 0.00 0.00 177.10 177.35 1gf9 h ALA 47 N 7.87 2.12 -0.66 0.60 0.00 -1.95 -0.34 119.26 126.90 1gf9 h ALA 47 Ca -0.07 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1gf9 h ALA 47 Cb 1.03 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1gf9 h ALA 47 CO 0.80 -0.16 0.43 0.78 0.00 0.00 0.00 179.25 181.09 1gf9 h GLY 48 N 0.00 0.93 -0.02 0.00 0.00 -1.95 -3.27 103.07 98.76 1gf9 h GLY 48 Ca 0.06 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1gf9 h GLY 48 CO -0.00 0.31 -0.01 2.09 0.00 0.00 0.00 176.54 178.93 1gf9 n ASP 49 N -4.65 1.87 -1.91 0.19 5.75 -1.13 -5.01 116.55 111.66 1gf9 n ASP 49 Ca 0.06 -2.12 -0.18 0.00 -0.01 0.00 0.00 54.79 52.53 1gf9 n ASP 49 Cb 0.04 -0.08 -0.03 0.00 -1.03 0.00 0.00 41.12 40.02 1gf9 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gf9 n ARG 50 N -0.63 -1.41 -3.71 0.11 1.74 -0.15 -4.80 116.66 107.81 1gf9 n ARG 50 Ca 0.03 0.95 -0.22 0.00 -0.77 0.00 0.00 57.85 57.84 1gf9 n ARG 50 Cb 0.35 -5.40 -0.04 0.00 -1.02 0.00 0.00 32.46 26.35 1gf9 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1gf9 s SER 51 N -2.33 4.87 -0.01 0.55 1.04 -1.15 -4.50 113.70 112.17 1gf9 s SER 51 Ca 0.00 -0.87 0.02 0.00 0.48 0.00 0.00 55.95 55.58 1gf9 s SER 51 Cb 0.00 -0.45 -0.00 0.00 0.10 0.00 0.00 66.02 65.67 1gf9 s SER 51 CO 0.00 -0.68 -0.06 -0.89 0.98 0.00 0.00 173.24 172.59 1gf9 s THR 52 N -2.53 0.47 -0.14 2.02 2.01 -1.26 -0.29 115.64 115.91 1gf9 s THR 52 Ca 0.45 -0.25 -0.13 0.00 0.31 0.00 0.00 61.69 62.07 1gf9 s THR 52 Cb -0.02 -0.40 -0.05 0.00 0.01 0.00 0.00 72.50 72.05 1gf9 s THR 52 CO 0.26 0.13 0.28 -1.81 -0.69 0.00 0.00 174.62 172.80 1gf9 s ASP 53 N -0.12 6.45 -0.03 3.53 1.01 -0.04 -0.88 116.67 126.59 1gf9 s ASP 53 Ca 0.02 0.53 0.07 0.00 0.71 0.00 0.00 52.55 53.88 1gf9 s ASP 53 Cb -0.03 -2.17 -0.02 0.00 1.01 0.00 0.00 42.92 41.71 1gf9 s ASP 53 CO -0.00 0.16 -0.24 -0.31 0.21 0.00 0.00 175.17 174.99 1gf9 s TYR 54 N 0.17 2.41 0.00 4.23 2.02 0.54 -2.04 117.35 124.68 1gf9 s TYR 54 Ca 0.17 -0.45 0.00 0.00 -0.37 0.00 0.00 57.07 56.42 1gf9 s TYR 54 Cb -0.13 -1.54 0.00 0.00 -0.40 0.00 0.00 41.96 39.89 1gf9 s TYR 54 CO 0.04 -0.04 0.00 0.41 -1.57 0.00 0.00 175.55 174.40 1gf9 n GLY 55 N 2.53 -0.58 0.30 0.71 0.00 0.06 -1.52 105.19 106.69 1gf9 n GLY 55 Ca -0.16 -1.11 0.10 0.00 0.00 0.00 0.00 46.02 44.85 1gf9 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gf9 h ILE 56 N 0.00 0.96 -0.19 -0.61 2.10 -1.68 -1.11 117.51 116.98 1gf9 h ILE 56 Ca 0.00 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 65.89 1gf9 h ILE 56 Cb 0.00 0.78 0.00 0.00 -1.09 0.00 0.00 36.82 36.51 1gf9 h ILE 56 CO 0.00 0.03 0.00 0.49 -1.08 0.00 0.00 178.15 177.59 1gf9 n PHE 57 N -4.49 0.24 -3.75 2.19 0.99 -1.26 -4.00 117.46 107.38 1gf9 n PHE 57 Ca 0.02 -0.17 -0.29 0.00 -0.00 0.00 0.00 57.45 57.01 1gf9 n PHE 57 Cb 0.22 -0.01 0.03 0.00 -1.00 0.00 0.00 39.48 38.72 1gf9 n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1gf9 n GLN 58 N 0.96 -2.20 -2.56 -1.08 1.13 -0.42 -4.92 117.38 108.30 1gf9 n GLN 58 Ca 0.12 0.46 -0.42 0.00 -1.94 0.00 0.00 57.00 55.23 1gf9 n GLN 58 Cb 0.45 -4.36 -0.03 0.00 0.11 0.00 0.00 30.24 26.41 1gf9 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gf9 s ILE 59 N -3.62 4.40 0.19 5.09 1.01 -0.58 -4.35 121.20 123.34 1gf9 s ILE 59 Ca 0.30 1.74 -0.29 0.00 0.00 0.00 0.00 60.65 62.40 1gf9 s ILE 59 Cb -0.10 -4.12 -0.08 0.00 0.01 0.00 0.00 42.46 38.17 1gf9 s ILE 59 CO 0.86 0.15 0.89 0.21 0.00 0.00 0.00 174.94 177.05 1gf9 s ASN 60 N 0.95 7.53 0.41 3.58 3.84 -1.26 -0.34 114.94 129.66 1gf9 s ASN 60 Ca 0.55 1.82 0.29 0.00 0.21 0.00 0.00 52.86 55.73 1gf9 s ASN 60 Cb -0.26 -2.57 1.17 0.00 -0.55 0.00 0.00 41.25 39.04 1gf9 s ASN 60 CO 0.29 0.12 1.86 0.77 -2.79 0.00 0.00 177.10 177.34 1gf9 h SER 61 N 4.57 0.00 -0.55 -4.21 4.64 -1.25 -2.39 113.55 114.35 1gf9 h SER 61 Ca -0.45 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.83 1gf9 h SER 61 Cb 1.20 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 1gf9 h SER 61 CO 0.68 0.00 0.19 -0.09 -0.87 0.00 0.00 176.83 176.74 1gf9 h ARG 62 N 0.00 0.89 0.00 4.77 2.43 -1.84 -3.39 114.38 117.25 1gf9 h ARG 62 Ca 0.00 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1gf9 h ARG 62 Cb 0.46 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1gf9 h ARG 62 CO 0.00 0.77 -0.82 0.66 -1.51 0.00 0.00 179.97 179.07 1gf9 n TYR 63 N -4.29 0.00 -0.11 2.20 4.01 -1.21 0.35 117.16 118.11 1gf9 n TYR 63 Ca 0.05 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.65 1gf9 n TYR 63 Cb 0.20 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.10 1gf9 n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1gf9 n TRP 64 N -1.48 0.00 -4.16 -0.72 7.02 -0.90 -0.52 117.44 116.68 1gf9 n TRP 64 Ca 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.38 1gf9 n TRP 64 Cb 0.20 -0.95 -0.10 0.00 -2.42 0.00 0.00 31.31 28.05 1gf9 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1gf9 s ASN 66 N -3.03 5.50 0.00 0.00 2.47 0.12 -4.57 114.94 115.42 1gf9 s ASN 66 Ca 0.12 -0.07 0.04 0.00 0.42 0.00 0.00 52.86 53.37 1gf9 s ASN 66 Cb 0.06 -1.98 0.07 0.00 -1.45 0.00 0.00 41.25 37.95 1gf9 s ASN 66 CO -0.05 0.03 0.89 -0.90 -3.72 0.00 0.00 177.10 173.35 1gf9 n ASP 67 N 4.48 1.89 0.00 -4.21 5.68 -1.26 -1.39 116.55 121.74 1gf9 n ASP 67 Ca -0.16 -1.65 0.00 0.00 -0.50 0.00 0.00 54.79 52.48 1gf9 n ASP 67 Cb 0.52 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 1gf9 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gf9 n GLY 68 N -0.02 0.45 0.00 6.12 0.00 -1.26 -4.75 105.19 105.73 1gf9 n GLY 68 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1gf9 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1gf9 n LYS 69 N -2.00 2.80 -3.60 1.61 2.85 -1.26 -4.97 118.16 113.58 1gf9 n LYS 69 Ca 0.00 -1.43 -0.39 0.00 -1.05 0.00 0.00 58.31 55.44 1gf9 n LYS 69 Cb 0.00 -0.97 -0.11 0.00 -0.65 0.00 0.00 35.03 33.30 1gf9 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1gf9 s THR 70 N -0.93 4.98 -0.01 0.58 2.01 -1.26 -4.95 115.64 116.06 1gf9 s THR 70 Ca 0.00 -0.20 -0.35 0.00 0.31 0.00 0.00 61.69 61.45 1gf9 s THR 70 Cb 0.00 -3.49 -0.14 0.00 0.01 0.00 0.00 72.50 68.88 1gf9 s THR 70 CO 0.00 0.10 1.68 -2.65 -0.69 0.00 0.00 174.62 173.06 1gf9 n PRO 71 N 5.04 1.87 -3.18 4.92 -0.02 -1.26 -2.53 135.00 139.83 1gf9 n PRO 71 Ca -0.14 0.68 -0.22 0.00 -2.02 0.00 0.00 63.50 61.80 1gf9 n PRO 71 Cb 0.50 -2.45 0.01 0.00 -0.02 0.00 0.00 33.50 31.55 1gf9 n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gf9 n GLY 72 N 3.76 -0.50 3.89 -1.23 0.00 -1.26 -4.96 105.19 104.89 1gf9 n GLY 72 Ca 0.21 0.10 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 1gf9 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gf9 s ALA 73 N -3.00 3.31 0.51 4.61 0.00 -1.05 -5.02 121.76 121.11 1gf9 s ALA 73 Ca 0.34 -0.33 0.02 0.00 0.00 0.00 0.00 51.96 51.99 1gf9 s ALA 73 Cb -0.17 -2.75 -0.01 0.00 0.00 0.00 0.00 23.12 20.20 1gf9 s ALA 73 CO 0.42 -0.37 0.08 0.14 0.00 0.00 0.00 175.76 176.02 1gf9 s VAL 74 N -2.78 1.34 -0.39 0.00 -7.23 0.16 -4.99 120.40 106.50 1gf9 s VAL 74 Ca 0.50 -1.90 0.08 0.00 -1.81 0.00 0.00 61.98 58.84 1gf9 s VAL 74 Cb -0.10 -2.24 0.24 0.00 0.56 0.00 0.00 36.38 34.84 1gf9 s VAL 74 CO 0.44 0.00 0.51 -3.20 -0.31 0.00 0.00 175.10 172.54 1gf9 n ASN 75 N -1.33 0.15 0.10 4.85 5.15 -1.22 -3.85 115.26 119.11 1gf9 n ASN 75 Ca -0.15 -2.67 0.11 0.00 -0.60 0.00 0.00 54.58 51.27 1gf9 n ASN 75 Cb 0.66 -0.63 0.60 0.00 -0.53 0.00 0.00 39.78 39.88 1gf9 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gf9 h ALA 76 N 4.12 2.09 -0.00 5.20 0.00 -0.80 -0.37 119.26 129.49 1gf9 h ALA 76 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1gf9 h ALA 76 Cb 0.88 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1gf9 h ALA 76 CO 0.46 -0.16 -0.24 0.00 0.00 0.00 0.00 179.25 179.31 1gf9 n HIS 78 N -1.00 -2.03 -3.83 0.00 -0.00 -0.15 -4.94 115.22 103.27 1gf9 n HIS 78 Ca 0.11 0.53 -0.12 0.00 -0.00 0.00 0.00 57.72 58.25 1gf9 n HIS 78 Cb 0.32 -3.57 -0.10 0.00 -0.00 0.00 0.00 29.99 26.64 1gf9 n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1gf9 s LEU 79 N -6.23 1.34 0.40 2.41 1.43 -1.26 -5.07 118.68 111.69 1gf9 s LEU 79 Ca 0.47 -0.02 -0.24 0.00 -1.03 0.00 0.00 54.13 53.31 1gf9 s LEU 79 Cb -0.15 0.81 -0.09 0.00 0.03 0.00 0.00 46.19 46.79 1gf9 s LEU 79 CO 0.84 -0.33 1.07 -0.55 0.23 0.00 0.00 176.35 177.61 1gf9 s SER 80 N -1.07 6.71 0.60 2.29 0.15 -1.26 -0.71 113.70 120.41 1gf9 s SER 80 Ca -0.12 2.09 0.36 0.00 0.70 0.00 0.00 55.95 58.98 1gf9 s SER 80 Cb -0.06 -2.59 1.93 0.00 -1.71 0.00 0.00 66.02 63.60 1gf9 s SER 80 CO 0.02 -0.53 2.23 0.00 1.20 0.00 0.00 173.24 176.16 1gf9 h SER 82 N 0.00 0.40 0.32 0.00 0.87 -1.90 0.88 113.55 114.13 1gf9 h SER 82 Ca -0.00 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1gf9 h SER 82 Cb 0.14 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1gf9 h SER 82 CO 0.00 0.25 -0.03 0.00 -0.53 0.00 0.00 176.83 176.52 1gf9 h ALA 83 N 1.69 1.13 -0.31 6.23 0.00 -1.61 -0.31 119.26 126.09 1gf9 h ALA 83 Ca 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1gf9 h ALA 83 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1gf9 h ALA 83 CO -0.08 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.49 1gf9 n LEU 84 N -3.32 1.66 -0.10 0.00 4.77 0.30 -3.48 117.00 116.84 1gf9 n LEU 84 Ca -0.02 -0.83 0.04 0.00 -0.03 0.00 0.00 56.01 55.17 1gf9 n LEU 84 Cb 0.17 -0.21 0.07 0.00 -2.33 0.00 0.00 43.42 41.12 1gf9 n LEU 84 CO 0.25 0.42 0.54 0.18 -1.33 0.00 0.00 177.39 177.45 1gf9 n LEU 85 N 0.41 2.26 -4.88 2.23 4.77 -0.13 -3.06 117.00 118.60 1gf9 n LEU 85 Ca 0.11 -2.43 -0.30 0.00 -0.03 0.00 0.00 56.01 53.35 1gf9 n LEU 85 Cb 0.26 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 1gf9 n LEU 85 CO 0.07 0.60 0.49 -1.10 -1.33 0.00 0.00 177.39 176.12 1gf9 s GLN 86 N -1.75 3.75 0.25 3.23 -0.21 -1.23 -4.65 119.66 119.06 1gf9 s GLN 86 Ca 0.15 0.51 -0.02 0.00 0.02 0.00 0.00 55.36 56.02 1gf9 s GLN 86 Cb 0.12 -2.33 0.31 0.00 1.00 0.00 0.00 33.01 32.11 1gf9 s GLN 86 CO 0.02 -0.13 1.71 -0.44 -2.12 0.00 0.00 175.29 174.33 1gf9 h ASP 87 N 0.93 0.70 -3.03 5.90 5.19 -1.93 -3.40 116.42 120.77 1gf9 h ASP 87 Ca -0.47 -0.21 -0.57 0.00 -0.62 0.00 0.00 57.03 55.16 1gf9 h ASP 87 Cb 1.19 -0.19 -0.05 0.00 0.18 0.00 0.00 39.33 40.46 1gf9 h ASP 87 CO 0.63 0.85 0.86 0.21 -3.12 0.00 0.00 179.24 178.66 1gf9 s ASN 88 N -6.72 6.99 0.00 6.45 3.84 -1.26 -4.92 114.94 119.33 1gf9 s ASN 88 Ca -0.09 1.47 0.13 0.00 0.21 0.00 0.00 52.86 54.58 1gf9 s ASN 88 Cb 0.14 -2.54 0.37 0.00 -0.55 0.00 0.00 41.25 38.67 1gf9 s ASN 88 CO 0.81 -0.75 1.31 2.30 -2.79 0.00 0.00 177.10 177.98 1gf9 n ILE 89 N 5.45 0.56 -0.14 -5.21 -5.35 -1.26 -4.47 119.36 108.94 1gf9 n ILE 89 Ca 0.13 -0.56 -0.04 0.00 -0.27 0.00 0.00 62.75 62.02 1gf9 n ILE 89 Cb 0.46 0.28 0.04 0.00 -1.74 0.00 0.00 39.64 38.68 1gf9 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gf9 h ALA 90 N 3.77 0.45 -0.61 -1.28 0.00 -1.95 0.29 119.26 119.93 1gf9 h ALA 90 Ca 0.00 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1gf9 h ALA 90 Cb 0.56 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1gf9 h ALA 90 CO 0.00 -0.36 0.06 -0.44 0.00 0.00 0.00 179.25 178.51 1gf9 h ASP 91 N 0.16 0.99 -0.35 0.00 3.45 -1.87 -0.53 116.42 118.27 1gf9 h ASP 91 Ca 0.22 -0.25 -0.07 0.00 0.43 0.00 0.00 57.03 57.36 1gf9 h ASP 91 Cb 0.30 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.79 1gf9 h ASP 91 CO -0.33 1.01 -0.01 0.00 -1.57 0.00 0.00 179.24 178.34 1gf9 h ALA 92 N 1.10 1.16 -0.29 3.45 0.00 -1.64 -1.03 119.26 122.02 1gf9 h ALA 92 Ca 0.18 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1gf9 h ALA 92 Cb 0.47 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1gf9 h ALA 92 CO 0.02 0.54 -0.31 0.28 0.00 0.00 0.00 179.25 179.79 1gf9 h VAL 93 N 0.68 1.30 -0.71 0.00 2.07 -0.66 0.14 116.25 119.07 1gf9 h VAL 93 Ca 0.13 -1.48 0.03 0.00 0.82 0.00 0.00 66.70 66.20 1gf9 h VAL 93 Cb 0.44 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 1gf9 h VAL 93 CO 0.02 0.47 0.45 0.00 0.02 0.00 0.00 177.57 178.53 1gf9 h ALA 94 N 0.70 0.93 -0.40 1.67 0.00 -0.77 0.05 119.26 121.44 1gf9 h ALA 94 Ca 0.04 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1gf9 h ALA 94 Cb 0.88 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1gf9 h ALA 94 CO 0.08 0.23 -0.36 0.00 0.00 0.00 0.00 179.25 179.19 1gf9 h ALA 96 N 0.81 1.51 -0.38 0.00 0.00 -0.23 -0.19 119.26 120.78 1gf9 h ALA 96 Ca 0.07 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1gf9 h ALA 96 Cb 0.95 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1gf9 h ALA 96 CO 0.09 0.37 -0.14 0.87 0.00 0.00 0.00 179.25 180.44 1gf9 h LYS 97 N 0.53 0.76 -0.68 0.00 1.57 -0.79 -2.50 116.57 115.46 1gf9 h LYS 97 Ca 0.13 -0.31 0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1gf9 h LYS 97 Cb 0.16 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 1gf9 h LYS 97 CO -0.01 0.92 0.41 -0.09 -0.57 0.00 0.00 179.45 180.11 1gf9 h ARG 98 N 0.56 0.76 -0.30 3.15 9.65 -0.33 -2.37 114.38 125.50 1gf9 h ARG 98 Ca 0.09 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 58.94 1gf9 h ARG 98 Cb 0.67 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 29.05 1gf9 h ARG 98 CO 0.05 0.50 0.16 0.28 2.80 0.00 0.00 179.97 183.76 1gf9 h VAL 99 N 0.78 1.01 0.00 0.20 2.07 -0.87 -2.88 116.25 116.56 1gf9 h VAL 99 Ca 0.29 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1gf9 h VAL 99 Cb 0.08 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1gf9 h VAL 99 CO -0.14 0.06 0.00 1.33 0.02 0.00 0.00 177.57 178.85 1gf9 n VAL 100 N -4.94 0.58 0.30 2.57 0.24 -0.96 -2.63 118.33 113.49 1gf9 n VAL 100 Ca -0.01 0.13 0.15 0.00 -2.04 0.00 0.00 64.34 62.57 1gf9 n VAL 100 Cb 0.06 -0.79 0.51 0.00 -1.47 0.00 0.00 33.84 32.15 1gf9 n VAL 100 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gf9 h ARG 101 N 0.00 0.00 -7.40 7.34 3.08 -1.20 -3.35 114.38 112.85 1gf9 h ARG 101 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 1gf9 h ARG 101 Cb 0.38 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.54 1gf9 h ARG 101 CO 0.00 0.00 0.34 -0.51 -1.07 0.00 0.00 179.97 178.73 1gf9 s ASP 102 N -5.55 4.54 0.30 7.04 -0.00 -1.08 -4.94 116.67 116.98 1gf9 s ASP 102 Ca 0.04 1.33 0.00 0.00 -0.00 0.00 0.00 52.55 53.92 1gf9 s ASP 102 Cb 0.08 -2.07 0.70 0.00 -0.00 0.00 0.00 42.92 41.63 1gf9 s ASP 102 CO 0.56 -1.95 1.57 -0.65 -0.00 0.00 0.00 175.17 174.70 1gf9 h PRO 103 N -1.07 0.01 -0.03 8.23 0.11 -1.88 -1.85 132.00 135.52 1gf9 h PRO 103 Ca -0.47 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 1gf9 h PRO 103 Cb 1.26 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1gf9 h PRO 103 CO 0.59 0.00 -0.31 1.96 -0.21 0.00 0.00 178.00 180.03 1gf9 h GLN 104 N 0.01 0.05 0.00 1.05 4.20 -1.90 -3.49 115.11 115.03 1gf9 h GLN 104 Ca 0.58 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.27 1gf9 h GLN 104 Cb 1.15 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.92 1gf9 h GLN 104 CO -0.94 0.36 0.00 0.41 -0.67 0.00 0.00 178.83 177.98 1gf9 n GLY 105 N -0.60 1.70 0.34 3.46 0.00 -0.70 -2.40 105.19 106.99 1gf9 n GLY 105 Ca -0.02 -0.61 0.18 0.00 0.00 0.00 0.00 46.02 45.58 1gf9 n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gf9 h ILE 106 N 0.00 0.28 0.00 -0.61 6.09 -1.92 -2.05 117.51 119.30 1gf9 h ILE 106 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1gf9 h ILE 106 Cb 0.00 0.84 0.00 0.00 0.47 0.00 0.00 36.82 38.13 1gf9 h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1gf9 n ARG 107 N -3.48 0.05 -0.03 2.19 1.74 -1.01 -2.79 116.66 113.33 1gf9 n ARG 107 Ca -0.00 0.30 0.15 0.00 -0.77 0.00 0.00 57.85 57.54 1gf9 n ARG 107 Cb 0.28 -1.50 0.59 0.00 -1.02 0.00 0.00 32.46 30.81 1gf9 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gf9 h ALA 108 N 2.31 2.22 -2.56 7.54 0.00 -1.55 -3.37 119.26 123.84 1gf9 h ALA 108 Ca 0.00 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.23 1gf9 h ALA 108 Cb 0.11 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 17.70 1gf9 h ALA 108 CO 0.00 -0.36 -0.28 -1.58 0.00 0.00 0.00 179.25 177.03 1gf9 s TRP 109 N -5.22 3.20 0.42 0.00 0.51 -1.12 -4.95 118.94 111.79 1gf9 s TRP 109 Ca -0.06 -0.08 0.10 0.00 -2.12 0.00 0.00 56.10 53.93 1gf9 s TRP 109 Cb 0.20 -2.70 0.93 0.00 -0.81 0.00 0.00 33.47 31.08 1gf9 s TRP 109 CO 0.74 -0.47 2.01 0.28 -0.51 0.00 0.00 176.95 178.99 1gf9 h VAL 110 N 5.57 0.99 -0.34 4.03 2.07 -1.90 -0.13 116.25 126.54 1gf9 h VAL 110 Ca -0.29 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.06 1gf9 h VAL 110 Cb 1.14 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1gf9 h VAL 110 CO 0.71 0.09 0.22 0.00 0.02 0.00 0.00 177.57 178.61 1gf9 h ALA 111 N 1.70 1.80 -0.54 1.67 0.00 -1.93 0.75 119.26 122.71 1gf9 h ALA 111 Ca 0.23 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1gf9 h ALA 111 Cb 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1gf9 h ALA 111 CO -0.06 0.18 -0.10 2.35 0.00 0.00 0.00 179.25 181.62 1gf9 h TRP 112 N 0.43 1.14 -0.33 0.00 7.01 -1.33 0.13 115.95 123.00 1gf9 h TRP 112 Ca 0.13 -0.23 -0.04 0.00 2.11 0.00 0.00 58.89 60.85 1gf9 h TRP 112 Cb -0.00 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 26.76 1gf9 h TRP 112 CO -0.00 1.05 0.04 0.00 -2.79 0.00 0.00 178.44 176.74 1gf9 h ARG 113 N 0.90 0.55 -0.40 2.65 3.08 -1.11 0.17 114.38 120.22 1gf9 h ARG 113 Ca 0.14 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1gf9 h ARG 113 Cb 0.66 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1gf9 h ARG 113 CO 0.05 0.65 0.15 -0.91 -1.07 0.00 0.00 179.97 178.83 1gf9 h ASN 114 N 0.37 0.56 0.00 7.04 2.35 -0.71 -3.35 115.58 121.85 1gf9 h ASN 114 Ca 0.10 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1gf9 h ASN 114 Cb 0.38 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1gf9 h ASN 114 CO 0.01 0.59 0.00 0.54 -1.65 0.00 0.00 177.43 176.92 1gf9 n ARG 115 N -4.63 -0.35 0.00 0.81 1.74 0.45 -4.85 116.66 109.83 1gf9 n ARG 115 Ca -0.00 -0.66 0.00 0.00 -0.77 0.00 0.00 57.85 56.42 1gf9 n ARG 115 Cb 0.16 -1.00 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 1gf9 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gf9 s GLN 117 N -1.57 4.20 -1.58 0.00 0.74 0.38 -2.34 119.66 119.48 1gf9 s GLN 117 Ca 0.00 2.42 -0.15 0.00 0.05 0.00 0.00 55.36 57.68 1gf9 s GLN 117 Cb 0.00 -3.09 0.11 0.00 1.10 0.00 0.00 33.01 31.13 1gf9 s GLN 117 CO 0.00 -0.54 0.92 0.09 -0.55 0.00 0.00 175.29 175.21 1gf9 n ASN 118 N 2.67 -4.26 -4.42 6.67 5.03 -1.26 -4.95 115.26 114.73 1gf9 n ASN 118 Ca 0.09 -0.85 -0.22 0.00 0.87 0.00 0.00 54.58 54.47 1gf9 n ASN 118 Cb 0.39 -3.53 -0.10 0.00 -1.02 0.00 0.00 39.78 35.52 1gf9 n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1gf9 s ARG 119 N -6.71 1.53 -0.74 3.52 1.81 -0.99 -5.08 118.95 112.29 1gf9 s ARG 119 Ca 0.67 -1.71 -0.22 0.00 -1.72 0.00 0.00 55.73 52.75 1gf9 s ARG 119 Cb -0.35 -1.42 0.08 0.00 -0.45 0.00 0.00 34.95 32.82 1gf9 s ARG 119 CO 0.86 0.21 1.03 0.34 -0.68 0.00 0.00 175.30 177.06 1gf9 s ASP 120 N -3.43 6.29 -0.07 0.23 -1.08 -1.26 -4.87 116.67 112.48 1gf9 s ASP 120 Ca 0.27 -1.25 0.19 0.00 -0.52 0.00 0.00 52.55 51.24 1gf9 s ASP 120 Cb -0.01 -2.42 0.66 0.00 -1.46 0.00 0.00 42.92 39.68 1gf9 s ASP 120 CO 0.11 -1.36 1.56 1.33 0.52 0.00 0.00 175.17 177.33 1gf9 n VAL 121 N 5.87 1.42 -0.24 1.11 0.24 -1.26 -4.55 118.33 120.92 1gf9 n VAL 121 Ca 0.04 -1.04 0.03 0.00 -2.04 0.00 0.00 64.34 61.33 1gf9 n VAL 121 Cb 0.47 0.24 0.15 0.00 -1.47 0.00 0.00 33.84 33.23 1gf9 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gf9 h ARG 122 N 3.96 0.43 -1.05 7.34 3.08 -1.94 -1.55 114.38 124.66 1gf9 h ARG 122 Ca 0.00 -0.03 0.30 0.00 0.07 0.00 0.00 59.98 60.33 1gf9 h ARG 122 Cb 1.21 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 31.13 1gf9 h ARG 122 CO 0.14 0.28 0.91 -0.56 -1.07 0.00 0.00 179.97 179.67 1gf9 h GLN 123 N 0.44 0.00 -0.00 0.04 3.07 -1.97 -1.69 115.11 115.00 1gf9 h GLN 123 Ca 0.37 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 59.01 1gf9 h GLN 123 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.07 1gf9 h GLN 123 CO -0.36 0.00 -0.47 1.88 0.09 0.00 0.00 178.83 179.97 1gf9 h TYR 124 N 0.00 0.01 -0.04 0.06 0.05 -1.63 -3.28 116.97 112.14 1gf9 h TYR 124 Ca 0.50 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.27 1gf9 h TYR 124 Cb 2.30 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 40.04 1gf9 h TYR 124 CO 0.00 0.48 0.00 1.33 -1.05 0.00 0.00 178.16 178.92 1gf9 n VAL 125 N -3.98 0.21 -2.04 -2.88 0.24 -0.66 -4.77 118.33 104.44 1gf9 n VAL 125 Ca -0.02 -0.60 -0.42 0.00 -2.04 0.00 0.00 64.34 61.26 1gf9 n VAL 125 Cb 0.49 0.99 -0.03 0.00 -1.47 0.00 0.00 33.84 33.82 1gf9 n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1gf9 s GLN 126 N -0.58 4.26 0.00 7.34 -1.52 -1.05 -2.42 119.66 125.70 1gf9 s GLN 126 Ca 0.08 2.23 0.00 0.00 -1.95 0.00 0.00 55.36 55.72 1gf9 s GLN 126 Cb 0.05 -3.19 0.00 0.00 -0.22 0.00 0.00 33.01 29.64 1gf9 s GLN 126 CO 0.07 -0.52 0.00 0.41 -0.25 0.00 0.00 175.29 175.00 1gf9 n GLY 127 N 3.60 0.76 0.02 3.09 0.00 -1.26 -4.90 105.19 106.50 1gf9 n GLY 127 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1gf9 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gf9 n GLY 129 N 1.46 0.18 0.44 0.00 0.00 -1.26 -4.82 105.19 101.19 1gf9 n GLY 129 Ca 0.05 -0.68 0.05 0.00 0.00 0.00 0.00 46.02 45.45 1gf9 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65