#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gf3 s VAL 2 N 0.00 3.80 0.49 3.15 1.01 -1.26 -1.05 120.40 126.55 1gf3 s VAL 2 Ca 0.00 -0.99 -0.20 0.00 0.00 0.00 0.00 61.98 60.79 1gf3 s VAL 2 Cb 0.00 -3.08 -0.08 0.00 0.00 0.00 0.00 36.38 33.22 1gf3 s VAL 2 CO 0.00 -0.08 1.07 -0.36 0.00 0.00 0.00 175.10 175.73 1gf3 s PHE 3 N 1.43 2.92 0.30 5.22 0.08 -0.06 -5.00 117.98 122.87 1gf3 s PHE 3 Ca -0.00 1.57 -0.06 0.00 0.12 0.00 0.00 56.93 58.55 1gf3 s PHE 3 Cb -0.19 -3.15 -0.06 0.00 -0.57 0.00 0.00 43.02 39.06 1gf3 s PHE 3 CO 0.02 -1.05 0.59 -1.21 -0.10 0.00 0.00 175.22 173.48 1gf3 s GLU 4 N -3.16 3.68 0.01 0.44 2.02 -1.26 -4.85 118.70 115.58 1gf3 s GLU 4 Ca 0.68 0.12 -0.02 0.00 0.02 0.00 0.00 54.97 55.77 1gf3 s GLU 4 Cb -0.19 -2.60 -0.01 0.00 0.10 0.00 0.00 34.13 31.43 1gf3 s GLU 4 CO 0.23 0.18 1.03 -0.09 0.02 0.00 0.00 175.26 176.63 1gf3 h ARG 5 N 1.72 -0.01 -0.06 1.61 2.43 -1.97 -1.53 114.38 116.56 1gf3 h ARG 5 Ca -0.47 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.65 1gf3 h ARG 5 Cb 1.19 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1gf3 h ARG 5 CO 0.66 -0.01 -0.17 0.00 -1.51 0.00 0.00 179.97 178.94 1gf3 h GLU 7 N 0.09 0.50 -0.49 0.00 4.81 -1.90 -2.02 114.58 115.57 1gf3 h GLU 7 Ca 0.02 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 1gf3 h GLU 7 Cb 0.36 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1gf3 h GLU 7 CO 0.02 0.34 -0.14 1.25 -0.73 0.00 0.00 179.01 179.75 1gf3 h LEU 8 N 0.51 0.95 -0.34 1.64 5.85 -0.28 -2.09 115.31 121.55 1gf3 h LEU 8 Ca 0.14 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.58 1gf3 h LEU 8 Cb -0.05 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.69 1gf3 h LEU 8 CO -0.03 1.08 0.13 0.00 -0.34 0.00 0.00 178.44 179.28 1gf3 h ALA 9 N 1.00 0.40 -0.25 1.25 0.00 -0.79 0.10 119.26 120.97 1gf3 h ALA 9 Ca 0.13 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1gf3 h ALA 9 Cb 0.69 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1gf3 h ALA 9 CO 0.05 -0.26 -0.27 0.00 0.00 0.00 0.00 179.25 178.77 1gf3 h ARG 10 N 0.28 0.48 -0.45 0.00 3.08 -1.35 -0.72 114.38 115.70 1gf3 h ARG 10 Ca 0.15 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1gf3 h ARG 10 Cb 0.11 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1gf3 h ARG 10 CO -0.15 0.72 0.08 1.15 -1.07 0.00 0.00 179.97 180.70 1gf3 h THR 11 N 0.42 1.24 -0.48 2.04 2.02 -0.64 0.08 112.91 117.60 1gf3 h THR 11 Ca 0.06 -0.89 -0.11 0.00 0.77 0.00 0.00 66.41 66.24 1gf3 h THR 11 Cb 0.70 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1gf3 h THR 11 CO 0.05 0.31 -0.12 -0.07 0.37 0.00 0.00 175.52 176.07 1gf3 h LEU 12 N 0.61 0.94 -0.53 2.58 3.38 -0.65 -2.58 115.31 119.07 1gf3 h LEU 12 Ca 0.14 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1gf3 h LEU 12 Cb 0.37 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1gf3 h LEU 12 CO 0.01 1.08 0.22 0.50 0.09 0.00 0.00 178.44 180.34 1gf3 h LYS 13 N 0.78 0.78 0.00 1.13 3.64 -0.92 -1.85 116.57 120.13 1gf3 h LYS 13 Ca 0.12 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1gf3 h LYS 13 Cb 0.67 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1gf3 h LYS 13 CO 0.05 0.68 -0.01 -0.09 -2.27 0.00 0.00 179.45 177.81 1gf3 h ARG 14 N 0.71 0.00 -0.18 1.90 2.43 -0.89 -1.82 114.38 116.52 1gf3 h ARG 14 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1gf3 h ARG 14 Cb 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1gf3 h ARG 14 CO -0.02 0.01 0.00 1.28 -1.51 0.00 0.00 179.97 179.74 1gf3 n LEU 15 N -4.38 1.42 0.00 3.80 4.77 -0.75 -4.93 117.00 116.93 1gf3 n LEU 15 Ca -0.03 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 1gf3 n LEU 15 Cb 0.10 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1gf3 n LEU 15 CO 0.33 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1gf3 n GLY 16 N 1.03 0.39 0.14 -0.72 0.00 -0.68 -4.97 105.19 100.38 1gf3 n GLY 16 Ca 0.14 -0.97 0.12 0.00 0.00 0.00 0.00 46.02 45.30 1gf3 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1gf3 h MET 17 N 0.00 0.00 -6.14 1.61 2.86 -1.58 -3.40 114.93 108.28 1gf3 h MET 17 Ca 0.00 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.08 1gf3 h MET 17 Cb 0.53 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 1gf3 h MET 17 CO 0.00 0.00 1.34 0.34 1.06 0.00 0.00 176.91 179.65 1gf3 s ASP 18 N -5.40 5.63 0.00 1.22 2.15 -1.26 -1.94 116.67 117.06 1gf3 s ASP 18 Ca 0.03 1.18 0.00 0.00 0.43 0.00 0.00 52.55 54.19 1gf3 s ASP 18 Cb 0.09 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1gf3 s ASP 18 CO 0.74 -1.94 0.00 0.61 -0.17 0.00 0.00 175.17 174.41 1gf3 n GLY 19 N 5.55 0.51 3.67 2.66 0.00 0.08 -4.91 105.19 112.74 1gf3 n GLY 19 Ca 0.24 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1gf3 n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1gf3 s TYR 20 N -2.00 1.66 -1.48 1.61 5.04 -0.82 -1.08 117.35 120.29 1gf3 s TYR 20 Ca 0.00 -0.21 -0.12 0.00 -2.44 0.00 0.00 57.07 54.30 1gf3 s TYR 20 Cb 0.00 -4.16 0.08 0.00 0.35 0.00 0.00 41.96 38.23 1gf3 s TYR 20 CO 0.00 -5.04 0.79 0.54 -1.34 0.00 0.00 175.55 170.51 1gf3 n ARG 21 N 6.92 -4.74 -0.97 4.97 5.12 -1.26 -1.10 116.66 125.59 1gf3 n ARG 21 Ca 0.19 0.59 0.00 0.00 -1.93 0.00 0.00 57.85 56.70 1gf3 n ARG 21 Cb 0.41 -5.42 0.00 0.00 -1.16 0.00 0.00 32.46 26.29 1gf3 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gf3 n GLY 22 N -1.51 0.48 3.54 -0.13 0.00 -0.24 -5.00 105.19 102.32 1gf3 n GLY 22 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1gf3 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gf3 s ILE 23 N -2.13 5.13 0.71 -0.61 1.01 -0.26 -4.90 121.20 120.15 1gf3 s ILE 23 Ca 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 60.65 60.53 1gf3 s ILE 23 Cb 0.00 -3.88 0.03 0.00 0.01 0.00 0.00 42.46 38.62 1gf3 s ILE 23 CO 0.00 -0.17 1.17 -0.94 0.00 0.00 0.00 174.94 175.00 1gf3 s SER 24 N 1.75 4.47 0.35 3.58 1.04 -1.26 -0.74 113.70 122.89 1gf3 s SER 24 Ca 0.13 2.20 0.03 0.00 0.48 0.00 0.00 55.95 58.80 1gf3 s SER 24 Cb -0.16 -2.57 0.67 0.00 0.10 0.00 0.00 66.02 64.05 1gf3 s SER 24 CO 0.12 -2.07 1.99 0.25 0.98 0.00 0.00 173.24 174.51 1gf3 h LEU 25 N -0.27 0.72 -1.55 2.42 5.85 -1.91 -1.10 115.31 119.46 1gf3 h LEU 25 Ca -0.47 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 1gf3 h LEU 25 Cb 1.27 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 1gf3 h LEU 25 CO 0.51 0.50 0.18 0.00 -0.34 0.00 0.00 178.44 179.29 1gf3 h ALA 26 N 1.60 1.66 -0.26 1.25 0.00 -1.91 0.93 119.26 122.52 1gf3 h ALA 26 Ca 0.27 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 1gf3 h ALA 26 Cb 0.05 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1gf3 h ALA 26 CO -0.08 0.29 -0.33 -0.91 0.00 0.00 0.00 179.25 178.22 1gf3 h ASN 27 N 0.49 0.74 -0.37 0.00 2.35 -1.52 -1.59 115.58 115.68 1gf3 h ASN 27 Ca 0.13 -0.50 -0.06 0.00 -0.55 0.00 0.00 56.30 55.31 1gf3 h ASN 27 Cb 0.03 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1gf3 h ASN 27 CO -0.02 1.09 0.02 -0.50 -1.65 0.00 0.00 177.43 176.38 1gf3 h TRP 28 N 0.41 0.76 -0.27 1.19 4.06 -1.06 -0.45 115.95 120.59 1gf3 h TRP 28 Ca 0.03 -0.09 -0.03 0.00 2.06 0.00 0.00 58.89 60.86 1gf3 h TRP 28 Cb 0.92 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.85 1gf3 h TRP 28 CO 0.08 0.70 0.04 0.52 -3.56 0.00 0.00 178.44 176.22 1gf3 h MET 29 N 0.69 0.46 -0.87 0.49 2.86 -0.75 -0.72 114.93 117.09 1gf3 h MET 29 Ca 0.14 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1gf3 h MET 29 Cb 0.39 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.96 1gf3 h MET 29 CO 0.01 0.58 0.47 0.00 1.06 0.00 0.00 176.91 179.03 1gf3 h LEU 31 N 1.21 -0.42 -0.80 0.00 5.85 -0.82 -1.62 115.31 118.71 1gf3 h LEU 31 Ca 0.30 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 59.01 1gf3 h LEU 31 Cb 0.03 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1gf3 h LEU 31 CO -0.05 -0.24 0.52 0.00 -0.34 0.00 0.00 178.44 178.34 1gf3 h ALA 32 N 0.03 1.03 0.04 1.25 0.00 -0.89 0.13 119.26 120.84 1gf3 h ALA 32 Ca -0.05 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1gf3 h ALA 32 Cb 0.43 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1gf3 h ALA 32 CO 0.08 0.40 -0.13 -0.22 0.00 0.00 0.00 179.25 179.38 1gf3 h LYS 33 N 1.06 -0.23 0.00 0.00 1.63 -0.81 -1.53 116.57 116.69 1gf3 h LYS 33 Ca 0.30 0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 60.06 1gf3 h LYS 33 Cb -0.08 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 1gf3 h LYS 33 CO -0.08 -0.15 -0.29 -1.49 -3.45 0.00 0.00 179.45 173.99 1gf3 h TRP 34 N -0.24 0.00 0.09 1.91 4.06 -1.02 -1.19 115.95 119.57 1gf3 h TRP 34 Ca 0.03 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.81 1gf3 h TRP 34 Cb 0.27 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.45 1gf3 h TRP 34 CO -0.17 0.29 -0.73 0.93 -3.56 0.00 0.00 178.44 175.20 1gf3 h GLU 35 N 0.00 0.34 0.00 0.49 4.39 -0.62 -3.43 114.58 115.76 1gf3 h GLU 35 Ca -0.00 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1gf3 h GLU 35 Cb 1.18 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 1gf3 h GLU 35 CO 0.04 1.19 0.00 -1.13 -1.16 0.00 0.00 179.01 177.95 1gf3 n SER 36 N -4.16 0.08 -1.47 1.42 3.41 -0.61 -4.83 113.62 107.46 1gf3 n SER 36 Ca -0.12 -0.87 -0.11 0.00 -0.26 0.00 0.00 58.87 57.50 1gf3 n SER 36 Cb 0.76 0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.73 1gf3 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gf3 n GLY 37 N 0.01 -0.01 2.51 5.00 0.00 -0.45 -2.61 105.19 109.64 1gf3 n GLY 37 Ca 0.00 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 1gf3 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gf3 n TYR 38 N -3.96 -1.15 -3.67 1.61 0.53 -1.16 -4.75 117.16 104.62 1gf3 n TYR 38 Ca -0.09 0.17 -0.39 0.00 -1.02 0.00 0.00 57.90 56.56 1gf3 n TYR 38 Cb 0.58 -3.68 -0.12 0.00 -1.03 0.00 0.00 39.34 35.09 1gf3 n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1gf3 s ASN 39 N -2.41 5.48 0.51 7.72 2.47 -1.07 -0.89 114.94 126.75 1gf3 s ASN 39 Ca 0.10 -0.76 0.28 0.00 0.42 0.00 0.00 52.86 52.90 1gf3 s ASN 39 Cb -0.04 -1.97 1.31 0.00 -1.45 0.00 0.00 41.25 39.10 1gf3 s ASN 39 CO 0.12 -0.26 1.99 0.71 -3.72 0.00 0.00 177.10 175.93 1gf3 h THR 40 N 5.82 0.42 -0.70 -5.21 1.35 -1.41 -3.01 112.91 110.17 1gf3 h THR 40 Ca -0.29 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 1gf3 h THR 40 Cb 1.12 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 1gf3 h THR 40 CO 0.63 0.13 0.00 -2.11 -0.25 0.00 0.00 175.52 173.91 1gf3 n ARG 41 N -3.41 2.64 -1.98 4.72 1.85 -1.26 -4.00 116.66 115.21 1gf3 n ARG 41 Ca -0.01 -2.54 -0.41 0.00 -1.00 0.00 0.00 57.85 53.89 1gf3 n ARG 41 Cb 0.31 -1.55 -0.02 0.00 -1.05 0.00 0.00 32.46 30.15 1gf3 n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1gf3 s ALA 42 N -1.07 3.58 0.00 2.89 0.00 -1.14 -4.79 121.76 121.23 1gf3 s ALA 42 Ca 0.47 1.38 -0.03 0.00 0.00 0.00 0.00 51.96 53.79 1gf3 s ALA 42 Cb 0.25 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 1gf3 s ALA 42 CO 0.32 -0.80 0.04 0.95 0.00 0.00 0.00 175.76 176.27 1gf3 s THR 43 N -0.68 0.07 -0.09 0.00 -4.23 -1.26 -0.88 115.64 108.58 1gf3 s THR 43 Ca 0.54 -0.62 -0.03 0.00 -1.18 0.00 0.00 61.69 60.40 1gf3 s THR 43 Cb -0.43 -0.27 0.05 0.00 1.34 0.00 0.00 72.50 73.19 1gf3 s THR 43 CO 0.52 -0.34 0.10 0.21 -0.54 0.00 0.00 174.62 174.56 1gf3 s ASN 44 N -1.06 1.43 0.07 3.99 2.47 -0.54 -4.95 114.94 116.35 1gf3 s ASN 44 Ca -0.12 -0.09 -0.26 0.00 0.42 0.00 0.00 52.86 52.81 1gf3 s ASN 44 Cb -0.07 -0.07 -0.06 0.00 -1.45 0.00 0.00 41.25 39.61 1gf3 s ASN 44 CO -0.00 -0.28 0.81 -0.47 -3.72 0.00 0.00 177.10 173.43 1gf3 s TYR 45 N 2.19 3.77 -0.57 0.43 6.04 -1.26 -0.61 117.35 127.34 1gf3 s TYR 45 Ca 0.04 1.56 -0.07 0.00 0.04 0.00 0.00 57.07 58.64 1gf3 s TYR 45 Cb -0.13 -2.86 0.15 0.00 -1.04 0.00 0.00 41.96 38.07 1gf3 s TYR 45 CO -0.06 0.28 0.42 -0.80 -1.54 0.00 0.00 175.55 173.85 1gf3 s ASN 46 N -0.14 5.62 0.51 4.32 0.01 0.46 -4.95 114.94 120.76 1gf3 s ASN 46 Ca 0.40 -2.38 0.20 0.00 -0.71 0.00 0.00 52.86 50.37 1gf3 s ASN 46 Cb -0.21 -1.95 1.28 0.00 0.41 0.00 0.00 41.25 40.77 1gf3 s ASN 46 CO 0.25 -0.54 2.04 0.00 -1.51 0.00 0.00 177.10 177.34 1gf3 h ALA 47 N 7.78 2.26 -0.55 0.60 0.00 -1.96 -0.15 119.26 127.24 1gf3 h ALA 47 Ca -0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1gf3 h ALA 47 Cb 1.02 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1gf3 h ALA 47 CO 0.77 -0.36 0.34 0.78 0.00 0.00 0.00 179.25 180.78 1gf3 h GLY 48 N 0.09 0.79 -0.01 0.00 0.00 -1.95 -3.30 103.07 98.69 1gf3 h GLY 48 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1gf3 h GLY 48 CO -0.02 0.31 -0.00 2.09 0.00 0.00 0.00 176.54 178.92 1gf3 n ASP 49 N -4.67 1.80 -1.36 0.19 5.75 -1.10 -5.01 116.55 112.15 1gf3 n ASP 49 Ca 0.03 -1.98 -0.15 0.00 -0.01 0.00 0.00 54.79 52.68 1gf3 n ASP 49 Cb 0.05 -0.03 -0.04 0.00 -1.03 0.00 0.00 41.12 40.06 1gf3 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gf3 n ARG 50 N -0.51 -1.11 -3.43 0.11 1.74 -0.09 -4.78 116.66 108.60 1gf3 n ARG 50 Ca 0.01 0.93 -0.20 0.00 -0.77 0.00 0.00 57.85 57.82 1gf3 n ARG 50 Cb 0.31 -5.14 -0.02 0.00 -1.02 0.00 0.00 32.46 26.59 1gf3 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1gf3 s SER 51 N -2.65 5.19 0.00 0.55 1.04 -1.19 -4.46 113.70 112.18 1gf3 s SER 51 Ca 0.00 -0.68 0.01 0.00 0.48 0.00 0.00 55.95 55.76 1gf3 s SER 51 Cb 0.00 -0.56 -0.01 0.00 0.10 0.00 0.00 66.02 65.55 1gf3 s SER 51 CO 0.00 -0.70 -0.03 -0.89 0.98 0.00 0.00 173.24 172.61 1gf3 s THR 52 N -2.45 0.20 -0.11 2.02 2.01 -1.26 -0.41 115.64 115.64 1gf3 s THR 52 Ca 0.50 -0.28 -0.12 0.00 0.31 0.00 0.00 61.69 62.09 1gf3 s THR 52 Cb -0.05 -0.21 -0.05 0.00 0.01 0.00 0.00 72.50 72.21 1gf3 s THR 52 CO 0.29 -0.06 0.28 -1.81 -0.69 0.00 0.00 174.62 172.63 1gf3 s ASP 53 N -0.36 6.51 -0.02 3.53 1.01 0.22 -1.39 116.67 126.16 1gf3 s ASP 53 Ca -0.02 0.60 0.06 0.00 0.71 0.00 0.00 52.55 53.90 1gf3 s ASP 53 Cb -0.03 -2.17 -0.01 0.00 1.01 0.00 0.00 42.92 41.72 1gf3 s ASP 53 CO -0.00 0.23 -0.20 -0.31 0.21 0.00 0.00 175.17 175.10 1gf3 s TYR 54 N -0.27 1.82 0.00 4.23 2.02 0.15 -1.46 117.35 123.84 1gf3 s TYR 54 Ca 0.18 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.49 1gf3 s TYR 54 Cb -0.14 -1.18 0.00 0.00 -0.40 0.00 0.00 41.96 40.24 1gf3 s TYR 54 CO 0.06 -0.06 0.00 0.41 -1.57 0.00 0.00 175.55 174.39 1gf3 n GLY 55 N 2.69 -1.79 0.26 0.71 0.00 -0.06 -1.48 105.19 105.53 1gf3 n GLY 55 Ca -0.16 -1.34 0.10 0.00 0.00 0.00 0.00 46.02 44.62 1gf3 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gf3 h ILE 56 N 0.00 0.82 -0.21 -0.61 2.10 -1.68 -0.99 117.51 116.93 1gf3 h ILE 56 Ca 0.00 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.69 1gf3 h ILE 56 Cb 0.00 1.15 0.00 0.00 -1.09 0.00 0.00 36.82 36.88 1gf3 h ILE 56 CO 0.00 0.07 0.00 0.49 -1.08 0.00 0.00 178.15 177.63 1gf3 n PHE 57 N -4.12 0.26 -3.81 2.19 0.99 -1.26 -4.01 117.46 107.69 1gf3 n PHE 57 Ca -0.03 -0.19 -0.30 0.00 -0.00 0.00 0.00 57.45 56.93 1gf3 n PHE 57 Cb 0.15 -0.01 0.02 0.00 -1.00 0.00 0.00 39.48 38.65 1gf3 n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1gf3 n GLN 58 N 0.98 -2.00 -2.68 -1.08 1.13 -0.38 -4.90 117.38 108.45 1gf3 n GLN 58 Ca 0.13 0.41 -0.42 0.00 -1.94 0.00 0.00 57.00 55.18 1gf3 n GLN 58 Cb 0.46 -4.17 -0.03 0.00 0.11 0.00 0.00 30.24 26.61 1gf3 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gf3 s ILE 59 N -3.66 4.75 0.18 5.09 1.01 -0.55 -4.32 121.20 123.71 1gf3 s ILE 59 Ca 0.29 1.99 -0.30 0.00 0.00 0.00 0.00 60.65 62.63 1gf3 s ILE 59 Cb -0.11 -4.27 -0.08 0.00 0.01 0.00 0.00 42.46 38.01 1gf3 s ILE 59 CO 0.88 0.16 0.97 0.21 0.00 0.00 0.00 174.94 177.16 1gf3 s ASN 60 N 0.96 7.54 0.23 3.58 3.84 -1.26 -0.68 114.94 129.16 1gf3 s ASN 60 Ca 0.53 1.91 0.24 0.00 0.21 0.00 0.00 52.86 55.74 1gf3 s ASN 60 Cb -0.22 -2.60 0.94 0.00 -0.55 0.00 0.00 41.25 38.82 1gf3 s ASN 60 CO 0.28 0.02 1.71 -1.54 -2.79 0.00 0.00 177.10 174.79 1gf3 n SER 61 N 2.09 0.65 0.09 -4.21 3.41 -0.49 -2.45 113.62 112.71 1gf3 n SER 61 Ca 0.00 0.64 0.01 0.00 -0.26 0.00 0.00 58.87 59.26 1gf3 n SER 61 Cb 0.48 -0.78 0.34 0.00 -0.26 0.00 0.00 64.21 63.98 1gf3 n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1gf3 h ARG 62 N 0.00 0.29 0.00 4.33 2.43 -1.84 -3.39 114.38 116.20 1gf3 h ARG 62 Ca 0.00 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1gf3 h ARG 62 Cb 0.42 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1gf3 h ARG 62 CO 0.00 0.46 -0.65 0.66 -1.51 0.00 0.00 179.97 178.93 1gf3 n TYR 63 N -4.22 0.00 -0.11 2.20 4.02 -1.22 0.02 117.16 117.85 1gf3 n TYR 63 Ca -0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.75 1gf3 n TYR 63 Cb 0.31 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.49 1gf3 n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1gf3 n TRP 64 N -1.27 0.00 -4.10 -0.72 7.02 -1.03 -0.29 117.44 117.05 1gf3 n TRP 64 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 1gf3 n TRP 64 Cb 0.19 -0.98 -0.10 0.00 -2.42 0.00 0.00 31.31 28.00 1gf3 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1gf3 s ASN 66 N -2.80 5.73 0.00 0.00 2.47 -0.00 -4.60 114.94 115.74 1gf3 s ASN 66 Ca 0.06 0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.37 1gf3 s ASN 66 Cb 0.05 -2.01 0.00 0.00 -1.45 0.00 0.00 41.25 37.84 1gf3 s ASN 66 CO -0.08 0.08 0.69 -0.90 -3.72 0.00 0.00 177.10 173.18 1gf3 n ASP 67 N 4.14 1.36 0.00 -4.21 5.68 -1.26 -1.17 116.55 121.09 1gf3 n ASP 67 Ca -0.16 -1.40 0.00 0.00 -0.50 0.00 0.00 54.79 52.73 1gf3 n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1gf3 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gf3 n GLY 68 N -0.20 1.22 0.35 6.12 0.00 -1.26 -4.75 105.19 106.67 1gf3 n GLY 68 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1gf3 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1gf3 n LYS 69 N -1.87 2.38 -3.73 1.61 2.85 -1.26 -4.96 118.16 113.18 1gf3 n LYS 69 Ca 0.00 -2.28 -0.37 0.00 -1.05 0.00 0.00 58.31 54.61 1gf3 n LYS 69 Cb 0.00 -1.42 -0.12 0.00 -0.65 0.00 0.00 35.03 32.84 1gf3 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1gf3 s THR 70 N -2.07 4.28 0.13 0.58 2.01 -1.26 -4.93 115.64 114.38 1gf3 s THR 70 Ca 0.25 -0.38 -0.35 0.00 0.31 0.00 0.00 61.69 61.52 1gf3 s THR 70 Cb 0.20 -3.11 -0.15 0.00 0.01 0.00 0.00 72.50 69.45 1gf3 s THR 70 CO 0.06 0.20 1.52 -2.65 -0.69 0.00 0.00 174.62 173.05 1gf3 n PRO 71 N 4.92 1.84 -2.06 4.92 -0.02 -1.26 -2.65 135.00 140.70 1gf3 n PRO 71 Ca -0.15 0.67 -0.11 0.00 -2.02 0.00 0.00 63.50 61.89 1gf3 n PRO 71 Cb 0.50 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 1gf3 n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gf3 n GLY 72 N 3.18 0.02 3.84 -1.23 0.00 -1.26 -4.94 105.19 104.80 1gf3 n GLY 72 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1gf3 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gf3 s ALA 73 N -2.31 2.75 0.50 4.61 0.00 -1.08 -5.04 121.76 121.19 1gf3 s ALA 73 Ca 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 51.96 51.91 1gf3 s ALA 73 Cb 0.00 -3.12 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 1gf3 s ALA 73 CO 0.00 -1.15 0.05 0.14 0.00 0.00 0.00 175.76 174.81 1gf3 s VAL 74 N -3.14 1.31 -0.39 0.00 -7.23 0.10 -4.99 120.40 106.06 1gf3 s VAL 74 Ca 0.58 -1.93 0.08 0.00 -1.81 0.00 0.00 61.98 58.89 1gf3 s VAL 74 Cb -0.13 -2.24 0.25 0.00 0.56 0.00 0.00 36.38 34.82 1gf3 s VAL 74 CO 0.54 0.00 0.53 -3.20 -0.31 0.00 0.00 175.10 172.66 1gf3 n ASN 75 N -1.30 0.22 0.26 4.85 5.15 -1.21 -3.85 115.26 119.37 1gf3 n ASN 75 Ca -0.16 -2.71 0.09 0.00 -0.60 0.00 0.00 54.58 51.21 1gf3 n ASN 75 Cb 0.67 -0.64 0.65 0.00 -0.53 0.00 0.00 39.78 39.93 1gf3 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gf3 h ALA 76 N 3.97 1.80 -0.00 5.20 0.00 -0.66 -0.41 119.26 129.16 1gf3 h ALA 76 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1gf3 h ALA 76 Cb 0.88 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1gf3 h ALA 76 CO 0.46 0.07 -0.15 0.00 0.00 0.00 0.00 179.25 179.63 1gf3 n HIS 78 N -1.37 -1.91 -3.96 0.00 -0.00 -0.16 -4.97 115.22 102.85 1gf3 n HIS 78 Ca 0.09 0.71 -0.09 0.00 -0.00 0.00 0.00 57.72 58.42 1gf3 n HIS 78 Cb 0.32 -3.97 -0.10 0.00 -0.00 0.00 0.00 29.99 26.23 1gf3 n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1gf3 s LEU 79 N -6.55 2.05 0.38 2.41 1.43 -1.26 -5.07 118.68 112.07 1gf3 s LEU 79 Ca 0.18 -0.46 -0.24 0.00 -1.03 0.00 0.00 54.13 52.58 1gf3 s LEU 79 Cb -0.06 0.29 -0.10 0.00 0.03 0.00 0.00 46.19 46.36 1gf3 s LEU 79 CO 0.83 -0.36 1.00 -0.55 0.23 0.00 0.00 176.35 177.51 1gf3 s SER 80 N -1.59 6.95 0.60 2.29 0.15 -1.26 -0.82 113.70 120.01 1gf3 s SER 80 Ca -0.13 1.93 0.35 0.00 0.70 0.00 0.00 55.95 58.80 1gf3 s SER 80 Cb -0.08 -2.58 1.93 0.00 -1.71 0.00 0.00 66.02 63.59 1gf3 s SER 80 CO -0.01 -0.35 2.24 0.00 1.20 0.00 0.00 173.24 176.31 1gf3 h SER 82 N 0.00 0.64 -0.01 0.00 0.87 -1.91 -1.33 113.55 111.82 1gf3 h SER 82 Ca -0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1gf3 h SER 82 Cb 0.12 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1gf3 h SER 82 CO 0.00 0.39 0.01 0.00 -0.53 0.00 0.00 176.83 176.70 1gf3 h ALA 83 N 1.61 1.60 -0.13 6.23 0.00 -1.54 -0.66 119.26 126.36 1gf3 h ALA 83 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1gf3 h ALA 83 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1gf3 h ALA 83 CO -0.12 -0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.40 1gf3 n LEU 84 N -3.94 1.01 -0.35 0.00 4.77 -0.50 -3.62 117.00 114.37 1gf3 n LEU 84 Ca -0.03 -0.44 0.03 0.00 -0.03 0.00 0.00 56.01 55.54 1gf3 n LEU 84 Cb 0.09 -0.08 0.08 0.00 -2.33 0.00 0.00 43.42 41.18 1gf3 n LEU 84 CO 0.28 0.22 0.55 0.18 -1.33 0.00 0.00 177.39 177.30 1gf3 n LEU 85 N -0.07 2.44 -4.83 2.23 4.77 -0.26 -3.22 117.00 118.06 1gf3 n LEU 85 Ca 0.13 -1.92 -0.31 0.00 -0.03 0.00 0.00 56.01 53.88 1gf3 n LEU 85 Cb 0.21 -0.12 0.02 0.00 -2.33 0.00 0.00 43.42 41.20 1gf3 n LEU 85 CO 0.10 0.60 0.71 -1.10 -1.33 0.00 0.00 177.39 176.37 1gf3 s GLN 86 N -0.96 3.26 0.25 3.23 -0.21 -1.24 -4.45 119.66 119.54 1gf3 s GLN 86 Ca 0.13 0.97 0.04 0.00 0.02 0.00 0.00 55.36 56.51 1gf3 s GLN 86 Cb 0.07 -2.03 0.31 0.00 1.00 0.00 0.00 33.01 32.36 1gf3 s GLN 86 CO 0.09 -0.84 1.61 -0.44 -2.12 0.00 0.00 175.29 173.59 1gf3 h ASP 87 N -0.21 0.32 -3.18 5.90 5.19 -1.94 -3.40 116.42 119.10 1gf3 h ASP 87 Ca -0.45 -0.16 -0.57 0.00 -0.62 0.00 0.00 57.03 55.24 1gf3 h ASP 87 Cb 1.21 -0.09 -0.05 0.00 0.18 0.00 0.00 39.33 40.58 1gf3 h ASP 87 CO 0.58 0.78 0.66 0.21 -3.12 0.00 0.00 179.24 178.35 1gf3 s ASN 88 N -6.89 7.18 0.00 6.45 3.84 -1.26 -4.89 114.94 119.37 1gf3 s ASN 88 Ca -0.05 1.49 0.13 0.00 0.21 0.00 0.00 52.86 54.64 1gf3 s ASN 88 Cb 0.12 -2.55 0.39 0.00 -0.55 0.00 0.00 41.25 38.67 1gf3 s ASN 88 CO 0.79 -0.54 1.32 2.30 -2.79 0.00 0.00 177.10 178.18 1gf3 n ILE 89 N 4.85 0.48 -0.21 -5.21 -5.35 -1.26 -4.46 119.36 108.20 1gf3 n ILE 89 Ca 0.10 -0.50 0.01 0.00 -0.27 0.00 0.00 62.75 62.10 1gf3 n ILE 89 Cb 0.48 0.28 0.12 0.00 -1.74 0.00 0.00 39.64 38.77 1gf3 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gf3 h ALA 90 N 3.75 0.77 -0.40 -1.28 0.00 -1.94 -0.16 119.26 120.00 1gf3 h ALA 90 Ca 0.00 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1gf3 h ALA 90 Cb 0.51 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1gf3 h ALA 90 CO 0.00 -0.28 -0.31 -0.44 0.00 0.00 0.00 179.25 178.23 1gf3 h ASP 91 N 0.31 0.94 -0.34 0.00 3.45 -1.85 0.34 116.42 119.27 1gf3 h ASP 91 Ca 0.33 -0.39 -0.06 0.00 0.43 0.00 0.00 57.03 57.34 1gf3 h ASP 91 Cb 0.48 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.97 1gf3 h ASP 91 CO -0.39 1.16 0.03 0.28 -1.57 0.00 0.00 179.24 178.75 1gf3 h SER 92 N 0.75 0.63 -0.20 6.45 0.02 -1.65 -0.73 113.55 118.82 1gf3 h SER 92 Ca 0.08 -0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 60.84 1gf3 h SER 92 Cb 0.87 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.24 1gf3 h SER 92 CO 0.08 0.68 -0.14 0.58 -1.14 0.00 0.00 176.83 176.89 1gf3 h VAL 93 N 0.64 1.32 -0.83 2.27 2.07 -0.80 0.13 116.25 121.05 1gf3 h VAL 93 Ca 0.13 -1.25 0.04 0.00 0.82 0.00 0.00 66.70 66.45 1gf3 h VAL 93 Cb 0.35 1.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 1gf3 h VAL 93 CO 0.01 0.38 0.52 0.00 0.02 0.00 0.00 177.57 178.50 1gf3 h ALA 94 N 0.67 1.10 -0.22 1.67 0.00 -0.65 -0.45 119.26 121.39 1gf3 h ALA 94 Ca 0.04 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 1gf3 h ALA 94 Cb 0.65 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1gf3 h ALA 94 CO 0.04 0.33 -0.64 0.00 0.00 0.00 0.00 179.25 178.98 1gf3 h ALA 96 N 0.69 1.43 -0.43 0.00 0.00 -0.24 0.13 119.26 120.83 1gf3 h ALA 96 Ca -0.01 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1gf3 h ALA 96 Cb 1.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1gf3 h ALA 96 CO 0.13 0.41 -0.10 0.87 0.00 0.00 0.00 179.25 180.56 1gf3 h LYS 97 N 0.49 0.84 -0.64 0.00 1.57 -0.96 -2.43 116.57 115.45 1gf3 h LYS 97 Ca 0.11 -0.32 0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1gf3 h LYS 97 Cb 0.28 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 1gf3 h LYS 97 CO 0.00 0.95 0.40 -0.09 -0.57 0.00 0.00 179.45 180.14 1gf3 h ARG 98 N 0.67 0.77 -0.11 3.15 9.65 -0.56 -2.24 114.38 125.71 1gf3 h ARG 98 Ca 0.11 -0.05 0.03 0.00 -1.10 0.00 0.00 59.98 58.98 1gf3 h ARG 98 Cb 0.64 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 29.01 1gf3 h ARG 98 CO 0.04 0.51 -0.09 0.28 2.80 0.00 0.00 179.97 183.51 1gf3 h VAL 99 N 0.79 0.73 0.00 0.20 2.07 -0.81 -2.58 116.25 116.65 1gf3 h VAL 99 Ca 0.25 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.77 1gf3 h VAL 99 Cb -0.01 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1gf3 h VAL 99 CO -0.09 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.83 1gf3 n VAL 100 N -5.23 0.65 0.61 2.57 0.24 -0.93 -2.17 118.33 114.07 1gf3 n VAL 100 Ca -0.04 0.16 0.11 0.00 -2.04 0.00 0.00 64.34 62.54 1gf3 n VAL 100 Cb 0.16 -0.84 0.45 0.00 -1.47 0.00 0.00 33.84 32.14 1gf3 n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1gf3 n ARG 101 N -1.45 0.12 -1.91 7.34 1.74 -0.87 -4.10 116.66 117.52 1gf3 n ARG 101 Ca 0.05 0.24 -0.30 0.00 -0.77 0.00 0.00 57.85 57.07 1gf3 n ARG 101 Cb 0.20 -1.68 0.05 0.00 -1.02 0.00 0.00 32.46 30.02 1gf3 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1gf3 s ASP 102 N -3.71 5.37 0.26 0.55 -0.00 -0.92 -4.97 116.67 113.25 1gf3 s ASP 102 Ca 0.09 1.08 -0.05 0.00 -0.00 0.00 0.00 52.55 53.66 1gf3 s ASP 102 Cb 0.12 -1.86 0.50 0.00 -0.00 0.00 0.00 42.92 41.68 1gf3 s ASP 102 CO 0.44 -1.38 1.62 1.55 -0.00 0.00 0.00 175.17 177.40 1gf3 h PRO 103 N -0.67 0.08 0.00 8.23 0.13 -1.87 -2.23 132.00 135.68 1gf3 h PRO 103 Ca -0.45 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1gf3 h PRO 103 Cb 1.26 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1gf3 h PRO 103 CO 0.64 0.06 -0.07 1.96 -0.23 0.00 0.00 178.00 180.36 1gf3 h GLN 104 N 0.09 0.00 0.00 0.86 4.20 -1.90 -3.48 115.11 114.88 1gf3 h GLN 104 Ca 0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.16 1gf3 h GLN 104 Cb 0.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.60 1gf3 h GLN 104 CO -0.72 0.07 0.00 0.41 -0.67 0.00 0.00 178.83 177.91 1gf3 n GLY 105 N -0.92 2.34 0.31 3.46 0.00 -0.84 -2.20 105.19 107.34 1gf3 n GLY 105 Ca -0.02 -0.48 0.18 0.00 0.00 0.00 0.00 46.02 45.70 1gf3 n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gf3 h ILE 106 N 0.00 0.33 0.00 -0.61 6.09 -1.92 -1.70 117.51 119.70 1gf3 h ILE 106 Ca 0.00 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.48 1gf3 h ILE 106 Cb 0.00 1.01 0.00 0.00 0.47 0.00 0.00 36.82 38.30 1gf3 h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1gf3 n ARG 107 N -3.56 0.05 0.10 2.19 1.74 -0.93 -2.71 116.66 113.54 1gf3 n ARG 107 Ca -0.03 0.31 0.13 0.00 -0.77 0.00 0.00 57.85 57.49 1gf3 n ARG 107 Cb 0.08 -1.50 0.63 0.00 -1.02 0.00 0.00 32.46 30.65 1gf3 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gf3 h ALA 108 N 2.27 2.18 -2.53 7.54 0.00 -1.45 -3.39 119.26 123.88 1gf3 h ALA 108 Ca 0.00 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.26 1gf3 h ALA 108 Cb 0.09 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 17.72 1gf3 h ALA 108 CO 0.00 -0.25 -0.13 -1.58 0.00 0.00 0.00 179.25 177.29 1gf3 s TRP 109 N -5.11 3.20 0.38 0.00 0.51 -1.10 -4.96 118.94 111.86 1gf3 s TRP 109 Ca -0.06 0.20 0.05 0.00 -2.12 0.00 0.00 56.10 54.18 1gf3 s TRP 109 Cb 0.18 -2.80 0.74 0.00 -0.81 0.00 0.00 33.47 30.78 1gf3 s TRP 109 CO 0.71 -0.45 2.01 0.28 -0.51 0.00 0.00 176.95 178.99 1gf3 h VAL 110 N 5.55 1.14 -0.46 4.03 2.07 -1.90 -0.46 116.25 126.21 1gf3 h VAL 110 Ca -0.29 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 66.92 1gf3 h VAL 110 Cb 1.14 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1gf3 h VAL 110 CO 0.73 0.15 0.31 0.00 0.02 0.00 0.00 177.57 178.78 1gf3 h ALA 111 N 1.65 1.74 -0.47 1.67 0.00 -1.94 -0.42 119.26 121.48 1gf3 h ALA 111 Ca 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1gf3 h ALA 111 Cb -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1gf3 h ALA 111 CO -0.03 0.22 0.18 2.35 0.00 0.00 0.00 179.25 181.97 1gf3 h TRP 112 N 0.57 0.73 -0.69 0.00 7.01 -1.40 -0.06 115.95 122.11 1gf3 h TRP 112 Ca 0.18 -0.06 -0.03 0.00 2.11 0.00 0.00 58.89 61.10 1gf3 h TRP 112 Cb 0.03 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 26.84 1gf3 h TRP 112 CO -0.00 0.62 0.33 0.00 -2.79 0.00 0.00 178.44 176.60 1gf3 h ARG 113 N 0.63 0.99 -0.28 2.65 3.08 -1.14 0.19 114.38 120.50 1gf3 h ARG 113 Ca 0.16 -0.15 -0.19 0.00 0.07 0.00 0.00 59.98 59.87 1gf3 h ARG 113 Cb 0.21 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1gf3 h ARG 113 CO -0.01 0.78 -0.57 -0.91 -1.07 0.00 0.00 179.97 178.19 1gf3 h ASN 114 N 0.96 0.98 -0.00 7.04 2.35 -0.83 -3.36 115.58 122.72 1gf3 h ASN 114 Ca 0.24 -0.54 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1gf3 h ASN 114 Cb 0.12 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.21 1gf3 h ASN 114 CO -0.03 1.34 -0.15 0.54 -1.65 0.00 0.00 177.43 177.48 1gf3 n ARG 115 N -4.01 3.99 0.00 0.81 5.12 -0.06 -4.86 116.66 117.66 1gf3 n ARG 115 Ca -0.05 -0.21 0.00 0.00 -1.93 0.00 0.00 57.85 55.66 1gf3 n ARG 115 Cb 0.64 -0.81 0.00 0.00 -1.16 0.00 0.00 32.46 31.13 1gf3 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1gf3 n GLN 117 N -2.25 2.45 -2.65 0.00 7.27 0.13 -2.28 117.38 120.05 1gf3 n GLN 117 Ca 0.00 0.88 -0.18 0.00 0.07 0.00 0.00 57.00 57.77 1gf3 n GLN 117 Cb 0.44 -2.68 0.00 0.00 2.41 0.00 0.00 30.24 30.41 1gf3 n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1gf3 n ASN 118 N 3.46 -4.79 -4.58 1.69 5.03 -1.26 -4.97 115.26 109.84 1gf3 n ASN 118 Ca 0.15 -0.02 -0.25 0.00 0.87 0.00 0.00 54.58 55.33 1gf3 n ASN 118 Cb 0.32 -3.99 -0.10 0.00 -1.02 0.00 0.00 39.78 34.99 1gf3 n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1gf3 s ARG 119 N -5.28 1.93 -0.76 3.52 1.81 -0.96 -5.07 118.95 114.13 1gf3 s ARG 119 Ca 0.10 -1.83 -0.24 0.00 -1.72 0.00 0.00 55.73 52.05 1gf3 s ARG 119 Cb -0.05 -1.82 0.06 0.00 -0.45 0.00 0.00 34.95 32.69 1gf3 s ARG 119 CO 0.13 0.17 1.16 0.34 -0.68 0.00 0.00 175.30 176.42 1gf3 s ASP 120 N -3.64 6.25 -0.01 0.23 -1.08 -1.26 -4.85 116.67 112.31 1gf3 s ASP 120 Ca 0.33 -0.94 0.22 0.00 -0.52 0.00 0.00 52.55 51.63 1gf3 s ASP 120 Cb 0.00 -2.49 0.64 0.00 -1.46 0.00 0.00 42.92 39.61 1gf3 s ASP 120 CO 0.18 -1.57 1.53 1.33 0.52 0.00 0.00 175.17 177.16 1gf3 n VAL 121 N 6.18 1.07 -0.20 1.11 0.24 -1.26 -4.51 118.33 120.96 1gf3 n VAL 121 Ca 0.06 -1.02 0.06 0.00 -2.04 0.00 0.00 64.34 61.40 1gf3 n VAL 121 Cb 0.48 0.47 0.33 0.00 -1.47 0.00 0.00 33.84 33.65 1gf3 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gf3 h ARG 122 N 4.17 0.78 -0.09 7.34 3.08 -1.92 -2.20 114.38 125.54 1gf3 h ARG 122 Ca 0.00 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.03 1gf3 h ARG 122 Cb 1.02 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 1gf3 h ARG 122 CO 0.02 0.52 0.28 -0.56 -1.07 0.00 0.00 179.97 179.15 1gf3 h GLN 123 N 0.81 0.00 0.00 0.04 3.07 -1.98 -1.94 115.11 115.11 1gf3 h GLN 123 Ca 0.32 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.95 1gf3 h GLN 123 Cb 0.23 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.78 1gf3 h GLN 123 CO -0.11 0.00 -0.51 1.88 0.09 0.00 0.00 178.83 180.18 1gf3 h TYR 124 N 0.00 0.00 -0.01 0.06 0.05 -1.73 -3.30 116.97 112.03 1gf3 h TYR 124 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1gf3 h TYR 124 Cb 0.59 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.33 1gf3 h TYR 124 CO 0.00 0.51 -0.24 1.33 -1.05 0.00 0.00 178.16 178.71 1gf3 n VAL 125 N -3.64 0.00 -1.71 -2.88 0.24 -0.74 -4.80 118.33 104.80 1gf3 n VAL 125 Ca -0.01 -0.38 -0.42 0.00 -2.04 0.00 0.00 64.34 61.49 1gf3 n VAL 125 Cb 0.58 1.14 -0.03 0.00 -1.47 0.00 0.00 33.84 34.06 1gf3 n VAL 125 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1gf3 n GLN 126 N -0.20 2.79 -0.69 7.34 1.13 -1.12 -1.81 117.38 124.82 1gf3 n GLN 126 Ca 0.05 1.01 0.00 0.00 -1.94 0.00 0.00 57.00 56.12 1gf3 n GLN 126 Cb 0.25 -2.88 0.00 0.00 0.11 0.00 0.00 30.24 27.72 1gf3 n GLN 126 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1gf3 n GLY 127 N 4.08 1.12 0.13 1.08 0.00 -1.26 -4.92 105.19 105.42 1gf3 n GLY 127 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1gf3 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gf3 n GLY 129 N 1.35 0.06 0.25 0.00 0.00 -1.26 -4.78 105.19 100.80 1gf3 n GLY 129 Ca 0.12 -0.42 0.03 0.00 0.00 0.00 0.00 46.02 45.75 1gf3 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65