#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gdw s VAL 2 N 0.00 4.12 0.56 3.15 1.01 -1.26 -0.89 120.40 127.10 1gdw s VAL 2 Ca 0.00 -1.07 -0.18 0.00 0.00 0.00 0.00 61.98 60.73 1gdw s VAL 2 Cb 0.00 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 1gdw s VAL 2 CO 0.00 -0.24 1.09 -0.36 0.00 0.00 0.00 175.10 175.58 1gdw s PHE 3 N 1.46 2.82 0.33 5.22 0.08 -0.17 -4.99 117.98 122.72 1gdw s PHE 3 Ca 0.00 1.55 -0.08 0.00 0.12 0.00 0.00 56.93 58.52 1gdw s PHE 3 Cb -0.20 -3.14 -0.06 0.00 -0.57 0.00 0.00 43.02 39.05 1gdw s PHE 3 CO 0.04 -1.31 0.65 -1.21 -0.10 0.00 0.00 175.22 173.29 1gdw s GLU 4 N -3.63 3.73 0.06 0.44 0.41 -1.26 -4.85 118.70 113.61 1gdw s GLU 4 Ca 0.68 0.25 -0.18 0.00 -0.41 0.00 0.00 54.97 55.32 1gdw s GLU 4 Cb -0.19 -2.54 -0.06 0.00 -1.78 0.00 0.00 34.13 29.56 1gdw s GLU 4 CO 0.31 0.13 1.29 -0.09 -0.49 0.00 0.00 175.26 176.40 1gdw h ARG 5 N 1.66 -0.26 -0.06 1.61 2.43 -1.96 -1.76 114.38 116.03 1gdw h ARG 5 Ca -0.47 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 58.66 1gdw h ARG 5 Cb 1.19 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1gdw h ARG 5 CO 0.66 -0.18 -0.22 0.00 -1.51 0.00 0.00 179.97 178.72 1gdw h GLU 7 N 0.09 0.86 -0.34 0.00 4.81 -1.89 -2.07 114.58 116.04 1gdw h GLU 7 Ca 0.02 -0.11 -0.11 0.00 -0.13 0.00 0.00 59.36 59.03 1gdw h GLU 7 Cb 0.45 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1gdw h GLU 7 CO 0.03 0.67 -0.21 1.25 -0.73 0.00 0.00 179.01 180.02 1gdw h LEU 8 N 0.83 0.78 -0.61 1.64 5.85 -0.82 -1.98 115.31 120.99 1gdw h LEU 8 Ca 0.21 -0.42 0.09 0.00 0.84 0.00 0.00 57.88 58.60 1gdw h LEU 8 Cb 0.07 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.81 1gdw h LEU 8 CO -0.03 1.03 0.24 0.00 -0.34 0.00 0.00 178.44 179.35 1gdw h ALA 9 N 0.77 0.79 -0.10 1.25 0.00 -0.95 0.89 119.26 121.91 1gdw h ALA 9 Ca 0.07 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1gdw h ALA 9 Cb 0.76 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1gdw h ALA 9 CO 0.06 -0.17 -0.60 0.00 0.00 0.00 0.00 179.25 178.54 1gdw h ARG 10 N 0.44 0.35 -0.33 0.00 3.08 -1.37 -1.67 114.38 114.88 1gdw h ARG 10 Ca 0.30 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1gdw h ARG 10 Cb 0.36 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1gdw h ARG 10 CO -0.29 0.85 0.14 1.15 -1.07 0.00 0.00 179.97 180.75 1gdw h THR 11 N 0.26 1.17 -0.34 2.04 2.02 -0.53 -0.42 112.91 117.12 1gdw h THR 11 Ca -0.01 -0.52 -0.09 0.00 0.77 0.00 0.00 66.41 66.56 1gdw h THR 11 Cb 1.13 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 1gdw h THR 11 CO 0.10 0.18 -0.18 -0.07 0.37 0.00 0.00 175.52 175.92 1gdw h LEU 12 N 0.38 0.62 -0.29 2.58 3.38 -0.80 -2.46 115.31 118.73 1gdw h LEU 12 Ca 0.11 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1gdw h LEU 12 Cb 0.16 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1gdw h LEU 12 CO -0.01 0.81 0.07 0.50 0.09 0.00 0.00 178.44 179.90 1gdw h LYS 13 N 0.56 0.46 0.00 1.13 3.64 -0.89 -1.78 116.57 119.69 1gdw h LYS 13 Ca 0.09 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1gdw h LYS 13 Cb 0.63 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1gdw h LYS 13 CO 0.04 0.54 -0.08 0.00 -2.27 0.00 0.00 179.45 177.68 1gdw h ARG 14 N 0.30 0.00 -0.04 1.90 3.08 -0.94 -1.36 114.38 117.33 1gdw h ARG 14 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1gdw h ARG 14 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1gdw h ARG 14 CO 0.00 0.08 0.00 1.28 -1.07 0.00 0.00 179.97 180.26 1gdw n LEU 15 N -3.98 0.75 0.00 3.04 4.77 -0.92 -4.92 117.00 115.74 1gdw n LEU 15 Ca -0.02 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 1gdw n LEU 15 Cb 0.17 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1gdw n LEU 15 CO 0.31 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1gdw n GLY 16 N 1.03 0.55 0.13 -0.72 0.00 -0.51 -4.99 105.19 100.68 1gdw n GLY 16 Ca 0.19 -0.84 0.12 0.00 0.00 0.00 0.00 46.02 45.49 1gdw n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1gdw h MET 17 N 0.00 0.00 -6.12 1.61 2.86 -1.50 -3.40 114.93 108.38 1gdw h MET 17 Ca 0.00 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.10 1gdw h MET 17 Cb 0.40 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 1gdw h MET 17 CO 0.00 0.00 1.32 0.34 1.06 0.00 0.00 176.91 179.63 1gdw s ASP 18 N -5.21 5.57 0.00 1.22 2.15 -1.26 -1.97 116.67 117.17 1gdw s ASP 18 Ca 0.05 0.82 0.00 0.00 0.43 0.00 0.00 52.55 53.85 1gdw s ASP 18 Cb 0.10 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1gdw s ASP 18 CO 0.70 -2.05 0.00 0.61 -0.17 0.00 0.00 175.17 174.26 1gdw n GLY 19 N 5.55 0.63 3.68 2.66 0.00 -0.22 -4.93 105.19 112.56 1gdw n GLY 19 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1gdw n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1gdw s TYR 20 N -2.12 2.06 -1.66 1.61 5.04 -0.83 -1.29 117.35 120.16 1gdw s TYR 20 Ca 0.00 0.10 0.00 0.00 -2.44 0.00 0.00 57.07 54.73 1gdw s TYR 20 Cb 0.00 -4.03 0.00 0.00 0.35 0.00 0.00 41.96 38.28 1gdw s TYR 20 CO 0.00 -4.31 0.00 0.41 -1.34 0.00 0.00 175.55 170.31 1gdw n GLY 21 N 4.16 0.02 2.27 8.97 0.00 -1.26 -1.45 105.19 117.90 1gdw n GLY 21 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1gdw n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gdw n GLY 22 N -0.96 0.42 3.58 -0.02 0.00 -0.41 -5.00 105.19 102.80 1gdw n GLY 22 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 1gdw n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gdw s ILE 23 N -1.88 5.23 0.81 -0.61 1.01 -0.53 -4.92 121.20 120.32 1gdw s ILE 23 Ca 0.00 0.28 -0.11 0.00 0.00 0.00 0.00 60.65 60.83 1gdw s ILE 23 Cb 0.00 -3.66 0.08 0.00 0.01 0.00 0.00 42.46 38.89 1gdw s ILE 23 CO 0.00 0.13 1.12 -0.94 0.00 0.00 0.00 174.94 175.25 1gdw s SER 24 N 1.71 3.97 0.23 3.58 1.04 -1.26 -1.06 113.70 121.90 1gdw s SER 24 Ca 0.11 1.98 -0.07 0.00 0.48 0.00 0.00 55.95 58.45 1gdw s SER 24 Cb -0.16 -2.54 0.22 0.00 0.10 0.00 0.00 66.02 63.63 1gdw s SER 24 CO 0.11 -2.40 1.87 0.25 0.98 0.00 0.00 173.24 174.05 1gdw h LEU 25 N -1.30 1.11 -1.21 2.42 5.85 -1.92 -1.94 115.31 118.33 1gdw h LEU 25 Ca -0.44 -0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.28 1gdw h LEU 25 Cb 1.25 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.94 1gdw h LEU 25 CO 0.48 0.86 0.56 0.00 -0.34 0.00 0.00 178.44 180.00 1gdw h ALA 26 N 1.29 1.59 -0.47 1.25 0.00 -1.91 -0.25 119.26 120.75 1gdw h ALA 26 Ca 0.33 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 1gdw h ALA 26 Cb -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1gdw h ALA 26 CO -0.06 0.26 0.07 -0.91 0.00 0.00 0.00 179.25 178.62 1gdw h ASN 27 N 0.93 0.76 -0.38 0.00 2.35 -1.68 -0.53 115.58 117.03 1gdw h ASN 27 Ca 0.38 -0.26 -0.07 0.00 -0.55 0.00 0.00 56.30 55.80 1gdw h ASN 27 Cb 0.28 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1gdw h ASN 27 CO -0.15 0.83 0.01 -0.50 -1.65 0.00 0.00 177.43 175.97 1gdw h TRP 28 N 0.66 0.79 -0.39 1.19 4.06 -1.06 -0.92 115.95 120.28 1gdw h TRP 28 Ca 0.14 -0.10 -0.06 0.00 2.06 0.00 0.00 58.89 60.93 1gdw h TRP 28 Cb 0.40 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.32 1gdw h TRP 28 CO 0.03 0.73 0.00 0.52 -3.56 0.00 0.00 178.44 176.16 1gdw h MET 29 N 0.70 0.68 -0.53 0.49 2.86 -0.84 -1.41 114.93 116.88 1gdw h MET 29 Ca 0.14 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1gdw h MET 29 Cb 0.41 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 1gdw h MET 29 CO 0.02 0.78 0.16 0.00 1.06 0.00 0.00 176.91 178.92 1gdw h LEU 31 N 0.77 -0.28 -0.93 0.00 5.85 -0.93 -2.20 115.31 117.59 1gdw h LEU 31 Ca 0.18 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1gdw h LEU 31 Cb 0.24 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 1gdw h LEU 31 CO -0.01 -0.01 0.61 0.00 -0.34 0.00 0.00 178.44 178.70 1gdw h ALA 32 N 0.13 1.19 0.30 1.25 0.00 -1.05 0.80 119.26 121.88 1gdw h ALA 32 Ca -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1gdw h ALA 32 Cb 0.41 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1gdw h ALA 32 CO 0.06 0.56 -0.15 -0.22 0.00 0.00 0.00 179.25 179.49 1gdw h LYS 33 N 1.25 -0.40 0.00 0.00 1.63 -0.96 -0.96 116.57 117.13 1gdw h LYS 33 Ca 0.34 0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 60.08 1gdw h LYS 33 Cb -0.13 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 1gdw h LYS 33 CO -0.08 -0.27 -0.46 -1.49 -3.45 0.00 0.00 179.45 173.70 1gdw h TRP 34 N -0.42 0.00 0.03 1.91 4.06 -1.28 -0.72 115.95 119.53 1gdw h TRP 34 Ca -0.04 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.80 1gdw h TRP 34 Cb 0.32 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.49 1gdw h TRP 34 CO -0.06 0.46 -0.46 0.93 -3.56 0.00 0.00 178.44 175.75 1gdw h GLU 35 N 0.00 0.25 0.00 0.49 4.39 -0.73 -3.43 114.58 115.55 1gdw h GLU 35 Ca -0.00 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.38 1gdw h GLU 35 Cb 1.13 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1gdw h GLU 35 CO 0.06 1.06 0.00 -1.13 -1.16 0.00 0.00 179.01 177.84 1gdw n SER 36 N -4.34 0.18 -0.96 1.42 3.41 -0.39 -4.83 113.62 108.10 1gdw n SER 36 Ca -0.11 -0.70 -0.09 0.00 -0.26 0.00 0.00 58.87 57.71 1gdw n SER 36 Cb 0.62 0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 64.65 1gdw n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gdw n GLY 37 N 0.10 0.33 2.23 5.00 0.00 -0.28 -2.74 105.19 109.82 1gdw n GLY 37 Ca 0.00 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 1gdw n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gdw n TYR 38 N -3.61 -0.30 -3.67 1.61 0.53 -1.18 -4.76 117.16 105.78 1gdw n TYR 38 Ca -0.11 0.00 -0.38 0.00 -1.02 0.00 0.00 57.90 56.40 1gdw n TYR 38 Cb 0.50 -2.26 -0.12 0.00 -1.03 0.00 0.00 39.34 36.43 1gdw n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1gdw s ASN 39 N -2.67 5.49 0.56 7.72 2.47 -1.11 -1.00 114.94 126.40 1gdw s ASN 39 Ca 0.00 -0.38 0.34 0.00 0.42 0.00 0.00 52.86 53.25 1gdw s ASN 39 Cb 0.00 -1.99 1.49 0.00 -1.45 0.00 0.00 41.25 39.29 1gdw s ASN 39 CO 0.00 -0.13 2.03 0.71 -3.72 0.00 0.00 177.10 175.99 1gdw h THR 40 N 5.59 0.05 -0.53 -5.21 1.35 -1.34 -3.01 112.91 109.82 1gdw h THR 40 Ca -0.34 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1gdw h THR 40 Cb 1.16 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1gdw h THR 40 CO 0.60 0.02 0.00 -2.11 -0.25 0.00 0.00 175.52 173.77 1gdw n ARG 41 N -3.13 3.97 -2.16 4.72 1.85 -1.26 -4.06 116.66 116.59 1gdw n ARG 41 Ca 0.00 -2.94 -0.41 0.00 -1.00 0.00 0.00 57.85 53.50 1gdw n ARG 41 Cb 0.28 -1.99 -0.02 0.00 -1.05 0.00 0.00 32.46 29.68 1gdw n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1gdw s ALA 42 N -2.32 3.50 0.01 2.89 0.00 -1.14 -4.82 121.76 119.86 1gdw s ALA 42 Ca 0.49 1.21 -0.07 0.00 0.00 0.00 0.00 51.96 53.59 1gdw s ALA 42 Cb 0.35 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 20.01 1gdw s ALA 42 CO 0.18 -0.58 0.13 0.95 0.00 0.00 0.00 175.76 176.44 1gdw s THR 43 N -0.95 0.09 -0.13 0.00 -4.23 -1.26 -0.90 115.64 108.26 1gdw s THR 43 Ca 0.50 -0.73 -0.04 0.00 -1.18 0.00 0.00 61.69 60.23 1gdw s THR 43 Cb -0.39 -0.47 0.06 0.00 1.34 0.00 0.00 72.50 73.05 1gdw s THR 43 CO 0.49 -0.40 0.22 0.21 -0.54 0.00 0.00 174.62 174.60 1gdw s ASN 44 N -1.46 0.68 -0.01 3.99 2.47 -0.74 -4.96 114.94 114.90 1gdw s ASN 44 Ca -0.14 0.35 -0.19 0.00 0.42 0.00 0.00 52.86 53.30 1gdw s ASN 44 Cb -0.07 0.50 -0.05 0.00 -1.45 0.00 0.00 41.25 40.18 1gdw s ASN 44 CO 0.01 -0.26 0.56 -0.47 -3.72 0.00 0.00 177.10 173.22 1gdw s TYR 45 N 2.36 3.68 -0.47 0.43 6.14 -1.26 -0.52 117.35 127.70 1gdw s TYR 45 Ca 0.03 1.14 -0.09 0.00 0.64 0.00 0.00 57.07 58.79 1gdw s TYR 45 Cb -0.13 -2.56 0.12 0.00 0.42 0.00 0.00 41.96 39.82 1gdw s TYR 45 CO -0.08 0.38 0.35 -0.80 0.64 0.00 0.00 175.55 176.04 1gdw s ASN 46 N -0.26 5.71 0.40 4.32 0.01 0.40 -4.95 114.94 120.57 1gdw s ASN 46 Ca 0.29 -1.91 0.07 0.00 -0.71 0.00 0.00 52.86 50.60 1gdw s ASN 46 Cb -0.18 -2.01 0.83 0.00 0.41 0.00 0.00 41.25 40.30 1gdw s ASN 46 CO 0.16 -0.70 2.05 0.00 -1.51 0.00 0.00 177.10 177.10 1gdw h ALA 47 N 8.46 1.68 -0.39 0.60 0.00 -1.96 0.70 119.26 128.34 1gdw h ALA 47 Ca -0.21 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1gdw h ALA 47 Cb 1.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1gdw h ALA 47 CO 0.86 0.29 0.24 0.78 0.00 0.00 0.00 179.25 181.42 1gdw h GLY 48 N 0.59 0.55 -0.32 0.00 0.00 -1.95 -3.27 103.07 98.66 1gdw h GLY 48 Ca 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1gdw h GLY 48 CO -0.03 0.16 0.00 2.09 0.00 0.00 0.00 176.54 178.76 1gdw n ASP 49 N -4.85 2.19 -2.14 0.19 5.75 -1.15 -5.00 116.55 111.54 1gdw n ASP 49 Ca 0.01 -1.96 -0.20 0.00 -0.01 0.00 0.00 54.79 52.63 1gdw n ASP 49 Cb 0.05 -0.06 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 1gdw n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gdw n ARG 50 N -0.22 -1.56 -3.49 0.11 1.74 0.23 -4.80 116.66 108.67 1gdw n ARG 50 Ca 0.03 1.02 -0.20 0.00 -0.77 0.00 0.00 57.85 57.93 1gdw n ARG 50 Cb 0.28 -5.59 -0.02 0.00 -1.02 0.00 0.00 32.46 26.11 1gdw n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1gdw s SER 51 N -2.24 5.16 0.00 0.55 1.04 -1.15 -4.45 113.70 112.61 1gdw s SER 51 Ca 0.00 -0.68 0.01 0.00 0.48 0.00 0.00 55.95 55.77 1gdw s SER 51 Cb 0.00 -0.61 -0.01 0.00 0.10 0.00 0.00 66.02 65.51 1gdw s SER 51 CO 0.00 -0.65 -0.05 -0.89 0.98 0.00 0.00 173.24 172.63 1gdw s THR 52 N -2.44 0.37 -0.17 2.02 2.01 -1.26 -0.45 115.64 115.71 1gdw s THR 52 Ca 0.49 -0.31 -0.12 0.00 0.31 0.00 0.00 61.69 62.06 1gdw s THR 52 Cb -0.04 -0.33 -0.05 0.00 0.01 0.00 0.00 72.50 72.08 1gdw s THR 52 CO 0.29 0.03 0.23 -1.81 -0.69 0.00 0.00 174.62 172.67 1gdw s ASP 53 N -0.30 6.36 -0.08 3.53 1.01 0.32 -1.03 116.67 126.48 1gdw s ASP 53 Ca 0.00 0.42 0.05 0.00 0.71 0.00 0.00 52.55 53.73 1gdw s ASP 53 Cb -0.03 -2.15 -0.01 0.00 1.01 0.00 0.00 42.92 41.75 1gdw s ASP 53 CO -0.00 0.15 -0.24 -0.31 0.21 0.00 0.00 175.17 174.98 1gdw s TYR 54 N 0.30 2.50 0.00 4.23 2.02 0.66 -1.80 117.35 125.27 1gdw s TYR 54 Ca 0.14 -0.87 0.00 0.00 -0.37 0.00 0.00 57.07 55.96 1gdw s TYR 54 Cb -0.12 -1.66 0.00 0.00 -0.40 0.00 0.00 41.96 39.78 1gdw s TYR 54 CO 0.02 -0.31 0.00 0.41 -1.57 0.00 0.00 175.55 174.10 1gdw n GLY 55 N 3.22 -1.85 0.26 0.71 0.00 -0.08 -1.76 105.19 105.69 1gdw n GLY 55 Ca -0.18 -1.43 0.07 0.00 0.00 0.00 0.00 46.02 44.48 1gdw n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gdw h ILE 56 N 0.00 1.03 -0.35 -0.61 2.10 -1.69 -1.00 117.51 116.98 1gdw h ILE 56 Ca 0.00 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.82 1gdw h ILE 56 Cb 0.00 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 36.77 1gdw h ILE 56 CO 0.00 0.04 0.00 0.49 -1.08 0.00 0.00 178.15 177.60 1gdw n PHE 57 N -4.50 0.46 -3.91 2.19 0.99 -1.26 -3.91 117.46 107.53 1gdw n PHE 57 Ca -0.03 -0.34 -0.36 0.00 -0.00 0.00 0.00 57.45 56.72 1gdw n PHE 57 Cb 0.12 -0.01 0.02 0.00 -1.00 0.00 0.00 39.48 38.60 1gdw n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1gdw n GLN 58 N 0.96 -1.14 -2.67 -1.08 1.13 -0.38 -4.90 117.38 109.29 1gdw n GLN 58 Ca 0.15 0.28 -0.42 0.00 -1.94 0.00 0.00 57.00 55.07 1gdw n GLN 58 Cb 0.48 -3.57 -0.04 0.00 0.11 0.00 0.00 30.24 27.22 1gdw n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gdw s ILE 59 N -3.62 4.57 0.13 5.09 1.01 -0.72 -4.39 121.20 123.26 1gdw s ILE 59 Ca 0.38 1.97 -0.29 0.00 0.00 0.00 0.00 60.65 62.71 1gdw s ILE 59 Cb -0.17 -4.26 -0.06 0.00 0.01 0.00 0.00 42.46 37.97 1gdw s ILE 59 CO 0.92 0.22 0.92 0.21 0.00 0.00 0.00 174.94 177.21 1gdw s ASN 60 N 0.55 7.48 0.45 3.58 3.84 -1.26 -0.24 114.94 129.35 1gdw s ASN 60 Ca 0.51 1.77 0.31 0.00 0.21 0.00 0.00 52.86 55.65 1gdw s ASN 60 Cb -0.23 -2.57 1.31 0.00 -0.55 0.00 0.00 41.25 39.21 1gdw s ASN 60 CO 0.29 0.01 1.91 0.77 -2.79 0.00 0.00 177.10 177.29 1gdw h SER 61 N 5.24 0.00 -0.11 -4.21 4.64 -1.34 -2.15 113.55 115.62 1gdw h SER 61 Ca -0.44 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.80 1gdw h SER 61 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 1gdw h SER 61 CO 0.71 0.00 -0.18 -0.09 -0.87 0.00 0.00 176.83 176.40 1gdw h ARG 62 N 0.00 0.49 0.00 4.77 2.43 -1.84 -3.39 114.38 116.84 1gdw h ARG 62 Ca 0.00 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1gdw h ARG 62 Cb 0.41 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1gdw h ARG 62 CO 0.00 0.65 -0.95 0.66 -1.51 0.00 0.00 179.97 178.82 1gdw n TYR 63 N -4.17 0.00 -0.09 2.20 4.02 -1.17 -0.44 117.16 117.51 1gdw n TYR 63 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.81 1gdw n TYR 63 Cb 0.36 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.53 1gdw n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1gdw n TRP 64 N -1.97 0.00 -4.06 -0.72 7.02 -0.82 -1.02 117.44 115.88 1gdw n TRP 64 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 1gdw n TRP 64 Cb 0.48 -0.90 -0.10 0.00 -2.42 0.00 0.00 31.31 28.38 1gdw n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1gdw s ASN 66 N -2.92 5.79 0.00 0.00 2.47 -0.36 -4.61 114.94 115.31 1gdw s ASN 66 Ca 0.08 0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.39 1gdw s ASN 66 Cb 0.07 -2.03 0.00 0.00 -1.45 0.00 0.00 41.25 37.84 1gdw s ASN 66 CO -0.09 0.06 0.67 -0.90 -3.72 0.00 0.00 177.10 173.12 1gdw n ASP 67 N 4.29 1.31 0.00 -4.21 5.75 -1.26 -1.27 116.55 121.15 1gdw n ASP 67 Ca -0.16 -1.39 0.00 0.00 -0.01 0.00 0.00 54.79 53.24 1gdw n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1gdw n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1gdw n GLY 68 N -0.19 0.28 0.06 6.12 0.00 -1.26 -4.75 105.19 105.44 1gdw n GLY 68 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1gdw n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1gdw n LYS 69 N -2.00 1.75 -3.69 1.61 2.85 -1.26 -4.97 118.16 112.45 1gdw n LYS 69 Ca 0.00 -1.47 -0.38 0.00 -1.05 0.00 0.00 58.31 55.40 1gdw n LYS 69 Cb 0.00 -0.96 -0.12 0.00 -0.65 0.00 0.00 35.03 33.30 1gdw n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1gdw s THR 70 N -1.10 4.34 0.05 0.58 2.01 -1.26 -4.94 115.64 115.32 1gdw s THR 70 Ca 0.07 -0.60 -0.35 0.00 0.31 0.00 0.00 61.69 61.12 1gdw s THR 70 Cb 0.06 -3.26 -0.14 0.00 0.01 0.00 0.00 72.50 69.17 1gdw s THR 70 CO 0.01 0.03 1.59 -2.65 -0.69 0.00 0.00 174.62 172.90 1gdw n PRO 71 N 4.94 1.80 -2.32 4.92 -0.02 -1.26 -2.48 135.00 140.57 1gdw n PRO 71 Ca -0.14 0.65 -0.15 0.00 -2.02 0.00 0.00 63.50 61.84 1gdw n PRO 71 Cb 0.48 -2.40 -0.01 0.00 -0.02 0.00 0.00 33.50 31.55 1gdw n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gdw n GLY 72 N 3.45 -0.29 3.90 -1.23 0.00 -1.26 -4.96 105.19 104.79 1gdw n GLY 72 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1gdw n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gdw s ALA 73 N -2.70 3.13 0.49 4.61 0.00 -1.04 -5.05 121.76 121.19 1gdw s ALA 73 Ca 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.52 1gdw s ALA 73 Cb 0.00 -2.84 -0.00 0.00 0.00 0.00 0.00 23.12 20.28 1gdw s ALA 73 CO 0.00 -0.86 0.02 1.33 0.00 0.00 0.00 175.76 176.25 1gdw n VAL 74 N -2.73 0.00 -3.18 0.00 0.24 0.42 -5.01 118.33 108.07 1gdw n VAL 74 Ca 0.05 -2.36 -0.22 0.00 -2.04 0.00 0.00 64.34 59.77 1gdw n VAL 74 Cb 0.57 0.53 -0.06 0.00 -1.47 0.00 0.00 33.84 33.40 1gdw n VAL 74 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1gdw n ASN 75 N -1.34 -0.54 0.25 -1.34 5.15 -1.23 -4.03 115.26 112.19 1gdw n ASN 75 Ca -0.19 -2.68 0.10 0.00 -0.60 0.00 0.00 54.58 51.22 1gdw n ASN 75 Cb 0.63 -0.22 0.65 0.00 -0.53 0.00 0.00 39.78 40.30 1gdw n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gdw h ALA 76 N 4.51 1.37 -0.00 5.20 0.00 -1.14 -1.46 119.26 127.74 1gdw h ALA 76 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1gdw h ALA 76 Cb 0.92 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1gdw h ALA 76 CO 0.40 0.19 -0.29 0.00 0.00 0.00 0.00 179.25 179.55 1gdw n HIS 78 N -1.31 -1.94 -4.08 0.00 -0.00 -0.55 -4.98 115.22 102.36 1gdw n HIS 78 Ca 0.08 0.73 -0.09 0.00 -0.00 0.00 0.00 57.72 58.44 1gdw n HIS 78 Cb 0.33 -4.06 -0.10 0.00 -0.00 0.00 0.00 29.99 26.16 1gdw n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1gdw s LEU 79 N -6.51 2.41 0.27 2.41 1.43 -1.26 -5.07 118.68 112.35 1gdw s LEU 79 Ca 0.17 -0.83 -0.26 0.00 -1.03 0.00 0.00 54.13 52.18 1gdw s LEU 79 Cb -0.05 0.06 -0.09 0.00 0.03 0.00 0.00 46.19 46.14 1gdw s LEU 79 CO 0.82 -0.45 0.88 -0.55 0.23 0.00 0.00 176.35 177.28 1gdw s SER 80 N -2.45 7.35 0.60 2.29 0.15 -1.26 -1.22 113.70 119.16 1gdw s SER 80 Ca 0.01 1.75 0.30 0.00 0.70 0.00 0.00 55.95 58.71 1gdw s SER 80 Cb 0.01 -2.54 1.80 0.00 -1.71 0.00 0.00 66.02 63.58 1gdw s SER 80 CO -0.05 0.03 2.20 0.00 1.20 0.00 0.00 173.24 176.62 1gdw h SER 82 N 0.00 0.48 0.09 0.00 0.87 -1.91 0.11 113.55 113.20 1gdw h SER 82 Ca 0.03 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1gdw h SER 82 Cb 0.18 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1gdw h SER 82 CO -0.00 0.27 -0.02 0.00 -0.53 0.00 0.00 176.83 176.55 1gdw h ALA 83 N 1.64 1.33 -0.10 6.23 0.00 -1.31 -0.14 119.26 126.91 1gdw h ALA 83 Ca 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1gdw h ALA 83 Cb 0.68 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1gdw h ALA 83 CO -0.13 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.43 1gdw n LEU 84 N -3.58 1.47 -0.61 0.00 4.77 0.02 -3.55 117.00 115.52 1gdw n LEU 84 Ca -0.03 -0.57 0.06 0.00 -0.03 0.00 0.00 56.01 55.45 1gdw n LEU 84 Cb 0.11 -0.06 0.16 0.00 -2.33 0.00 0.00 43.42 41.31 1gdw n LEU 84 CO 0.26 0.28 0.63 0.18 -1.33 0.00 0.00 177.39 177.42 1gdw n LEU 85 N 0.17 3.06 -4.82 2.23 4.77 -0.07 -3.43 117.00 118.92 1gdw n LEU 85 Ca 0.17 -2.33 -0.33 0.00 -0.03 0.00 0.00 56.01 53.50 1gdw n LEU 85 Cb 0.32 -0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 41.05 1gdw n LEU 85 CO 0.14 0.69 0.66 -1.10 -1.33 0.00 0.00 177.39 176.46 1gdw s GLN 86 N -1.58 4.14 0.29 3.23 -0.21 -1.23 -4.59 119.66 119.70 1gdw s GLN 86 Ca 0.26 1.16 0.01 0.00 0.02 0.00 0.00 55.36 56.81 1gdw s GLN 86 Cb 0.17 -2.16 0.43 0.00 1.00 0.00 0.00 33.01 32.46 1gdw s GLN 86 CO 0.12 -0.12 1.78 -0.44 -2.12 0.00 0.00 175.29 174.51 1gdw h ASP 87 N 1.80 0.61 -3.18 5.90 5.19 -1.93 -3.39 116.42 121.42 1gdw h ASP 87 Ca -0.49 -0.15 -0.58 0.00 -0.62 0.00 0.00 57.03 55.18 1gdw h ASP 87 Cb 1.19 -0.16 -0.07 0.00 0.18 0.00 0.00 39.33 40.47 1gdw h ASP 87 CO 0.61 0.72 0.70 0.21 -3.12 0.00 0.00 179.24 178.36 1gdw s ASN 88 N -6.72 6.99 -0.01 6.45 3.84 -1.26 -4.87 114.94 119.36 1gdw s ASN 88 Ca -0.08 1.21 0.09 0.00 0.21 0.00 0.00 52.86 54.30 1gdw s ASN 88 Cb 0.15 -2.51 0.29 0.00 -0.55 0.00 0.00 41.25 38.63 1gdw s ASN 88 CO 0.79 -0.65 1.21 2.30 -2.79 0.00 0.00 177.10 177.96 1gdw n ILE 89 N 5.38 0.50 -0.15 -5.21 -5.35 -1.26 -4.44 119.36 108.84 1gdw n ILE 89 Ca 0.10 -0.44 -0.03 0.00 -0.27 0.00 0.00 62.75 62.10 1gdw n ILE 89 Cb 0.47 0.15 0.05 0.00 -1.74 0.00 0.00 39.64 38.57 1gdw n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gdw h ALA 90 N 3.51 0.52 -0.53 -1.28 0.00 -1.95 -0.18 119.26 119.35 1gdw h ALA 90 Ca 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1gdw h ALA 90 Cb 0.50 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1gdw h ALA 90 CO 0.02 -0.31 -0.05 -0.44 0.00 0.00 0.00 179.25 178.48 1gdw h ASP 91 N 0.23 0.93 -0.73 0.00 3.45 -1.86 -0.93 116.42 117.52 1gdw h ASP 91 Ca 0.23 -0.27 -0.05 0.00 0.43 0.00 0.00 57.03 57.37 1gdw h ASP 91 Cb 0.29 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.78 1gdw h ASP 91 CO -0.29 1.01 0.25 0.00 -1.57 0.00 0.00 179.24 178.63 1gdw h ALA 92 N 1.08 1.04 -0.43 3.45 0.00 -1.63 -0.98 119.26 121.80 1gdw h ALA 92 Ca 0.15 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1gdw h ALA 92 Cb 0.57 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1gdw h ALA 92 CO 0.03 0.65 -0.07 0.28 0.00 0.00 0.00 179.25 180.15 1gdw h VAL 93 N 1.09 1.27 -0.53 0.00 2.07 -0.82 0.89 116.25 120.23 1gdw h VAL 93 Ca 0.24 -1.16 -0.05 0.00 0.82 0.00 0.00 66.70 66.56 1gdw h VAL 93 Cb 0.28 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1gdw h VAL 93 CO -0.01 0.39 0.14 0.00 0.02 0.00 0.00 177.57 178.11 1gdw h ALA 94 N 0.87 1.25 -0.20 1.67 0.00 -0.90 -0.60 119.26 121.36 1gdw h ALA 94 Ca 0.11 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.63 1gdw h ALA 94 Cb 0.59 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1gdw h ALA 94 CO 0.04 0.52 -0.68 0.00 0.00 0.00 0.00 179.25 179.13 1gdw h ALA 96 N 0.67 1.44 -0.51 0.00 0.00 -0.32 -0.18 119.26 120.35 1gdw h ALA 96 Ca -0.02 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1gdw h ALA 96 Cb 1.29 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1gdw h ALA 96 CO 0.14 0.42 0.08 0.87 0.00 0.00 0.00 179.25 180.77 1gdw h LYS 97 N 0.64 0.85 -0.75 0.00 1.57 -1.01 -2.53 116.57 115.34 1gdw h LYS 97 Ca 0.15 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1gdw h LYS 97 Cb 0.16 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1gdw h LYS 97 CO -0.01 0.83 0.33 -0.09 -0.57 0.00 0.00 179.45 179.94 1gdw h ARG 98 N 0.73 1.09 -0.49 3.15 9.65 -0.78 -2.86 114.38 124.88 1gdw h ARG 98 Ca 0.16 -0.17 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1gdw h ARG 98 Cb 0.40 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.76 1gdw h ARG 98 CO 0.01 0.87 0.30 0.28 2.80 0.00 0.00 179.97 184.23 1gdw h VAL 99 N 1.08 1.14 0.00 0.20 2.07 -0.76 -2.60 116.25 117.39 1gdw h VAL 99 Ca 0.25 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1gdw h VAL 99 Cb 0.16 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1gdw h VAL 99 CO -0.03 0.15 0.00 1.33 0.02 0.00 0.00 177.57 179.04 1gdw n VAL 100 N -4.71 0.72 1.13 2.57 0.24 -0.98 -2.20 118.33 115.10 1gdw n VAL 100 Ca 0.02 0.18 0.12 0.00 -2.04 0.00 0.00 64.34 62.62 1gdw n VAL 100 Cb 0.05 -0.86 0.62 0.00 -1.47 0.00 0.00 33.84 32.17 1gdw n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1gdw n ARG 101 N -1.49 0.29 -1.92 7.34 1.74 -0.98 -3.89 116.66 117.76 1gdw n ARG 101 Ca 0.05 0.05 -0.30 0.00 -0.77 0.00 0.00 57.85 56.88 1gdw n ARG 101 Cb 0.21 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.21 1gdw n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1gdw s ASP 102 N -2.65 5.21 0.37 0.55 -0.00 -0.93 -4.94 116.67 114.28 1gdw s ASP 102 Ca 0.22 1.01 0.21 0.00 -0.00 0.00 0.00 52.55 53.99 1gdw s ASP 102 Cb 0.17 -1.74 1.28 0.00 -0.00 0.00 0.00 42.92 42.62 1gdw s ASP 102 CO 0.40 -1.47 1.62 1.55 -0.00 0.00 0.00 175.17 177.26 1gdw h PRO 103 N -0.73 0.13 0.00 8.23 0.13 -1.88 -1.86 132.00 136.01 1gdw h PRO 103 Ca -0.45 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.55 1gdw h PRO 103 Cb 1.27 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1gdw h PRO 103 CO 0.64 0.08 -0.61 1.96 -0.23 0.00 0.00 178.00 179.85 1gdw h GLN 104 N 0.13 0.00 0.00 0.86 4.20 -1.90 -3.50 115.11 114.90 1gdw h GLN 104 Ca 0.80 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.51 1gdw h GLN 104 Cb 2.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.90 1gdw h GLN 104 CO -0.64 0.51 0.00 0.41 -0.67 0.00 0.00 178.83 178.44 1gdw n GLY 105 N 1.25 1.63 0.32 3.46 0.00 -0.70 -2.54 105.19 108.60 1gdw n GLY 105 Ca 0.01 -0.64 0.20 0.00 0.00 0.00 0.00 46.02 45.59 1gdw n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gdw h ILE 106 N 0.00 0.16 0.00 -0.61 6.09 -1.92 -1.76 117.51 119.47 1gdw h ILE 106 Ca 0.00 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.38 1gdw h ILE 106 Cb 0.00 1.09 0.00 0.00 0.47 0.00 0.00 36.82 38.38 1gdw h ILE 106 CO 0.00 0.01 0.00 0.54 -3.07 0.00 0.00 178.15 175.63 1gdw n ARG 107 N -3.29 0.03 -0.18 2.19 1.74 -1.05 -2.54 116.66 113.56 1gdw n ARG 107 Ca -0.02 0.41 0.10 0.00 -0.77 0.00 0.00 57.85 57.57 1gdw n ARG 107 Cb 0.12 -1.59 0.41 0.00 -1.02 0.00 0.00 32.46 30.38 1gdw n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gdw h ALA 108 N 2.23 1.86 -2.05 7.54 0.00 -1.49 -3.37 119.26 123.98 1gdw h ALA 108 Ca 0.00 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 1gdw h ALA 108 Cb 0.14 -0.13 -0.13 0.00 0.00 0.00 0.00 17.79 17.67 1gdw h ALA 108 CO 0.00 -0.03 0.36 -1.58 0.00 0.00 0.00 179.25 178.00 1gdw s TRP 109 N -5.58 2.99 0.40 0.00 0.51 -1.05 -4.94 118.94 111.28 1gdw s TRP 109 Ca -0.09 0.17 0.08 0.00 -2.12 0.00 0.00 56.10 54.14 1gdw s TRP 109 Cb 0.20 -3.66 0.86 0.00 -0.81 0.00 0.00 33.47 30.06 1gdw s TRP 109 CO 0.77 -0.98 2.00 0.28 -0.51 0.00 0.00 176.95 178.50 1gdw h VAL 110 N 5.98 1.01 0.00 4.03 2.07 -1.88 -1.23 116.25 126.23 1gdw h VAL 110 Ca -0.25 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 1gdw h VAL 110 Cb 1.09 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1gdw h VAL 110 CO 0.96 0.11 -0.10 0.00 0.02 0.00 0.00 177.57 178.56 1gdw h ALA 111 N 1.67 1.80 -0.32 1.67 0.00 -1.94 -0.60 119.26 121.54 1gdw h ALA 111 Ca 0.25 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1gdw h ALA 111 Cb 0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1gdw h ALA 111 CO -0.07 0.13 -0.12 2.35 0.00 0.00 0.00 179.25 181.54 1gdw h TRP 112 N 0.00 0.74 -0.93 0.00 7.01 -1.54 0.71 115.95 121.93 1gdw h TRP 112 Ca -0.00 -0.17 -0.01 0.00 2.11 0.00 0.00 58.89 60.82 1gdw h TRP 112 Cb 0.19 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.03 1gdw h TRP 112 CO 0.00 0.85 0.55 0.00 -2.79 0.00 0.00 178.44 177.05 1gdw h ARG 113 N 0.42 1.27 -0.21 2.65 3.08 -1.18 0.16 114.38 120.58 1gdw h ARG 113 Ca 0.08 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 1gdw h ARG 113 Cb 0.63 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1gdw h ARG 113 CO 0.04 0.90 -0.23 -0.91 -1.07 0.00 0.00 179.97 178.70 1gdw h ASN 114 N 1.29 0.56 -0.00 7.04 2.35 -0.77 -3.36 115.58 122.69 1gdw h ASN 114 Ca 0.33 -0.49 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1gdw h ASN 114 Cb -0.04 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.17 1gdw h ASN 114 CO -0.06 0.94 0.00 0.54 -1.65 0.00 0.00 177.43 177.19 1gdw n ARG 115 N -4.40 -0.60 0.00 0.81 5.12 0.21 -4.85 116.66 112.94 1gdw n ARG 115 Ca -0.05 -0.67 0.00 0.00 -1.93 0.00 0.00 57.85 55.20 1gdw n ARG 115 Cb 0.43 -1.05 0.00 0.00 -1.16 0.00 0.00 32.46 30.67 1gdw n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1gdw s GLN 117 N -1.80 4.12 -1.43 0.00 0.74 -0.05 -2.17 119.66 119.07 1gdw s GLN 117 Ca 0.00 2.60 -0.01 0.00 0.05 0.00 0.00 55.36 58.00 1gdw s GLN 117 Cb 0.00 -3.06 0.00 0.00 1.10 0.00 0.00 33.01 31.06 1gdw s GLN 117 CO 0.00 -0.71 0.09 0.09 -0.55 0.00 0.00 175.29 174.20 1gdw n ASN 118 N 3.43 -4.96 -4.61 6.67 5.03 -1.26 -4.96 115.26 114.60 1gdw n ASN 118 Ca 0.13 0.03 -0.25 0.00 0.87 0.00 0.00 54.58 55.36 1gdw n ASN 118 Cb 0.36 -4.14 -0.09 0.00 -1.02 0.00 0.00 39.78 34.89 1gdw n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1gdw s ARG 119 N -5.16 2.03 -0.68 3.52 1.81 -0.92 -5.07 118.95 114.47 1gdw s ARG 119 Ca 0.05 -1.76 -0.24 0.00 -1.72 0.00 0.00 55.73 52.06 1gdw s ARG 119 Cb -0.03 -1.90 0.06 0.00 -0.45 0.00 0.00 34.95 32.63 1gdw s ARG 119 CO 0.07 0.15 1.06 0.34 -0.68 0.00 0.00 175.30 176.24 1gdw s ASP 120 N -3.69 6.17 0.00 0.23 -1.08 -1.26 -4.86 116.67 112.18 1gdw s ASP 120 Ca 0.34 -0.83 0.22 0.00 -0.52 0.00 0.00 52.55 51.76 1gdw s ASP 120 Cb -0.00 -2.46 0.41 0.00 -1.46 0.00 0.00 42.92 39.41 1gdw s ASP 120 CO 0.19 -1.56 1.38 1.33 0.52 0.00 0.00 175.17 177.02 1gdw n VAL 121 N 6.06 0.52 -0.15 1.11 0.24 -1.26 -4.52 118.33 120.33 1gdw n VAL 121 Ca -0.02 -0.76 0.18 0.00 -2.04 0.00 0.00 64.34 61.70 1gdw n VAL 121 Cb 0.46 0.97 0.56 0.00 -1.47 0.00 0.00 33.84 34.36 1gdw n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gdw h ARG 122 N 4.30 0.30 -0.61 7.34 3.08 -1.93 -2.12 114.38 124.74 1gdw h ARG 122 Ca 0.00 -0.02 0.18 0.00 0.07 0.00 0.00 59.98 60.21 1gdw h ARG 122 Cb 0.96 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 1gdw h ARG 122 CO 0.00 0.20 0.46 -0.56 -1.07 0.00 0.00 179.97 179.00 1gdw h GLN 123 N 0.31 0.00 0.00 0.04 3.07 -1.98 -2.12 115.11 114.43 1gdw h GLN 123 Ca 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 59.08 1gdw h GLN 123 Cb 0.99 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.54 1gdw h GLN 123 CO -0.10 0.00 -0.12 1.88 0.09 0.00 0.00 178.83 180.59 1gdw h TYR 124 N 0.00 0.00 -0.00 0.06 0.05 -1.72 -3.20 116.97 112.15 1gdw h TYR 124 Ca 0.29 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.07 1gdw h TYR 124 Cb 1.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.95 1gdw h TYR 124 CO 0.00 0.12 -0.03 1.33 -1.05 0.00 0.00 178.16 178.53 1gdw n VAL 125 N -3.34 0.00 -1.81 -2.88 0.24 -0.83 -4.81 118.33 104.91 1gdw n VAL 125 Ca -0.00 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.34 61.39 1gdw n VAL 125 Cb 0.32 1.04 -0.03 0.00 -1.47 0.00 0.00 33.84 33.70 1gdw n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1gdw s GLN 126 N -0.47 4.16 0.00 7.34 -1.52 -1.03 -2.21 119.66 125.93 1gdw s GLN 126 Ca 0.02 2.50 0.00 0.00 -1.95 0.00 0.00 55.36 55.93 1gdw s GLN 126 Cb 0.02 -3.34 0.00 0.00 -0.22 0.00 0.00 33.01 29.47 1gdw s GLN 126 CO 0.05 -0.74 0.00 0.41 -0.25 0.00 0.00 175.29 174.76 1gdw n GLY 127 N 4.01 0.85 0.18 3.09 0.00 -1.26 -4.91 105.19 107.15 1gdw n GLY 127 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1gdw n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gdw n GLY 129 N 1.33 -0.06 0.42 0.00 0.00 -1.26 -4.80 105.19 100.82 1gdw n GLY 129 Ca 0.13 -0.43 0.05 0.00 0.00 0.00 0.00 46.02 45.76 1gdw n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65