#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1go0 n SER -1 N 0.00 5.04 0.00 1.61 7.64 -1.26 -4.93 113.62 121.72 1go0 n SER -1 Ca 0.00 -2.42 0.00 0.00 1.01 0.00 0.00 58.87 57.46 1go0 n SER -1 Cb 0.00 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 61.90 1go0 n SER -1 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1go0 n VAL 1 N 2.31 0.00 -3.64 0.44 0.31 -1.26 -4.62 118.33 111.86 1go0 n VAL 1 Ca 0.32 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.62 1go0 n VAL 1 Cb 0.80 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.66 1go0 n VAL 1 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1go0 s ASP 2 N -4.00 -0.53 -0.16 4.52 -1.08 -1.26 -5.06 116.67 109.09 1go0 s ASP 2 Ca 0.00 0.87 0.17 0.00 -0.52 0.00 0.00 52.55 53.06 1go0 s ASP 2 Cb 0.00 1.20 0.44 0.00 -1.46 0.00 0.00 42.92 43.10 1go0 s ASP 2 CO 0.00 -0.14 1.19 2.22 0.52 0.00 0.00 175.17 178.96 1go0 n PHE 3 N 3.65 0.53 0.05 -5.34 1.16 -1.26 -4.84 117.46 111.41 1go0 n PHE 3 Ca -0.18 -1.34 -0.12 0.00 -1.87 0.00 0.00 57.45 53.93 1go0 n PHE 3 Cb 0.58 -0.23 -0.08 0.00 -1.61 0.00 0.00 39.48 38.14 1go0 n PHE 3 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1go0 h ALA 4 N 1.35 -0.06 -0.54 1.98 0.00 -1.97 0.27 119.26 120.29 1go0 h ALA 4 Ca -0.04 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1go0 h ALA 4 Cb 1.41 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1go0 h ALA 4 CO 0.16 -0.49 0.10 0.35 0.00 0.00 0.00 179.25 179.37 1go0 h PHE 5 N -0.13 0.93 -0.19 0.00 3.57 -1.96 -1.63 116.94 117.53 1go0 h PHE 5 Ca -0.01 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.37 1go0 h PHE 5 Cb 0.11 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 1go0 h PHE 5 CO -0.05 0.82 0.11 0.93 -2.23 0.00 0.00 178.31 177.89 1go0 h GLU 6 N 0.77 0.27 -0.62 1.11 4.39 -1.84 0.38 114.58 119.04 1go0 h GLU 6 Ca 0.16 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 1go0 h GLU 6 Cb 0.38 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 1go0 h GLU 6 CO 0.01 0.26 0.31 1.25 -1.16 0.00 0.00 179.01 179.68 1go0 h LEU 7 N 0.21 0.81 -0.68 1.33 5.85 -0.37 0.37 115.31 122.83 1go0 h LEU 7 Ca 0.07 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 1go0 h LEU 7 Cb 0.07 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1go0 h LEU 7 CO -0.01 0.70 0.25 0.03 -0.34 0.00 0.00 178.44 179.07 1go0 h ARG 8 N 0.85 1.03 -0.72 1.25 3.08 -1.09 -1.15 114.38 117.64 1go0 h ARG 8 Ca 0.22 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1go0 h ARG 8 Cb 0.10 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 1go0 h ARG 8 CO -0.03 0.87 0.36 -0.22 -1.07 0.00 0.00 179.97 179.88 1go0 h LYS 9 N 0.97 1.02 -0.66 0.04 3.64 0.42 -1.43 116.57 120.56 1go0 h LYS 9 Ca 0.22 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1go0 h LYS 9 Cb 0.25 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1go0 h LYS 9 CO -0.01 0.79 0.28 0.00 -2.27 0.00 0.00 179.45 178.24 1go0 h ALA 10 N 1.18 0.86 -0.44 5.00 0.00 0.17 0.25 119.26 126.28 1go0 h ALA 10 Ca 0.25 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1go0 h ALA 10 Cb 0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1go0 h ALA 10 CO -0.03 0.46 0.08 1.96 0.00 0.00 0.00 179.25 181.72 1go0 h GLN 11 N 0.93 0.67 0.00 0.00 4.20 -0.88 -0.71 115.11 119.32 1go0 h GLN 11 Ca 0.22 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1go0 h GLN 11 Cb 0.18 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1go0 h GLN 11 CO -0.02 0.62 -0.01 0.22 -0.67 0.00 0.00 178.83 178.97 1go0 h ASP 12 N 0.64 0.01 0.00 1.46 1.82 -0.65 -3.42 116.42 116.28 1go0 h ASP 12 Ca 0.14 -0.95 -0.03 0.00 -0.39 0.00 0.00 57.03 55.80 1go0 h ASP 12 Cb 0.28 -0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.28 1go0 h ASP 12 CO 0.00 0.96 -0.27 0.71 -1.61 0.00 0.00 179.24 179.03 1go0 h THR 13 N -0.94 0.66 0.00 2.25 1.35 -0.55 -3.47 112.91 112.20 1go0 h THR 13 Ca -0.00 -1.56 0.00 0.00 -0.55 0.00 0.00 66.41 64.29 1go0 h THR 13 Cb 0.96 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1go0 h THR 13 CO 0.00 0.22 0.00 0.61 -0.25 0.00 0.00 175.52 176.11 1go0 n GLY 14 N 1.65 0.75 3.54 5.82 0.00 -0.28 -4.87 105.19 111.80 1go0 n GLY 14 Ca -0.09 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 1go0 n GLY 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1go0 s LYS 15 N 0.92 0.56 -0.10 1.61 2.47 -0.35 -4.86 119.74 119.97 1go0 s LYS 15 Ca 0.00 1.24 0.03 0.00 -1.56 0.00 0.00 55.97 55.68 1go0 s LYS 15 Cb 0.00 0.46 0.01 0.00 -1.46 0.00 0.00 37.83 36.83 1go0 s LYS 15 CO 0.00 -0.19 -0.21 0.42 0.16 0.00 0.00 175.35 175.53 1go0 s ILE 16 N 2.29 1.87 -0.33 5.43 -1.09 -1.26 -1.15 121.20 126.96 1go0 s ILE 16 Ca -0.07 -0.89 -0.12 0.00 -2.23 0.00 0.00 60.65 57.34 1go0 s ILE 16 Cb -0.09 -1.64 -0.02 0.00 -1.58 0.00 0.00 42.46 39.13 1go0 s ILE 16 CO -0.18 0.52 0.21 -0.69 -1.23 0.00 0.00 174.94 173.57 1go0 s VAL 17 N 0.55 5.09 -0.26 2.92 1.01 0.53 -4.93 120.40 125.31 1go0 s VAL 17 Ca -0.15 -0.26 -0.25 0.00 0.00 0.00 0.00 61.98 61.33 1go0 s VAL 17 Cb -0.17 -3.60 -0.00 0.00 0.00 0.00 0.00 36.38 32.61 1go0 s VAL 17 CO 0.05 0.02 0.85 -0.32 0.00 0.00 0.00 175.10 175.70 1go0 s MET 18 N 1.69 4.14 0.00 2.72 1.75 -1.26 -0.22 119.30 128.12 1go0 s MET 18 Ca 0.06 0.91 0.00 0.00 -1.25 0.00 0.00 55.69 55.40 1go0 s MET 18 Cb -0.17 -3.67 0.00 0.00 2.84 0.00 0.00 34.83 33.83 1go0 s MET 18 CO 0.09 -0.58 0.00 0.41 -0.65 0.00 0.00 175.02 174.29 1go0 n GLY 19 N 3.82 3.34 0.23 2.11 0.00 -0.53 -4.90 105.19 109.27 1go0 n GLY 19 Ca 0.06 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 1go0 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1go0 h ALA 20 N 0.00 -0.51 0.00 4.61 0.00 -1.90 -0.27 119.26 121.19 1go0 h ALA 20 Ca 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1go0 h ALA 20 Cb 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1go0 h ALA 20 CO 0.00 -0.67 -0.38 0.07 0.00 0.00 0.00 179.25 178.27 1go0 h ARG 21 N -0.75 0.00 -0.45 0.00 0.11 -1.96 -2.60 114.38 108.74 1go0 h ARG 21 Ca -0.05 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.93 1go0 h ARG 21 Cb 0.51 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.57 1go0 h ARG 21 CO 0.09 0.38 -0.13 0.87 0.10 0.00 0.00 179.97 181.28 1go0 h LYS 22 N 0.00 0.82 -0.43 0.08 1.57 -1.87 -2.12 116.57 114.61 1go0 h LYS 22 Ca -0.00 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.45 1go0 h LYS 22 Cb 0.74 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1go0 h LYS 22 CO 0.05 0.91 0.11 0.77 -0.57 0.00 0.00 179.45 180.71 1go0 h SER 23 N 0.74 0.59 -0.64 0.86 0.02 -0.66 -1.08 113.55 113.38 1go0 h SER 23 Ca 0.12 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1go0 h SER 23 Cb 0.63 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 1go0 h SER 23 CO 0.04 0.59 0.35 0.40 -1.14 0.00 0.00 176.83 177.08 1go0 h ILE 24 N 0.63 1.20 -0.48 3.27 2.04 -1.24 0.13 117.51 123.06 1go0 h ILE 24 Ca 0.14 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1go0 h ILE 24 Cb 0.23 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1go0 h ILE 24 CO -0.00 0.22 0.25 -0.61 0.00 0.00 0.00 178.15 178.01 1go0 h GLN 25 N 0.87 0.69 -0.23 2.37 4.15 -0.69 -0.24 115.11 122.03 1go0 h GLN 25 Ca 0.23 -0.09 -0.09 0.00 0.77 0.00 0.00 58.65 59.47 1go0 h GLN 25 Cb 0.04 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 1go0 h GLN 25 CO -0.04 0.56 -0.24 1.88 -1.93 0.00 0.00 178.83 179.06 1go0 h TYR 26 N 0.64 0.47 -0.67 3.99 -1.99 -0.88 -1.15 116.97 117.37 1go0 h TYR 26 Ca 0.17 -0.09 -0.05 0.00 2.00 0.00 0.00 58.73 60.75 1go0 h TYR 26 Cb 0.08 -0.12 -0.03 0.00 2.00 0.00 0.00 36.73 38.67 1go0 h TYR 26 CO -0.01 0.64 0.22 0.00 -0.00 0.00 0.00 178.16 179.00 1go0 h ALA 27 N 1.37 1.11 -0.13 3.88 0.00 -0.18 0.20 119.26 125.50 1go0 h ALA 27 Ca 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1go0 h ALA 27 Cb 0.64 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1go0 h ALA 27 CO 0.05 0.61 -0.00 0.87 0.00 0.00 0.00 179.25 180.78 1go0 h LYS 28 N 0.99 0.24 -0.09 0.00 1.57 -0.42 -3.26 116.57 115.60 1go0 h LYS 28 Ca 0.22 -0.08 -0.19 0.00 -1.87 0.00 0.00 60.65 58.74 1go0 h LYS 28 Cb 0.27 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1go0 h LYS 28 CO -0.01 0.48 -0.73 0.00 -0.57 0.00 0.00 179.45 178.62 1go0 h MET 29 N -0.03 0.45 0.00 3.15 -0.00 -1.05 -3.49 114.93 113.96 1go0 h MET 29 Ca 0.04 -0.37 0.00 0.00 -0.00 0.00 0.00 59.70 59.37 1go0 h MET 29 Cb 0.37 0.08 0.00 0.00 -0.00 0.00 0.00 31.60 32.05 1go0 h MET 29 CO 0.01 1.00 0.00 0.41 -0.00 0.00 0.00 176.91 178.33 1go0 n GLY 30 N 0.56 -2.00 0.00 -3.00 0.00 0.70 -5.05 105.19 96.40 1go0 n GLY 30 Ca -0.05 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1go0 n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1go0 n GLY 31 N -0.43 3.73 3.77 -0.02 0.00 -1.26 -5.00 105.19 105.97 1go0 n GLY 31 Ca 0.00 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 1go0 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1go0 s ALA 32 N 0.00 3.65 0.05 4.61 0.00 -1.26 -4.91 121.76 123.90 1go0 s ALA 32 Ca 0.00 1.56 -0.18 0.00 0.00 0.00 0.00 51.96 53.34 1go0 s ALA 32 Cb 0.00 -3.62 -0.15 0.00 0.00 0.00 0.00 23.12 19.35 1go0 s ALA 32 CO 0.00 -1.01 1.30 0.87 0.00 0.00 0.00 175.76 176.92 1go0 h LYS 33 N 3.87 0.52 -3.77 0.00 1.79 -0.25 -3.45 116.57 115.28 1go0 h LYS 33 Ca -0.49 -0.34 -0.14 0.00 -2.18 0.00 0.00 60.65 57.50 1go0 h LYS 33 Cb 1.23 0.05 -0.19 0.00 -1.58 0.00 0.00 32.23 31.74 1go0 h LYS 33 CO 0.71 0.96 -0.55 -1.17 -1.08 0.00 0.00 179.45 178.32 1go0 s LEU 34 N -8.81 1.83 -0.09 2.94 2.96 -0.54 -4.06 118.68 112.92 1go0 s LEU 34 Ca -0.13 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.34 1go0 s LEU 34 Cb 0.06 0.52 0.02 0.00 0.50 0.00 0.00 46.19 47.29 1go0 s LEU 34 CO 0.81 -0.44 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.67 1go0 s ILE 35 N -2.12 1.09 -0.18 6.68 1.01 -0.32 0.53 121.20 127.89 1go0 s ILE 35 Ca -0.09 -0.40 -0.05 0.00 0.00 0.00 0.00 60.65 60.11 1go0 s ILE 35 Cb -0.04 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 1go0 s ILE 35 CO -0.02 0.36 0.00 -0.63 0.00 0.00 0.00 174.94 174.65 1go0 s ILE 36 N 1.12 4.20 -0.05 2.92 1.01 -0.13 0.28 121.20 130.56 1go0 s ILE 36 Ca -0.06 -0.24 0.05 0.00 0.00 0.00 0.00 60.65 60.40 1go0 s ILE 36 Cb -0.14 -2.87 -0.00 0.00 0.01 0.00 0.00 42.46 39.45 1go0 s ILE 36 CO -0.02 0.46 -0.19 0.68 0.00 0.00 0.00 174.94 175.88 1go0 s VAL 37 N 0.53 1.60 0.61 2.92 -7.23 -0.41 -0.83 120.40 117.59 1go0 s VAL 37 Ca -0.01 -0.80 -0.17 0.00 -1.81 0.00 0.00 61.98 59.19 1go0 s VAL 37 Cb -0.14 -1.37 -0.03 0.00 0.56 0.00 0.00 36.38 35.41 1go0 s VAL 37 CO 0.02 0.45 1.10 0.00 -0.31 0.00 0.00 175.10 176.37 1go0 s ALA 38 N 0.03 2.60 0.18 1.32 0.00 -0.39 0.20 121.76 125.70 1go0 s ALA 38 Ca -0.05 0.60 -0.10 0.00 0.00 0.00 0.00 51.96 52.41 1go0 s ALA 38 Cb -0.13 -3.31 0.07 0.00 0.00 0.00 0.00 23.12 19.75 1go0 s ALA 38 CO 0.03 -1.00 1.67 0.00 0.00 0.00 0.00 175.76 176.45 1go0 h ARG 39 N 0.51 1.02 -0.64 0.00 2.47 -1.60 -2.51 114.38 113.63 1go0 h ARG 39 Ca -0.48 -0.28 0.00 0.00 -1.26 0.00 0.00 59.98 57.97 1go0 h ARG 39 Cb 1.24 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 1go0 h ARG 39 CO 0.56 0.96 0.00 0.27 0.56 0.00 0.00 179.97 182.31 1go0 n ASN 40 N -4.28 1.18 -4.79 7.04 6.94 -1.26 -4.87 115.26 115.22 1go0 n ASN 40 Ca 0.03 -2.07 -0.35 0.00 -0.02 0.00 0.00 54.58 52.17 1go0 n ASN 40 Cb 0.28 -0.35 -0.04 0.00 -2.36 0.00 0.00 39.78 37.31 1go0 n ASN 40 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1go0 s ALA 41 N -1.46 2.98 0.23 -2.53 0.00 -0.95 -4.94 121.76 115.10 1go0 s ALA 41 Ca 0.06 0.67 -0.32 0.00 0.00 0.00 0.00 51.96 52.38 1go0 s ALA 41 Cb 0.04 -3.27 -0.13 0.00 0.00 0.00 0.00 23.12 19.77 1go0 s ALA 41 CO 0.03 -0.28 1.52 0.54 0.00 0.00 0.00 175.76 177.57 1go0 n ARG 42 N -0.49 2.29 -0.28 0.00 5.12 -1.26 -4.86 116.66 117.18 1go0 n ARG 42 Ca 0.07 0.82 0.03 0.00 -1.93 0.00 0.00 57.85 56.84 1go0 n ARG 42 Cb 0.51 -2.55 0.24 0.00 -1.16 0.00 0.00 32.46 29.50 1go0 n ARG 42 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1go0 h PRO 43 N 5.02 1.00 -0.80 5.56 0.11 -1.95 -1.24 132.00 139.69 1go0 h PRO 43 Ca -0.45 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.61 1go0 h PRO 43 Cb 1.25 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 1go0 h PRO 43 CO 0.82 0.66 0.53 0.38 -0.21 0.00 0.00 178.00 180.18 1go0 h ASP 44 N 1.03 0.91 -0.19 -2.05 2.03 -1.99 0.17 116.42 116.33 1go0 h ASP 44 Ca 0.35 -0.02 -0.02 0.00 -0.73 0.00 0.00 57.03 56.61 1go0 h ASP 44 Cb 0.09 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 38.36 1go0 h ASP 44 CO -0.11 0.65 0.02 0.40 -1.03 0.00 0.00 179.24 179.17 1go0 h ILE 45 N 1.06 1.23 -0.05 4.15 1.08 -1.62 -1.91 117.51 121.45 1go0 h ILE 45 Ca 0.30 -0.76 -0.00 0.00 -0.39 0.00 0.00 64.86 64.01 1go0 h ILE 45 Cb -0.09 1.37 -0.00 0.00 -3.07 0.00 0.00 36.82 35.03 1go0 h ILE 45 CO -0.07 0.23 0.03 0.11 -0.69 0.00 0.00 178.15 177.76 1go0 h LYS 46 N 0.10 0.07 -0.41 2.37 1.57 -0.64 -0.86 116.57 118.77 1go0 h LYS 46 Ca 0.06 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1go0 h LYS 46 Cb 0.33 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1go0 h LYS 46 CO 0.00 0.08 0.25 0.93 -0.57 0.00 0.00 179.45 180.15 1go0 h GLU 47 N 0.03 0.50 -0.11 3.15 4.39 -0.67 0.18 114.58 122.05 1go0 h GLU 47 Ca 0.02 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1go0 h GLU 47 Cb 0.03 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1go0 h GLU 47 CO -0.00 0.33 0.04 -0.44 -1.16 0.00 0.00 179.01 177.78 1go0 h ASP 48 N 0.52 0.15 0.29 1.42 5.19 -1.26 -0.09 116.42 122.64 1go0 h ASP 48 Ca 0.16 -0.18 -0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1go0 h ASP 48 Cb -0.03 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.43 1go0 h ASP 48 CO -0.05 0.29 -0.22 0.40 -3.12 0.00 0.00 179.24 176.54 1go0 h ILE 49 N 0.01 0.54 -0.74 0.35 2.04 -0.91 -1.51 117.51 117.29 1go0 h ILE 49 Ca 0.04 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 1go0 h ILE 49 Cb 0.19 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1go0 h ILE 49 CO -0.00 0.00 0.39 -0.33 0.00 0.00 0.00 178.15 178.21 1go0 h GLU 50 N -0.51 1.03 0.17 2.37 5.08 -0.62 0.30 114.58 122.41 1go0 h GLU 50 Ca -0.02 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1go0 h GLU 50 Cb 0.45 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1go0 h GLU 50 CO -0.00 0.78 -0.08 -0.92 -1.00 0.00 0.00 179.01 177.78 1go0 h TYR 51 N 1.02 -0.21 -0.19 4.33 3.20 -0.84 -0.90 116.97 123.37 1go0 h TYR 51 Ca 0.26 -0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.92 1go0 h TYR 51 Cb 0.05 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.40 1go0 h TYR 51 CO 0.00 -0.05 -0.68 1.88 -1.64 0.00 0.00 178.16 177.68 1go0 h TYR 52 N -0.33 1.00 -0.40 -3.82 -1.99 -1.19 -2.93 116.97 107.31 1go0 h TYR 52 Ca -0.02 -0.40 -0.00 0.00 2.00 0.00 0.00 58.73 60.30 1go0 h TYR 52 Cb 0.26 -0.17 -0.02 0.00 2.00 0.00 0.00 36.73 38.80 1go0 h TYR 52 CO -0.03 1.22 0.24 0.00 -0.00 0.00 0.00 178.16 179.59 1go0 h ALA 53 N 0.68 0.51 -0.70 3.88 0.00 -0.35 -1.65 119.26 121.63 1go0 h ALA 53 Ca -0.02 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1go0 h ALA 53 Cb 1.29 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1go0 h ALA 53 CO 0.14 0.01 0.46 0.00 0.00 0.00 0.00 179.25 179.86 1go0 h ARG 54 N 0.53 0.82 -0.13 0.00 3.08 -1.17 0.72 114.38 118.23 1go0 h ARG 54 Ca 0.14 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1go0 h ARG 54 Cb -0.00 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 1go0 h ARG 54 CO -0.03 0.54 0.06 -0.07 -1.07 0.00 0.00 179.97 179.40 1go0 h LEU 55 N 0.84 0.17 -0.00 3.04 3.38 -1.20 -2.22 115.31 119.33 1go0 h LEU 55 Ca 0.28 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1go0 h LEU 55 Cb 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1go0 h LEU 55 CO -0.08 0.25 0.00 -1.20 0.09 0.00 0.00 178.44 177.50 1go0 n SER 56 N -4.92 0.00 -1.99 -0.43 7.64 -0.68 -4.88 113.62 108.37 1go0 n SER 56 Ca -0.05 -1.10 -0.14 0.00 1.01 0.00 0.00 58.87 58.60 1go0 n SER 56 Cb 0.10 -0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.32 1go0 n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1go0 n GLY 57 N 0.95 -0.01 3.50 0.23 0.00 0.53 -4.83 105.19 105.56 1go0 n GLY 57 Ca 0.22 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1go0 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1go0 s ILE 58 N -2.97 4.82 0.21 -0.61 1.01 0.22 -4.97 121.20 118.90 1go0 s ILE 58 Ca 0.22 -0.13 -0.30 0.00 0.00 0.00 0.00 60.65 60.43 1go0 s ILE 58 Cb -0.10 -3.35 -0.09 0.00 0.01 0.00 0.00 42.46 38.93 1go0 s ILE 58 CO 0.27 0.20 1.41 -2.84 0.00 0.00 0.00 174.94 173.98 1go0 s PRO 59 N 1.67 4.30 -0.26 2.79 0.02 -1.26 -3.96 135.00 138.31 1go0 s PRO 59 Ca 0.06 2.21 -0.09 0.00 0.02 0.00 0.00 61.00 63.20 1go0 s PRO 59 Cb -0.16 -3.15 -0.04 0.00 0.02 0.00 0.00 34.50 31.16 1go0 s PRO 59 CO 0.07 -0.39 0.14 0.08 -0.33 0.00 0.00 177.00 176.57 1go0 s VAL 60 N 0.26 4.89 -0.17 3.83 1.01 -1.26 -1.18 120.40 127.78 1go0 s VAL 60 Ca 0.60 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 62.54 1go0 s VAL 60 Cb -0.40 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1go0 s VAL 60 CO 0.39 0.30 0.04 -0.47 0.00 0.00 0.00 175.10 175.36 1go0 s TYR 61 N 1.61 3.20 -0.08 5.22 5.04 0.14 -4.91 117.35 127.56 1go0 s TYR 61 Ca 0.07 -0.01 -0.23 0.00 -2.44 0.00 0.00 57.07 54.46 1go0 s TYR 61 Cb -0.15 -2.04 -0.04 0.00 0.35 0.00 0.00 41.96 40.08 1go0 s TYR 61 CO 0.07 0.12 0.68 -1.21 -1.34 0.00 0.00 175.55 173.87 1go0 s GLU 62 N 0.33 4.41 0.06 4.97 2.02 -1.26 -1.28 118.70 127.94 1go0 s GLU 62 Ca 0.02 0.82 -0.31 0.00 0.02 0.00 0.00 54.97 55.52 1go0 s GLU 62 Cb -0.13 -3.46 -0.07 0.00 0.10 0.00 0.00 34.13 30.58 1go0 s GLU 62 CO 0.01 0.04 1.40 0.12 0.02 0.00 0.00 175.26 176.85 1go0 s PHE 63 N 0.91 3.02 -1.53 1.61 5.36 0.13 -4.89 117.98 122.59 1go0 s PHE 63 Ca 0.36 0.86 -0.10 0.00 -0.96 0.00 0.00 56.93 57.09 1go0 s PHE 63 Cb -0.17 -3.68 -0.07 0.00 -0.34 0.00 0.00 43.02 38.75 1go0 s PHE 63 CO 0.17 -2.46 2.79 -1.91 -1.46 0.00 0.00 175.22 172.35 1go0 n GLU 64 N 4.69 3.43 -1.24 10.12 4.07 -1.26 -3.69 120.64 136.76 1go0 n GLU 64 Ca 0.12 -2.16 0.00 0.00 -0.06 0.00 0.00 57.16 55.06 1go0 n GLU 64 Cb 0.43 -2.82 0.00 0.00 -0.06 0.00 0.00 31.44 28.99 1go0 n GLU 64 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1go0 n GLY 65 N 3.66 -0.66 3.74 8.31 0.00 -1.26 -5.01 105.19 113.96 1go0 n GLY 65 Ca 0.72 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 1go0 n GLY 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1go0 s THR 66 N -3.62 2.29 0.38 2.61 -4.23 -1.26 -2.79 115.64 109.02 1go0 s THR 66 Ca 0.00 -1.70 0.07 0.00 -1.18 0.00 0.00 61.69 58.88 1go0 s THR 66 Cb 0.00 -3.00 0.20 0.00 1.34 0.00 0.00 72.50 71.05 1go0 s THR 66 CO 0.00 0.00 1.96 0.77 -0.54 0.00 0.00 174.62 176.81 1go0 h SER 67 N 1.43 0.39 -0.09 3.99 4.64 -1.90 0.03 113.55 122.04 1go0 h SER 67 Ca -0.43 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1go0 h SER 67 Cb 1.25 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1go0 h SER 67 CO 0.70 0.41 0.04 0.58 -0.87 0.00 0.00 176.83 177.69 1go0 h VAL 68 N 0.43 1.14 -0.62 0.95 2.07 -1.93 0.35 116.25 118.64 1go0 h VAL 68 Ca 0.10 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1go0 h VAL 68 Cb 0.19 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1go0 h VAL 68 CO -0.00 0.12 0.36 -0.08 0.02 0.00 0.00 177.57 177.99 1go0 h GLU 69 N -0.01 0.85 -0.31 1.57 4.57 -1.81 -0.97 114.58 118.47 1go0 h GLU 69 Ca 0.03 -0.09 -0.08 0.00 -1.18 0.00 0.00 59.36 58.05 1go0 h GLU 69 Cb 0.16 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1go0 h GLU 69 CO -0.00 0.63 -0.11 1.25 -1.18 0.00 0.00 179.01 179.60 1go0 h LEU 70 N 0.84 0.63 -0.63 1.64 5.85 -0.81 0.67 115.31 123.50 1go0 h LEU 70 Ca 0.22 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.58 1go0 h LEU 70 Cb 0.01 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1go0 h LEU 70 CO -0.04 0.87 0.39 1.23 -0.34 0.00 0.00 178.44 180.55 1go0 h GLY 71 N 0.39 0.90 1.45 3.75 0.00 -0.08 -0.28 103.07 109.20 1go0 h GLY 71 Ca 0.08 -0.29 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 1go0 h GLY 71 CO 0.04 0.25 -0.09 -0.84 0.00 0.00 0.00 176.54 175.90 1go0 h THR 72 N 0.76 1.24 -0.33 4.70 2.02 -1.08 -0.29 112.91 119.94 1go0 h THR 72 Ca 0.25 -1.06 0.02 0.00 0.77 0.00 0.00 66.41 66.39 1go0 h THR 72 Cb 0.02 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1go0 h THR 72 CO -0.10 0.36 0.18 0.25 0.37 0.00 0.00 175.52 176.58 1go0 h LEU 73 N 0.61 0.29 -0.92 2.58 7.12 0.38 -1.59 115.31 123.78 1go0 h LEU 73 Ca 0.11 0.01 -0.10 0.00 0.13 0.00 0.00 57.88 58.03 1go0 h LEU 73 Cb 0.51 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.58 1go0 h LEU 73 CO 0.03 0.21 -0.34 -0.07 -0.13 0.00 0.00 178.44 178.14 1go0 h LEU 74 N 0.37 0.38 -0.56 2.25 4.07 -0.87 -3.47 115.31 117.49 1go0 h LEU 74 Ca 0.13 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1go0 h LEU 74 Cb 0.02 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.65 1go0 h LEU 74 CO -0.07 0.70 0.00 0.61 -1.08 0.00 0.00 178.44 178.60 1go0 n GLY 75 N -0.26 0.79 3.63 0.83 0.00 -0.16 -5.06 105.19 104.96 1go0 n GLY 75 Ca -0.01 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 1go0 n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1go0 s ARG 76 N -4.23 3.44 0.00 1.61 6.06 -0.92 -4.99 118.95 119.92 1go0 s ARG 76 Ca 0.00 -0.41 0.00 0.00 -2.50 0.00 0.00 55.73 52.82 1go0 s ARG 76 Cb 0.00 -2.95 0.00 0.00 0.06 0.00 0.00 34.95 32.06 1go0 s ARG 76 CO 0.00 0.48 0.91 -0.35 -2.50 0.00 0.00 175.30 173.84 1go0 n PRO 77 N 2.85 0.49 -3.64 5.12 -0.04 -1.26 -4.58 135.00 133.95 1go0 n PRO 77 Ca -0.18 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.22 1go0 n PRO 77 Cb 0.53 -1.25 -0.07 0.00 -0.04 0.00 0.00 33.50 32.67 1go0 n PRO 77 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1go0 s HIS 78 N 0.94 -0.29 0.08 0.54 -3.43 -1.26 -5.14 115.29 106.72 1go0 s HIS 78 Ca 0.00 0.71 -0.31 0.00 -0.80 0.00 0.00 55.06 54.66 1go0 s HIS 78 Cb 0.00 0.42 -0.08 0.00 -1.43 0.00 0.00 32.58 31.48 1go0 s HIS 78 CO 0.00 -0.14 1.58 0.95 -2.00 0.00 0.00 174.74 175.12 1go0 s THR 79 N 0.10 3.08 -0.18 -5.38 -4.23 -1.26 -4.73 115.64 103.04 1go0 s THR 79 Ca 0.05 0.61 -0.15 0.00 -1.18 0.00 0.00 61.69 61.01 1go0 s THR 79 Cb -0.05 -3.39 -0.04 0.00 1.34 0.00 0.00 72.50 70.36 1go0 s THR 79 CO -0.10 0.01 0.37 0.54 -0.54 0.00 0.00 174.62 174.90 1go0 s VAL 80 N 2.20 5.24 -0.00 2.29 0.11 -1.21 -4.93 120.40 124.10 1go0 s VAL 80 Ca 0.71 0.67 -0.02 0.00 -2.93 0.00 0.00 61.98 60.41 1go0 s VAL 80 Cb -0.39 -3.70 -0.27 0.00 -1.53 0.00 0.00 36.38 30.49 1go0 s VAL 80 CO 0.31 0.31 0.84 -1.28 -3.33 0.00 0.00 175.10 171.95 1go0 h SER 81 N 7.03 0.36 -5.00 3.54 0.87 -1.94 -3.40 113.55 115.02 1go0 h SER 81 Ca -0.39 -0.52 -0.06 0.00 -1.23 0.00 0.00 61.79 59.59 1go0 h SER 81 Cb 1.17 -0.12 -0.18 0.00 -0.44 0.00 0.00 62.40 62.83 1go0 h SER 81 CO 0.74 1.44 0.11 0.00 -0.53 0.00 0.00 176.83 178.58 1go0 s ALA 82 N -2.62 -1.56 -0.02 6.23 0.00 -1.26 -1.26 121.76 121.27 1go0 s ALA 82 Ca -0.09 0.99 -0.02 0.00 0.00 0.00 0.00 51.96 52.84 1go0 s ALA 82 Cb 0.07 0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.38 1go0 s ALA 82 CO 0.85 -0.43 0.05 -0.48 0.00 0.00 0.00 175.76 175.75 1go0 s LEU 83 N -1.53 1.64 -0.31 0.00 0.05 -0.01 -1.45 118.68 117.07 1go0 s LEU 83 Ca -0.09 0.10 -0.17 0.00 0.05 0.00 0.00 54.13 54.02 1go0 s LEU 83 Cb -0.01 0.15 -0.02 0.00 -2.05 0.00 0.00 46.19 44.27 1go0 s LEU 83 CO 0.05 -0.04 0.48 0.00 -0.55 0.00 0.00 176.35 176.29 1go0 s ALA 84 N 0.25 3.52 -1.06 1.48 0.00 0.69 -0.95 121.76 125.69 1go0 s ALA 84 Ca -0.02 -0.89 -0.21 0.00 0.00 0.00 0.00 51.96 50.84 1go0 s ALA 84 Cb -0.03 -2.93 0.08 0.00 0.00 0.00 0.00 23.12 20.24 1go0 s ALA 84 CO -0.01 -1.01 1.44 0.08 0.00 0.00 0.00 175.76 176.26 1go0 s VAL 85 N 2.31 4.17 0.18 0.00 1.01 0.19 -0.35 120.40 127.90 1go0 s VAL 85 Ca 0.18 -1.23 -0.13 0.00 0.00 0.00 0.00 61.98 60.80 1go0 s VAL 85 Cb -0.16 -5.02 0.07 0.00 0.00 0.00 0.00 36.38 31.28 1go0 s VAL 85 CO 0.12 -1.85 1.82 0.58 0.00 0.00 0.00 175.10 175.76 1go0 h VAL 86 N 6.27 1.16 -1.90 2.92 2.07 -1.34 0.15 116.25 125.58 1go0 h VAL 86 Ca 0.24 -0.35 0.06 0.00 0.82 0.00 0.00 66.70 67.47 1go0 h VAL 86 Cb 0.98 0.39 -0.21 0.00 -1.52 0.00 0.00 31.29 30.92 1go0 h VAL 86 CO 1.36 0.17 0.01 -0.62 0.02 0.00 0.00 177.57 178.51 1go0 s ASP 87 N -5.77 -0.96 0.35 0.57 2.15 -1.09 -1.85 116.67 110.06 1go0 s ASP 87 Ca -0.13 1.44 0.07 0.00 0.43 0.00 0.00 52.55 54.35 1go0 s ASP 87 Cb 0.13 1.72 0.65 0.00 -0.30 0.00 0.00 42.92 45.11 1go0 s ASP 87 CO 0.76 -0.22 1.86 -0.65 -0.17 0.00 0.00 175.17 176.75 1go0 h PRO 88 N 7.30 0.37 0.00 4.34 0.11 -1.86 -0.92 132.00 141.34 1go0 h PRO 88 Ca -0.25 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1go0 h PRO 88 Cb 1.17 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1go0 h PRO 88 CO 0.14 0.49 0.00 0.41 -0.21 0.00 0.00 178.00 178.83 1go0 n GLY 89 N -0.76 1.81 0.22 -0.55 0.00 -1.26 -2.56 105.19 102.08 1go0 n GLY 89 Ca 0.00 -0.45 0.10 0.00 0.00 0.00 0.00 46.02 45.67 1go0 n GLY 89 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1go0 h GLU 90 N 0.00 0.00 -6.94 1.61 3.07 -1.91 -3.45 114.58 106.96 1go0 h GLU 90 Ca 0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.34 1go0 h GLU 90 Cb 0.00 0.00 0.08 0.00 -0.84 0.00 0.00 28.75 27.99 1go0 h GLU 90 CO 0.00 0.22 0.60 0.45 -1.40 0.00 0.00 179.01 178.88 1go0 s SER 91 N -6.18 6.38 -0.68 1.42 0.15 -1.06 -4.94 113.70 108.79 1go0 s SER 91 Ca 0.02 2.63 -0.00 0.00 0.70 0.00 0.00 55.95 59.29 1go0 s SER 91 Cb 0.09 -2.64 0.41 0.00 -1.71 0.00 0.00 66.02 62.17 1go0 s SER 91 CO 0.65 -0.80 1.86 -2.11 1.20 0.00 0.00 173.24 174.03 1go0 n ARG 92 N 0.20 2.88 0.23 5.44 1.85 -1.26 -4.66 116.66 121.34 1go0 n ARG 92 Ca 0.03 -3.59 0.07 0.00 -1.00 0.00 0.00 57.85 53.37 1go0 n ARG 92 Cb 0.44 -2.28 0.56 0.00 -1.05 0.00 0.00 32.46 30.13 1go0 n ARG 92 CO 0.00 0.00 0.00 0.97 -0.01 0.00 0.00 177.63 178.59 1go0 h ILE 93 N 1.66 0.95 0.00 8.89 6.09 -1.92 -2.15 117.51 131.03 1go0 h ILE 93 Ca 0.54 -0.70 -0.00 0.00 -1.37 0.00 0.00 64.86 63.33 1go0 h ILE 93 Cb 0.59 1.40 -0.00 0.00 0.47 0.00 0.00 36.82 39.28 1go0 h ILE 93 CO 1.38 0.19 -0.01 -0.07 -3.07 0.00 0.00 178.15 176.57 1go0 h LEU 94 N 0.00 0.00 -0.56 2.19 3.38 -1.83 -2.64 115.31 115.85 1go0 h LEU 94 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1go0 h LEU 94 Cb 0.38 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1go0 h LEU 94 CO 0.02 0.01 0.33 0.00 0.09 0.00 0.00 178.44 178.89 1go0 h ALA 95 N 1.99 0.71 -0.45 1.53 0.00 -1.77 -2.89 119.26 118.38 1go0 h ALA 95 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1go0 h ALA 95 Cb 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1go0 h ALA 95 CO 0.00 0.21 0.00 1.47 0.00 0.00 0.00 179.25 180.93 1go0 n LEU 96 N -4.63 3.81 -3.16 0.00 -0.00 -1.11 -4.86 117.00 107.04 1go0 n LEU 96 Ca 0.03 -2.37 0.04 0.00 -0.00 0.00 0.00 56.01 53.71 1go0 n LEU 96 Cb 0.07 -0.43 -0.01 0.00 -0.00 0.00 0.00 43.42 43.04 1go0 n LEU 96 CO 0.36 0.77 0.32 -0.83 -0.00 0.00 0.00 177.39 178.01 1go0 s GLY 97 N -1.19 -0.75 0.00 1.47 0.00 -1.01 -5.05 107.32 100.80 1go0 s GLY 97 Ca 0.38 2.21 0.00 0.00 0.00 0.00 0.00 44.72 47.32 1go0 s GLY 97 CO 0.18 3.53 0.00 0.61 0.00 0.00 0.00 173.10 177.42 1go0 n GLY 98 N 5.44 -0.38 3.78 0.20 0.00 -1.25 -3.80 105.19 109.18 1go0 n GLY 98 Ca -0.03 0.53 -0.41 0.00 0.00 0.00 0.00 46.02 46.11 1go0 n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1go0 s LYS 99 N 0.00 4.10 0.00 1.61 -2.85 -1.26 -4.70 119.74 116.63 1go0 s LYS 99 Ca 0.00 2.55 0.00 0.00 -1.00 0.00 0.00 55.97 57.52 1go0 s LYS 99 Cb 0.00 -2.96 0.00 0.00 -2.06 0.00 0.00 37.83 32.81 1go0 s LYS 99 CO 0.00 -0.54 0.00 -1.91 0.10 0.00 0.00 175.35 173.00