#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1go0 s SER -1 N 0.00 7.36 0.51 1.61 0.15 -1.26 -4.92 113.70 117.14 1go0 s SER -1 Ca 0.00 1.81 0.26 0.00 0.70 0.00 0.00 55.95 58.72 1go0 s SER -1 Cb 0.00 -2.58 1.38 0.00 -1.71 0.00 0.00 66.02 63.11 1go0 s SER -1 CO 0.00 -0.22 2.05 0.58 1.20 0.00 0.00 173.24 176.85 1go0 h VAL 1 N 4.38 0.62 -4.83 4.45 2.07 -2.02 -3.47 116.25 117.45 1go0 h VAL 1 Ca -0.42 -0.58 -0.19 0.00 0.82 0.00 0.00 66.70 66.33 1go0 h VAL 1 Cb 1.22 1.37 0.15 0.00 -1.52 0.00 0.00 31.29 32.50 1go0 h VAL 1 CO 0.75 0.13 -0.64 -0.67 0.02 0.00 0.00 177.57 177.15 1go0 n ASP 2 N -3.69 -5.32 -1.77 0.57 2.03 -1.26 -4.84 116.55 102.28 1go0 n ASP 2 Ca -0.02 -0.53 -0.02 0.00 0.52 0.00 0.00 54.79 54.75 1go0 n ASP 2 Cb 0.25 -4.04 -0.02 0.00 -0.72 0.00 0.00 41.12 36.58 1go0 n ASP 2 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1go0 n PHE 3 N -2.83 0.00 0.00 -0.67 1.16 -1.26 -4.39 117.46 109.47 1go0 n PHE 3 Ca -0.06 -0.74 -0.12 0.00 -1.87 0.00 0.00 57.45 54.66 1go0 n PHE 3 Cb 0.59 -0.58 -0.07 0.00 -1.61 0.00 0.00 39.48 37.81 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 2.40 0.08 -0.67 1.98 0.00 -1.93 0.12 119.26 121.24 1go0 h ALA 4 Ca 0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1go0 h ALA 4 Cb 0.74 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1go0 h ALA 4 CO 0.07 -0.35 0.24 0.35 0.00 0.00 0.00 179.25 179.56 1go0 h PHE 5 N -0.04 1.05 0.15 0.00 3.57 -1.97 -1.71 116.94 117.98 1go0 h PHE 5 Ca 0.02 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1go0 h PHE 5 Cb 0.14 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.57 1go0 h PHE 5 CO -0.03 0.83 -0.07 0.93 -2.23 0.00 0.00 178.31 177.74 1go0 h GLU 6 N 0.96 -0.19 -0.64 1.11 4.39 -1.80 -1.35 114.58 117.06 1go0 h GLU 6 Ca 0.22 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.88 1go0 h GLU 6 Cb 0.24 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 1go0 h GLU 6 CO -0.01 -0.12 0.17 -0.07 -1.16 0.00 0.00 179.01 177.82 1go0 h LEU 7 N -0.20 0.95 -0.87 1.33 3.38 -0.66 -0.51 115.31 118.72 1go0 h LEU 7 Ca -0.02 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 1go0 h LEU 7 Cb 0.16 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1go0 h LEU 7 CO 0.03 0.92 -0.00 0.08 0.09 0.00 0.00 178.44 179.56 1go0 h ARG 8 N 0.93 0.84 -0.14 1.13 0.11 -1.15 0.11 114.38 116.21 1go0 h ARG 8 Ca 0.20 -0.23 -0.06 0.00 0.10 0.00 0.00 59.98 59.99 1go0 h ARG 8 Cb 0.33 -0.09 -0.00 0.00 1.11 0.00 0.00 29.97 31.32 1go0 h ARG 8 CO -0.00 0.84 -0.15 0.87 0.10 0.00 0.00 179.97 181.63 1go0 h LYS 9 N 0.78 0.34 -1.01 0.08 1.57 -1.09 -2.09 116.57 115.14 1go0 h LYS 9 Ca 0.15 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1go0 h LYS 9 Cb 0.47 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 1go0 h LYS 9 CO 0.02 0.74 0.67 0.00 -0.57 0.00 0.00 179.45 180.31 1go0 h ALA 10 N 0.60 1.30 -0.56 3.86 0.00 -0.89 -1.14 119.26 122.43 1go0 h ALA 10 Ca 0.02 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1go0 h ALA 10 Cb 0.68 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1go0 h ALA 10 CO 0.04 0.63 -0.06 0.37 0.00 0.00 0.00 179.25 180.22 1go0 h GLN 11 N 1.34 1.02 -0.01 0.00 -0.00 -0.76 0.11 115.11 116.81 1go0 h GLN 11 Ca 0.38 -0.35 -0.00 0.00 -0.00 0.00 0.00 58.65 58.68 1go0 h GLN 11 Cb -0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 27.48 27.30 1go0 h GLN 11 CO -0.10 1.04 -0.00 0.22 0.00 0.00 0.00 178.83 179.99 1go0 h ASP 12 N 0.92 0.01 -0.86 -0.69 1.82 -0.64 -3.35 116.42 113.63 1go0 h ASP 12 Ca 0.15 -0.36 -0.50 0.00 -0.39 0.00 0.00 57.03 55.93 1go0 h ASP 12 Cb 0.62 -0.00 -0.42 0.00 0.68 0.00 0.00 39.33 40.20 1go0 h ASP 12 CO 0.04 0.37 -0.86 1.07 -1.61 0.00 0.00 179.24 178.25 1go0 n THR 13 N -4.91 2.24 0.00 2.25 5.66 -0.50 -5.01 114.28 114.02 1go0 n THR 13 Ca -0.08 -4.11 0.00 0.00 -3.05 0.00 0.00 64.05 56.81 1go0 n THR 13 Cb 0.20 -0.72 0.00 0.00 -1.55 0.00 0.00 70.33 68.26 1go0 n THR 13 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1go0 n GLY 14 N -0.62 3.70 3.55 1.09 0.00 0.36 -3.89 105.19 109.38 1go0 n GLY 14 Ca 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 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 4.41 0.43 -0.10 1.61 2.20 -0.68 -4.87 119.74 122.74 1go0 s LYS 15 Ca 0.00 0.94 0.01 0.00 -0.36 0.00 0.00 55.97 56.55 1go0 s LYS 15 Cb 0.00 0.40 0.02 0.00 -1.51 0.00 0.00 37.83 36.74 1go0 s LYS 15 CO 0.00 -0.12 -0.10 0.42 -0.36 0.00 0.00 175.35 175.19 1go0 s ILE 16 N 2.15 1.11 -0.50 5.43 1.09 -1.26 -1.03 121.20 128.19 1go0 s ILE 16 Ca -0.06 -0.39 -0.20 0.00 -1.10 0.00 0.00 60.65 58.91 1go0 s ILE 16 Cb -0.07 -1.07 0.05 0.00 -1.06 0.00 0.00 42.46 40.31 1go0 s ILE 16 CO -0.17 0.37 0.64 -0.69 -0.10 0.00 0.00 174.94 174.99 1go0 s VAL 17 N 1.29 4.84 0.07 2.92 1.01 0.78 -4.89 120.40 126.42 1go0 s VAL 17 Ca -0.03 -0.36 -0.23 0.00 0.00 0.00 0.00 61.98 61.37 1go0 s VAL 17 Cb -0.14 -4.30 -0.06 0.00 0.00 0.00 0.00 36.38 31.88 1go0 s VAL 17 CO -0.04 -0.79 0.69 0.00 0.00 0.00 0.00 175.10 174.96 1go0 s MET 18 N 2.73 4.42 0.00 2.72 0.23 -1.26 -0.22 119.30 127.92 1go0 s MET 18 Ca 0.17 0.95 0.00 0.00 -1.03 0.00 0.00 55.69 55.78 1go0 s MET 18 Cb -0.18 -3.30 0.00 0.00 -1.53 0.00 0.00 34.83 29.82 1go0 s MET 18 CO 0.13 0.46 0.00 0.41 -2.03 0.00 0.00 175.02 173.99 1go0 n GLY 19 N 2.04 4.25 0.05 3.16 0.00 -0.43 -4.86 105.19 109.40 1go0 n GLY 19 Ca -0.06 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 -0.16 4.61 0.00 -1.95 -1.72 119.26 120.04 1go0 h ALA 20 Ca 0.00 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1go0 h ALA 20 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1go0 h ALA 20 CO 0.00 -0.30 -0.53 0.00 0.00 0.00 0.00 179.25 178.43 1go0 h ARG 21 N -0.39 0.47 -0.53 0.00 3.08 -1.95 -2.93 114.38 112.13 1go0 h ARG 21 Ca 0.00 -0.28 -0.06 0.00 0.07 0.00 0.00 59.98 59.71 1go0 h ARG 21 Cb 0.40 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1go0 h ARG 21 CO 0.00 0.88 0.10 0.87 -1.07 0.00 0.00 179.97 180.75 1go0 h LYS 22 N 0.36 0.83 -0.09 0.04 1.57 -1.88 -1.26 116.57 116.14 1go0 h LYS 22 Ca 0.01 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.48 1go0 h LYS 22 Cb 1.05 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 1go0 h LYS 22 CO 0.09 0.77 -0.50 0.66 -0.57 0.00 0.00 179.45 179.90 1go0 h SER 23 N 0.79 0.25 -0.16 0.86 4.64 -1.27 -1.42 113.55 117.25 1go0 h SER 23 Ca 0.17 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1go0 h SER 23 Cb 0.34 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1go0 h SER 23 CO 0.00 0.71 0.06 0.40 -0.87 0.00 0.00 176.83 177.13 1go0 h ILE 24 N 0.19 1.17 -0.53 0.95 2.04 -1.17 0.13 117.51 120.28 1go0 h ILE 24 Ca 0.01 -0.52 -0.12 0.00 1.00 0.00 0.00 64.86 65.23 1go0 h ILE 24 Cb 0.95 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 1go0 h ILE 24 CO 0.08 0.16 -0.13 0.06 0.00 0.00 0.00 178.15 178.32 1go0 h GLN 25 N 0.10 1.02 -0.53 2.37 3.07 -1.19 -0.75 115.11 119.21 1go0 h GLN 25 Ca 0.05 -0.39 -0.06 0.00 0.09 0.00 0.00 58.65 58.35 1go0 h GLN 25 Cb 0.20 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.67 1go0 h GLN 25 CO -0.00 1.07 0.09 1.88 0.09 0.00 0.00 178.83 181.97 1go0 h TYR 26 N 0.91 0.86 -0.60 0.06 -1.99 -1.12 0.60 116.97 115.68 1go0 h TYR 26 Ca 0.14 -0.09 -0.07 0.00 2.00 0.00 0.00 58.73 60.70 1go0 h TYR 26 Cb 0.70 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 39.16 1go0 h TYR 26 CO 0.05 0.74 0.08 0.00 -0.00 0.00 0.00 178.16 179.03 1go0 h ALA 27 N 1.31 0.79 -0.35 3.88 0.00 -0.42 0.29 119.26 124.78 1go0 h ALA 27 Ca 0.17 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1go0 h ALA 27 Cb 0.34 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1go0 h ALA 27 CO 0.00 0.56 0.07 -0.22 0.00 0.00 0.00 179.25 179.67 1go0 h LYS 28 N 0.90 0.56 -0.06 0.00 3.64 -0.56 -3.14 116.57 117.91 1go0 h LYS 28 Ca 0.18 -0.14 -0.17 0.00 -1.27 0.00 0.00 60.65 59.24 1go0 h LYS 28 Cb 0.45 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1go0 h LYS 28 CO 0.01 0.63 -0.72 0.52 -2.27 0.00 0.00 179.45 177.63 1go0 h MET 29 N 0.41 0.30 -1.22 1.90 2.86 -0.76 -3.47 114.93 114.95 1go0 h MET 29 Ca 0.11 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1go0 h MET 29 Cb 0.33 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1go0 h MET 29 CO 0.00 0.89 0.00 0.41 1.06 0.00 0.00 176.91 179.28 1go0 n GLY 30 N 0.52 0.70 2.60 8.32 0.00 0.98 -5.02 105.19 113.30 1go0 n GLY 30 Ca -0.03 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.61 5.01 3.47 -0.02 0.00 -0.88 -5.03 105.19 107.14 1go0 n GLY 31 Ca 0.00 -2.46 -0.14 0.00 0.00 0.00 0.00 46.02 43.42 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 -3.37 -1.44 -0.15 4.61 0.00 -1.26 -4.82 121.76 115.33 1go0 s ALA 32 Ca 0.44 1.47 -0.27 0.00 0.00 0.00 0.00 51.96 53.60 1go0 s ALA 32 Cb 0.38 -0.70 -0.24 0.00 0.00 0.00 0.00 23.12 22.55 1go0 s ALA 32 CO -0.13 -0.29 0.68 0.87 0.00 0.00 0.00 175.76 176.88 1go0 h LYS 33 N 4.72 0.00 -3.31 0.00 1.79 -1.12 -3.46 116.57 115.18 1go0 h LYS 33 Ca -0.28 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 57.89 1go0 h LYS 33 Cb 1.17 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 31.46 1go0 h LYS 33 CO 0.20 0.95 -0.68 -1.17 -1.08 0.00 0.00 179.45 177.67 1go0 s LEU 34 N -8.20 0.51 -0.20 2.94 2.96 -0.62 -4.23 118.68 111.84 1go0 s LEU 34 Ca -0.19 0.17 -0.08 0.00 -0.22 0.00 0.00 54.13 53.81 1go0 s LEU 34 Cb -0.02 0.09 -0.04 0.00 0.50 0.00 0.00 46.19 46.71 1go0 s LEU 34 CO 0.65 -0.19 0.09 -0.63 -1.32 0.00 0.00 176.35 174.95 1go0 s ILE 35 N 1.63 4.96 -0.15 6.68 1.01 -0.57 0.29 121.20 135.05 1go0 s ILE 35 Ca -0.03 0.03 -0.01 0.00 0.00 0.00 0.00 60.65 60.64 1go0 s ILE 35 Cb -0.12 -3.26 -0.01 0.00 0.01 0.00 0.00 42.46 39.08 1go0 s ILE 35 CO -0.04 0.43 -0.12 -0.63 0.00 0.00 0.00 174.94 174.58 1go0 s ILE 36 N 0.58 3.03 -0.06 2.92 1.01 0.60 -0.31 121.20 128.97 1go0 s ILE 36 Ca 0.05 -0.65 0.05 0.00 0.00 0.00 0.00 60.65 60.10 1go0 s ILE 36 Cb -0.13 -2.30 -0.00 0.00 0.01 0.00 0.00 42.46 40.04 1go0 s ILE 36 CO 0.01 0.50 -0.21 0.68 0.00 0.00 0.00 174.94 175.92 1go0 s VAL 37 N 0.69 1.76 0.06 2.92 -7.23 -0.27 -0.49 120.40 117.83 1go0 s VAL 37 Ca -0.06 -0.89 -0.31 0.00 -1.81 0.00 0.00 61.98 58.92 1go0 s VAL 37 Cb -0.15 -1.50 -0.08 0.00 0.56 0.00 0.00 36.38 35.20 1go0 s VAL 37 CO 0.02 0.49 1.68 0.00 -0.31 0.00 0.00 175.10 176.98 1go0 s ALA 38 N 0.04 3.68 0.50 1.32 0.00 -0.59 0.40 121.76 127.10 1go0 s ALA 38 Ca -0.07 1.20 0.24 0.00 0.00 0.00 0.00 51.96 53.33 1go0 s ALA 38 Cb -0.14 -3.71 1.45 0.00 0.00 0.00 0.00 23.12 20.72 1go0 s ALA 38 CO 0.04 -1.17 2.13 0.07 0.00 0.00 0.00 175.76 176.83 1go0 h ARG 39 N 8.60 0.00 0.00 0.00 0.11 -1.14 -0.54 114.38 121.40 1go0 h ARG 39 Ca -0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.65 1go0 h ARG 39 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 1go0 h ARG 39 CO 0.93 0.08 -0.11 -0.91 0.10 0.00 0.00 179.97 180.06 1go0 h ASN 40 N 0.00 0.00 -3.99 0.08 4.21 -1.80 -3.47 115.58 110.61 1go0 h ASN 40 Ca -0.00 -0.03 -0.49 0.00 1.21 0.00 0.00 56.30 56.99 1go0 h ASN 40 Cb 0.17 0.00 0.18 0.00 -1.12 0.00 0.00 38.32 37.55 1go0 h ASN 40 CO 0.01 0.01 0.19 0.00 -1.29 0.00 0.00 177.43 176.35 1go0 s ALA 41 N -3.13 1.09 -0.08 -0.83 0.00 -0.21 -4.85 121.76 113.75 1go0 s ALA 41 Ca 0.09 0.25 -0.38 0.00 0.00 0.00 0.00 51.96 51.92 1go0 s ALA 41 Cb 0.11 -3.33 -0.16 0.00 0.00 0.00 0.00 23.12 19.74 1go0 s ALA 41 CO 0.63 -2.84 1.54 0.54 0.00 0.00 0.00 175.76 175.63 1go0 n ARG 42 N -4.26 1.18 -0.33 0.00 5.12 -1.26 -4.85 116.66 112.27 1go0 n ARG 42 Ca 0.08 0.43 0.08 0.00 -1.93 0.00 0.00 57.85 56.52 1go0 n ARG 42 Cb 0.53 -2.10 0.28 0.00 -1.16 0.00 0.00 32.46 30.02 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 5.88 0.88 -0.54 5.56 0.11 -1.91 -1.77 132.00 140.20 1go0 h PRO 43 Ca -0.47 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 1go0 h PRO 43 Cb 1.33 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1go0 h PRO 43 CO 0.87 0.58 0.29 -0.44 -0.21 0.00 0.00 178.00 179.09 1go0 h ASP 44 N 0.91 0.68 -0.07 -2.05 3.32 -1.99 0.65 116.42 117.87 1go0 h ASP 44 Ca 0.47 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1go0 h ASP 44 Cb 0.52 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 1go0 h ASP 44 CO -0.23 0.58 0.05 0.40 -1.72 0.00 0.00 179.24 178.32 1go0 h ILE 45 N 0.72 1.03 -0.32 0.35 1.08 -1.71 -0.92 117.51 117.73 1go0 h ILE 45 Ca 0.19 -0.07 -0.01 0.00 -0.39 0.00 0.00 64.86 64.58 1go0 h ILE 45 Cb 0.06 0.95 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 1go0 h ILE 45 CO -0.03 0.03 0.17 0.11 -0.69 0.00 0.00 178.15 177.74 1go0 h LYS 46 N 0.08 0.46 -0.68 2.37 1.57 -1.21 -2.06 116.57 117.11 1go0 h LYS 46 Ca 0.03 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1go0 h LYS 46 Cb 0.00 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 1go0 h LYS 46 CO -0.01 0.40 0.43 1.49 -0.57 0.00 0.00 179.45 181.20 1go0 h GLU 47 N 0.40 0.83 0.01 3.15 4.57 -0.65 0.30 114.58 123.18 1go0 h GLU 47 Ca 0.11 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1go0 h GLU 47 Cb 0.09 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 1go0 h GLU 47 CO -0.02 0.55 -0.00 -0.44 -1.18 0.00 0.00 179.01 177.92 1go0 h ASP 48 N 0.85 -0.01 0.09 1.04 5.19 -0.99 0.35 116.42 122.94 1go0 h ASP 48 Ca 0.26 -0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.63 1go0 h ASP 48 Cb -0.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.50 1go0 h ASP 48 CO -0.09 0.04 -0.04 0.40 -3.12 0.00 0.00 179.24 176.42 1go0 h ILE 49 N -0.05 0.99 -0.66 0.35 2.04 -0.92 -0.22 117.51 119.04 1go0 h ILE 49 Ca -0.00 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 1go0 h ILE 49 Cb 0.05 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1go0 h ILE 49 CO 0.00 0.07 0.40 -0.33 0.00 0.00 0.00 178.15 178.28 1go0 h GLU 50 N -0.24 0.89 -0.03 2.37 5.08 -0.35 0.90 114.58 123.21 1go0 h GLU 50 Ca -0.01 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1go0 h GLU 50 Cb 0.20 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1go0 h GLU 50 CO 0.02 0.64 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.75 1go0 h TYR 51 N 0.89 0.05 -0.32 4.33 3.20 -0.85 -0.00 116.97 124.27 1go0 h TYR 51 Ca 0.24 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 1go0 h TYR 51 Cb -0.03 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 1go0 h TYR 51 CO -0.02 0.36 0.19 1.88 -1.64 0.00 0.00 178.16 178.93 1go0 h TYR 52 N -0.27 0.42 -0.57 -3.82 -1.99 -0.89 -2.22 116.97 107.63 1go0 h TYR 52 Ca 0.01 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.68 1go0 h TYR 52 Cb 0.34 -0.14 -0.03 0.00 2.00 0.00 0.00 36.73 38.90 1go0 h TYR 52 CO 0.04 0.30 0.14 0.00 -0.00 0.00 0.00 178.16 178.64 1go0 h ALA 53 N 1.08 1.17 -0.84 3.88 0.00 -0.82 -2.35 119.26 121.38 1go0 h ALA 53 Ca 0.11 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1go0 h ALA 53 Cb 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1go0 h ALA 53 CO -0.02 0.57 0.55 -0.09 0.00 0.00 0.00 179.25 180.25 1go0 h ARG 54 N 0.85 1.07 -0.43 0.00 9.65 -0.54 0.65 114.38 125.63 1go0 h ARG 54 Ca 0.19 -0.06 -0.07 0.00 -1.10 0.00 0.00 59.98 58.93 1go0 h ARG 54 Cb 0.31 -0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 28.63 1go0 h ARG 54 CO -0.00 0.71 -0.02 -0.07 2.80 0.00 0.00 179.97 183.39 1go0 h LEU 55 N 1.11 0.77 -0.14 3.80 3.38 -1.04 -3.18 115.31 120.00 1go0 h LEU 55 Ca 0.32 -0.32 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 1go0 h LEU 55 Cb -0.08 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.47 1go0 h LEU 55 CO -0.08 0.90 -0.95 -1.28 0.09 0.00 0.00 178.44 177.12 1go0 h SER 56 N 0.61 0.65 0.00 -0.43 0.87 -1.05 -3.48 113.55 110.72 1go0 h SER 56 Ca 0.12 -0.51 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1go0 h SER 56 Cb 0.52 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1go0 h SER 56 CO 0.03 1.30 0.00 0.61 -0.53 0.00 0.00 176.83 178.24 1go0 n GLY 57 N 0.95 1.26 3.34 5.77 0.00 0.19 -5.00 105.19 111.70 1go0 n GLY 57 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 3.15 0.18 -0.61 1.01 0.95 -5.01 121.20 118.88 1go0 s ILE 58 Ca 0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 60.65 59.75 1go0 s ILE 58 Cb 0.00 -2.37 -0.09 0.00 0.01 0.00 0.00 42.46 40.02 1go0 s ILE 58 CO 0.00 0.49 1.32 -2.84 0.00 0.00 0.00 174.94 173.91 1go0 s PRO 59 N 0.80 4.38 -0.15 2.79 0.02 -1.26 -4.13 135.00 137.45 1go0 s PRO 59 Ca -0.04 2.06 0.01 0.00 0.02 0.00 0.00 61.00 63.05 1go0 s PRO 59 Cb -0.15 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.17 1go0 s PRO 59 CO 0.01 -0.28 -0.18 0.08 -0.33 0.00 0.00 177.00 176.29 1go0 s VAL 60 N 0.29 2.37 -0.18 3.83 1.01 -1.26 -1.51 120.40 124.95 1go0 s VAL 60 Ca 0.58 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 1go0 s VAL 60 Cb -0.36 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1go0 s VAL 60 CO 0.37 0.53 0.03 -0.47 0.00 0.00 0.00 175.10 175.56 1go0 s TYR 61 N 0.84 3.18 -0.43 5.22 5.04 0.58 -2.43 117.35 129.35 1go0 s TYR 61 Ca -0.06 -0.06 -0.27 0.00 -2.44 0.00 0.00 57.07 54.25 1go0 s TYR 61 Cb -0.15 -2.05 0.02 0.00 0.35 0.00 0.00 41.96 40.13 1go0 s TYR 61 CO -0.01 0.08 0.99 -1.21 -1.34 0.00 0.00 175.55 174.05 1go0 s GLU 62 N 0.43 3.71 0.10 4.97 2.02 -1.26 -1.12 118.70 127.54 1go0 s GLU 62 Ca 0.01 0.45 -0.31 0.00 0.02 0.00 0.00 54.97 55.14 1go0 s GLU 62 Cb -0.13 -3.87 -0.09 0.00 0.10 0.00 0.00 34.13 30.14 1go0 s GLU 62 CO 0.01 -1.16 1.67 0.12 0.02 0.00 0.00 175.26 175.92 1go0 s PHE 63 N 3.85 2.49 -1.31 1.61 5.36 0.16 -4.76 117.98 125.39 1go0 s PHE 63 Ca 0.41 0.31 -0.09 0.00 -0.96 0.00 0.00 56.93 56.59 1go0 s PHE 63 Cb -0.10 -4.00 -0.07 0.00 -0.34 0.00 0.00 43.02 38.51 1go0 s PHE 63 CO 0.25 -3.99 2.54 0.39 -1.46 0.00 0.00 175.22 172.95 1go0 n GLU 64 N 5.30 2.93 -3.56 10.12 1.02 -1.26 -1.32 120.64 133.87 1go0 n GLU 64 Ca 0.16 -1.94 -0.07 0.00 -0.02 0.00 0.00 57.16 55.29 1go0 n GLU 64 Cb 0.40 -2.72 -0.03 0.00 -0.02 0.00 0.00 31.44 29.07 1go0 n GLU 64 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1go0 s GLY 65 N 2.86 -0.33 0.86 0.62 0.00 -1.26 -5.01 107.32 105.06 1go0 s GLY 65 Ca 0.56 1.53 -0.13 0.00 0.00 0.00 0.00 44.72 46.68 1go0 s GLY 65 CO -0.04 0.57 1.23 -1.08 0.00 0.00 0.00 173.10 173.78 1go0 s THR 66 N -2.39 2.00 0.35 0.90 -1.32 -1.26 -3.12 115.64 110.80 1go0 s THR 66 Ca 0.06 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.59 1go0 s THR 66 Cb -0.01 -3.00 0.29 0.00 -1.51 0.00 0.00 72.50 68.27 1go0 s THR 66 CO -0.05 0.00 1.95 -1.28 -2.21 0.00 0.00 174.62 173.03 1go0 h SER 67 N -1.27 0.69 -0.18 8.08 0.87 -1.90 -1.04 113.55 118.80 1go0 h SER 67 Ca -0.45 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.09 1go0 h SER 67 Cb 1.30 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.10 1go0 h SER 67 CO 0.56 0.45 0.05 0.58 -0.53 0.00 0.00 176.83 177.94 1go0 h VAL 68 N 0.79 1.19 -0.59 2.23 2.07 -1.93 0.25 116.25 120.26 1go0 h VAL 68 Ca 0.33 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1go0 h VAL 68 Cb 0.26 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1go0 h VAL 68 CO -0.11 0.19 0.32 -0.33 0.02 0.00 0.00 177.57 177.66 1go0 h GLU 69 N 0.12 0.83 -0.39 1.57 4.39 -1.72 0.51 114.58 119.90 1go0 h GLU 69 Ca 0.06 -0.10 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 1go0 h GLU 69 Cb 0.24 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1go0 h GLU 69 CO -0.00 0.64 -0.09 1.25 -1.16 0.00 0.00 179.01 179.65 1go0 h LEU 70 N 0.80 0.65 -0.52 1.33 5.85 -1.14 0.15 115.31 122.43 1go0 h LEU 70 Ca 0.21 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1go0 h LEU 70 Cb 0.05 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1go0 h LEU 70 CO -0.03 0.78 0.27 1.23 -0.34 0.00 0.00 178.44 180.35 1go0 h GLY 71 N 0.96 0.78 0.99 3.75 0.00 -0.18 0.24 103.07 109.61 1go0 h GLY 71 Ca 0.11 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 1go0 h GLY 71 CO 0.03 0.35 0.07 -0.84 0.00 0.00 0.00 176.54 176.15 1go0 h THR 72 N 0.69 1.25 -0.14 4.70 2.02 -0.49 0.13 112.91 121.07 1go0 h THR 72 Ca 0.18 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.40 1go0 h THR 72 Cb 0.07 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1go0 h THR 72 CO -0.03 0.34 0.07 0.25 0.37 0.00 0.00 175.52 176.53 1go0 h LEU 73 N 0.72 0.18 -0.88 2.58 7.12 -0.32 -2.92 115.31 121.78 1go0 h LEU 73 Ca 0.15 -0.09 -0.11 0.00 0.13 0.00 0.00 57.88 57.95 1go0 h LEU 73 Cb 0.42 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.49 1go0 h LEU 73 CO 0.01 0.22 -0.44 0.25 -0.13 0.00 0.00 178.44 178.35 1go0 h LEU 74 N 0.12 0.27 -0.76 2.25 5.85 -0.45 -3.45 115.31 119.14 1go0 h LEU 74 Ca 0.05 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1go0 h LEU 74 Cb 0.08 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1go0 h LEU 74 CO -0.01 0.68 0.00 0.61 -0.34 0.00 0.00 178.44 179.39 1go0 n GLY 75 N -0.10 0.75 2.92 3.75 0.00 -0.07 -4.96 105.19 107.49 1go0 n GLY 75 Ca -0.02 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.61 0.08 0.00 1.61 3.52 -0.60 -5.03 118.95 116.92 1go0 s ARG 76 Ca 0.00 0.20 -0.01 0.00 -0.13 0.00 0.00 55.73 55.79 1go0 s ARG 76 Cb 0.00 -0.06 -0.06 0.00 -1.56 0.00 0.00 34.95 33.28 1go0 s ARG 76 CO 0.00 -0.08 2.22 -0.35 -0.81 0.00 0.00 175.30 176.29 1go0 n PRO 77 N 3.53 1.15 -3.66 5.12 -0.04 -1.26 -4.45 135.00 135.39 1go0 n PRO 77 Ca -0.18 -0.21 -0.08 0.00 -0.04 0.00 0.00 63.50 62.98 1go0 n PRO 77 Cb 0.56 -1.24 -0.08 0.00 -0.04 0.00 0.00 33.50 32.70 1go0 n PRO 77 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1go0 s HIS 78 N 0.35 -0.93 -0.07 0.54 3.76 -1.26 -5.13 115.29 112.56 1go0 s HIS 78 Ca 0.14 1.90 -0.35 0.00 -0.15 0.00 0.00 55.06 56.59 1go0 s HIS 78 Cb 0.07 0.52 -0.13 0.00 1.11 0.00 0.00 32.58 34.15 1go0 s HIS 78 CO 0.00 -0.47 1.76 0.25 -0.85 0.00 0.00 174.74 175.43 1go0 n THR 79 N 4.22 0.38 -3.24 1.30 -2.24 -1.26 -4.66 114.28 108.77 1go0 n THR 79 Ca -0.21 -0.07 -0.40 0.00 -2.27 0.00 0.00 64.05 61.11 1go0 n THR 79 Cb 0.58 -1.62 -0.08 0.00 -2.10 0.00 0.00 70.33 67.11 1go0 n THR 79 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1go0 s VAL 80 N 3.15 5.07 -0.00 2.28 1.01 -0.85 -4.93 120.40 126.12 1go0 s VAL 80 Ca 0.91 0.81 -0.15 0.00 0.00 0.00 0.00 61.98 63.55 1go0 s VAL 80 Cb -0.78 -3.83 -0.34 0.00 0.00 0.00 0.00 36.38 31.43 1go0 s VAL 80 CO 0.51 0.06 0.88 0.28 0.00 0.00 0.00 175.10 176.83 1go0 h SER 81 N 8.07 0.75 -4.87 3.32 0.02 -1.92 -3.39 113.55 115.52 1go0 h SER 81 Ca -0.29 -0.93 -0.03 0.00 -0.84 0.00 0.00 61.79 59.71 1go0 h SER 81 Cb 1.14 -0.24 -0.18 0.00 0.14 0.00 0.00 62.40 63.26 1go0 h SER 81 CO 0.72 1.72 0.25 0.00 -1.14 0.00 0.00 176.83 178.38 1go0 s ALA 82 N -2.58 -1.76 -0.06 3.77 0.00 -1.26 -1.54 121.76 118.33 1go0 s ALA 82 Ca -0.12 1.19 -0.05 0.00 0.00 0.00 0.00 51.96 52.98 1go0 s ALA 82 Cb 0.04 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.27 1go0 s ALA 82 CO 0.91 -0.45 0.17 -0.48 0.00 0.00 0.00 175.76 175.90 1go0 s LEU 83 N -1.52 1.28 -0.32 0.00 0.05 0.35 -1.31 118.68 117.21 1go0 s LEU 83 Ca -0.07 0.34 -0.09 0.00 0.05 0.00 0.00 54.13 54.36 1go0 s LEU 83 Cb -0.00 0.56 0.01 0.00 -2.05 0.00 0.00 46.19 44.70 1go0 s LEU 83 CO 0.04 -0.07 0.13 0.00 -0.55 0.00 0.00 176.35 175.90 1go0 s ALA 84 N 0.22 3.19 -0.60 1.48 0.00 0.70 -0.29 121.76 126.45 1go0 s ALA 84 Ca -0.01 -1.48 -0.28 0.00 0.00 0.00 0.00 51.96 50.19 1go0 s ALA 84 Cb -0.02 -2.32 0.03 0.00 0.00 0.00 0.00 23.12 20.81 1go0 s ALA 84 CO -0.01 -1.00 1.21 0.08 0.00 0.00 0.00 175.76 176.05 1go0 s VAL 85 N 1.55 3.97 -0.17 0.00 1.01 0.14 -0.16 120.40 126.74 1go0 s VAL 85 Ca 0.03 0.83 -0.15 0.00 0.00 0.00 0.00 61.98 62.69 1go0 s VAL 85 Cb -0.17 -4.75 -0.22 0.00 0.00 0.00 0.00 36.38 31.24 1go0 s VAL 85 CO 0.05 -1.41 0.28 0.52 0.00 0.00 0.00 175.10 174.53 1go0 n VAL 86 N 6.64 1.64 -4.03 2.92 0.31 -0.26 -0.80 118.33 124.75 1go0 n VAL 86 Ca 0.08 -0.29 -0.31 0.00 -0.01 0.00 0.00 64.34 63.80 1go0 n VAL 86 Cb 0.49 -1.92 -0.15 0.00 -0.91 0.00 0.00 33.84 31.35 1go0 n VAL 86 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1go0 s ASP 87 N -6.95 4.29 -0.26 4.52 -1.08 -0.20 -4.09 116.67 112.90 1go0 s ASP 87 Ca -0.26 -1.38 -0.04 0.00 -0.52 0.00 0.00 52.55 50.34 1go0 s ASP 87 Cb 0.06 -1.44 -0.05 0.00 -1.46 0.00 0.00 42.92 40.04 1go0 s ASP 87 CO 0.67 -0.22 2.98 -0.81 0.52 0.00 0.00 175.17 178.31 1go0 n PRO 88 N 4.49 2.14 -1.80 4.34 -0.05 -1.26 -1.69 135.00 141.18 1go0 n PRO 88 Ca -0.12 -1.68 -0.42 0.00 -0.05 0.00 0.00 63.50 61.23 1go0 n PRO 88 Cb 0.43 -1.99 -0.03 0.00 -0.05 0.00 0.00 33.50 31.86 1go0 n PRO 88 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 175.50 175.65 1go0 s GLY 89 N 1.01 1.46 -1.42 0.55 0.00 -1.25 -3.17 107.32 104.50 1go0 s GLY 89 Ca 0.57 1.28 -0.03 0.00 0.00 0.00 0.00 44.72 46.53 1go0 s GLY 89 CO -0.11 3.17 0.59 -2.21 0.00 0.00 0.00 173.10 174.54 1go0 n GLU 90 N 6.45 -3.98 -3.76 2.90 2.13 -1.26 -3.83 120.64 119.29 1go0 n GLU 90 Ca 0.18 0.48 -0.13 0.00 0.66 0.00 0.00 57.16 58.35 1go0 n GLU 90 Cb 0.40 -4.87 -0.09 0.00 0.27 0.00 0.00 31.44 27.15 1go0 n GLU 90 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1go0 s SER 91 N -4.15 -0.23 -0.60 4.31 1.04 -1.19 -4.50 113.70 108.38 1go0 s SER 91 Ca 0.15 0.24 -0.02 0.00 0.48 0.00 0.00 55.95 56.79 1go0 s SER 91 Cb -0.08 0.41 0.38 0.00 0.10 0.00 0.00 66.02 66.83 1go0 s SER 91 CO 0.86 -0.37 2.06 0.54 0.98 0.00 0.00 173.24 177.31 1go0 n ARG 92 N 1.67 2.48 0.16 4.02 1.74 -1.26 -4.53 116.66 120.94 1go0 n ARG 92 Ca -0.19 -2.88 0.01 0.00 -0.77 0.00 0.00 57.85 54.01 1go0 n ARG 92 Cb 0.56 -2.13 0.26 0.00 -1.02 0.00 0.00 32.46 30.13 1go0 n ARG 92 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1go0 h ILE 93 N 1.11 1.34 0.00 0.55 6.09 -1.91 -2.50 117.51 122.20 1go0 h ILE 93 Ca 0.53 -1.74 0.00 0.00 -1.37 0.00 0.00 64.86 62.27 1go0 h ILE 93 Cb 0.77 1.95 0.00 0.00 0.47 0.00 0.00 36.82 40.00 1go0 h ILE 93 CO 1.37 0.49 0.00 0.18 -3.07 0.00 0.00 178.15 177.13 1go0 n LEU 94 N -3.91 0.00 -0.23 2.19 4.77 -1.26 -2.94 117.00 115.62 1go0 n LEU 94 Ca -0.01 0.19 -0.05 0.00 -0.03 0.00 0.00 56.01 56.11 1go0 n LEU 94 Cb 0.52 -0.19 0.11 0.00 -2.33 0.00 0.00 43.42 41.54 1go0 n LEU 94 CO 0.40 -0.07 1.02 0.00 -1.33 0.00 0.00 177.39 177.42 1go0 h ALA 95 N 3.04 1.11 -0.03 -1.18 0.00 -1.81 -2.22 119.26 118.17 1go0 h ALA 95 Ca 0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1go0 h ALA 95 Cb 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1go0 h ALA 95 CO 0.00 0.62 -0.43 -0.07 0.00 0.00 0.00 179.25 179.38 1go0 h LEU 96 N 1.03 0.07 0.00 0.00 4.07 -1.75 -3.46 115.31 115.28 1go0 h LEU 96 Ca 0.23 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1go0 h LEU 96 Cb 0.25 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.97 1go0 h LEU 96 CO -0.01 0.49 0.00 0.61 -1.08 0.00 0.00 178.44 178.45 1go0 n GLY 97 N -0.26 1.70 0.00 0.83 0.00 -0.84 -4.81 105.19 101.82 1go0 n GLY 97 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1go0 n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1go0 n GLY 98 N 0.00 -0.54 0.09 -0.02 0.00 -1.26 -4.73 105.19 98.73 1go0 n GLY 98 Ca 0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 1go0 n GLY 98 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1go0 h LYS 99 N 0.00 0.15 0.00 1.61 3.64 -1.79 -3.43 116.57 116.75 1go0 h LYS 99 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1go0 h LYS 99 Cb 0.00 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1go0 h LYS 99 CO 0.00 0.49 0.00 -0.85 -2.27 0.00 0.00 179.45 176.82