#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 -0.74 -0.45 1.61 1.04 -1.26 -5.06 113.70 108.84 1go0 s SER -1 Ca 0.00 1.43 0.03 0.00 0.48 0.00 0.00 55.95 57.89 1go0 s SER -1 Cb 0.00 1.44 0.45 0.00 0.10 0.00 0.00 66.02 68.01 1go0 s SER -1 CO 0.00 -0.25 1.53 0.52 0.98 0.00 0.00 173.24 176.02 1go0 n VAL 1 N 2.72 2.97 0.02 5.02 0.31 -1.26 -4.64 118.33 123.47 1go0 n VAL 1 Ca -0.14 -3.77 -0.21 0.00 -0.01 0.00 0.00 64.34 60.21 1go0 n VAL 1 Cb 0.55 -1.16 -0.14 0.00 -0.91 0.00 0.00 33.84 32.19 1go0 n VAL 1 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1go0 h ASP 2 N 2.15 0.40 0.00 4.52 3.58 -2.00 -3.47 116.42 121.60 1go0 h ASP 2 Ca 0.46 -0.88 0.00 0.00 0.42 0.00 0.00 57.03 57.04 1go0 h ASP 2 Cb 1.20 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.12 1go0 h ASP 2 CO 1.10 1.54 0.00 0.33 -2.88 0.00 0.00 179.24 179.33 1go0 n PHE 3 N -4.00 0.00 0.05 0.28 7.35 -1.26 -4.58 117.46 115.30 1go0 n PHE 3 Ca -0.22 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.35 1go0 n PHE 3 Cb 0.87 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.63 1go0 n PHE 3 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1go0 h ALA 4 N 0.00 -0.05 -0.23 3.13 0.00 -1.98 0.47 119.26 120.60 1go0 h ALA 4 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1go0 h ALA 4 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1go0 h ALA 4 CO 0.00 -0.51 0.05 0.35 0.00 0.00 0.00 179.25 179.14 1go0 h PHE 5 N -0.07 0.40 -0.84 0.00 3.57 -1.99 -1.48 116.94 116.52 1go0 h PHE 5 Ca -0.00 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.41 1go0 h PHE 5 Cb 0.06 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 1go0 h PHE 5 CO -0.07 0.49 0.41 0.93 -2.23 0.00 0.00 178.31 177.83 1go0 h GLU 6 N 0.19 1.21 -0.20 1.11 5.08 -1.88 0.20 114.58 120.29 1go0 h GLU 6 Ca 0.07 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1go0 h GLU 6 Cb 0.30 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1go0 h GLU 6 CO 0.00 0.93 0.04 1.25 -1.00 0.00 0.00 179.01 180.23 1go0 h LEU 7 N 1.20 0.30 -0.83 1.33 5.85 0.08 0.15 115.31 123.39 1go0 h LEU 7 Ca 0.29 -0.24 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 1go0 h LEU 7 Cb 0.12 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1go0 h LEU 7 CO -0.04 0.47 -0.19 0.03 -0.34 0.00 0.00 178.44 178.37 1go0 h ARG 8 N 0.13 0.67 -0.52 1.25 3.08 -1.00 -0.75 114.38 117.23 1go0 h ARG 8 Ca 0.06 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 1go0 h ARG 8 Cb 0.29 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1go0 h ARG 8 CO 0.00 0.81 0.28 0.87 -1.07 0.00 0.00 179.97 180.86 1go0 h LYS 9 N 0.59 0.73 -0.63 0.04 1.79 -0.44 0.12 116.57 118.78 1go0 h LYS 9 Ca 0.09 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1go0 h LYS 9 Cb 0.65 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 31.13 1go0 h LYS 9 CO 0.05 0.58 0.30 0.00 -1.08 0.00 0.00 179.45 179.29 1go0 h ALA 10 N 1.12 0.82 -0.06 3.86 0.00 -0.54 -1.16 119.26 123.28 1go0 h ALA 10 Ca 0.18 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1go0 h ALA 10 Cb 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1go0 h ALA 10 CO -0.03 0.39 -0.12 0.37 0.00 0.00 0.00 179.25 179.86 1go0 h GLN 11 N 0.87 0.20 -0.00 0.00 4.15 -0.84 0.98 115.11 120.48 1go0 h GLN 11 Ca 0.22 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 1go0 h GLN 11 Cb 0.13 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.83 1go0 h GLN 11 CO -0.03 0.70 -0.00 0.22 -1.93 0.00 0.00 178.83 177.79 1go0 h ASP 12 N -0.29 0.00 0.09 -0.69 3.58 -0.74 -3.38 116.42 115.00 1go0 h ASP 12 Ca 0.00 -0.71 -0.20 0.00 0.42 0.00 0.00 57.03 56.54 1go0 h ASP 12 Cb 0.69 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.74 1go0 h ASP 12 CO 0.03 0.71 -1.02 0.74 -2.88 0.00 0.00 179.24 176.82 1go0 h THR 13 N -0.70 1.26 0.00 2.25 2.02 -1.38 -3.47 112.91 112.89 1go0 h THR 13 Ca -0.00 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 64.78 1go0 h THR 13 Cb 0.71 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 70.00 1go0 h THR 13 CO 0.00 0.64 0.00 0.61 0.37 0.00 0.00 175.52 177.14 1go0 n GLY 14 N 1.66 0.65 3.64 2.16 0.00 -0.67 -5.06 105.19 107.56 1go0 n GLY 14 Ca -0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 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 1.58 0.64 -0.13 1.61 2.20 0.25 -4.80 119.74 121.10 1go0 s LYS 15 Ca 0.00 0.91 0.00 0.00 -0.36 0.00 0.00 55.97 56.52 1go0 s LYS 15 Cb 0.00 0.23 0.02 0.00 -1.51 0.00 0.00 37.83 36.58 1go0 s LYS 15 CO 0.00 -0.10 -0.11 0.42 -0.36 0.00 0.00 175.35 175.20 1go0 s ILE 16 N 0.87 1.31 -0.53 5.43 1.01 -1.26 -0.53 121.20 127.50 1go0 s ILE 16 Ca -0.04 -0.47 -0.24 0.00 0.00 0.00 0.00 60.65 59.90 1go0 s ILE 16 Cb -0.05 -1.26 0.04 0.00 0.01 0.00 0.00 42.46 41.20 1go0 s ILE 16 CO -0.09 0.41 0.93 -0.69 0.00 0.00 0.00 174.94 175.50 1go0 s VAL 17 N 1.54 4.41 -0.04 2.92 1.01 0.70 -4.88 120.40 126.06 1go0 s VAL 17 Ca 0.04 0.35 -0.26 0.00 0.00 0.00 0.00 61.98 62.11 1go0 s VAL 17 Cb -0.13 -4.52 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 1go0 s VAL 17 CO -0.09 -1.06 0.80 0.00 0.00 0.00 0.00 175.10 174.76 1go0 s MET 18 N 3.90 4.49 0.00 2.72 0.23 -1.26 -0.53 119.30 128.84 1go0 s MET 18 Ca 0.31 1.08 0.00 0.00 -1.03 0.00 0.00 55.69 56.06 1go0 s MET 18 Cb -0.12 -3.45 0.00 0.00 -1.53 0.00 0.00 34.83 29.73 1go0 s MET 18 CO 0.20 0.03 0.00 0.41 -2.03 0.00 0.00 175.02 173.64 1go0 n GLY 19 N 3.00 3.87 0.28 3.16 0.00 0.10 -4.89 105.19 110.70 1go0 n GLY 19 Ca 0.01 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.64 -0.33 4.61 0.00 -1.93 0.73 119.26 121.70 1go0 h ALA 20 Ca 0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1go0 h ALA 20 Cb 0.00 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1go0 h ALA 20 CO 0.00 -0.71 -0.15 -0.09 0.00 0.00 0.00 179.25 178.30 1go0 h ARG 21 N -0.95 0.59 -0.75 0.00 2.43 -1.96 -2.06 114.38 111.68 1go0 h ARG 21 Ca -0.07 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 58.87 1go0 h ARG 21 Cb 0.59 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 1go0 h ARG 21 CO 0.11 0.72 0.29 0.87 -1.51 0.00 0.00 179.97 180.45 1go0 h LYS 22 N 0.54 1.11 -0.52 0.20 1.57 -1.89 -1.13 116.57 116.45 1go0 h LYS 22 Ca 0.09 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 1go0 h LYS 22 Cb 0.57 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1go0 h LYS 22 CO 0.04 0.91 0.08 1.03 -0.57 0.00 0.00 179.45 180.94 1go0 h SER 23 N 1.09 0.83 -0.79 0.86 0.87 -0.40 -1.85 113.55 114.16 1go0 h SER 23 Ca 0.25 -0.26 0.02 0.00 -1.23 0.00 0.00 61.79 60.56 1go0 h SER 23 Cb 0.22 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 1go0 h SER 23 CO -0.02 0.88 0.52 0.40 -0.53 0.00 0.00 176.83 178.08 1go0 h ILE 24 N 0.74 1.17 -0.32 2.23 2.04 -0.96 0.22 117.51 122.64 1go0 h ILE 24 Ca 0.16 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.67 1go0 h ILE 24 Cb 0.40 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1go0 h ILE 24 CO 0.01 0.19 0.20 -0.61 0.00 0.00 0.00 178.15 177.94 1go0 h GLN 25 N 1.04 0.39 -0.40 2.37 4.15 -0.91 0.51 115.11 122.26 1go0 h GLN 25 Ca 0.30 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.61 1go0 h GLN 25 Cb -0.08 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 1go0 h GLN 25 CO -0.08 0.26 -0.10 1.88 -1.93 0.00 0.00 178.83 178.86 1go0 h TYR 26 N 0.40 0.77 -0.33 3.99 -1.99 -0.76 -1.57 116.97 117.48 1go0 h TYR 26 Ca 0.13 -0.13 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 1go0 h TYR 26 Cb -0.01 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 38.50 1go0 h TYR 26 CO -0.07 0.78 0.10 0.00 -0.00 0.00 0.00 178.16 178.97 1go0 h ALA 27 N 1.24 0.43 -0.42 3.88 0.00 0.06 0.29 119.26 124.74 1go0 h ALA 27 Ca 0.11 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1go0 h ALA 27 Cb 0.55 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1go0 h ALA 27 CO 0.03 0.06 -0.02 0.87 0.00 0.00 0.00 179.25 180.20 1go0 h LYS 28 N 0.37 0.76 -0.27 0.00 1.57 -0.77 -3.05 116.57 115.18 1go0 h LYS 28 Ca 0.11 -0.25 -0.13 0.00 -1.87 0.00 0.00 60.65 58.51 1go0 h LYS 28 Cb 0.25 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1go0 h LYS 28 CO -0.00 0.84 -0.36 0.52 -0.57 0.00 0.00 179.45 179.88 1go0 h MET 29 N 0.59 0.62 -0.85 3.15 2.86 -1.20 -3.48 114.93 116.62 1go0 h MET 29 Ca 0.12 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1go0 h MET 29 Cb 0.51 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1go0 h MET 29 CO 0.03 0.88 0.00 0.41 1.06 0.00 0.00 176.91 179.29 1go0 n GLY 30 N -0.07 0.67 1.81 8.32 0.00 0.88 -5.02 105.19 111.78 1go0 n GLY 30 Ca -0.01 -0.30 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 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 3.88 2.88 -0.02 0.00 -0.34 -5.03 105.19 106.14 1go0 n GLY 31 Ca 0.00 -1.59 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.89 -0.11 -0.15 4.61 0.00 -1.26 -4.81 121.76 117.15 1go0 s ALA 32 Ca 0.39 0.33 -0.09 0.00 0.00 0.00 0.00 51.96 52.59 1go0 s ALA 32 Cb 0.37 -0.23 -0.24 0.00 0.00 0.00 0.00 23.12 23.02 1go0 s ALA 32 CO -0.05 -0.08 0.29 1.63 0.00 0.00 0.00 175.76 177.55 1go0 n LYS 33 N 3.66 0.72 -3.70 0.00 4.76 0.19 -4.89 118.16 118.90 1go0 n LYS 33 Ca -0.20 0.30 -0.22 0.00 -2.87 0.00 0.00 58.31 55.33 1go0 n LYS 33 Cb 0.55 -1.70 -0.18 0.00 -1.84 0.00 0.00 35.03 31.86 1go0 n LYS 33 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1go0 s LEU 34 N -7.15 0.34 -0.17 -0.35 1.98 -0.70 -4.11 118.68 108.52 1go0 s LEU 34 Ca -0.25 -0.07 -0.08 0.00 -2.89 0.00 0.00 54.13 50.84 1go0 s LEU 34 Cb 0.07 -0.27 -0.04 0.00 0.66 0.00 0.00 46.19 46.61 1go0 s LEU 34 CO 0.72 -0.24 0.10 -0.63 -1.89 0.00 0.00 176.35 174.42 1go0 s ILE 35 N 2.09 5.18 -0.09 6.68 1.01 -0.61 0.37 121.20 135.84 1go0 s ILE 35 Ca 0.05 0.10 0.04 0.00 0.00 0.00 0.00 60.65 60.84 1go0 s ILE 35 Cb -0.13 -3.32 -0.00 0.00 0.01 0.00 0.00 42.46 39.02 1go0 s ILE 35 CO -0.04 0.49 -0.23 -0.63 0.00 0.00 0.00 174.94 174.53 1go0 s ILE 36 N -0.00 1.96 -0.05 2.92 1.01 0.54 0.09 121.20 127.67 1go0 s ILE 36 Ca 0.08 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.80 1go0 s ILE 36 Cb -0.12 -1.69 -0.00 0.00 0.01 0.00 0.00 42.46 40.66 1go0 s ILE 36 CO 0.00 0.54 -0.18 0.68 0.00 0.00 0.00 174.94 175.98 1go0 s VAL 37 N 0.27 1.55 0.23 2.92 -7.23 -0.42 -0.95 120.40 116.77 1go0 s VAL 37 Ca -0.15 -0.77 -0.30 0.00 -1.81 0.00 0.00 61.98 58.95 1go0 s VAL 37 Cb -0.17 -1.34 -0.09 0.00 0.56 0.00 0.00 36.38 35.34 1go0 s VAL 37 CO 0.07 0.44 1.29 0.00 -0.31 0.00 0.00 175.10 176.60 1go0 s ALA 38 N 0.12 3.51 0.29 1.32 0.00 -0.57 0.16 121.76 126.59 1go0 s ALA 38 Ca -0.07 1.11 -0.01 0.00 0.00 0.00 0.00 51.96 52.99 1go0 s ALA 38 Cb -0.13 -3.47 0.44 0.00 0.00 0.00 0.00 23.12 19.96 1go0 s ALA 38 CO 0.03 -0.52 1.87 0.00 0.00 0.00 0.00 175.76 177.15 1go0 h ARG 39 N 4.91 0.87 -1.10 0.00 3.08 -0.49 -2.24 114.38 119.41 1go0 h ARG 39 Ca -0.46 -0.14 -0.23 0.00 0.07 0.00 0.00 59.98 59.22 1go0 h ARG 39 Cb 1.22 -0.15 -0.13 0.00 0.08 0.00 0.00 29.97 30.98 1go0 h ARG 39 CO 0.74 0.72 0.30 0.09 -1.07 0.00 0.00 179.97 180.75 1go0 n ASN 40 N -4.32 3.83 -4.97 7.04 4.13 -1.20 -4.87 115.26 114.90 1go0 n ASN 40 Ca 0.05 -2.74 -0.19 0.00 1.68 0.00 0.00 54.58 53.38 1go0 n ASN 40 Cb 0.17 -0.72 0.04 0.00 -1.54 0.00 0.00 39.78 37.73 1go0 n ASN 40 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1go0 s ALA 41 N -1.45 4.32 0.12 5.41 0.00 -0.85 -4.53 121.76 124.78 1go0 s ALA 41 Ca 0.25 -1.69 -0.31 0.00 0.00 0.00 0.00 51.96 50.21 1go0 s ALA 41 Cb 0.21 -1.75 -0.09 0.00 0.00 0.00 0.00 23.12 21.49 1go0 s ALA 41 CO 0.04 -0.64 1.67 1.03 0.00 0.00 0.00 175.76 177.86 1go0 s ARG 42 N -4.60 4.18 0.23 0.00 0.52 -1.26 -4.90 118.95 113.12 1go0 s ARG 42 Ca 0.58 2.41 -0.08 0.00 -0.52 0.00 0.00 55.73 58.13 1go0 s ARG 42 Cb -0.09 -3.44 0.25 0.00 0.52 0.00 0.00 34.95 32.20 1go0 s ARG 42 CO 0.37 -0.72 1.87 -1.35 0.02 0.00 0.00 175.30 175.48 1go0 h PRO 43 N 7.85 0.97 -0.80 3.54 0.11 -1.96 -0.88 132.00 140.83 1go0 h PRO 43 Ca -0.43 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 65.64 1go0 h PRO 43 Cb 1.21 -0.22 -0.05 0.00 0.11 0.00 0.00 31.00 32.05 1go0 h PRO 43 CO 0.93 0.64 0.52 0.22 -0.21 0.00 0.00 178.00 180.10 1go0 h ASP 44 N 1.00 0.87 -0.13 -2.05 3.58 -1.99 0.24 116.42 117.94 1go0 h ASP 44 Ca 0.33 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.76 1go0 h ASP 44 Cb 0.04 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 1go0 h ASP 44 CO -0.12 0.61 0.05 0.40 -2.88 0.00 0.00 179.24 177.30 1go0 h ILE 45 N 1.03 1.16 -0.04 2.25 1.08 -1.79 -0.43 117.51 120.76 1go0 h ILE 45 Ca 0.31 -0.48 0.01 0.00 -0.39 0.00 0.00 64.86 64.31 1go0 h ILE 45 Cb -0.03 1.23 -0.01 0.00 -3.07 0.00 0.00 36.82 34.94 1go0 h ILE 45 CO -0.10 0.14 -0.00 0.11 -0.69 0.00 0.00 178.15 177.61 1go0 h LYS 46 N 0.05 0.01 -0.99 2.37 1.57 -0.58 -0.88 116.57 118.12 1go0 h LYS 46 Ca 0.04 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1go0 h LYS 46 Cb 0.18 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 1go0 h LYS 46 CO -0.00 0.01 0.65 0.93 -0.57 0.00 0.00 179.45 180.47 1go0 h GLU 47 N 0.01 1.27 0.17 3.15 4.39 -0.45 0.13 114.58 123.25 1go0 h GLU 47 Ca 0.02 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1go0 h GLU 47 Cb 0.02 -0.29 0.00 0.00 -0.10 0.00 0.00 28.75 28.39 1go0 h GLU 47 CO -0.03 0.84 -0.08 0.22 -1.16 0.00 0.00 179.01 178.79 1go0 h ASP 48 N 1.30 -0.20 0.15 1.42 3.58 -0.70 -2.02 116.42 119.96 1go0 h ASP 48 Ca 0.38 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 1go0 h ASP 48 Cb -0.08 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.02 1go0 h ASP 48 CO -0.10 0.09 -0.07 0.40 -2.88 0.00 0.00 179.24 176.68 1go0 h ILE 49 N -0.50 0.92 -0.48 2.25 2.04 -0.92 -1.58 117.51 119.24 1go0 h ILE 49 Ca -0.02 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.55 1go0 h ILE 49 Cb 0.38 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 1go0 h ILE 49 CO 0.04 0.08 0.26 -0.33 0.00 0.00 0.00 178.15 178.20 1go0 h GLU 50 N -0.36 0.50 0.06 2.37 5.08 -0.82 0.22 114.58 121.63 1go0 h GLU 50 Ca -0.02 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1go0 h GLU 50 Cb 0.29 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1go0 h GLU 50 CO 0.03 0.33 -0.03 -0.92 -1.00 0.00 0.00 179.01 177.42 1go0 h TYR 51 N 0.51 -0.08 -0.60 4.33 3.20 -1.33 -0.86 116.97 122.14 1go0 h TYR 51 Ca 0.21 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.00 1go0 h TYR 51 Cb 0.09 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1go0 h TYR 51 CO -0.09 0.10 0.09 1.88 -1.64 0.00 0.00 178.16 178.50 1go0 h TYR 52 N -0.24 1.07 -0.68 -3.82 -1.99 -1.04 -1.64 116.97 108.62 1go0 h TYR 52 Ca -0.01 -0.15 -0.04 0.00 2.00 0.00 0.00 58.73 60.53 1go0 h TYR 52 Cb 0.21 -0.29 -0.03 0.00 2.00 0.00 0.00 36.73 38.62 1go0 h TYR 52 CO -0.02 0.92 0.27 0.00 -0.00 0.00 0.00 178.16 179.33 1go0 h ALA 53 N 1.01 0.89 -0.75 3.88 0.00 -0.53 -1.98 119.26 121.77 1go0 h ALA 53 Ca 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1go0 h ALA 53 Cb 0.44 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1go0 h ALA 53 CO 0.01 0.51 0.44 -0.09 0.00 0.00 0.00 179.25 180.12 1go0 h ARG 54 N 0.97 1.02 -0.13 0.00 1.12 -0.88 0.36 114.38 116.84 1go0 h ARG 54 Ca 0.23 -0.10 -0.00 0.00 -1.11 0.00 0.00 59.98 59.00 1go0 h ARG 54 Cb 0.21 -0.21 -0.01 0.00 -0.01 0.00 0.00 29.97 29.95 1go0 h ARG 54 CO -0.02 0.73 0.07 -0.07 -3.11 0.00 0.00 179.97 177.57 1go0 h LEU 55 N 1.04 0.17 -1.10 3.80 3.38 -0.74 -2.57 115.31 119.29 1go0 h LEU 55 Ca 0.27 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1go0 h LEU 55 Cb -0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1go0 h LEU 55 CO -0.05 0.22 -0.29 0.28 0.09 0.00 0.00 178.44 178.69 1go0 h SER 56 N 0.10 0.28 0.00 -0.43 0.02 -0.91 -3.47 113.55 109.14 1go0 h SER 56 Ca 0.05 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1go0 h SER 56 Cb 0.09 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1go0 h SER 56 CO -0.01 0.56 0.00 0.61 -1.14 0.00 0.00 176.83 176.86 1go0 n GLY 57 N -0.46 1.80 3.60 -3.77 0.00 0.86 -5.10 105.19 102.12 1go0 n GLY 57 Ca -0.01 0.00 -0.37 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 -2.00 5.10 0.26 -0.61 1.01 0.88 -4.99 121.20 120.86 1go0 s ILE 58 Ca 0.00 0.09 -0.30 0.00 0.00 0.00 0.00 60.65 60.45 1go0 s ILE 58 Cb 0.00 -3.39 -0.10 0.00 0.01 0.00 0.00 42.46 38.98 1go0 s ILE 58 CO 0.00 0.33 1.43 -2.84 0.00 0.00 0.00 174.94 173.85 1go0 s PRO 59 N 1.29 4.27 -0.17 2.79 0.02 -1.26 -4.06 135.00 137.89 1go0 s PRO 59 Ca 0.07 2.30 0.01 0.00 0.02 0.00 0.00 61.00 63.40 1go0 s PRO 59 Cb -0.14 -3.10 0.01 0.00 0.02 0.00 0.00 34.50 31.28 1go0 s PRO 59 CO 0.06 -0.40 -0.17 0.08 -0.33 0.00 0.00 177.00 176.24 1go0 s VAL 60 N -0.18 2.44 -0.19 3.83 1.01 -1.26 -1.57 120.40 124.48 1go0 s VAL 60 Ca 0.58 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.63 1go0 s VAL 60 Cb -0.42 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 1go0 s VAL 60 CO 0.45 0.52 0.13 -0.47 0.00 0.00 0.00 175.10 175.73 1go0 s TYR 61 N 1.02 3.42 -0.27 5.22 5.04 0.11 -4.83 117.35 127.06 1go0 s TYR 61 Ca -0.02 0.33 -0.16 0.00 -2.44 0.00 0.00 57.07 54.78 1go0 s TYR 61 Cb -0.15 -2.13 -0.03 0.00 0.35 0.00 0.00 41.96 40.00 1go0 s TYR 61 CO -0.04 0.32 0.43 -2.00 -1.34 0.00 0.00 175.55 172.92 1go0 s GLU 62 N 0.22 4.04 -0.12 4.97 2.12 -1.26 -1.30 118.70 127.37 1go0 s GLU 62 Ca 0.08 0.15 -0.30 0.00 0.36 0.00 0.00 54.97 55.27 1go0 s GLU 62 Cb -0.11 -3.65 -0.02 0.00 0.26 0.00 0.00 34.13 30.61 1go0 s GLU 62 CO -0.01 -0.30 1.14 0.12 -0.54 0.00 0.00 175.26 175.67 1go0 s PHE 63 N 2.16 3.22 -1.37 5.30 5.36 0.12 -4.92 117.98 127.86 1go0 s PHE 63 Ca 0.17 1.30 -0.08 0.00 -0.96 0.00 0.00 56.93 57.36 1go0 s PHE 63 Cb -0.16 -3.36 -0.08 0.00 -0.34 0.00 0.00 43.02 39.09 1go0 s PHE 63 CO 0.10 -1.01 2.65 0.39 -1.46 0.00 0.00 175.22 175.89 1go0 n GLU 64 N 5.60 3.11 -3.61 10.12 1.02 -1.26 -0.83 120.64 134.79 1go0 n GLU 64 Ca 0.11 -1.93 -0.03 0.00 -0.02 0.00 0.00 57.16 55.30 1go0 n GLU 64 Cb 0.46 -2.67 -0.01 0.00 -0.02 0.00 0.00 31.44 29.20 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 2.63 -0.35 0.72 0.62 0.00 -1.26 -4.98 107.32 104.70 1go0 s GLY 65 Ca 0.59 1.11 -0.11 0.00 0.00 0.00 0.00 44.72 46.31 1go0 s GLY 65 CO -0.05 0.33 1.09 -1.08 0.00 0.00 0.00 173.10 173.38 1go0 s THR 66 N -2.55 3.56 0.43 0.90 -1.32 -1.26 -2.19 115.64 113.20 1go0 s THR 66 Ca 0.11 0.51 0.10 0.00 -1.21 0.00 0.00 61.69 61.20 1go0 s THR 66 Cb 0.01 -3.41 0.29 0.00 -1.51 0.00 0.00 72.50 67.89 1go0 s THR 66 CO -0.04 -0.66 2.04 0.28 -2.21 0.00 0.00 174.62 174.02 1go0 h SER 67 N -0.75 0.39 -0.29 8.08 0.02 -1.80 -1.06 113.55 118.15 1go0 h SER 67 Ca -0.45 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.50 1go0 h SER 67 Cb 1.25 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 1go0 h SER 67 CO 0.62 0.27 0.19 0.58 -1.14 0.00 0.00 176.83 177.34 1go0 h VAL 68 N 0.46 1.06 -0.51 2.27 2.07 -1.87 0.33 116.25 120.06 1go0 h VAL 68 Ca 0.19 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 1go0 h VAL 68 Cb 0.18 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1go0 h VAL 68 CO -0.05 0.07 0.11 -0.33 0.02 0.00 0.00 177.57 177.39 1go0 h GLU 69 N 0.38 0.83 -0.37 1.57 4.39 -1.68 -1.28 114.58 118.41 1go0 h GLU 69 Ca 0.11 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1go0 h GLU 69 Cb -0.03 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 1go0 h GLU 69 CO -0.04 0.80 0.21 1.25 -1.16 0.00 0.00 179.01 180.08 1go0 h LEU 70 N 0.71 0.46 -0.30 1.33 5.85 -0.90 0.93 115.31 123.38 1go0 h LEU 70 Ca 0.16 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1go0 h LEU 70 Cb 0.35 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1go0 h LEU 70 CO 0.00 0.39 0.14 1.23 -0.34 0.00 0.00 178.44 179.86 1go0 h GLY 71 N 0.48 0.47 1.38 3.75 0.00 -0.81 -0.28 103.07 108.07 1go0 h GLY 71 Ca 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1go0 h GLY 71 CO -0.02 0.23 0.33 -0.84 0.00 0.00 0.00 176.54 176.24 1go0 h THR 72 N 0.35 1.18 -0.46 4.70 2.02 -1.03 0.11 112.91 119.78 1go0 h THR 72 Ca 0.10 -0.43 -0.08 0.00 0.77 0.00 0.00 66.41 66.77 1go0 h THR 72 Cb 0.14 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1go0 h THR 72 CO -0.01 0.19 -0.01 0.25 0.37 0.00 0.00 175.52 176.31 1go0 h LEU 73 N 0.82 0.80 0.41 2.58 5.85 -0.38 -3.10 115.31 122.30 1go0 h LEU 73 Ca 0.21 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1go0 h LEU 73 Cb 0.01 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.83 1go0 h LEU 73 CO -0.04 0.92 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.72 1go0 h LEU 74 N 0.66 -0.46 0.00 2.25 3.38 -0.27 -3.47 115.31 117.40 1go0 h LEU 74 Ca 0.13 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1go0 h LEU 74 Cb 0.52 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1go0 h LEU 74 CO 0.03 -0.28 0.00 0.61 0.09 0.00 0.00 178.44 178.89 1go0 n GLY 75 N -1.14 3.79 3.70 0.83 0.00 0.30 -4.97 105.19 107.69 1go0 n GLY 75 Ca -0.11 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 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 0.00 4.27 0.00 1.61 3.52 -1.23 -4.81 118.95 122.32 1go0 s ARG 76 Ca 0.00 2.10 -0.01 0.00 -0.13 0.00 0.00 55.73 57.69 1go0 s ARG 76 Cb 0.00 -3.45 -0.04 0.00 -1.56 0.00 0.00 34.95 29.90 1go0 s ARG 76 CO 0.00 -0.56 1.79 -0.35 -0.81 0.00 0.00 175.30 175.37 1go0 n PRO 77 N 4.86 0.91 -4.25 5.12 -0.04 -1.26 -4.07 135.00 136.28 1go0 n PRO 77 Ca 0.13 -0.16 -0.34 0.00 -0.04 0.00 0.00 63.50 63.09 1go0 n PRO 77 Cb 0.42 -1.29 -0.08 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.72 3.22 -1.26 0.54 3.76 -1.26 -4.98 115.29 116.02 1go0 s HIS 78 Ca 0.11 0.21 -0.19 0.00 -0.15 0.00 0.00 55.06 55.04 1go0 s HIS 78 Cb 0.05 -1.77 0.01 0.00 1.11 0.00 0.00 32.58 31.98 1go0 s HIS 78 CO 0.00 0.51 1.84 0.25 -0.85 0.00 0.00 174.74 176.49 1go0 n THR 79 N 1.78 3.23 -2.20 1.30 -2.24 -1.26 -3.88 114.28 111.00 1go0 n THR 79 Ca -0.17 -3.31 -0.43 0.00 -2.27 0.00 0.00 64.05 57.87 1go0 n THR 79 Cb 0.53 -2.31 -0.02 0.00 -2.10 0.00 0.00 70.33 66.43 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 6.29 3.88 0.02 2.28 1.01 -1.16 -4.82 120.40 127.90 1go0 s VAL 80 Ca 0.58 1.04 -0.14 0.00 0.00 0.00 0.00 61.98 63.46 1go0 s VAL 80 Cb 0.04 -3.75 -0.34 0.00 0.00 0.00 0.00 36.38 32.32 1go0 s VAL 80 CO 0.09 -0.19 0.96 0.28 0.00 0.00 0.00 175.10 176.24 1go0 h SER 81 N 9.45 0.78 -5.00 3.32 0.02 -1.92 -3.39 113.55 116.81 1go0 h SER 81 Ca -0.33 -0.88 -0.09 0.00 -0.84 0.00 0.00 61.79 59.66 1go0 h SER 81 Cb 1.14 -0.25 -0.19 0.00 0.14 0.00 0.00 62.40 63.23 1go0 h SER 81 CO 0.98 1.70 -0.04 0.00 -1.14 0.00 0.00 176.83 178.33 1go0 s ALA 82 N -2.60 -1.28 -0.01 3.77 0.00 -1.26 -1.51 121.76 118.86 1go0 s ALA 82 Ca -0.10 0.81 -0.12 0.00 0.00 0.00 0.00 51.96 52.56 1go0 s ALA 82 Cb 0.04 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.24 1go0 s ALA 82 CO 0.93 -0.33 0.24 -0.48 0.00 0.00 0.00 175.76 176.12 1go0 s LEU 83 N -1.31 1.13 -0.21 0.00 0.05 -0.12 -0.72 118.68 117.50 1go0 s LEU 83 Ca -0.12 0.00 0.02 0.00 0.05 0.00 0.00 54.13 54.08 1go0 s LEU 83 Cb -0.02 1.01 0.03 0.00 -2.05 0.00 0.00 46.19 45.16 1go0 s LEU 83 CO 0.07 -0.39 -0.17 0.00 -0.55 0.00 0.00 176.35 175.30 1go0 s ALA 84 N -1.25 2.40 -0.18 1.48 0.00 0.32 -0.34 121.76 124.18 1go0 s ALA 84 Ca -0.13 -1.40 -0.29 0.00 0.00 0.00 0.00 51.96 50.13 1go0 s ALA 84 Cb -0.06 -1.32 -0.00 0.00 0.00 0.00 0.00 23.12 21.74 1go0 s ALA 84 CO 0.03 -0.65 1.06 0.08 0.00 0.00 0.00 175.76 176.28 1go0 s VAL 85 N 1.23 4.65 -0.20 0.00 1.01 0.16 -0.22 120.40 127.03 1go0 s VAL 85 Ca 0.00 1.96 -0.10 0.00 0.00 0.00 0.00 61.98 63.85 1go0 s VAL 85 Cb -0.15 -4.27 -0.20 0.00 0.00 0.00 0.00 36.38 31.76 1go0 s VAL 85 CO -0.10 -0.12 0.08 0.52 0.00 0.00 0.00 175.10 175.48 1go0 n VAL 86 N 5.08 1.62 -3.64 2.92 0.31 0.31 -0.63 118.33 124.29 1go0 n VAL 86 Ca 0.11 -0.44 -0.29 0.00 -0.01 0.00 0.00 64.34 63.72 1go0 n VAL 86 Cb 0.47 -1.77 -0.09 0.00 -0.91 0.00 0.00 33.84 31.54 1go0 n VAL 86 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1go0 n ASP 87 N -3.80 3.57 -2.46 4.52 8.00 -1.19 -4.41 116.55 120.78 1go0 n ASP 87 Ca -0.39 -3.32 -0.28 0.00 0.71 0.00 0.00 54.79 51.51 1go0 n ASP 87 Cb 0.92 -0.76 -0.02 0.00 -0.02 0.00 0.00 41.12 41.24 1go0 n ASP 87 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1go0 n PRO 88 N 1.47 2.38 0.05 -0.24 -0.05 -1.26 -3.80 135.00 133.55 1go0 n PRO 88 Ca 0.25 -2.46 -0.13 0.00 -0.05 0.00 0.00 63.50 61.11 1go0 n PRO 88 Cb 0.38 -2.09 -0.09 0.00 -0.05 0.00 0.00 33.50 31.65 1go0 n PRO 88 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 175.50 176.23 1go0 h GLY 89 N 3.47 -0.14 0.70 0.55 0.00 -1.95 -3.35 103.07 102.34 1go0 h GLY 89 Ca 0.42 0.05 -0.36 0.00 0.00 0.00 0.00 47.33 47.44 1go0 h GLY 89 CO 0.99 -0.05 -1.93 -2.09 0.00 0.00 0.00 176.54 173.45 1go0 h GLU 90 N -0.46 0.28 -6.62 4.80 4.81 -1.94 -3.46 114.58 111.98 1go0 h GLU 90 Ca -0.01 -0.47 -0.53 0.00 -0.13 0.00 0.00 59.36 58.22 1go0 h GLU 90 Cb 0.38 0.18 0.04 0.00 0.63 0.00 0.00 28.75 29.97 1go0 h GLU 90 CO 0.02 1.20 0.79 -1.54 -0.73 0.00 0.00 179.01 178.75 1go0 s SER 91 N -7.04 6.70 -0.18 1.04 1.04 -1.26 -4.89 113.70 109.11 1go0 s SER 91 Ca -0.20 2.52 0.01 0.00 0.48 0.00 0.00 55.95 58.76 1go0 s SER 91 Cb 0.06 -2.60 0.23 0.00 0.10 0.00 0.00 66.02 63.81 1go0 s SER 91 CO 0.79 -0.72 1.49 0.54 0.98 0.00 0.00 173.24 176.32 1go0 n ARG 92 N 3.50 1.49 0.21 4.02 5.12 -1.26 -4.27 116.66 125.47 1go0 n ARG 92 Ca 0.11 -1.12 0.06 0.00 -1.93 0.00 0.00 57.85 54.97 1go0 n ARG 92 Cb 0.40 -1.44 0.45 0.00 -1.16 0.00 0.00 32.46 30.72 1go0 n ARG 92 CO 0.00 0.00 0.00 0.97 -1.93 0.00 0.00 177.63 176.67 1go0 h ILE 93 N 0.51 0.96 0.00 0.55 6.09 -1.88 -1.97 117.51 121.77 1go0 h ILE 93 Ca 0.23 -1.14 -0.03 0.00 -1.37 0.00 0.00 64.86 62.55 1go0 h ILE 93 Cb 1.51 1.66 -0.00 0.00 0.47 0.00 0.00 36.82 40.46 1go0 h ILE 93 CO 0.44 0.30 -0.13 -0.07 -3.07 0.00 0.00 178.15 175.62 1go0 h LEU 94 N 0.00 0.00 -0.41 2.19 3.38 -1.89 -1.32 115.31 117.26 1go0 h LEU 94 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1go0 h LEU 94 Cb 0.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1go0 h LEU 94 CO 0.04 0.13 -0.60 0.00 0.09 0.00 0.00 178.44 178.10 1go0 h ALA 95 N 1.87 0.59 0.00 1.53 0.00 -1.67 0.07 119.26 121.64 1go0 h ALA 95 Ca -0.00 -0.54 -0.19 0.00 0.00 0.00 0.00 54.91 54.19 1go0 h ALA 95 Cb 0.40 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1go0 h ALA 95 CO 0.02 0.70 -0.84 -0.07 0.00 0.00 0.00 179.25 179.05 1go0 h LEU 96 N 0.48 0.17 -0.01 0.00 3.38 -1.39 -3.31 115.31 114.63 1go0 h LEU 96 Ca -0.00 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1go0 h LEU 96 Cb 1.17 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1go0 h LEU 96 CO 0.12 0.93 -0.21 1.23 0.09 0.00 0.00 178.44 180.60 1go0 h GLY 97 N 2.03 0.17 -4.58 0.83 0.00 -1.20 -3.44 103.07 96.87 1go0 h GLY 97 Ca -0.03 -0.29 -0.53 0.00 0.00 0.00 0.00 47.33 46.48 1go0 h GLY 97 CO 0.12 0.25 0.69 -0.32 0.00 0.00 0.00 176.54 177.29 1go0 s GLY 98 N -3.86 2.09 0.25 4.60 0.00 0.00 -4.19 107.32 106.22 1go0 s GLY 98 Ca -0.16 0.98 0.01 0.00 0.00 0.00 0.00 44.72 45.56 1go0 s GLY 98 CO 0.73 2.27 1.64 0.50 0.00 0.00 0.00 173.10 178.24 1go0 h LYS 99 N 6.99 0.45 0.00 2.90 6.56 -1.85 -3.45 116.57 128.17 1go0 h LYS 99 Ca -0.41 -0.22 0.00 0.00 -1.06 0.00 0.00 60.65 58.96 1go0 h LYS 99 Cb 1.20 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 1go0 h LYS 99 CO 0.85 0.78 0.00 -1.91 -2.06 0.00 0.00 179.45 177.11