#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ami s VAL 2 N 0.00 3.62 0.00 5.15 1.01 -1.26 -4.06 120.40 124.86 2ami s VAL 2 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2ami s VAL 2 Cb 0.00 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.94 2ami s VAL 2 CO 0.00 -1.24 0.00 0.61 0.00 0.00 0.00 175.10 174.47 2ami n GLY 3 N 6.47 1.65 3.57 4.51 0.00 -1.26 -4.72 105.19 115.41 2ami n GLY 3 Ca 0.41 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 46.10 2ami n GLY 3 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ami s LEU 4 N 0.00 3.25 1.10 0.99 1.43 -1.26 -4.90 118.68 119.29 2ami s LEU 4 Ca 0.00 -1.31 -0.13 0.00 -1.03 0.00 0.00 54.13 51.66 2ami s LEU 4 Cb 0.00 -2.57 0.25 0.00 0.03 0.00 0.00 46.19 43.90 2ami s LEU 4 CO 0.00 -2.51 1.05 0.42 0.23 0.00 0.00 176.35 175.54 2ami s THR 5 N 9.03 2.06 0.26 5.49 -4.23 -1.26 -0.40 115.64 126.59 2ami s THR 5 Ca 0.64 0.02 -0.04 0.00 -1.18 0.00 0.00 61.69 61.13 2ami s THR 5 Cb -0.03 -2.21 0.26 0.00 1.34 0.00 0.00 72.50 71.87 2ami s THR 5 CO 0.04 -0.02 1.93 -0.33 -0.54 0.00 0.00 174.62 175.69 2ami h GLU 6 N -2.37 1.25 -0.00 3.99 3.07 -1.93 0.12 114.58 118.70 2ami h GLU 6 Ca -0.59 -0.08 0.03 0.00 -0.50 0.00 0.00 59.36 58.23 2ami h GLU 6 Cb 1.33 -0.28 -0.05 0.00 -0.84 0.00 0.00 28.75 28.91 2ami h GLU 6 CO 0.52 0.83 -0.32 1.49 -1.40 0.00 0.00 179.01 180.13 2ami h GLU 7 N 1.29 -0.45 -0.25 2.33 4.22 -1.99 0.18 114.58 119.92 2ami h GLU 7 Ca 0.37 0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.88 2ami h GLU 7 Cb -0.09 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 2ami h GLU 7 CO -0.10 -0.30 0.02 1.96 -2.18 0.00 0.00 179.01 178.41 2ami h GLN 8 N -0.46 0.10 -1.00 1.92 1.08 -1.66 -0.83 115.11 114.25 2ami h GLN 8 Ca 0.06 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.28 2ami h GLN 8 Cb 0.55 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.91 2ami h GLN 8 CO -0.27 0.06 0.66 0.87 -0.95 0.00 0.00 178.83 179.21 2ami h LYS 9 N 0.10 1.26 0.26 1.46 1.57 -0.50 0.14 116.57 120.86 2ami h LYS 9 Ca 0.12 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2ami h LYS 9 Cb 0.14 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 2ami h LYS 9 CO -0.18 0.83 -0.32 1.96 -0.57 0.00 0.00 179.45 181.17 2ami h GLN 10 N 1.30 -0.61 -0.41 3.15 1.08 -0.15 0.13 115.11 119.60 2ami h GLN 10 Ca 0.39 0.04 0.07 0.00 -1.45 0.00 0.00 58.65 57.70 2ami h GLN 10 Cb -0.05 0.14 -0.06 0.00 -0.05 0.00 0.00 27.48 27.45 2ami h GLN 10 CO -0.11 -0.40 0.02 0.93 -0.95 0.00 0.00 178.83 178.32 2ami h GLU 11 N -0.63 0.13 -0.29 1.46 4.39 -0.39 0.58 114.58 119.83 2ami h GLU 11 Ca -0.00 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.71 2ami h GLU 11 Cb 0.60 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 2ami h GLU 11 CO -0.10 0.09 0.15 0.82 -1.16 0.00 0.00 179.01 178.81 2ami h ILE 12 N 0.13 1.01 0.12 3.13 2.04 -0.56 0.73 117.51 124.11 2ami h ILE 12 Ca 0.20 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.95 2ami h ILE 12 Cb 0.28 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2ami h ILE 12 CO -0.32 0.06 -0.10 -0.09 0.00 0.00 0.00 178.15 177.70 2ami h ARG 13 N 0.32 -0.22 -0.06 2.37 9.65 -0.21 0.14 114.38 126.36 2ami h ARG 13 Ca 0.12 0.02 0.03 0.00 -1.10 0.00 0.00 59.98 59.04 2ami h ARG 13 Cb 0.02 0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.62 2ami h ARG 13 CO -0.07 -0.15 -0.12 0.93 2.80 0.00 0.00 179.97 183.36 2ami h GLU 14 N -0.23 -0.16 -0.10 0.20 5.08 -0.62 0.92 114.58 119.67 2ami h GLU 14 Ca 0.00 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2ami h GLU 14 Cb 0.21 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2ami h GLU 14 CO -0.02 -0.11 -0.09 0.00 -1.00 0.00 0.00 179.01 177.79 2ami h ALA 15 N 0.85 -0.02 -0.04 3.43 0.00 -0.77 -0.36 119.26 122.36 2ami h ALA 15 Ca 0.06 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2ami h ALA 15 Cb 0.26 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 2ami h ALA 15 CO -0.16 -0.55 -0.48 0.35 0.00 0.00 0.00 179.25 178.40 2ami h PHE 16 N -0.12 -1.40 -0.27 0.00 3.57 -0.29 0.50 116.94 118.94 2ami h PHE 16 Ca 0.07 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.68 2ami h PHE 16 Cb 0.22 0.62 -0.06 0.00 2.79 0.00 0.00 35.95 39.51 2ami h PHE 16 CO -0.20 -0.53 -0.15 -0.44 -2.23 0.00 0.00 178.31 174.75 2ami h ASP 17 N -0.60 -0.49 0.04 0.41 3.32 -0.60 0.14 116.42 118.63 2ami h ASP 17 Ca 0.04 0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.22 2ami h ASP 17 Cb 0.68 0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.47 2ami h ASP 17 CO -0.37 -0.19 -0.18 0.25 -1.72 0.00 0.00 179.24 177.04 2ami h LEU 18 N -0.12 -0.51 -0.93 1.55 6.46 -0.63 -2.56 115.31 118.58 2ami h LEU 18 Ca 0.15 0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.98 2ami h LEU 18 Cb 0.34 0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 40.43 2ami h LEU 18 CO -0.35 -0.25 0.61 -0.26 -0.62 0.00 0.00 178.44 177.58 2ami h PHE 19 N -0.31 1.19 0.00 1.25 0.04 -0.39 -3.23 116.94 115.48 2ami h PHE 19 Ca 0.04 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 2ami h PHE 19 Cb 0.36 -0.40 -0.00 0.00 2.20 0.00 0.00 35.95 38.11 2ami h PHE 19 CO -0.21 0.75 -0.01 -3.47 -0.60 0.00 0.00 178.31 174.78 2ami n ASP 20 N -4.42 4.62 -0.06 2.17 2.03 0.44 -4.66 116.55 116.67 2ami n ASP 20 Ca 0.11 -2.22 -0.03 0.00 0.52 0.00 0.00 54.79 53.16 2ami n ASP 20 Cb 0.02 -0.98 -0.03 0.00 -0.72 0.00 0.00 41.12 39.41 2ami n ASP 20 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2ami h THR 21 N 1.16 0.00 0.00 5.18 1.35 -1.67 0.14 112.91 119.07 2ami h THR 21 Ca 0.00 0.00 -0.16 0.00 -0.55 0.00 0.00 66.41 65.70 2ami h THR 21 Cb 0.87 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.27 2ami h THR 21 CO 0.01 0.00 -1.54 -0.67 -0.25 0.00 0.00 175.52 173.06 2ami n ASP 22 N -3.49 0.69 -0.09 5.36 2.03 -1.26 -3.96 116.55 115.83 2ami n ASP 22 Ca -0.00 0.30 -0.13 0.00 0.52 0.00 0.00 54.79 55.47 2ami n ASP 22 Cb 0.09 0.45 -0.01 0.00 -0.72 0.00 0.00 41.12 40.92 2ami n ASP 22 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2ami h GLY 23 N 3.79 0.95 -6.87 0.27 0.00 -1.77 -3.48 103.07 95.97 2ami h GLY 23 Ca -0.18 -1.02 -0.58 0.00 0.00 0.00 0.00 47.33 45.55 2ami h GLY 23 CO 0.04 0.92 -1.00 1.44 0.00 0.00 0.00 176.54 177.94 2ami n SER 24 N -4.03 -3.71 0.00 0.19 7.64 0.48 -3.82 113.62 110.37 2ami n SER 24 Ca -0.03 -1.27 0.00 0.00 1.01 0.00 0.00 58.87 58.59 2ami n SER 24 Cb 0.57 -1.87 0.00 0.00 -1.01 0.00 0.00 64.21 61.90 2ami n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ami n GLY 25 N -2.10 1.56 2.83 0.23 0.00 -1.26 -5.11 105.19 101.35 2ami n GLY 25 Ca -0.13 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 2ami n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ami s THR 26 N 0.00 0.18 -0.34 2.61 -4.23 -1.25 -4.36 115.64 108.26 2ami s THR 26 Ca 0.00 0.06 -0.29 0.00 -1.18 0.00 0.00 61.69 60.28 2ami s THR 26 Cb 0.00 -0.27 -0.00 0.00 1.34 0.00 0.00 72.50 73.57 2ami s THR 26 CO 0.00 0.14 1.45 -0.63 -0.54 0.00 0.00 174.62 175.03 2ami s ILE 27 N 0.90 3.90 0.54 2.99 1.01 0.31 -4.46 121.20 126.39 2ami s ILE 27 Ca -0.09 0.96 -0.21 0.00 0.00 0.00 0.00 60.65 61.31 2ami s ILE 27 Cb -0.12 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 2ami s ILE 27 CO -0.02 -0.57 1.31 -0.62 0.00 0.00 0.00 174.94 175.04 2ami s ASP 28 N 3.86 5.37 0.25 3.58 -1.08 -1.26 0.05 116.67 127.43 2ami s ASP 28 Ca 0.63 2.66 -0.02 0.00 -0.52 0.00 0.00 52.55 55.30 2ami s ASP 28 Cb -0.17 -2.63 0.54 0.00 -1.46 0.00 0.00 42.92 39.20 2ami s ASP 28 CO 0.29 -1.49 1.32 0.00 0.52 0.00 0.00 175.17 175.81 2ami n ALA 29 N -1.03 0.34 -0.11 3.66 0.00 -0.53 -0.07 120.51 122.76 2ami n ALA 29 Ca 0.10 0.92 -0.07 0.00 0.00 0.00 0.00 53.44 54.39 2ami n ALA 29 Cb 0.46 -0.62 0.01 0.00 0.00 0.00 0.00 19.45 19.30 2ami n ALA 29 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2ami h LYS 30 N 0.00 0.41 -0.87 0.00 1.57 -1.91 0.12 116.57 115.89 2ami h LYS 30 Ca 0.47 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.20 2ami h LYS 30 Cb 0.87 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.05 2ami h LYS 30 CO -0.83 0.27 0.45 0.93 -0.57 0.00 0.00 179.45 179.70 2ami h GLU 31 N 0.42 1.22 -0.58 3.15 5.08 -0.82 0.31 114.58 123.37 2ami h GLU 31 Ca 0.15 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2ami h GLU 31 Cb 0.03 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 2ami h GLU 31 CO -0.08 0.92 0.27 1.25 -1.00 0.00 0.00 179.01 180.36 2ami h LEU 32 N 1.22 0.76 -0.26 1.33 5.85 -0.39 0.91 115.31 124.74 2ami h LEU 32 Ca 0.30 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.91 2ami h LEU 32 Cb 0.07 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 2ami h LEU 32 CO -0.04 0.69 0.10 0.50 -0.34 0.00 0.00 178.44 179.34 2ami h LYS 33 N 0.79 0.22 -0.35 1.25 3.64 -0.10 0.16 116.57 122.17 2ami h LYS 33 Ca 0.20 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.62 2ami h LYS 33 Cb 0.13 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 2ami h LYS 33 CO -0.02 0.15 0.05 0.28 -2.27 0.00 0.00 179.45 177.63 2ami h VAL 34 N 0.23 0.80 -0.27 2.00 2.07 -0.72 0.61 116.25 120.96 2ami h VAL 34 Ca 0.11 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.63 2ami h VAL 34 Cb 0.06 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 2ami h VAL 34 CO -0.10 0.03 -0.09 0.00 0.02 0.00 0.00 177.57 177.42 2ami h ALA 35 N 1.28 0.15 -0.77 1.67 0.00 -0.22 0.57 119.26 121.94 2ami h ALA 35 Ca 0.17 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.19 2ami h ALA 35 Cb 0.20 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2ami h ALA 35 CO -0.24 -0.49 0.51 0.52 0.00 0.00 0.00 179.25 179.55 2ami h MET 36 N -0.04 1.01 -0.42 0.00 2.07 -0.23 0.21 114.93 117.53 2ami h MET 36 Ca 0.14 -0.06 0.04 0.00 -2.07 0.00 0.00 59.70 57.75 2ami h MET 36 Cb 0.25 -0.23 -0.04 0.00 -1.87 0.00 0.00 31.60 29.71 2ami h MET 36 CO -0.30 0.67 0.19 0.00 1.07 0.00 0.00 176.91 178.53 2ami h ARG 37 N 1.04 0.38 -0.86 1.72 2.47 -0.28 0.11 114.38 118.95 2ami h ARG 37 Ca 0.28 -0.02 0.04 0.00 -1.26 0.00 0.00 59.98 59.02 2ami h ARG 37 Cb -0.12 -0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 28.06 2ami h ARG 37 CO -0.06 0.25 0.56 0.00 0.56 0.00 0.00 179.97 181.28 2ami h ALA 38 N 1.24 1.49 0.00 0.04 0.00 0.16 0.11 119.26 122.30 2ami h ALA 38 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2ami h ALA 38 Cb 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2ami h ALA 38 CO -0.15 0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.79 2ami n LEU 39 N -4.46 0.00 -0.12 0.00 4.77 0.63 -4.88 117.00 112.94 2ami n LEU 39 Ca 0.12 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.08 2ami n LEU 39 Cb 0.14 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 2ami n LEU 39 CO 0.34 0.00 -0.01 0.61 -1.33 0.00 0.00 177.39 177.00 2ami n GLY 40 N 0.32 0.49 3.84 -0.72 0.00 0.40 -5.03 105.19 104.48 2ami n GLY 40 Ca 0.16 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 2ami n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ami s PHE 41 N -2.06 3.27 -0.38 1.61 0.40 0.27 -4.99 117.98 116.11 2ami s PHE 41 Ca 0.00 1.35 -0.09 0.00 -0.60 0.00 0.00 56.93 57.60 2ami s PHE 41 Cb 0.00 -2.85 0.05 0.00 0.51 0.00 0.00 43.02 40.73 2ami s PHE 41 CO 0.00 -1.08 0.18 -2.00 0.70 0.00 0.00 175.22 173.02 2ami s GLU 42 N -5.10 2.66 -0.62 0.44 2.12 -1.26 -4.46 118.70 112.48 2ami s GLU 42 Ca 0.57 -1.25 -0.23 0.00 0.36 0.00 0.00 54.97 54.43 2ami s GLU 42 Cb -0.13 -3.64 -0.23 0.00 0.26 0.00 0.00 34.13 30.39 2ami s GLU 42 CO 0.55 -0.77 1.75 -2.30 -0.54 0.00 0.00 175.26 173.95 2ami n PRO 43 N 4.90 0.05 -1.86 4.30 -0.02 -1.26 -4.84 135.00 136.26 2ami n PRO 43 Ca -0.11 -1.22 -0.22 0.00 -2.02 0.00 0.00 63.50 59.93 2ami n PRO 43 Cb 0.44 -3.05 -0.08 0.00 -0.02 0.00 0.00 33.50 30.79 2ami n PRO 43 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2ami s LYS 44 N 7.41 1.90 0.15 -0.52 -0.14 -1.26 -4.84 119.74 122.44 2ami s LYS 44 Ca 0.64 -0.84 -0.08 0.00 -1.36 0.00 0.00 55.97 54.33 2ami s LYS 44 Cb 0.01 -5.13 0.19 0.00 -1.68 0.00 0.00 37.83 31.23 2ami s LYS 44 CO 0.19 -4.67 0.92 0.36 -0.76 0.00 0.00 175.35 171.40 2ami n LYS 45 N 8.24 -0.11 -0.12 1.68 2.85 -1.26 0.15 118.16 129.59 2ami n LYS 45 Ca 0.43 0.92 -0.09 0.00 -1.05 0.00 0.00 58.31 58.52 2ami n LYS 45 Cb 0.47 -1.36 -0.01 0.00 -0.65 0.00 0.00 35.03 33.47 2ami n LYS 45 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 2ami h GLU 46 N 0.00 0.56 -0.41 -1.58 9.09 -1.99 0.13 114.58 120.37 2ami h GLU 46 Ca 0.24 -0.10 -0.06 0.00 0.05 0.00 0.00 59.36 59.49 2ami h GLU 46 Cb 0.39 -0.09 -0.02 0.00 -1.65 0.00 0.00 28.75 27.38 2ami h GLU 46 CO -0.60 0.54 0.03 1.49 0.05 0.00 0.00 179.01 180.52 2ami h GLU 47 N 0.45 0.71 -0.35 1.06 4.81 -0.70 -0.59 114.58 119.98 2ami h GLU 47 Ca 0.12 -0.21 0.05 0.00 -0.13 0.00 0.00 59.36 59.19 2ami h GLU 47 Cb 0.20 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.46 2ami h GLU 47 CO -0.01 0.77 0.07 0.82 -0.73 0.00 0.00 179.01 179.93 2ami h ILE 48 N 0.55 0.82 -0.05 2.32 1.08 -0.69 0.11 117.51 121.64 2ami h ILE 48 Ca 0.12 -0.06 0.01 0.00 -0.39 0.00 0.00 64.86 64.53 2ami h ILE 48 Cb 0.43 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 2ami h ILE 48 CO 0.02 0.03 0.01 0.11 -0.69 0.00 0.00 178.15 177.62 2ami h LYS 49 N 0.18 0.03 0.21 2.37 1.79 -0.44 0.10 116.57 120.81 2ami h LYS 49 Ca 0.16 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.64 2ami h LYS 49 Cb 0.19 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.80 2ami h LYS 49 CO -0.22 0.02 -0.34 0.87 -1.08 0.00 0.00 179.45 178.70 2ami h LYS 50 N 0.03 -0.59 -0.17 3.15 1.79 -0.76 0.37 116.57 120.39 2ami h LYS 50 Ca 0.02 0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.56 2ami h LYS 50 Cb 0.02 0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 30.75 2ami h LYS 50 CO -0.04 -0.40 -0.42 1.98 -1.08 0.00 0.00 179.45 179.50 2ami h MET 51 N -0.62 -0.38 -0.52 3.15 4.05 -0.66 0.82 114.93 120.77 2ami h MET 51 Ca 0.01 0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.56 2ami h MET 51 Cb 0.61 0.09 -0.09 0.00 -0.80 0.00 0.00 31.60 31.41 2ami h MET 51 CO -0.14 -0.26 -0.05 0.82 0.23 0.00 0.00 176.91 177.51 2ami h ILE 52 N -0.40 0.55 -0.08 1.77 2.04 -0.65 0.07 117.51 120.81 2ami h ILE 52 Ca 0.03 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.88 2ami h ILE 52 Cb 0.49 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2ami h ILE 52 CO -0.37 0.01 -0.01 0.28 0.00 0.00 0.00 178.15 178.07 2ami h SER 53 N 0.07 -0.05 -0.61 1.72 0.02 -0.28 0.34 113.55 114.76 2ami h SER 53 Ca 0.26 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.28 2ami h SER 53 Cb 0.40 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.92 2ami h SER 53 CO -0.47 -0.01 0.33 -0.33 -1.14 0.00 0.00 176.83 175.21 2ami h GLU 54 N 0.02 0.60 -0.12 3.45 5.08 0.06 -2.20 114.58 121.47 2ami h GLU 54 Ca 0.04 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 2ami h GLU 54 Cb 0.05 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2ami h GLU 54 CO -0.07 0.40 -0.60 0.82 -1.00 0.00 0.00 179.01 178.55 2ami h ILE 55 N 0.62 1.36 -0.24 3.13 1.08 -0.69 -3.38 117.51 119.38 2ami h ILE 55 Ca 0.27 -1.92 -0.65 0.00 -0.39 0.00 0.00 64.86 62.17 2ami h ILE 55 Cb 0.17 1.92 -0.03 0.00 -3.07 0.00 0.00 36.82 35.82 2ami h ILE 55 CO -0.18 0.58 2.54 -0.67 -0.69 0.00 0.00 178.15 179.73 2ami n ASP 56 N -3.91 3.73 -0.18 1.72 2.03 0.12 -4.72 116.55 115.34 2ami n ASP 56 Ca -0.03 -2.81 -0.03 0.00 0.52 0.00 0.00 54.79 52.44 2ami n ASP 56 Cb 0.62 -1.57 0.07 0.00 -0.72 0.00 0.00 41.12 39.53 2ami n ASP 56 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2ami h LYS 57 N 7.14 0.47 0.00 -0.67 1.79 -1.76 -3.42 116.57 120.13 2ami h LYS 57 Ca 0.48 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.92 2ami h LYS 57 Cb 0.73 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 2ami h LYS 57 CO 1.74 0.31 0.00 -3.47 -1.08 0.00 0.00 179.45 176.95 2ami n ASP 58 N -4.91 0.00 0.06 0.86 2.03 -1.26 -4.93 116.55 108.40 2ami n ASP 58 Ca 0.06 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.40 2ami n ASP 58 Cb 0.17 0.00 0.18 0.00 -0.72 0.00 0.00 41.12 40.75 2ami n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ami n GLY 59 N 0.15 -0.55 3.45 0.27 0.00 -1.26 -4.88 105.19 102.37 2ami n GLY 59 Ca 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 2ami n GLY 59 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ami n SER 60 N -1.70 -6.25 0.00 1.61 7.64 -1.26 -1.87 113.62 111.79 2ami n SER 60 Ca -0.00 -0.54 0.00 0.00 1.01 0.00 0.00 58.87 59.33 2ami n SER 60 Cb 0.10 -3.39 0.00 0.00 -1.01 0.00 0.00 64.21 59.90 2ami n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ami n GLY 61 N -1.71 3.12 3.75 0.23 0.00 -1.26 -5.01 105.19 104.32 2ami n GLY 61 Ca -0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 2ami n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ami s THR 62 N -1.97 4.06 -0.29 2.61 -4.23 -0.78 -1.46 115.64 113.57 2ami s THR 62 Ca 0.00 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 2ami s THR 62 Cb 0.00 -3.18 0.06 0.00 1.34 0.00 0.00 72.50 70.72 2ami s THR 62 CO 0.00 -0.36 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.06 2ami s ILE 63 N -2.21 2.65 0.69 2.99 -1.09 0.11 -4.09 121.20 120.25 2ami s ILE 63 Ca 0.32 -1.58 -0.14 0.00 -2.23 0.00 0.00 60.65 57.02 2ami s ILE 63 Cb -0.07 -2.58 0.02 0.00 -1.58 0.00 0.00 42.46 38.25 2ami s ILE 63 CO 0.23 -0.14 1.11 -0.62 -1.23 0.00 0.00 174.94 174.29 2ami s ASP 64 N 1.20 4.89 0.25 3.58 2.15 -1.26 -0.53 116.67 126.95 2ami s ASP 64 Ca -0.05 1.99 -0.05 0.00 0.43 0.00 0.00 52.55 54.87 2ami s ASP 64 Cb -0.20 -2.55 0.49 0.00 -0.30 0.00 0.00 42.92 40.36 2ami s ASP 64 CO -0.03 -1.78 1.64 0.15 -0.17 0.00 0.00 175.17 174.98 2ami h PHE 65 N -0.25 0.04 -0.65 -5.34 3.57 -1.99 0.11 116.94 112.42 2ami h PHE 65 Ca -0.46 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.12 2ami h PHE 65 Cb 1.25 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 40.05 2ami h PHE 65 CO 0.55 -0.23 0.40 0.93 -2.23 0.00 0.00 178.31 177.73 2ami h GLU 66 N 0.13 0.76 -0.47 1.11 5.08 -1.97 0.17 114.58 119.39 2ami h GLU 66 Ca 0.44 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.70 2ami h GLU 66 Cb 0.79 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2ami h GLU 66 CO -0.66 0.50 0.08 0.93 -1.00 0.00 0.00 179.01 178.86 2ami h GLU 67 N 0.78 0.78 -0.17 2.33 5.08 -1.33 0.99 114.58 123.04 2ami h GLU 67 Ca 0.26 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2ami h GLU 67 Cb 0.04 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2ami h GLU 67 CO -0.11 0.78 0.05 0.35 -1.00 0.00 0.00 179.01 179.08 2ami h PHE 68 N 0.65 0.09 -0.78 4.33 3.57 -0.29 0.24 116.94 124.74 2ami h PHE 68 Ca 0.14 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.69 2ami h PHE 68 Cb 0.38 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.06 2ami h PHE 68 CO 0.03 0.04 0.49 1.25 -2.23 0.00 0.00 178.31 177.89 2ami h LEU 69 N 0.13 0.79 -0.37 0.59 6.46 -0.49 0.34 115.31 122.76 2ami h LEU 69 Ca 0.08 0.00 0.04 0.00 -0.12 0.00 0.00 57.88 57.88 2ami h LEU 69 Cb 0.06 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 39.78 2ami h LEU 69 CO -0.09 0.54 0.13 0.74 -0.62 0.00 0.00 178.44 179.14 2ami h THR 70 N 0.94 0.90 -0.37 1.05 2.02 -0.08 0.19 112.91 117.56 2ami h THR 70 Ca 0.32 -0.10 0.06 0.00 0.77 0.00 0.00 66.41 67.46 2ami h THR 70 Cb 0.06 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 67.01 2ami h THR 70 CO -0.13 0.05 0.07 -0.03 0.37 0.00 0.00 175.52 175.85 2ami h MET 71 N 0.29 0.18 -0.35 6.66 1.85 -0.13 0.11 114.93 123.54 2ami h MET 71 Ca 0.17 -0.01 0.04 0.00 -0.61 0.00 0.00 59.70 59.28 2ami h MET 71 Cb 0.14 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.09 2ami h MET 71 CO -0.17 0.12 0.14 0.52 -0.40 0.00 0.00 176.91 177.12 2ami h MET 72 N 0.19 0.29 -0.45 0.39 2.07 -0.30 0.37 114.93 117.48 2ami h MET 72 Ca 0.18 -0.02 0.04 0.00 -2.07 0.00 0.00 59.70 57.83 2ami h MET 72 Cb 0.21 -0.07 -0.04 0.00 -1.87 0.00 0.00 31.60 29.83 2ami h MET 72 CO -0.24 0.19 0.22 1.15 1.07 0.00 0.00 176.91 179.30 2ami h THR 73 N 0.30 0.95 -0.62 2.22 2.02 -0.07 0.14 112.91 117.85 2ami h THR 73 Ca 0.16 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 2ami h THR 73 Cb 0.11 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 2ami h THR 73 CO -0.15 0.08 0.33 0.00 0.37 0.00 0.00 175.52 176.15 2ami h ALA 74 N 1.25 0.79 -0.27 6.16 0.00 -0.23 -3.01 119.26 123.96 2ami h ALA 74 Ca 0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2ami h ALA 74 Cb 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2ami h ALA 74 CO -0.15 0.32 -0.00 -0.22 0.00 0.00 0.00 179.25 179.20 2ami h LYS 75 N 0.84 0.48 0.00 0.00 3.64 -0.44 -3.51 116.57 117.58 2ami h LYS 75 Ca 0.22 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2ami h LYS 75 Cb 0.07 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2ami h LYS 75 CO -0.03 0.64 0.00 -0.12 -2.27 0.00 0.00 179.45 177.67