#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ami n VAL 2 N 0.00 3.72 0.00 1.55 0.24 -1.26 -4.62 118.33 117.96 2ami n VAL 2 Ca 0.00 -2.21 0.00 0.00 -2.04 0.00 0.00 64.34 60.09 2ami n VAL 2 Cb 0.00 -2.45 0.00 0.00 -1.47 0.00 0.00 33.84 29.92 2ami n VAL 2 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ami n GLY 3 N 3.59 1.10 3.62 7.63 0.00 -1.26 -4.87 105.19 115.01 2ami n GLY 3 Ca 0.67 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 46.25 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 3.83 1.01 0.99 1.43 -1.26 -5.00 118.68 119.68 2ami s LEU 4 Ca 0.00 2.01 -0.13 0.00 -1.03 0.00 0.00 54.13 54.99 2ami s LEU 4 Cb 0.00 -3.52 0.20 0.00 0.03 0.00 0.00 46.19 42.89 2ami s LEU 4 CO 0.00 -1.53 1.10 0.42 0.23 0.00 0.00 176.35 176.57 2ami s THR 5 N 6.41 1.99 0.36 5.49 -4.23 -1.26 -0.77 115.64 123.63 2ami s THR 5 Ca 0.89 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 61.47 2ami s THR 5 Cb -0.33 -2.50 0.31 0.00 1.34 0.00 0.00 72.50 71.31 2ami s THR 5 CO 0.35 0.00 1.91 -0.33 -0.54 0.00 0.00 174.62 176.02 2ami h GLU 6 N -1.94 0.71 -0.16 3.99 3.07 -1.98 0.82 114.58 119.08 2ami h GLU 6 Ca -0.55 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 58.22 2ami h GLU 6 Cb 1.33 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 29.08 2ami h GLU 6 CO 0.58 0.47 -0.11 0.93 -1.40 0.00 0.00 179.01 179.48 2ami h GLU 7 N 0.73 0.36 -0.72 2.33 3.07 -1.99 0.72 114.58 119.07 2ami h GLU 7 Ca 0.38 -0.17 0.03 0.00 -0.50 0.00 0.00 59.36 59.11 2ami h GLU 7 Cb 0.50 -0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.36 2ami h GLU 7 CO -0.15 0.70 0.45 1.96 -1.40 0.00 0.00 179.01 180.57 2ami h GLN 8 N 0.02 0.85 -0.42 2.33 7.50 -1.81 0.40 115.11 123.98 2ami h GLN 8 Ca 0.03 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.13 2ami h GLN 8 Cb 0.61 -0.19 -0.02 0.00 0.05 0.00 0.00 27.48 27.93 2ami h GLN 8 CO 0.03 0.56 0.27 0.87 -1.50 0.00 0.00 178.83 179.06 2ami h LYS 9 N 0.87 0.56 0.03 1.46 1.57 -0.62 0.12 116.57 120.56 2ami h LYS 9 Ca 0.30 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.06 2ami h LYS 9 Cb 0.04 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 2ami h LYS 9 CO -0.12 0.39 -0.26 1.96 -0.57 0.00 0.00 179.45 180.84 2ami h GLN 10 N 0.56 -0.41 -0.52 3.15 4.20 -0.43 0.70 115.11 122.37 2ami h GLN 10 Ca 0.15 0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.97 2ami h GLN 10 Cb -0.04 0.09 -0.07 0.00 0.30 0.00 0.00 27.48 27.77 2ami h GLN 10 CO -0.03 -0.27 0.16 0.93 -0.67 0.00 0.00 178.83 178.94 2ami h GLU 11 N -0.42 0.31 -0.42 1.46 5.08 -0.54 0.12 114.58 120.16 2ami h GLU 11 Ca 0.05 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2ami h GLU 11 Cb 0.49 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2ami h GLU 11 CO -0.21 0.20 0.27 0.82 -1.00 0.00 0.00 179.01 179.09 2ami h ILE 12 N 0.31 1.08 -0.41 3.13 2.04 -0.48 0.62 117.51 123.82 2ami h ILE 12 Ca 0.26 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.93 2ami h ILE 12 Cb 0.31 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2ami h ILE 12 CO -0.29 0.10 0.27 -0.09 0.00 0.00 0.00 178.15 178.13 2ami h ARG 13 N 0.54 0.54 0.01 2.37 9.65 0.21 0.13 114.38 127.84 2ami h ARG 13 Ca 0.16 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 59.02 2ami h ARG 13 Cb -0.04 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.40 2ami h ARG 13 CO -0.05 0.36 -0.12 0.93 2.80 0.00 0.00 179.97 183.90 2ami h GLU 14 N 0.55 -0.19 -0.29 0.20 5.08 -0.47 0.64 114.58 120.10 2ami h GLU 14 Ca 0.15 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.57 2ami h GLU 14 Cb -0.05 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 2ami h GLU 14 CO -0.03 -0.13 -0.02 0.00 -1.00 0.00 0.00 179.01 177.83 2ami h ALA 15 N 0.75 0.24 0.11 3.43 0.00 -0.65 0.34 119.26 123.49 2ami h ALA 15 Ca 0.04 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2ami h ALA 15 Cb 0.25 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 2ami h ALA 15 CO -0.11 -0.43 -0.40 0.35 0.00 0.00 0.00 179.25 178.66 2ami h PHE 16 N 0.06 -1.13 -0.34 0.00 3.57 -0.40 0.57 116.94 119.28 2ami h PHE 16 Ca 0.14 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.74 2ami h PHE 16 Cb 0.19 0.48 -0.07 0.00 2.79 0.00 0.00 35.95 39.34 2ami h PHE 16 CO -0.23 -0.50 -0.12 0.22 -2.23 0.00 0.00 178.31 175.45 2ami h ASP 17 N -0.63 -0.42 0.28 0.41 1.82 -0.56 0.15 116.42 117.48 2ami h ASP 17 Ca 0.03 0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 2ami h ASP 17 Cb 0.66 0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.91 2ami h ASP 17 CO -0.24 -0.15 -0.26 0.25 -1.61 0.00 0.00 179.24 177.23 2ami h LEU 18 N -0.05 -0.68 -1.65 2.28 6.46 -0.60 -2.54 115.31 118.54 2ami h LEU 18 Ca 0.17 0.06 0.01 0.00 -0.12 0.00 0.00 57.88 58.00 2ami h LEU 18 Cb 0.31 0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.45 2ami h LEU 18 CO -0.38 -0.38 0.25 -0.26 -0.62 0.00 0.00 178.44 177.05 2ami h PHE 19 N -0.56 0.45 0.00 1.25 0.04 -0.43 -2.72 116.94 114.97 2ami h PHE 19 Ca -0.01 0.01 -0.17 0.00 2.80 0.00 0.00 57.97 60.60 2ami h PHE 19 Cb 0.51 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.47 2ami h PHE 19 CO -0.16 0.28 0.38 -3.47 -0.60 0.00 0.00 178.31 174.75 2ami n ASP 20 N -4.48 3.62 -0.28 2.17 2.03 0.50 -4.63 116.55 115.47 2ami n ASP 20 Ca 0.03 -2.15 0.14 0.00 0.52 0.00 0.00 54.79 53.33 2ami n ASP 20 Cb 0.07 -0.93 0.41 0.00 -0.72 0.00 0.00 41.12 39.95 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 2.53 0.76 0.00 5.18 1.35 -1.62 0.92 112.91 122.03 2ami h THR 21 Ca 0.19 -0.21 -0.01 0.00 -0.55 0.00 0.00 66.41 65.82 2ami h THR 21 Cb 0.83 0.08 -0.00 0.00 -1.73 0.00 0.00 68.15 67.33 2ami h THR 21 CO 0.51 0.11 -0.04 -0.78 -0.25 0.00 0.00 175.52 175.07 2ami h ASP 22 N 0.62 0.00 -0.33 5.36 3.58 -1.90 -3.46 116.42 120.30 2ami h ASP 22 Ca 0.48 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.84 2ami h ASP 22 Cb 0.89 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.92 2ami h ASP 22 CO -0.23 0.04 -0.09 0.61 -2.88 0.00 0.00 179.24 176.69 2ami n GLY 23 N -0.67 0.57 0.02 -0.78 0.00 0.32 -4.93 105.19 99.72 2ami n GLY 23 Ca -0.02 -0.82 0.11 0.00 0.00 0.00 0.00 46.02 45.29 2ami n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ami n SER 24 N 1.25 0.13 -0.65 1.61 3.41 -1.26 -4.89 113.62 113.23 2ami n SER 24 Ca -0.05 0.52 -0.08 0.00 -0.26 0.00 0.00 58.87 59.00 2ami n SER 24 Cb 0.26 -0.55 -0.04 0.00 -0.26 0.00 0.00 64.21 63.61 2ami n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ami n GLY 25 N 0.75 0.86 3.43 5.00 0.00 -1.26 -4.91 105.19 109.06 2ami n GLY 25 Ca 0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.84 -0.76 -0.17 2.61 -4.23 -1.26 -4.36 115.64 105.63 2ami s THR 26 Ca 0.00 0.09 -0.29 0.00 -1.18 0.00 0.00 61.69 60.31 2ami s THR 26 Cb 0.00 -0.81 -0.00 0.00 1.34 0.00 0.00 72.50 73.03 2ami s THR 26 CO 0.00 0.04 1.07 -0.63 -0.54 0.00 0.00 174.62 174.56 2ami s ILE 27 N 2.67 4.62 0.42 2.99 1.01 0.29 -4.77 121.20 128.42 2ami s ILE 27 Ca -0.04 1.93 -0.24 0.00 0.00 0.00 0.00 60.65 62.30 2ami s ILE 27 Cb -0.12 -4.24 -0.08 0.00 0.01 0.00 0.00 42.46 38.03 2ami s ILE 27 CO -0.15 -0.10 1.13 -0.62 0.00 0.00 0.00 174.94 175.20 2ami s ASP 28 N 1.29 6.49 0.25 3.58 -1.08 -1.26 -0.57 116.67 125.37 2ami s ASP 28 Ca 0.48 2.24 -0.02 0.00 -0.52 0.00 0.00 52.55 54.73 2ami s ASP 28 Cb -0.18 -2.60 0.52 0.00 -1.46 0.00 0.00 42.92 39.20 2ami s ASP 28 CO 0.12 -0.69 1.33 0.00 0.52 0.00 0.00 175.17 176.45 2ami n ALA 29 N -0.13 0.32 -0.04 3.66 0.00 -1.26 -0.26 120.51 122.80 2ami n ALA 29 Ca 0.05 0.92 -0.09 0.00 0.00 0.00 0.00 53.44 54.32 2ami n ALA 29 Cb 0.48 -0.61 -0.03 0.00 0.00 0.00 0.00 19.45 19.28 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 0.17 -0.76 0.00 1.57 -1.97 0.19 116.57 115.77 2ami h LYS 30 Ca 0.46 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.24 2ami h LYS 30 Cb 0.85 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.08 2ami h LYS 30 CO -0.84 0.11 0.50 0.93 -0.57 0.00 0.00 179.45 179.59 2ami h GLU 31 N 0.18 1.00 -0.77 3.15 5.08 -0.96 0.41 114.58 122.68 2ami h GLU 31 Ca 0.08 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2ami h GLU 31 Cb 0.04 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 2ami h GLU 31 CO -0.07 0.66 0.35 1.25 -1.00 0.00 0.00 179.01 180.20 2ami h LEU 32 N 1.03 1.02 -0.22 1.33 5.85 -0.40 0.93 115.31 124.85 2ami h LEU 32 Ca 0.28 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2ami h LEU 32 Cb -0.12 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.64 2ami h LEU 32 CO -0.06 0.89 0.14 0.50 -0.34 0.00 0.00 178.44 179.57 2ami h LYS 33 N 1.09 0.30 -0.35 1.25 3.64 -0.02 0.13 116.57 122.61 2ami h LYS 33 Ca 0.26 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.68 2ami h LYS 33 Cb 0.15 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.85 2ami h LYS 33 CO -0.03 0.21 0.00 0.28 -2.27 0.00 0.00 179.45 177.64 2ami h VAL 34 N 0.29 0.75 -0.23 2.00 2.07 -0.54 0.12 116.25 120.71 2ami h VAL 34 Ca 0.08 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.62 2ami h VAL 34 Cb -0.02 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 2ami h VAL 34 CO -0.02 0.02 -0.13 0.00 0.02 0.00 0.00 177.57 177.46 2ami h ALA 35 N 1.30 0.05 -0.81 1.67 0.00 -0.39 0.35 119.26 121.43 2ami h ALA 35 Ca 0.17 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.19 2ami h ALA 35 Cb 0.23 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2ami h ALA 35 CO -0.28 -0.55 0.52 0.52 0.00 0.00 0.00 179.25 179.47 2ami h MET 36 N -0.11 1.01 -0.17 0.00 2.07 -0.17 0.22 114.93 117.78 2ami h MET 36 Ca 0.13 -0.06 0.03 0.00 -2.07 0.00 0.00 59.70 57.72 2ami h MET 36 Cb 0.30 -0.23 -0.02 0.00 -1.87 0.00 0.00 31.60 29.78 2ami h MET 36 CO -0.30 0.67 0.01 0.00 1.07 0.00 0.00 176.91 178.36 2ami h ARG 37 N 1.04 0.07 -0.94 1.72 2.47 -0.25 0.78 114.38 119.27 2ami h ARG 37 Ca 0.31 -0.00 0.05 0.00 -1.26 0.00 0.00 59.98 59.08 2ami h ARG 37 Cb -0.05 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.20 2ami h ARG 37 CO -0.09 0.05 0.61 0.00 0.56 0.00 0.00 179.97 181.10 2ami h ALA 38 N 1.13 1.44 0.00 0.04 0.00 -0.01 0.85 119.26 122.72 2ami h ALA 38 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2ami h ALA 38 Cb 0.09 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2ami h ALA 38 CO -0.12 0.44 0.00 1.28 0.00 0.00 0.00 179.25 180.85 2ami n LEU 39 N -4.47 0.00 -0.94 0.00 4.77 0.69 -4.88 117.00 112.17 2ami n LEU 39 Ca 0.14 0.09 -0.09 0.00 -0.03 0.00 0.00 56.01 56.12 2ami n LEU 39 Cb 0.15 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 2ami n LEU 39 CO 0.33 -0.04 -0.11 0.61 -1.33 0.00 0.00 177.39 176.86 2ami n GLY 40 N 0.26 0.31 3.89 -0.72 0.00 0.29 -5.03 105.19 104.18 2ami n GLY 40 Ca 0.13 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.42 3.35 -0.67 1.61 0.40 0.19 -5.01 117.98 115.42 2ami s PHE 41 Ca 0.00 1.02 -0.09 0.00 -0.60 0.00 0.00 56.93 57.26 2ami s PHE 41 Cb 0.00 -2.99 0.17 0.00 0.51 0.00 0.00 43.02 40.71 2ami s PHE 41 CO 0.00 -1.09 0.55 -1.21 0.70 0.00 0.00 175.22 174.18 2ami s GLU 42 N -5.30 2.97 -1.21 0.44 2.02 -1.26 -4.50 118.70 111.86 2ami s GLU 42 Ca 0.57 -2.33 -0.19 0.00 0.02 0.00 0.00 54.97 53.04 2ami s GLU 42 Cb -0.11 -4.06 -0.02 0.00 0.10 0.00 0.00 34.13 30.04 2ami s GLU 42 CO 0.51 -1.23 1.93 -0.35 0.02 0.00 0.00 175.26 176.15 2ami n PRO 43 N 4.01 2.42 -1.66 0.39 -0.04 -1.26 -4.90 135.00 133.97 2ami n PRO 43 Ca 0.06 -2.66 -0.34 0.00 -0.04 0.00 0.00 63.50 60.52 2ami n PRO 43 Cb 0.42 -3.40 -0.03 0.00 -0.04 0.00 0.00 33.50 30.45 2ami n PRO 43 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2ami s LYS 44 N 4.67 2.14 0.11 0.54 2.20 -1.26 -4.86 119.74 123.28 2ami s LYS 44 Ca 0.56 1.12 -0.14 0.00 -0.36 0.00 0.00 55.97 57.15 2ami s LYS 44 Cb 0.07 -4.59 0.05 0.00 -1.51 0.00 0.00 37.83 31.86 2ami s LYS 44 CO 0.06 -3.32 0.90 1.63 -0.36 0.00 0.00 175.35 174.27 2ami n LYS 45 N 9.02 -0.20 -0.13 4.03 5.02 -1.26 -0.23 118.16 134.41 2ami n LYS 45 Ca 0.35 0.89 -0.04 0.00 -2.02 0.00 0.00 58.31 57.49 2ami n LYS 45 Cb 0.53 -1.32 0.02 0.00 -0.02 0.00 0.00 35.03 34.24 2ami n LYS 45 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2ami h GLU 46 N 0.00 0.01 -0.28 1.97 5.08 -2.00 0.11 114.58 119.46 2ami h GLU 46 Ca 0.15 -0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.36 2ami h GLU 46 Cb 0.29 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2ami h GLU 46 CO -0.57 0.01 -0.38 0.93 -1.00 0.00 0.00 179.01 178.00 2ami h GLU 47 N 0.01 0.76 -0.43 2.33 4.39 -1.00 -2.94 114.58 117.70 2ami h GLU 47 Ca 0.20 -0.44 0.04 0.00 0.34 0.00 0.00 59.36 59.51 2ami h GLU 47 Cb 0.31 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.95 2ami h GLU 47 CO -0.43 1.06 0.18 0.82 -1.16 0.00 0.00 179.01 179.49 2ami h ILE 48 N 0.51 0.92 -0.10 3.13 1.08 -0.41 0.11 117.51 122.75 2ami h ILE 48 Ca 0.03 -0.13 0.04 0.00 -0.39 0.00 0.00 64.86 64.41 2ami h ILE 48 Cb 0.97 0.51 -0.04 0.00 -3.07 0.00 0.00 36.82 35.20 2ami h ILE 48 CO 0.09 0.07 -0.13 0.11 -0.69 0.00 0.00 178.15 177.60 2ami h LYS 49 N 0.38 -0.16 0.11 2.37 1.57 -0.78 0.12 116.57 120.18 2ami h LYS 49 Ca 0.19 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2ami h LYS 49 Cb 0.14 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 2ami h LYS 49 CO -0.16 -0.11 -0.08 0.87 -0.57 0.00 0.00 179.45 179.40 2ami h LYS 50 N -0.16 -0.18 -0.15 3.15 1.57 -1.27 0.26 116.57 119.77 2ami h LYS 50 Ca 0.08 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.92 2ami h LYS 50 Cb 0.28 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.56 2ami h LYS 50 CO -0.20 -0.12 -0.41 1.98 -0.57 0.00 0.00 179.45 180.13 2ami h MET 51 N -0.19 -0.45 -0.48 3.15 4.05 -0.54 0.56 114.93 121.02 2ami h MET 51 Ca -0.01 0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.54 2ami h MET 51 Cb 0.17 0.10 -0.09 0.00 -0.80 0.00 0.00 31.60 30.98 2ami h MET 51 CO -0.00 -0.30 -0.10 0.82 0.23 0.00 0.00 176.91 177.56 2ami h ILE 52 N -0.47 0.54 -0.35 1.77 2.04 -0.57 0.56 117.51 121.03 2ami h ILE 52 Ca 0.08 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.96 2ami h ILE 52 Cb 0.61 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2ami h ILE 52 CO -0.41 0.00 0.18 0.77 0.00 0.00 0.00 178.15 178.70 2ami h SER 53 N 0.02 0.28 -0.64 1.72 4.64 0.17 0.28 113.55 120.02 2ami h SER 53 Ca 0.23 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2ami h SER 53 Cb 0.36 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 2ami h SER 53 CO -0.48 0.21 0.40 -0.33 -0.87 0.00 0.00 176.83 175.76 2ami h GLU 54 N 0.38 0.86 -0.12 4.77 5.08 -0.14 -2.53 114.58 122.88 2ami h GLU 54 Ca 0.14 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.29 2ami h GLU 54 Cb 0.04 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2ami h GLU 54 CO -0.09 0.60 -0.58 0.82 -1.00 0.00 0.00 179.01 178.76 2ami h ILE 55 N 0.87 1.36 0.00 3.13 1.08 -0.50 -3.37 117.51 120.07 2ami h ILE 55 Ca 0.23 -1.89 -0.68 0.00 -0.39 0.00 0.00 64.86 62.14 2ami h ILE 55 Cb -0.05 1.90 -0.01 0.00 -3.07 0.00 0.00 36.82 35.58 2ami h ILE 55 CO -0.05 0.57 3.18 -0.67 -0.69 0.00 0.00 178.15 180.49 2ami n ASP 56 N -3.91 4.85 -0.35 1.72 -0.08 0.96 -4.73 116.55 115.00 2ami n ASP 56 Ca -0.03 -2.74 0.32 0.00 -1.51 0.00 0.00 54.79 50.83 2ami n ASP 56 Cb 0.61 -1.55 0.65 0.00 2.34 0.00 0.00 41.12 43.17 2ami n ASP 56 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2ami h LYS 57 N 6.02 0.15 -0.63 -0.67 1.79 -1.76 0.10 116.57 121.57 2ami h LYS 57 Ca 0.62 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.08 2ami h LYS 57 Cb 0.54 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 2ami h LYS 57 CO 1.86 0.10 0.00 -0.25 -1.08 0.00 0.00 179.45 180.08 2ami n ASP 58 N -4.40 3.52 -3.92 0.86 8.00 -1.26 -4.95 116.55 114.40 2ami n ASP 58 Ca 0.28 -1.99 -0.33 0.00 0.71 0.00 0.00 54.79 53.45 2ami n ASP 58 Cb 1.17 -0.42 -0.06 0.00 -0.02 0.00 0.00 41.12 41.78 2ami n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ami n GLY 59 N 1.55 -0.30 1.12 0.44 0.00 0.36 -4.80 105.19 103.56 2ami n GLY 59 Ca 0.22 0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.82 3.14 -1.27 1.61 7.64 -1.26 -4.85 113.62 116.81 2ami n SER 60 Ca 0.07 -2.41 -0.14 0.00 1.01 0.00 0.00 58.87 57.40 2ami n SER 60 Cb 0.37 -0.57 -0.06 0.00 -1.01 0.00 0.00 64.21 62.94 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 0.34 1.36 3.50 0.23 0.00 -1.26 -4.87 105.19 104.49 2ami n GLY 61 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.18 0.00 -0.41 2.61 -4.23 -1.26 -4.44 115.64 105.73 2ami s THR 62 Ca 0.00 -0.15 -0.15 0.00 -1.18 0.00 0.00 61.69 60.21 2ami s THR 62 Cb 0.00 -1.16 0.02 0.00 1.34 0.00 0.00 72.50 72.70 2ami s THR 62 CO 0.00 0.00 0.30 -0.63 -0.54 0.00 0.00 174.62 173.75 2ami s ILE 63 N -3.66 5.25 0.72 2.99 -1.09 0.26 -4.81 121.20 120.87 2ami s ILE 63 Ca 0.03 -0.64 -0.12 0.00 -2.23 0.00 0.00 60.65 57.69 2ami s ILE 63 Cb -0.02 -3.93 0.03 0.00 -1.58 0.00 0.00 42.46 36.96 2ami s ILE 63 CO -0.09 -0.31 1.10 -0.62 -1.23 0.00 0.00 174.94 173.78 2ami s ASP 64 N 1.69 4.80 0.23 3.58 2.15 -1.26 -0.54 116.67 127.30 2ami s ASP 64 Ca 0.05 1.88 -0.09 0.00 0.43 0.00 0.00 52.55 54.82 2ami s ASP 64 Cb -0.19 -2.53 0.36 0.00 -0.30 0.00 0.00 42.92 40.26 2ami s ASP 64 CO 0.10 -1.84 1.66 0.15 -0.17 0.00 0.00 175.17 175.07 2ami h PHE 65 N -0.65 -0.01 -0.85 -5.34 3.57 -1.99 0.87 116.94 112.54 2ami h PHE 65 Ca -0.45 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.09 2ami h PHE 65 Cb 1.23 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 40.04 2ami h PHE 65 CO 0.57 -0.18 0.47 0.93 -2.23 0.00 0.00 178.31 177.87 2ami h GLU 66 N 0.13 1.18 -0.27 1.11 5.08 -1.97 0.17 114.58 120.02 2ami h GLU 66 Ca 0.36 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 2ami h GLU 66 Cb 0.60 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2ami h GLU 66 CO -0.57 0.86 0.03 0.93 -1.00 0.00 0.00 179.01 179.26 2ami h GLU 67 N 1.18 0.45 -0.37 2.33 5.08 -1.48 0.65 114.58 122.42 2ami h GLU 67 Ca 0.30 -0.13 0.04 0.00 -1.00 0.00 0.00 59.36 58.57 2ami h GLU 67 Cb 0.02 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 2ami h GLU 67 CO -0.05 0.59 0.15 0.35 -1.00 0.00 0.00 179.01 179.05 2ami h PHE 68 N 0.25 0.27 -0.23 4.33 3.57 -0.54 0.11 116.94 124.71 2ami h PHE 68 Ca 0.08 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.63 2ami h PHE 68 Cb 0.37 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 2ami h PHE 68 CO 0.03 0.13 0.03 1.25 -2.23 0.00 0.00 178.31 177.52 2ami h LEU 69 N 0.32 -0.02 -0.31 0.59 5.85 -0.48 0.15 115.31 121.41 2ami h LEU 69 Ca 0.16 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.97 2ami h LEU 69 Cb 0.12 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 2ami h LEU 69 CO -0.15 0.02 0.03 0.74 -0.34 0.00 0.00 178.44 178.75 2ami h THR 70 N 0.12 0.81 -0.08 1.05 2.02 -0.42 0.90 112.91 117.31 2ami h THR 70 Ca 0.10 -0.05 0.04 0.00 0.77 0.00 0.00 66.41 67.28 2ami h THR 70 Cb 0.11 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 67.13 2ami h THR 70 CO -0.15 0.02 -0.27 -0.03 0.37 0.00 0.00 175.52 175.47 2ami h MET 71 N 0.13 -0.35 -0.28 6.66 1.85 -0.26 0.22 114.93 122.90 2ami h MET 71 Ca 0.15 0.02 0.05 0.00 -0.61 0.00 0.00 59.70 59.32 2ami h MET 71 Cb 0.18 0.08 -0.05 0.00 0.43 0.00 0.00 31.60 32.24 2ami h MET 71 CO -0.22 -0.23 -0.04 0.52 -0.40 0.00 0.00 176.91 176.53 2ami h MET 72 N -0.36 0.03 -0.81 0.39 2.07 -0.61 0.11 114.93 115.75 2ami h MET 72 Ca 0.09 -0.00 0.08 0.00 -2.07 0.00 0.00 59.70 57.79 2ami h MET 72 Cb 0.49 -0.01 -0.05 0.00 -1.87 0.00 0.00 31.60 30.16 2ami h MET 72 CO -0.29 0.02 0.53 1.15 1.07 0.00 0.00 176.91 179.39 2ami h THR 73 N 0.03 1.01 -0.16 2.22 2.02 -0.17 -0.20 112.91 117.66 2ami h THR 73 Ca 0.13 -0.29 -0.11 0.00 0.77 0.00 0.00 66.41 66.92 2ami h THR 73 Cb 0.19 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 2ami h THR 73 CO -0.26 0.15 -0.31 0.00 0.37 0.00 0.00 175.52 175.47 2ami h ALA 74 N 1.57 0.26 -0.24 6.16 0.00 0.21 -3.33 119.26 123.90 2ami h ALA 74 Ca 0.36 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2ami h ALA 74 Cb 0.31 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2ami h ALA 74 CO -0.13 0.29 0.08 0.87 0.00 0.00 0.00 179.25 180.36 2ami h LYS 75 N 0.13 0.37 0.00 0.00 1.57 -0.02 -3.51 116.57 115.12 2ami h LYS 75 Ca 0.01 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2ami h LYS 75 Cb 0.90 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2ami h LYS 75 CO 0.07 0.44 0.00 0.00 -0.57 0.00 0.00 179.45 179.39