#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 0.42 0.00 8.89 0.24 -1.26 -0.95 118.33 125.67 2ami n VAL 2 Ca 0.00 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 2ami n VAL 2 Cb 0.00 -1.61 0.00 0.00 -1.47 0.00 0.00 33.84 30.76 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 4.15 3.40 3.70 7.63 0.00 -1.26 -5.09 105.19 117.73 2ami n GLY 3 Ca 0.23 -0.85 -0.44 0.00 0.00 0.00 0.00 46.02 44.96 2ami n GLY 3 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ami n LEU 4 N 0.00 3.65 -4.74 0.99 4.77 -0.12 -4.95 117.00 116.60 2ami n LEU 4 Ca 0.00 1.08 -0.33 0.00 -0.03 0.00 0.00 56.01 56.73 2ami n LEU 4 Cb 0.00 -1.51 0.08 0.00 -2.33 0.00 0.00 43.42 39.66 2ami n LEU 4 CO 0.00 -0.04 0.76 0.42 -1.33 0.00 0.00 177.39 177.20 2ami s THR 5 N 0.85 2.68 0.39 -5.08 -4.23 -1.26 -4.77 115.64 104.21 2ami s THR 5 Ca 0.75 0.31 0.13 0.00 -1.18 0.00 0.00 61.69 61.70 2ami s THR 5 Cb -0.58 -2.82 0.35 0.00 1.34 0.00 0.00 72.50 70.79 2ami s THR 5 CO 0.37 -0.20 1.87 -0.33 -0.54 0.00 0.00 174.62 175.80 2ami h GLU 6 N -0.31 0.54 0.64 3.99 3.07 -1.98 0.99 114.58 121.51 2ami h GLU 6 Ca -0.47 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.33 2ami h GLU 6 Cb 1.27 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 29.06 2ami h GLU 6 CO 0.51 0.36 -0.41 0.93 -1.40 0.00 0.00 179.01 178.99 2ami h GLU 7 N 0.55 -0.96 -0.52 2.33 5.08 -1.99 0.19 114.58 119.26 2ami h GLU 7 Ca 0.45 0.07 0.09 0.00 -1.00 0.00 0.00 59.36 58.97 2ami h GLU 7 Cb 0.89 0.22 -0.08 0.00 0.50 0.00 0.00 28.75 30.29 2ami h GLU 7 CO -0.19 -0.64 0.08 1.96 -1.00 0.00 0.00 179.01 179.22 2ami h GLN 8 N -1.00 0.20 -0.60 2.33 4.20 -1.64 -0.27 115.11 118.34 2ami h GLN 8 Ca -0.08 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.66 2ami h GLN 8 Cb 0.81 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.50 2ami h GLN 8 CO 0.07 0.13 0.34 0.87 -0.67 0.00 0.00 178.83 179.57 2ami h LYS 9 N 0.21 0.64 -0.28 1.46 1.57 -0.62 0.47 116.57 120.02 2ami h LYS 9 Ca 0.26 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2ami h LYS 9 Cb 0.38 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2ami h LYS 9 CO -0.37 0.42 0.16 -0.56 -0.57 0.00 0.00 179.45 178.54 2ami h GLN 10 N 0.65 0.38 -0.20 3.15 -0.00 0.27 0.12 115.11 119.49 2ami h GLN 10 Ca 0.26 -0.04 0.02 0.00 -0.00 0.00 0.00 58.65 58.89 2ami h GLN 10 Cb 0.11 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.48 27.49 2ami h GLN 10 CO -0.14 0.30 0.05 0.93 -0.00 0.00 0.00 178.83 179.97 2ami h GLU 11 N 0.35 0.13 -0.89 0.06 4.39 -0.52 0.13 114.58 118.23 2ami h GLU 11 Ca 0.10 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.83 2ami h GLU 11 Cb 0.02 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.59 2ami h GLU 11 CO -0.02 0.09 0.57 0.82 -1.16 0.00 0.00 179.01 179.32 2ami h ILE 12 N 0.14 1.14 -0.21 3.13 2.04 -0.68 0.40 117.51 123.47 2ami h ILE 12 Ca 0.09 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 2ami h ILE 12 Cb 0.07 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.07 2ami h ILE 12 CO -0.10 0.20 0.11 -0.09 0.00 0.00 0.00 178.15 178.27 2ami h ARG 13 N 1.11 0.29 -0.22 2.37 9.65 0.04 0.99 114.38 128.61 2ami h ARG 13 Ca 0.36 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 59.24 2ami h ARG 13 Cb 0.02 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.51 2ami h ARG 13 CO -0.12 0.29 0.01 0.93 2.80 0.00 0.00 179.97 183.87 2ami h GLU 14 N 0.22 0.08 -0.30 0.20 5.08 -0.14 0.51 114.58 120.23 2ami h GLU 14 Ca 0.07 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 2ami h GLU 14 Cb 0.08 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 2ami h GLU 14 CO -0.01 0.05 -0.07 0.00 -1.00 0.00 0.00 179.01 177.98 2ami h ALA 15 N 1.18 0.20 0.04 3.43 0.00 -0.77 0.83 119.26 124.17 2ami h ALA 15 Ca 0.10 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.15 2ami h ALA 15 Cb 0.12 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2ami h ALA 15 CO -0.17 -0.46 -0.42 0.35 0.00 0.00 0.00 179.25 178.54 2ami h PHE 16 N -0.00 -1.20 -0.50 0.00 3.57 -0.27 0.32 116.94 118.86 2ami h PHE 16 Ca 0.14 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.72 2ami h PHE 16 Cb 0.22 0.52 -0.04 0.00 2.79 0.00 0.00 35.95 39.44 2ami h PHE 16 CO -0.29 -0.51 0.26 -0.44 -2.23 0.00 0.00 178.31 175.11 2ami h ASP 17 N -0.60 0.39 0.07 0.41 3.32 -0.54 0.12 116.42 119.58 2ami h ASP 17 Ca 0.04 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.13 2ami h ASP 17 Cb 0.67 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 2ami h ASP 17 CO -0.29 0.27 -0.19 0.25 -1.72 0.00 0.00 179.24 177.55 2ami h LEU 18 N 0.52 -0.55 -1.27 1.55 6.46 -0.53 -2.49 115.31 119.00 2ami h LEU 18 Ca 0.22 0.07 0.01 0.00 -0.12 0.00 0.00 57.88 58.05 2ami h LEU 18 Cb 0.11 0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 40.22 2ami h LEU 18 CO -0.14 -0.27 0.49 -0.26 -0.62 0.00 0.00 178.44 177.64 2ami h PHE 19 N -0.35 0.93 0.00 1.25 0.04 -0.35 -2.70 116.94 115.76 2ami h PHE 19 Ca 0.04 0.02 -0.45 0.00 2.80 0.00 0.00 57.97 60.38 2ami h PHE 19 Cb 0.39 -0.32 0.02 0.00 2.20 0.00 0.00 35.95 38.24 2ami h PHE 19 CO -0.20 0.59 2.90 -3.47 -0.60 0.00 0.00 178.31 177.53 2ami n ASP 20 N -4.42 5.96 -0.26 2.17 2.03 0.36 -4.63 116.55 117.76 2ami n ASP 20 Ca 0.08 -2.39 0.15 0.00 0.52 0.00 0.00 54.79 53.15 2ami n ASP 20 Cb 0.03 -1.22 0.43 0.00 -0.72 0.00 0.00 41.12 39.64 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 3.30 0.77 0.00 5.18 1.35 -1.59 0.90 112.91 122.83 2ami h THR 21 Ca 0.59 -0.20 -0.02 0.00 -0.55 0.00 0.00 66.41 66.24 2ami h THR 21 Cb 0.21 0.14 -0.00 0.00 -1.73 0.00 0.00 68.15 66.76 2ami h THR 21 CO 1.52 0.11 -0.08 -0.78 -0.25 0.00 0.00 175.52 176.04 2ami h ASP 22 N 0.58 0.00 -2.24 5.36 3.58 -1.90 -3.46 116.42 118.34 2ami h ASP 22 Ca 0.46 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.60 2ami h ASP 22 Cb 0.88 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.92 2ami h ASP 22 CO -0.20 0.08 -0.39 0.61 -2.88 0.00 0.00 179.24 176.45 2ami n GLY 23 N -0.66 -0.25 0.25 -0.78 0.00 0.31 -4.91 105.19 99.15 2ami n GLY 23 Ca -0.02 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 45.88 2ami n GLY 23 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ami h SER 24 N -0.07 0.00 0.00 1.61 4.64 -1.90 -3.46 113.55 114.37 2ami h SER 24 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2ami h SER 24 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2ami h SER 24 CO 0.43 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 177.15 2ami n GLY 25 N -0.41 0.51 2.96 -0.77 0.00 -1.26 -5.03 105.19 101.19 2ami n GLY 25 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.16 0.06 -0.24 2.61 -4.23 -1.26 -4.48 115.64 105.94 2ami s THR 26 Ca 0.00 -0.48 -0.26 0.00 -1.18 0.00 0.00 61.69 59.77 2ami s THR 26 Cb 0.00 -0.19 0.00 0.00 1.34 0.00 0.00 72.50 73.65 2ami s THR 26 CO 0.00 -0.26 0.92 -0.63 -0.54 0.00 0.00 174.62 174.11 2ami s ILE 27 N -0.79 4.77 0.47 2.99 1.01 0.13 -4.76 121.20 125.03 2ami s ILE 27 Ca -0.09 1.76 -0.23 0.00 0.00 0.00 0.00 60.65 62.10 2ami s ILE 27 Cb -0.05 -4.20 -0.07 0.00 0.01 0.00 0.00 42.46 38.15 2ami s ILE 27 CO -0.00 -0.12 1.20 -0.62 0.00 0.00 0.00 174.94 175.40 2ami s ASP 28 N 1.28 6.03 0.26 3.58 -1.08 -1.26 -0.03 116.67 125.45 2ami s ASP 28 Ca 0.39 2.39 -0.03 0.00 -0.52 0.00 0.00 52.55 54.78 2ami s ASP 28 Cb -0.15 -2.61 0.53 0.00 -1.46 0.00 0.00 42.92 39.23 2ami s ASP 28 CO 0.07 -1.02 1.37 0.00 0.52 0.00 0.00 175.17 176.11 2ami n ALA 29 N -0.55 0.32 -0.06 3.66 0.00 -0.52 -0.19 120.51 123.17 2ami n ALA 29 Ca 0.08 0.95 -0.08 0.00 0.00 0.00 0.00 53.44 54.38 2ami n ALA 29 Cb 0.47 -0.63 -0.02 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 0.21 -0.92 0.00 1.57 -1.91 0.11 116.57 115.63 2ami h LYS 30 Ca 0.47 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.24 2ami h LYS 30 Cb 0.86 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.08 2ami h LYS 30 CO -0.86 0.14 0.56 0.93 -0.57 0.00 0.00 179.45 179.65 2ami h GLU 31 N 0.22 1.24 -0.75 3.15 5.08 -0.91 0.31 114.58 122.92 2ami h GLU 31 Ca 0.11 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2ami h GLU 31 Cb 0.06 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 2ami h GLU 31 CO -0.10 0.86 0.31 1.25 -1.00 0.00 0.00 179.01 180.34 2ami h LEU 32 N 1.26 1.02 -0.26 1.33 5.85 -0.17 0.11 115.31 124.45 2ami h LEU 32 Ca 0.33 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 2ami h LEU 32 Cb -0.07 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.69 2ami h LEU 32 CO -0.06 0.90 0.15 0.50 -0.34 0.00 0.00 178.44 179.59 2ami h LYS 33 N 1.07 0.35 -0.33 1.25 3.64 -0.07 0.11 116.57 122.59 2ami h LYS 33 Ca 0.25 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.66 2ami h LYS 33 Cb 0.19 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 31.87 2ami h LYS 33 CO -0.02 0.29 -0.11 0.28 -2.27 0.00 0.00 179.45 177.61 2ami h VAL 34 N 0.32 0.61 -0.07 2.00 2.07 -0.62 0.91 116.25 121.47 2ami h VAL 34 Ca 0.09 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.65 2ami h VAL 34 Cb 0.03 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 2ami h VAL 34 CO -0.02 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 177.33 2ami h ALA 35 N 1.26 -0.27 -0.50 1.67 0.00 -0.42 0.32 119.26 121.32 2ami h ALA 35 Ca 0.16 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.15 2ami h ALA 35 Cb 0.29 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 2ami h ALA 35 CO -0.36 -0.72 0.22 0.52 0.00 0.00 0.00 179.25 178.91 2ami h MET 36 N -0.34 0.42 -0.20 0.00 2.07 -0.32 0.25 114.93 116.81 2ami h MET 36 Ca 0.08 -0.03 0.05 0.00 -2.07 0.00 0.00 59.70 57.74 2ami h MET 36 Cb 0.46 -0.10 -0.05 0.00 -1.87 0.00 0.00 31.60 30.04 2ami h MET 36 CO -0.27 0.28 -0.11 0.00 1.07 0.00 0.00 176.91 177.88 2ami h ARG 37 N 0.44 -0.10 -0.84 1.72 3.08 -0.41 0.76 114.38 119.03 2ami h ARG 37 Ca 0.23 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.35 2ami h ARG 37 Cb 0.19 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 2ami h ARG 37 CO -0.19 -0.06 0.55 0.00 -1.07 0.00 0.00 179.97 179.19 2ami h ALA 38 N 1.06 1.57 0.00 0.04 0.00 0.05 0.64 119.26 122.63 2ami h ALA 38 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ami h ALA 38 Cb 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2ami h ALA 38 CO -0.27 0.30 0.00 1.28 0.00 0.00 0.00 179.25 180.57 2ami n LEU 39 N -4.48 0.00 -0.23 0.00 4.77 0.77 -4.89 117.00 112.95 2ami n LEU 39 Ca 0.12 0.03 -0.02 0.00 -0.03 0.00 0.00 56.01 56.11 2ami n LEU 39 Cb 0.20 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 2ami n LEU 39 CO 0.33 -0.01 -0.03 0.61 -1.33 0.00 0.00 177.39 176.97 2ami n GLY 40 N 0.51 0.42 3.83 -0.72 0.00 0.22 -5.03 105.19 104.42 2ami n GLY 40 Ca 0.17 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.10 2.91 -0.35 1.61 0.40 0.16 -5.00 117.98 115.61 2ami s PHE 41 Ca 0.00 1.03 -0.07 0.00 -0.60 0.00 0.00 56.93 57.29 2ami s PHE 41 Cb 0.00 -3.20 0.04 0.00 0.51 0.00 0.00 43.02 40.37 2ami s PHE 41 CO 0.00 -1.73 0.12 -1.21 0.70 0.00 0.00 175.22 173.10 2ami s GLU 42 N -5.28 2.65 0.00 0.44 2.02 -1.26 -4.50 118.70 112.77 2ami s GLU 42 Ca 0.61 -1.17 -0.17 0.00 0.02 0.00 0.00 54.97 54.26 2ami s GLU 42 Cb -0.13 -3.50 -0.21 0.00 0.10 0.00 0.00 34.13 30.38 2ami s GLU 42 CO 0.53 -0.67 1.27 -2.30 0.02 0.00 0.00 175.26 174.11 2ami n PRO 43 N 4.84 0.00 -2.01 0.39 -0.02 -1.26 -4.85 135.00 132.09 2ami n PRO 43 Ca -0.12 -0.74 -0.26 0.00 -2.02 0.00 0.00 63.50 60.36 2ami n PRO 43 Cb 0.45 -2.20 -0.05 0.00 -0.02 0.00 0.00 33.50 31.67 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 5.90 2.47 0.14 -0.52 1.02 -1.26 -4.85 119.74 122.64 2ami s LYS 44 Ca 0.38 -0.21 -0.08 0.00 0.02 0.00 0.00 55.97 56.09 2ami s LYS 44 Cb 0.08 -5.03 0.19 0.00 -0.52 0.00 0.00 37.83 32.56 2ami s LYS 44 CO 0.19 -3.46 0.89 1.63 -0.92 0.00 0.00 175.35 173.68 2ami n LYS 45 N 8.86 -0.10 -0.00 1.68 5.02 -1.26 0.06 118.16 132.41 2ami n LYS 45 Ca 0.40 0.88 -0.12 0.00 -2.02 0.00 0.00 58.31 57.46 2ami n LYS 45 Cb 0.47 -1.32 -0.06 0.00 -0.02 0.00 0.00 35.03 34.10 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 0.11 -0.25 1.97 3.07 -1.99 0.13 114.58 117.63 2ami h GLU 46 Ca 0.23 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.08 2ami h GLU 46 Cb 0.38 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 2ami h GLU 46 CO -0.58 0.18 0.15 1.49 -1.40 0.00 0.00 179.01 178.86 2ami h GLU 47 N 0.01 0.33 0.01 2.33 4.81 -0.78 0.06 114.58 121.36 2ami h GLU 47 Ca 0.03 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2ami h GLU 47 Cb 0.10 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 2ami h GLU 47 CO -0.00 0.25 -0.23 0.82 -0.73 0.00 0.00 179.01 179.12 2ami h ILE 48 N 0.31 0.47 -0.17 2.32 1.08 -0.82 0.20 117.51 120.89 2ami h ILE 48 Ca 0.09 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.59 2ami h ILE 48 Cb 0.01 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.20 2ami h ILE 48 CO -0.02 0.00 0.01 0.50 -0.69 0.00 0.00 178.15 177.95 2ami h LYS 49 N -0.37 0.07 0.26 2.37 1.63 -0.50 0.73 116.57 120.77 2ami h LYS 49 Ca 0.06 -0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.86 2ami h LYS 49 Cb 0.44 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.03 2ami h LYS 49 CO -0.20 0.05 -0.38 0.87 -3.45 0.00 0.00 179.45 176.34 2ami h LYS 50 N 0.07 -0.68 0.00 1.90 1.57 -0.73 0.83 116.57 119.54 2ami h LYS 50 Ca 0.08 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.94 2ami h LYS 50 Cb 0.09 0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 2ami h LYS 50 CO -0.13 -0.45 -0.40 1.98 -0.57 0.00 0.00 179.45 179.88 2ami h MET 51 N -0.70 -0.54 -0.44 3.15 4.05 -0.70 0.28 114.93 120.03 2ami h MET 51 Ca -0.00 0.04 0.09 0.00 -0.28 0.00 0.00 59.70 59.54 2ami h MET 51 Cb 0.67 0.12 -0.09 0.00 -0.80 0.00 0.00 31.60 31.50 2ami h MET 51 CO -0.13 -0.36 -0.14 0.82 0.23 0.00 0.00 176.91 177.32 2ami h ILE 52 N -0.56 0.49 -0.16 1.77 2.04 -0.70 0.19 117.51 120.58 2ami h ILE 52 Ca 0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.93 2ami h ILE 52 Cb 0.64 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 2ami h ILE 52 CO -0.31 0.00 0.04 0.28 0.00 0.00 0.00 178.15 178.17 2ami h SER 53 N -0.04 0.04 -0.61 1.72 0.02 -0.16 0.34 113.55 114.86 2ami h SER 53 Ca 0.21 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.24 2ami h SER 53 Cb 0.37 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.88 2ami h SER 53 CO -0.48 0.05 0.32 -0.33 -1.14 0.00 0.00 176.83 175.25 2ami h GLU 54 N 0.12 0.59 -0.14 3.45 4.39 -0.18 -2.49 114.58 120.31 2ami h GLU 54 Ca 0.07 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.58 2ami h GLU 54 Cb 0.05 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 2ami h GLU 54 CO -0.08 0.39 -0.57 0.82 -1.16 0.00 0.00 179.01 178.40 2ami h ILE 55 N 0.60 1.34 -0.35 3.13 1.08 -0.52 -3.39 117.51 119.40 2ami h ILE 55 Ca 0.27 -1.86 -0.70 0.00 -0.39 0.00 0.00 64.86 62.18 2ami h ILE 55 Cb 0.18 1.86 -0.06 0.00 -3.07 0.00 0.00 36.82 35.73 2ami h ILE 55 CO -0.18 0.57 2.76 -0.67 -0.69 0.00 0.00 178.15 179.94 2ami n ASP 56 N -3.93 4.30 -0.19 1.72 2.03 0.12 -4.68 116.55 115.91 2ami n ASP 56 Ca -0.03 -2.87 -0.09 0.00 0.52 0.00 0.00 54.79 52.31 2ami n ASP 56 Cb 0.61 -1.69 0.03 0.00 -0.72 0.00 0.00 41.12 39.35 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 6.61 1.04 0.00 -0.67 1.79 -1.78 -3.43 116.57 120.13 2ami h LYS 57 Ca 0.52 -0.36 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2ami h LYS 57 Cb 0.73 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 2ami h LYS 57 CO 1.72 1.05 -0.47 -3.47 -1.08 0.00 0.00 179.45 177.19 2ami n ASP 58 N -4.16 1.13 0.19 0.86 2.03 -1.26 -4.90 116.55 110.44 2ami n ASP 58 Ca 0.02 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.42 2ami n ASP 58 Cb 0.38 0.00 0.48 0.00 -0.72 0.00 0.00 41.12 41.26 2ami n ASP 58 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2ami h GLY 59 N 0.00 0.00 -6.33 0.27 0.00 -1.82 -3.46 103.07 91.72 2ami h GLY 59 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.94 2ami h GLY 59 CO 0.00 0.00 -0.82 1.44 0.00 0.00 0.00 176.54 177.16 2ami n SER 60 N -2.22 -5.50 0.00 0.19 7.64 -1.26 -1.28 113.62 111.18 2ami n SER 60 Ca -0.01 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 59.01 2ami n SER 60 Cb 0.26 -2.95 0.00 0.00 -1.01 0.00 0.00 64.21 60.51 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 -1.74 3.08 3.90 0.23 0.00 -1.26 -5.03 105.19 104.37 2ami n GLY 61 Ca -0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.69 2.68 -0.18 2.61 -4.23 -0.41 -1.44 115.64 111.99 2ami s THR 62 Ca 0.00 -1.30 0.01 0.00 -1.18 0.00 0.00 61.69 59.22 2ami s THR 62 Cb 0.00 -2.98 0.02 0.00 1.34 0.00 0.00 72.50 70.89 2ami s THR 62 CO 0.00 0.00 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.28 2ami s ILE 63 N -2.46 1.91 0.68 2.99 -1.09 0.96 -4.06 121.20 120.13 2ami s ILE 63 Ca 0.49 -0.89 -0.13 0.00 -2.23 0.00 0.00 60.65 57.89 2ami s ILE 63 Cb -0.04 -1.77 0.01 0.00 -1.58 0.00 0.00 42.46 39.08 2ami s ILE 63 CO 0.29 0.47 1.08 -0.62 -1.23 0.00 0.00 174.94 174.92 2ami s ASP 64 N 1.34 5.18 0.21 3.58 2.15 -1.26 -0.69 116.67 127.18 2ami s ASP 64 Ca 0.04 1.81 -0.14 0.00 0.43 0.00 0.00 52.55 54.69 2ami s ASP 64 Cb -0.13 -2.52 0.24 0.00 -0.30 0.00 0.00 42.92 40.20 2ami s ASP 64 CO -0.12 -1.58 1.62 0.15 -0.17 0.00 0.00 175.17 175.08 2ami h PHE 65 N -0.36 -0.36 -0.92 -5.34 3.57 -1.99 0.12 116.94 111.65 2ami h PHE 65 Ca -0.45 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.10 2ami h PHE 65 Cb 1.23 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 40.18 2ami h PHE 65 CO 0.58 -0.28 0.54 0.93 -2.23 0.00 0.00 178.31 177.85 2ami h GLU 66 N -0.01 1.26 -0.20 1.11 5.08 -1.98 0.16 114.58 120.00 2ami h GLU 66 Ca 0.30 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 2ami h GLU 66 Cb 0.47 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2ami h GLU 66 CO -0.66 0.89 -0.01 0.93 -1.00 0.00 0.00 179.01 179.17 2ami h GLU 67 N 1.28 0.36 -0.43 2.33 5.08 -1.53 0.37 114.58 122.04 2ami h GLU 67 Ca 0.33 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.62 2ami h GLU 67 Cb -0.03 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 2ami h GLU 67 CO -0.06 0.57 0.16 0.35 -1.00 0.00 0.00 179.01 179.03 2ami h PHE 68 N 0.12 0.29 -0.53 4.33 3.57 -0.40 0.42 116.94 124.75 2ami h PHE 68 Ca 0.06 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.63 2ami h PHE 68 Cb 0.41 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 2ami h PHE 68 CO 0.04 0.12 0.25 1.25 -2.23 0.00 0.00 178.31 177.74 2ami h LEU 69 N 0.34 0.35 -0.04 0.59 6.46 -0.52 0.10 115.31 122.59 2ami h LEU 69 Ca 0.20 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 58.03 2ami h LEU 69 Cb 0.17 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.03 2ami h LEU 69 CO -0.19 0.24 -0.27 0.74 -0.62 0.00 0.00 178.44 178.34 2ami h THR 70 N 0.49 0.39 -0.19 1.05 2.02 -0.01 0.12 112.91 116.77 2ami h THR 70 Ca 0.24 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.47 2ami h THR 70 Cb 0.17 0.39 -0.06 0.00 -1.74 0.00 0.00 68.15 66.91 2ami h THR 70 CO -0.18 0.00 -0.16 -0.03 0.37 0.00 0.00 175.52 175.52 2ami h MET 71 N -0.39 -0.17 -0.27 6.66 1.85 -0.24 0.55 114.93 122.93 2ami h MET 71 Ca 0.07 0.01 0.04 0.00 -0.61 0.00 0.00 59.70 59.21 2ami h MET 71 Cb 0.49 0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.53 2ami h MET 71 CO -0.26 -0.11 0.05 1.98 -0.40 0.00 0.00 176.91 178.17 2ami h MET 72 N -0.17 0.15 -0.36 0.39 -1.53 -0.53 0.14 114.93 113.02 2ami h MET 72 Ca 0.12 -0.01 0.06 0.00 -3.44 0.00 0.00 59.70 56.43 2ami h MET 72 Cb 0.35 -0.03 -0.05 0.00 -0.55 0.00 0.00 31.60 31.31 2ami h MET 72 CO -0.29 0.10 0.05 1.15 0.14 0.00 0.00 176.91 178.06 2ami h THR 73 N 0.15 0.79 -0.77 -0.77 2.02 -0.23 0.58 112.91 114.68 2ami h THR 73 Ca 0.12 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 2ami h THR 73 Cb 0.13 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 2ami h THR 73 CO -0.16 0.03 0.41 0.00 0.37 0.00 0.00 175.52 176.16 2ami h ALA 74 N 1.29 0.99 -0.26 6.16 0.00 -0.29 -3.05 119.26 124.10 2ami h ALA 74 Ca 0.18 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2ami h ALA 74 Cb 0.21 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2ami h ALA 74 CO -0.25 0.51 0.04 -0.22 0.00 0.00 0.00 179.25 179.33 2ami h LYS 75 N 1.07 0.43 0.00 0.00 1.63 -0.09 -3.51 116.57 116.10 2ami h LYS 75 Ca 0.27 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 2ami h LYS 75 Cb 0.06 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 2ami h LYS 75 CO -0.04 0.56 0.00 -1.33 -3.45 0.00 0.00 179.45 175.18