#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 0.28 0.00 5.15 0.24 -1.26 -0.85 118.33 121.90 2ami n VAL 2 Ca 0.00 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 2ami n VAL 2 Cb 0.00 -1.23 0.00 0.00 -1.47 0.00 0.00 33.84 31.14 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 4.60 3.75 3.57 7.63 0.00 -1.26 -5.04 105.19 118.44 2ami n GLY 3 Ca 0.29 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 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 3.44 0.90 0.99 1.43 -0.02 -4.98 118.68 120.43 2ami s LEU 4 Ca 0.00 -1.55 -0.11 0.00 -1.03 0.00 0.00 54.13 51.44 2ami s LEU 4 Cb 0.00 -2.57 0.13 0.00 0.03 0.00 0.00 46.19 43.78 2ami s LEU 4 CO 0.00 -1.95 1.11 0.42 0.23 0.00 0.00 176.35 176.15 2ami s THR 5 N 6.91 2.52 0.30 5.49 -4.23 -1.26 -4.66 115.64 120.71 2ami s THR 5 Ca 0.57 0.17 0.07 0.00 -1.18 0.00 0.00 61.69 61.31 2ami s THR 5 Cb -0.01 -2.40 0.30 0.00 1.34 0.00 0.00 72.50 71.73 2ami s THR 5 CO 0.00 -0.22 1.72 -0.33 -0.54 0.00 0.00 174.62 175.25 2ami h GLU 6 N -1.69 0.50 -0.11 3.99 3.07 -1.98 0.20 114.58 118.56 2ami h GLU 6 Ca -0.46 -0.03 0.04 0.00 -0.50 0.00 0.00 59.36 58.41 2ami h GLU 6 Cb 1.27 -0.11 -0.06 0.00 -0.84 0.00 0.00 28.75 29.01 2ami h GLU 6 CO 0.47 0.33 -0.24 0.93 -1.40 0.00 0.00 179.01 179.10 2ami h GLU 7 N 0.52 -0.31 -0.89 2.33 3.07 -1.99 0.96 114.58 118.27 2ami h GLU 7 Ca 0.60 0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.46 2ami h GLU 7 Cb 1.12 0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 29.06 2ami h GLU 7 CO -0.49 -0.21 0.49 1.96 -1.40 0.00 0.00 179.01 179.37 2ami h GLN 8 N -0.32 1.24 -0.52 2.33 4.20 -1.03 0.07 115.11 121.08 2ami h GLN 8 Ca 0.09 -0.14 0.07 0.00 0.06 0.00 0.00 58.65 58.73 2ami h GLN 8 Cb 0.46 -0.24 -0.06 0.00 0.30 0.00 0.00 27.48 27.94 2ami h GLN 8 CO -0.29 0.91 0.20 0.87 -0.67 0.00 0.00 178.83 179.85 2ami h LYS 9 N 1.24 0.39 0.01 1.46 1.57 -0.31 0.95 116.57 121.87 2ami h LYS 9 Ca 0.31 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.08 2ami h LYS 9 Cb 0.02 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2ami h LYS 9 CO -0.05 0.25 -0.05 1.96 -0.57 0.00 0.00 179.45 180.99 2ami h GLN 10 N 0.40 -0.10 -0.43 3.15 1.08 0.19 -0.13 115.11 119.26 2ami h GLN 10 Ca 0.25 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.53 2ami h GLN 10 Cb 0.25 0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.64 2ami h GLN 10 CO -0.24 -0.06 0.04 0.93 -0.95 0.00 0.00 178.83 178.55 2ami h GLU 11 N -0.10 0.16 -0.41 1.46 5.08 -0.43 0.20 114.58 120.53 2ami h GLU 11 Ca 0.02 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2ami h GLU 11 Cb 0.13 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2ami h GLU 11 CO -0.05 0.10 0.21 0.82 -1.00 0.00 0.00 179.01 179.09 2ami h ILE 12 N 0.16 0.99 -0.50 3.13 2.04 -0.57 0.22 117.51 122.97 2ami h ILE 12 Ca 0.21 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 2ami h ILE 12 Cb 0.29 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2ami h ILE 12 CO -0.32 0.08 0.28 -0.09 0.00 0.00 0.00 178.15 178.11 2ami h ARG 13 N 0.43 0.69 -0.12 2.37 9.65 0.07 0.75 114.38 128.21 2ami h ARG 13 Ca 0.17 -0.07 0.03 0.00 -1.10 0.00 0.00 59.98 59.01 2ami h ARG 13 Cb 0.07 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.48 2ami h ARG 13 CO -0.11 0.53 -0.06 0.93 2.80 0.00 0.00 179.97 184.05 2ami h GLU 14 N 0.67 -0.05 -0.23 0.20 5.08 -0.25 0.81 114.58 120.81 2ami h GLU 14 Ca 0.18 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.59 2ami h GLU 14 Cb 0.03 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 2ami h GLU 14 CO -0.03 -0.03 -0.08 0.00 -1.00 0.00 0.00 179.01 177.87 2ami h ALA 15 N 1.06 0.13 0.00 3.43 0.00 -0.69 0.84 119.26 124.03 2ami h ALA 15 Ca 0.07 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2ami h ALA 15 Cb 0.16 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 2ami h ALA 15 CO -0.16 -0.49 -0.43 0.35 0.00 0.00 0.00 179.25 178.52 2ami h PHE 16 N -0.03 -1.24 -0.42 0.00 3.57 -0.38 0.63 116.94 119.07 2ami h PHE 16 Ca 0.12 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.70 2ami h PHE 16 Cb 0.21 0.54 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 2ami h PHE 16 CO -0.26 -0.51 0.17 -0.44 -2.23 0.00 0.00 178.31 175.05 2ami h ASP 17 N -0.59 0.21 0.04 0.41 3.32 -0.56 0.76 116.42 120.00 2ami h ASP 17 Ca 0.04 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.15 2ami h ASP 17 Cb 0.66 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 2ami h ASP 17 CO -0.32 0.15 -0.18 0.25 -1.72 0.00 0.00 179.24 177.43 2ami h LEU 18 N 0.35 -0.51 -0.96 1.55 6.46 -0.46 -2.53 115.31 119.20 2ami h LEU 18 Ca 0.19 0.07 0.01 0.00 -0.12 0.00 0.00 57.88 58.03 2ami h LEU 18 Cb 0.15 0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 40.24 2ami h LEU 18 CO -0.18 -0.25 0.63 -0.26 -0.62 0.00 0.00 178.44 177.77 2ami h PHE 19 N -0.31 1.21 0.00 1.25 0.04 -0.43 -2.72 116.94 115.99 2ami h PHE 19 Ca 0.04 0.03 -0.42 0.00 2.80 0.00 0.00 57.97 60.42 2ami h PHE 19 Cb 0.36 -0.41 0.02 0.00 2.20 0.00 0.00 35.95 38.12 2ami h PHE 19 CO -0.21 0.77 2.79 -3.47 -0.60 0.00 0.00 178.31 177.59 2ami n ASP 20 N -4.41 5.51 -0.31 2.17 2.03 0.22 -4.64 116.55 117.13 2ami n ASP 20 Ca 0.11 -2.36 0.15 0.00 0.52 0.00 0.00 54.79 53.21 2ami n ASP 20 Cb 0.01 -1.16 0.39 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 3.37 0.71 0.00 5.18 1.35 -1.58 0.89 112.91 122.83 2ami h THR 21 Ca 0.55 -0.22 -0.02 0.00 -0.55 0.00 0.00 66.41 66.17 2ami h THR 21 Cb 0.18 0.01 -0.00 0.00 -1.73 0.00 0.00 68.15 66.61 2ami h THR 21 CO 1.49 0.12 -0.08 -0.78 -0.25 0.00 0.00 175.52 176.02 2ami h ASP 22 N 0.65 0.00 -2.56 5.36 3.58 -1.90 -3.47 116.42 118.08 2ami h ASP 22 Ca 0.53 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.75 2ami h ASP 22 Cb 0.98 0.00 0.03 0.00 1.72 0.00 0.00 39.33 42.05 2ami h ASP 22 CO -0.29 0.08 -0.33 0.61 -2.88 0.00 0.00 179.24 176.42 2ami n GLY 23 N -0.49 -0.01 0.29 -0.78 0.00 0.30 -4.92 105.19 99.58 2ami n GLY 23 Ca -0.01 -0.29 0.19 0.00 0.00 0.00 0.00 46.02 45.90 2ami n GLY 23 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2ami h SER 24 N -0.67 0.00 0.00 1.61 0.02 -1.91 -3.46 113.55 109.15 2ami h SER 24 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2ami h SER 24 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2ami h SER 24 CO 0.32 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.63 2ami n GLY 25 N -0.26 0.74 3.30 -3.77 0.00 -1.26 -5.02 105.19 98.91 2ami n GLY 25 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.84 0.04 -0.34 2.61 -4.23 -1.26 -4.49 115.64 105.13 2ami s THR 26 Ca 0.00 -0.36 -0.24 0.00 -1.18 0.00 0.00 61.69 59.92 2ami s THR 26 Cb 0.00 -0.69 0.01 0.00 1.34 0.00 0.00 72.50 73.15 2ami s THR 26 CO 0.00 -0.20 0.80 -0.63 -0.54 0.00 0.00 174.62 174.05 2ami s ILE 27 N -1.23 4.75 0.49 2.99 1.01 -0.07 -4.73 121.20 124.41 2ami s ILE 27 Ca -0.12 1.06 -0.23 0.00 0.00 0.00 0.00 60.65 61.36 2ami s ILE 27 Cb -0.04 -4.19 -0.06 0.00 0.01 0.00 0.00 42.46 38.18 2ami s ILE 27 CO 0.05 -0.35 1.27 -0.62 0.00 0.00 0.00 174.94 175.29 2ami s ASP 28 N 1.73 5.77 0.25 3.58 -1.08 -1.26 -0.15 116.67 125.51 2ami s ASP 28 Ca 0.32 2.57 -0.07 0.00 -0.52 0.00 0.00 52.55 54.85 2ami s ASP 28 Cb -0.14 -2.62 0.40 0.00 -1.46 0.00 0.00 42.92 39.11 2ami s ASP 28 CO 0.15 -1.22 1.37 0.00 0.52 0.00 0.00 175.17 176.00 2ami n ALA 29 N -0.66 0.21 0.05 3.66 0.00 -0.36 -0.40 120.51 123.01 2ami n ALA 29 Ca 0.08 0.97 -0.11 0.00 0.00 0.00 0.00 53.44 54.38 2ami n ALA 29 Cb 0.46 -0.58 -0.04 0.00 0.00 0.00 0.00 19.45 19.29 2ami n ALA 29 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2ami h LYS 30 N 0.00 -0.35 -0.79 0.00 3.64 -1.91 0.07 116.57 117.22 2ami h LYS 30 Ca 0.42 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.86 2ami h LYS 30 Cb 0.64 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.50 2ami h LYS 30 CO -0.91 -0.23 0.52 0.93 -2.27 0.00 0.00 179.45 177.49 2ami h GLU 31 N -0.36 0.94 -0.19 1.90 5.08 -1.05 -0.47 114.58 120.43 2ami h GLU 31 Ca 0.06 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 2ami h GLU 31 Cb 0.45 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2ami h GLU 31 CO -0.22 0.62 -0.03 1.25 -1.00 0.00 0.00 179.01 179.63 2ami h LEU 32 N 0.97 0.36 -1.12 1.33 5.85 0.03 0.15 115.31 122.88 2ami h LEU 32 Ca 0.32 -0.35 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 2ami h LEU 32 Cb 0.06 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2ami h LEU 32 CO -0.09 0.62 0.09 0.07 -0.34 0.00 0.00 178.44 178.79 2ami h LYS 33 N 0.08 0.72 -0.26 1.25 2.10 -0.61 0.63 116.57 120.48 2ami h LYS 33 Ca 0.05 -0.14 0.03 0.00 -2.00 0.00 0.00 60.65 58.59 2ami h LYS 33 Cb 0.46 -0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 31.65 2ami h LYS 33 CO 0.02 0.67 0.07 0.28 -2.00 0.00 0.00 179.45 178.48 2ami h VAL 34 N 0.69 0.90 -0.26 0.07 2.07 -0.91 0.89 116.25 119.70 2ami h VAL 34 Ca 0.15 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.67 2ami h VAL 34 Cb 0.29 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 2ami h VAL 34 CO 0.00 0.03 -0.11 0.00 0.02 0.00 0.00 177.57 177.52 2ami h ALA 35 N 1.18 0.12 -0.51 1.67 0.00 0.11 0.54 119.26 122.36 2ami h ALA 35 Ca 0.12 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.17 2ami h ALA 35 Cb 0.10 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2ami h ALA 35 CO -0.14 -0.51 0.25 0.52 0.00 0.00 0.00 179.25 179.37 2ami h MET 36 N -0.06 0.48 -0.25 0.00 2.07 -0.60 0.14 114.93 116.71 2ami h MET 36 Ca 0.13 -0.03 0.05 0.00 -2.07 0.00 0.00 59.70 57.79 2ami h MET 36 Cb 0.27 -0.11 -0.05 0.00 -1.87 0.00 0.00 31.60 29.83 2ami h MET 36 CO -0.30 0.32 -0.10 0.00 1.07 0.00 0.00 176.91 177.90 2ami h ARG 37 N 0.50 -0.05 -0.99 1.72 2.47 -0.13 0.63 114.38 118.53 2ami h ARG 37 Ca 0.23 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 59.02 2ami h ARG 37 Cb 0.14 0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 28.40 2ami h ARG 37 CO -0.16 -0.03 0.63 0.00 0.56 0.00 0.00 179.97 180.97 2ami h ALA 38 N 1.17 1.38 0.00 0.04 0.00 -0.12 0.10 119.26 121.84 2ami h ALA 38 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2ami h ALA 38 Cb 0.25 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2ami h ALA 38 CO -0.29 0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.64 2ami n LEU 39 N -4.53 0.00 0.00 0.00 4.77 0.40 -4.88 117.00 112.76 2ami n LEU 39 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2ami n LEU 39 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2ami n LEU 39 CO 0.31 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 2ami n GLY 40 N 0.39 0.41 3.85 -0.72 0.00 0.35 -5.03 105.19 104.44 2ami n GLY 40 Ca 0.14 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.00 3.20 -0.36 1.61 0.40 0.11 -4.99 117.98 115.95 2ami s PHE 41 Ca 0.00 1.18 -0.07 0.00 -0.60 0.00 0.00 56.93 57.44 2ami s PHE 41 Cb 0.00 -3.00 0.05 0.00 0.51 0.00 0.00 43.02 40.59 2ami s PHE 41 CO 0.00 -1.28 0.15 -1.21 0.70 0.00 0.00 175.22 173.58 2ami s GLU 42 N -5.22 2.58 -0.53 0.44 0.41 -1.26 -4.35 118.70 110.77 2ami s GLU 42 Ca 0.58 -1.28 -0.23 0.00 -0.41 0.00 0.00 54.97 53.64 2ami s GLU 42 Cb -0.12 -3.55 -0.23 0.00 -1.78 0.00 0.00 34.13 28.45 2ami s GLU 42 CO 0.53 -0.76 1.68 -2.30 -0.49 0.00 0.00 175.26 173.93 2ami n PRO 43 N 4.83 0.04 -1.94 0.39 -0.02 -1.26 -4.85 135.00 132.19 2ami n PRO 43 Ca -0.11 -1.13 -0.24 0.00 -2.02 0.00 0.00 63.50 59.99 2ami n PRO 43 Cb 0.44 -2.89 -0.07 0.00 -0.02 0.00 0.00 33.50 30.96 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 7.18 2.21 0.11 -0.52 -0.14 -1.26 -4.85 119.74 122.47 2ami s LYS 44 Ca 0.61 -0.64 -0.15 0.00 -1.36 0.00 0.00 55.97 54.43 2ami s LYS 44 Cb 0.02 -5.11 0.02 0.00 -1.68 0.00 0.00 37.83 31.09 2ami s LYS 44 CO 0.20 -4.10 0.89 1.63 -0.76 0.00 0.00 175.35 173.20 2ami n LYS 45 N 8.48 -0.21 -0.21 1.68 5.02 -1.26 0.21 118.16 131.88 2ami n LYS 45 Ca 0.43 0.87 -0.02 0.00 -2.02 0.00 0.00 58.31 57.57 2ami n LYS 45 Cb 0.46 -1.29 0.08 0.00 -0.02 0.00 0.00 35.03 34.27 2ami n LYS 45 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 2ami h GLU 46 N 0.00 0.58 -0.28 1.97 4.11 -1.99 0.98 114.58 119.95 2ami h GLU 46 Ca 0.13 -0.04 -0.18 0.00 0.07 0.00 0.00 59.36 59.35 2ami h GLU 46 Cb 0.27 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 2ami h GLU 46 CO -0.55 0.39 -0.52 1.49 0.07 0.00 0.00 179.01 179.89 2ami h GLU 47 N 0.60 0.81 -0.36 1.06 4.57 -0.63 -0.54 114.58 120.09 2ami h GLU 47 Ca 0.27 -0.50 0.07 0.00 -1.18 0.00 0.00 59.36 58.02 2ami h GLU 47 Cb 0.18 0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 28.76 2ami h GLU 47 CO -0.18 1.13 -0.01 0.82 -1.18 0.00 0.00 179.01 179.58 2ami h ILE 48 N 0.63 0.72 -0.08 2.32 1.08 -0.51 0.68 117.51 122.34 2ami h ILE 48 Ca 0.02 -0.03 0.01 0.00 -0.39 0.00 0.00 64.86 64.48 2ami h ILE 48 Cb 1.11 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 35.48 2ami h ILE 48 CO 0.11 0.01 0.00 0.11 -0.69 0.00 0.00 178.15 177.70 2ami h LYS 49 N 0.08 0.03 0.13 2.37 1.79 -0.44 0.84 116.57 121.38 2ami h LYS 49 Ca 0.17 -0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.66 2ami h LYS 49 Cb 0.25 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.84 2ami h LYS 49 CO -0.31 0.02 -0.45 0.87 -1.08 0.00 0.00 179.45 178.51 2ami h LYS 50 N 0.03 -0.66 -0.08 3.15 1.57 -0.71 0.27 116.57 120.14 2ami h LYS 50 Ca 0.04 0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2ami h LYS 50 Cb 0.04 0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.45 2ami h LYS 50 CO -0.06 -0.44 -0.49 1.98 -0.57 0.00 0.00 179.45 179.86 2ami h MET 51 N -0.69 -0.54 -0.53 3.15 4.05 -0.71 0.38 114.93 120.04 2ami h MET 51 Ca 0.01 0.04 0.11 0.00 -0.28 0.00 0.00 59.70 59.58 2ami h MET 51 Cb 0.71 0.12 -0.09 0.00 -0.80 0.00 0.00 31.60 31.54 2ami h MET 51 CO -0.25 -0.36 -0.05 0.82 0.23 0.00 0.00 176.91 177.30 2ami h ILE 52 N -0.56 0.54 -0.13 1.77 2.04 -0.69 -0.25 117.51 120.24 2ami h ILE 52 Ca 0.02 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.87 2ami h ILE 52 Cb 0.63 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2ami h ILE 52 CO -0.37 0.01 0.03 0.28 0.00 0.00 0.00 178.15 178.10 2ami h SER 53 N 0.07 0.03 -0.57 1.72 0.02 -0.21 0.35 113.55 114.95 2ami h SER 53 Ca 0.26 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.28 2ami h SER 53 Cb 0.41 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.91 2ami h SER 53 CO -0.48 0.04 0.30 -0.33 -1.14 0.00 0.00 176.83 175.22 2ami h GLU 54 N 0.09 0.56 -0.11 3.45 4.39 -0.05 -2.42 114.58 120.49 2ami h GLU 54 Ca 0.05 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.56 2ami h GLU 54 Cb 0.04 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2ami h GLU 54 CO -0.06 0.37 -0.61 0.82 -1.16 0.00 0.00 179.01 178.37 2ami h ILE 55 N 0.58 1.36 -0.32 3.13 1.08 -0.72 -3.38 117.51 119.24 2ami h ILE 55 Ca 0.25 -1.95 -0.67 0.00 -0.39 0.00 0.00 64.86 62.10 2ami h ILE 55 Cb 0.15 1.95 -0.04 0.00 -3.07 0.00 0.00 36.82 35.81 2ami h ILE 55 CO -0.17 0.59 2.61 -0.67 -0.69 0.00 0.00 178.15 179.82 2ami n ASP 56 N -3.89 4.05 -0.07 1.72 2.03 0.12 -4.72 116.55 115.78 2ami n ASP 56 Ca -0.03 -2.84 -0.09 0.00 0.52 0.00 0.00 54.79 52.34 2ami n ASP 56 Cb 0.63 -1.64 -0.02 0.00 -0.72 0.00 0.00 41.12 39.36 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 6.95 0.35 0.00 -0.67 1.79 -1.76 -3.42 116.57 119.81 2ami h LYS 57 Ca 0.49 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.94 2ami h LYS 57 Cb 0.74 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 2ami h LYS 57 CO 1.71 0.26 -0.26 -3.47 -1.08 0.00 0.00 179.45 176.60 2ami n ASP 58 N -4.89 1.24 0.00 0.86 2.03 -1.26 -4.90 116.55 109.64 2ami n ASP 58 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2ami n ASP 58 Cb 0.04 0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 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 1.38 -0.37 3.64 0.27 0.00 -1.26 -4.88 105.19 103.97 2ami n GLY 59 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.37 -5.49 0.00 1.61 7.64 -1.26 -1.47 113.62 113.28 2ami n SER 60 Ca 0.00 -0.78 0.00 0.00 1.01 0.00 0.00 58.87 59.10 2ami n SER 60 Cb 0.05 -2.50 0.00 0.00 -1.01 0.00 0.00 64.21 60.75 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 -1.69 3.29 3.68 0.23 0.00 -1.26 -5.02 105.19 104.42 2ami n GLY 61 Ca -0.24 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.49 3.42 -0.23 2.61 -4.23 -0.54 -1.23 115.64 112.95 2ami s THR 62 Ca 0.00 -1.81 -0.08 0.00 -1.18 0.00 0.00 61.69 58.62 2ami s THR 62 Cb 0.00 -2.93 -0.03 0.00 1.34 0.00 0.00 72.50 70.87 2ami s THR 62 CO 0.00 -0.32 0.08 -0.63 -0.54 0.00 0.00 174.62 173.21 2ami s ILE 63 N -2.34 4.55 0.72 2.99 -1.09 0.79 -4.04 121.20 122.79 2ami s ILE 63 Ca 0.33 -0.10 -0.11 0.00 -2.23 0.00 0.00 60.65 58.54 2ami s ILE 63 Cb -0.05 -3.11 0.02 0.00 -1.58 0.00 0.00 42.46 37.74 2ami s ILE 63 CO 0.21 0.37 1.07 -1.81 -1.23 0.00 0.00 174.94 173.55 2ami s ASP 64 N 1.24 5.13 0.16 3.58 1.01 -1.26 -0.89 116.67 125.64 2ami s ASP 64 Ca 0.05 1.55 -0.16 0.00 0.71 0.00 0.00 52.55 54.70 2ami s ASP 64 Cb -0.14 -2.39 0.05 0.00 1.01 0.00 0.00 42.92 41.45 2ami s ASP 64 CO 0.04 -1.59 1.78 0.15 0.21 0.00 0.00 175.17 175.75 2ami h PHE 65 N -0.82 0.36 -0.41 4.23 3.57 -1.99 0.78 116.94 122.65 2ami h PHE 65 Ca -0.45 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.10 2ami h PHE 65 Cb 1.22 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.83 2ami h PHE 65 CO 0.58 0.19 0.20 0.93 -2.23 0.00 0.00 178.31 177.98 2ami h GLU 66 N 0.39 0.40 0.07 1.11 5.08 -1.98 0.15 114.58 119.81 2ami h GLU 66 Ca 0.16 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2ami h GLU 66 Cb 0.07 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2ami h GLU 66 CO -0.11 0.27 -0.08 0.93 -1.00 0.00 0.00 179.01 179.01 2ami h GLU 67 N 0.41 -0.17 -0.12 2.33 5.08 -1.76 0.36 114.58 120.71 2ami h GLU 67 Ca 0.18 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 2ami h GLU 67 Cb 0.08 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 2ami h GLU 67 CO -0.12 -0.12 -0.15 0.35 -1.00 0.00 0.00 179.01 177.97 2ami h PHE 68 N -0.18 -0.39 -0.37 4.33 3.57 -0.52 0.80 116.94 124.18 2ami h PHE 68 Ca 0.01 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.59 2ami h PHE 68 Cb 0.18 0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.06 2ami h PHE 68 CO -0.12 -0.22 0.02 1.25 -2.23 0.00 0.00 178.31 177.01 2ami h LEU 69 N -0.20 -0.10 -0.21 0.59 5.85 -0.50 0.92 115.31 121.66 2ami h LEU 69 Ca 0.09 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.92 2ami h LEU 69 Cb 0.33 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 2ami h LEU 69 CO -0.23 -0.01 -0.01 0.74 -0.34 0.00 0.00 178.44 178.58 2ami h THR 70 N 0.13 0.84 -0.01 1.05 2.02 -0.40 0.13 112.91 116.66 2ami h THR 70 Ca 0.18 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.37 2ami h THR 70 Cb 0.24 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 2ami h THR 70 CO -0.28 0.01 -0.21 -0.03 0.37 0.00 0.00 175.52 175.38 2ami h MET 71 N 0.05 -0.32 -0.48 6.66 1.85 -0.12 0.13 114.93 122.70 2ami h MET 71 Ca 0.10 0.02 0.02 0.00 -0.61 0.00 0.00 59.70 59.23 2ami h MET 71 Cb 0.13 0.07 -0.03 0.00 0.43 0.00 0.00 31.60 32.20 2ami h MET 71 CO -0.18 -0.21 0.29 0.52 -0.40 0.00 0.00 176.91 176.93 2ami h MET 72 N -0.33 0.56 -0.61 0.39 2.07 -0.58 0.85 114.93 117.28 2ami h MET 72 Ca 0.06 -0.03 0.02 0.00 -2.07 0.00 0.00 59.70 57.68 2ami h MET 72 Cb 0.41 -0.13 -0.04 0.00 -1.87 0.00 0.00 31.60 29.98 2ami h MET 72 CO -0.20 0.37 0.38 1.15 1.07 0.00 0.00 176.91 179.68 2ami h THR 73 N 0.58 1.09 0.82 2.22 2.02 -0.33 -2.16 112.91 117.15 2ami h THR 73 Ca 0.19 -0.26 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 2ami h THR 73 Cb 0.01 0.27 0.01 0.00 -1.74 0.00 0.00 68.15 66.70 2ami h THR 73 CO -0.09 0.14 -0.39 0.00 0.37 0.00 0.00 175.52 175.55 2ami h ALA 74 N 1.26 -1.10 -0.16 6.16 0.00 -0.27 -3.15 119.26 122.01 2ami h ALA 74 Ca 0.24 -0.25 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 2ami h ALA 74 Cb -0.01 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 2ami h ALA 74 CO -0.09 -1.06 -0.12 1.63 0.00 0.00 0.00 179.25 179.60 2ami n LYS 75 N -5.53 2.01 0.00 0.00 5.02 0.25 -5.10 118.16 114.81 2ami n LYS 75 Ca -0.14 -1.29 0.06 0.00 -2.02 0.00 0.00 58.31 54.92 2ami n LYS 75 Cb 0.44 -1.94 0.39 0.00 -0.02 0.00 0.00 35.03 33.90 2ami n LYS 75 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88