#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 0.00 -3.51 8.89 0.31 -1.26 -4.73 118.33 118.03 2ami n VAL 2 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.13 2ami n VAL 2 Cb 0.00 0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.01 2ami n VAL 2 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ami n GLY 3 N 0.00 -0.43 2.92 2.92 0.00 -1.26 -4.98 105.19 104.35 2ami n GLY 3 Ca 0.00 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -6.75 4.12 0.85 0.99 1.43 -1.26 -5.06 118.68 112.99 2ami s LEU 4 Ca 0.24 -3.01 -0.10 0.00 -1.03 0.00 0.00 54.13 50.22 2ami s LEU 4 Cb -0.11 -1.56 0.10 0.00 0.03 0.00 0.00 46.19 44.66 2ami s LEU 4 CO 0.73 -0.23 1.12 0.42 0.23 0.00 0.00 176.35 178.62 2ami s THR 5 N -0.27 2.72 0.25 5.49 -4.23 -1.26 -4.80 115.64 113.55 2ami s THR 5 Ca 0.18 0.23 -0.03 0.00 -1.18 0.00 0.00 61.69 60.89 2ami s THR 5 Cb -0.25 -2.51 0.23 0.00 1.34 0.00 0.00 72.50 71.32 2ami s THR 5 CO -0.01 -0.31 1.80 -0.33 -0.54 0.00 0.00 174.62 175.24 2ami h GLU 6 N -1.50 0.76 -0.02 3.99 5.08 -1.99 0.03 114.58 120.92 2ami h GLU 6 Ca -0.44 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 57.91 2ami h GLU 6 Cb 1.25 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 30.28 2ami h GLU 6 CO 0.47 0.50 -0.32 0.93 -1.00 0.00 0.00 179.01 179.59 2ami h GLU 7 N 0.78 -0.44 -0.27 2.33 3.07 -1.99 0.11 114.58 118.17 2ami h GLU 7 Ca 0.42 0.03 0.06 0.00 -0.50 0.00 0.00 59.36 59.37 2ami h GLU 7 Cb 0.44 0.10 -0.06 0.00 -0.84 0.00 0.00 28.75 28.40 2ami h GLU 7 CO -0.27 -0.30 -0.10 1.96 -1.40 0.00 0.00 179.01 178.90 2ami h GLN 8 N -0.46 -0.04 -0.44 2.33 4.20 -1.67 -0.23 115.11 118.80 2ami h GLN 8 Ca 0.07 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.85 2ami h GLN 8 Cb 0.56 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.29 2ami h GLN 8 CO -0.28 -0.03 0.10 0.87 -0.67 0.00 0.00 178.83 178.82 2ami h LYS 9 N -0.05 0.24 -0.07 1.46 1.57 -0.36 0.11 116.57 119.47 2ami h LYS 9 Ca 0.14 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 2ami h LYS 9 Cb 0.25 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2ami h LYS 9 CO -0.31 0.16 -0.04 1.96 -0.57 0.00 0.00 179.45 180.65 2ami h GLN 10 N 0.24 -0.04 -0.33 3.15 1.08 -0.34 0.15 115.11 119.03 2ami h GLN 10 Ca 0.21 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.44 2ami h GLN 10 Cb 0.25 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.66 2ami h GLN 10 CO -0.26 -0.03 0.17 0.93 -0.95 0.00 0.00 178.83 178.69 2ami h GLU 11 N -0.04 0.33 -0.85 1.46 4.39 -0.46 0.11 114.58 119.53 2ami h GLU 11 Ca 0.04 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.74 2ami h GLU 11 Cb 0.10 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 2ami h GLU 11 CO -0.10 0.22 0.56 0.82 -1.16 0.00 0.00 179.01 179.35 2ami h ILE 12 N 0.34 1.20 -0.22 3.13 2.04 -0.53 0.43 117.51 123.91 2ami h ILE 12 Ca 0.14 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 2ami h ILE 12 Cb 0.05 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.08 2ami h ILE 12 CO -0.09 0.21 0.10 -0.09 0.00 0.00 0.00 178.15 178.28 2ami h ARG 13 N 1.14 0.31 -0.05 2.37 9.65 -0.13 0.13 114.38 127.79 2ami h ARG 13 Ca 0.32 -0.05 0.04 0.00 -1.10 0.00 0.00 59.98 59.19 2ami h ARG 13 Cb -0.11 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.37 2ami h ARG 13 CO -0.08 0.33 -0.23 1.49 2.80 0.00 0.00 179.97 184.28 2ami h GLU 14 N 0.22 -0.32 -0.36 0.20 4.22 -0.30 0.55 114.58 118.79 2ami h GLU 14 Ca 0.07 0.02 0.07 0.00 0.08 0.00 0.00 59.36 59.60 2ami h GLU 14 Cb 0.12 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 2ami h GLU 14 CO -0.01 -0.21 -0.02 0.00 -2.18 0.00 0.00 179.01 176.58 2ami h ALA 15 N 0.57 0.30 0.11 2.92 0.00 -0.78 0.32 119.26 122.70 2ami h ALA 15 Ca 0.08 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.12 2ami h ALA 15 Cb 0.44 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 2ami h ALA 15 CO -0.25 -0.42 -0.43 0.35 0.00 0.00 0.00 179.25 178.51 2ami h PHE 16 N 0.07 -1.20 -0.37 0.00 3.57 -0.09 1.00 116.94 119.92 2ami h PHE 16 Ca 0.17 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.75 2ami h PHE 16 Cb 0.25 0.51 -0.04 0.00 2.79 0.00 0.00 35.95 39.46 2ami h PHE 16 CO -0.27 -0.52 0.13 -0.44 -2.23 0.00 0.00 178.31 174.98 2ami h ASP 17 N -0.65 0.14 0.03 0.41 3.32 -0.59 0.53 116.42 119.61 2ami h ASP 17 Ca 0.02 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.14 2ami h ASP 17 Cb 0.68 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.22 2ami h ASP 17 CO -0.25 0.12 -0.23 0.25 -1.72 0.00 0.00 179.24 177.41 2ami h LEU 18 N 0.29 -0.68 -1.23 1.55 6.46 -0.62 -2.60 115.31 118.48 2ami h LEU 18 Ca 0.17 0.09 0.01 0.00 -0.12 0.00 0.00 57.88 58.02 2ami h LEU 18 Cb 0.14 0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.30 2ami h LEU 18 CO -0.17 -0.31 0.52 -0.26 -0.62 0.00 0.00 178.44 177.61 2ami h PHE 19 N -0.38 0.99 0.00 1.25 0.04 -0.29 -2.61 116.94 115.94 2ami h PHE 19 Ca 0.05 0.02 -0.50 0.00 2.80 0.00 0.00 57.97 60.34 2ami h PHE 19 Cb 0.45 -0.33 0.02 0.00 2.20 0.00 0.00 35.95 38.28 2ami h PHE 19 CO -0.26 0.62 2.90 -3.47 -0.60 0.00 0.00 178.31 177.51 2ami n ASP 20 N -4.41 5.47 -0.30 2.17 2.03 0.13 -4.66 116.55 116.97 2ami n ASP 20 Ca 0.09 -2.46 0.12 0.00 0.52 0.00 0.00 54.79 53.06 2ami n ASP 20 Cb 0.03 -1.24 0.35 0.00 -0.72 0.00 0.00 41.12 39.54 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 3.50 0.82 0.00 5.18 1.35 -1.59 0.15 112.91 122.32 2ami h THR 21 Ca 0.58 -0.25 -0.02 0.00 -0.55 0.00 0.00 66.41 66.17 2ami h THR 21 Cb 0.28 0.01 -0.00 0.00 -1.73 0.00 0.00 68.15 66.71 2ami h THR 21 CO 1.62 0.14 -0.08 -0.78 -0.25 0.00 0.00 175.52 176.17 2ami h ASP 22 N 0.74 0.00 -2.88 5.36 3.58 -1.89 -3.47 116.42 117.86 2ami h ASP 22 Ca 0.48 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.68 2ami h ASP 22 Cb 0.74 0.00 0.04 0.00 1.72 0.00 0.00 39.33 41.82 2ami h ASP 22 CO -0.24 0.08 -0.37 0.61 -2.88 0.00 0.00 179.24 176.43 2ami n GLY 23 N -0.47 -0.06 0.23 -0.78 0.00 0.53 -4.92 105.19 99.72 2ami n GLY 23 Ca -0.01 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.82 0.00 0.00 1.61 0.02 -1.91 -3.46 113.55 108.99 2ami h SER 24 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2ami h SER 24 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2ami h SER 24 CO 0.35 0.21 0.00 0.61 -1.14 0.00 0.00 176.83 176.86 2ami n GLY 25 N -0.37 2.09 3.14 -3.77 0.00 -1.26 -5.04 105.19 99.97 2ami n GLY 25 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.22 1.06 -0.20 2.61 -4.23 -1.26 -4.62 115.64 106.77 2ami s THR 26 Ca 0.00 -1.07 -0.29 0.00 -1.18 0.00 0.00 61.69 59.15 2ami s THR 26 Cb 0.00 -0.98 -0.00 0.00 1.34 0.00 0.00 72.50 72.86 2ami s THR 26 CO 0.00 -0.08 1.14 -0.63 -0.54 0.00 0.00 174.62 174.51 2ami s ILE 27 N -0.98 4.50 0.46 2.99 1.01 0.31 -4.75 121.20 124.74 2ami s ILE 27 Ca -0.00 1.82 -0.24 0.00 0.00 0.00 0.00 60.65 62.23 2ami s ILE 27 Cb -0.08 -4.18 -0.07 0.00 0.01 0.00 0.00 42.46 38.14 2ami s ILE 27 CO 0.01 -0.16 1.30 -0.62 0.00 0.00 0.00 174.94 175.47 2ami s ASP 28 N 1.55 5.91 0.26 3.58 -1.08 -1.26 0.19 116.67 125.82 2ami s ASP 28 Ca 0.49 2.64 -0.04 0.00 -0.52 0.00 0.00 52.55 55.12 2ami s ASP 28 Cb -0.18 -2.63 0.51 0.00 -1.46 0.00 0.00 42.92 39.16 2ami s ASP 28 CO 0.10 -1.12 1.41 0.00 0.52 0.00 0.00 175.17 176.08 2ami n ALA 29 N -0.39 0.30 -0.19 3.66 0.00 -0.39 -0.09 120.51 123.41 2ami n ALA 29 Ca 0.07 0.98 -0.07 0.00 0.00 0.00 0.00 53.44 54.41 2ami n ALA 29 Cb 0.45 -0.63 0.02 0.00 0.00 0.00 0.00 19.45 19.29 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 0.80 -0.97 0.00 6.56 -1.91 0.38 116.57 121.44 2ami h LYS 30 Ca 0.47 -0.12 0.01 0.00 -1.06 0.00 0.00 60.65 59.95 2ami h LYS 30 Cb 0.82 -0.14 -0.05 0.00 -0.57 0.00 0.00 32.23 32.29 2ami h LYS 30 CO -0.90 0.66 0.63 0.93 -2.06 0.00 0.00 179.45 178.71 2ami h GLU 31 N 0.75 1.28 -0.50 3.15 5.08 -0.83 0.44 114.58 123.95 2ami h GLU 31 Ca 0.19 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2ami h GLU 31 Cb 0.13 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2ami h GLU 31 CO -0.02 0.86 0.21 1.25 -1.00 0.00 0.00 179.01 180.30 2ami h LEU 32 N 1.32 0.68 -0.26 1.33 5.85 -0.33 0.11 115.31 124.00 2ami h LEU 32 Ca 0.35 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.94 2ami h LEU 32 Cb -0.14 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 2ami h LEU 32 CO -0.07 0.65 0.07 0.50 -0.34 0.00 0.00 178.44 179.25 2ami h LYS 33 N 0.66 0.17 -0.28 1.25 3.64 -0.26 0.13 116.57 121.89 2ami h LYS 33 Ca 0.17 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.60 2ami h LYS 33 Cb 0.18 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.90 2ami h LYS 33 CO -0.02 0.11 -0.10 0.28 -2.27 0.00 0.00 179.45 177.45 2ami h VAL 34 N 0.18 0.64 -0.17 2.00 2.07 -0.75 -0.01 116.25 120.22 2ami h VAL 34 Ca 0.12 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.69 2ami h VAL 34 Cb 0.10 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 2ami h VAL 34 CO -0.14 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 177.22 2ami h ALA 35 N 1.19 -0.17 -0.73 1.67 0.00 -0.02 0.22 119.26 121.42 2ami h ALA 35 Ca 0.14 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2ami h ALA 35 Cb 0.27 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2ami h ALA 35 CO -0.31 -0.68 0.47 0.52 0.00 0.00 0.00 179.25 179.25 2ami h MET 36 N -0.28 0.96 0.04 0.00 2.07 -0.48 0.25 114.93 117.51 2ami h MET 36 Ca 0.11 -0.06 0.02 0.00 -2.07 0.00 0.00 59.70 57.70 2ami h MET 36 Cb 0.44 -0.21 -0.05 0.00 -1.87 0.00 0.00 31.60 29.91 2ami h MET 36 CO -0.33 0.65 -0.46 -0.09 1.07 0.00 0.00 176.91 177.75 2ami h ARG 37 N 0.99 -0.62 -0.90 1.72 1.12 -0.37 0.44 114.38 116.75 2ami h ARG 37 Ca 0.27 0.04 0.05 0.00 -1.11 0.00 0.00 59.98 59.22 2ami h ARG 37 Cb -0.10 0.14 -0.06 0.00 -0.01 0.00 0.00 29.97 29.94 2ami h ARG 37 CO -0.06 -0.42 0.58 0.00 -3.11 0.00 0.00 179.97 176.97 2ami h ALA 38 N -0.23 1.22 0.00 2.80 0.00 -0.29 0.34 119.26 123.10 2ami h ALA 38 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ami h ALA 38 Cb 0.70 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2ami h ALA 38 CO -0.31 0.40 0.00 -0.07 0.00 0.00 0.00 179.25 179.27 2ami h LEU 39 N 1.10 0.00 0.00 0.00 3.38 -0.22 -3.46 115.31 116.11 2ami h LEU 39 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2ami h LEU 39 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2ami h LEU 39 CO -0.14 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.00 2ami n GLY 40 N -0.86 1.30 3.93 0.83 0.00 0.11 -5.06 105.19 105.44 2ami n GLY 40 Ca -0.01 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 1.80 -0.43 1.61 0.40 0.07 -5.02 117.98 114.41 2ami s PHE 41 Ca 0.00 0.35 -0.01 0.00 -0.60 0.00 0.00 56.93 56.68 2ami s PHE 41 Cb 0.00 -3.98 0.12 0.00 0.51 0.00 0.00 43.02 39.67 2ami s PHE 41 CO 0.00 -2.48 0.20 -1.21 0.70 0.00 0.00 175.22 172.44 2ami s GLU 42 N -5.81 1.94 -0.07 0.44 0.41 -1.26 -4.57 118.70 109.78 2ami s GLU 42 Ca 0.72 -2.01 -0.21 0.00 -0.41 0.00 0.00 54.97 53.07 2ami s GLU 42 Cb -0.05 -3.49 -0.24 0.00 -1.78 0.00 0.00 34.13 28.57 2ami s GLU 42 CO 0.52 -1.06 1.45 -2.30 -0.49 0.00 0.00 175.26 173.38 2ami n PRO 43 N 4.22 0.15 -1.86 0.39 -0.02 -1.26 -4.89 135.00 131.74 2ami n PRO 43 Ca 0.01 -0.92 -0.40 0.00 -2.02 0.00 0.00 63.50 60.17 2ami n PRO 43 Cb 0.40 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 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 6.18 2.84 0.29 -0.52 1.02 -1.26 -4.87 119.74 123.42 2ami s LYS 44 Ca 0.47 1.28 -0.01 0.00 0.02 0.00 0.00 55.97 57.73 2ami s LYS 44 Cb 0.10 -4.36 0.65 0.00 -0.52 0.00 0.00 37.83 33.70 2ami s LYS 44 CO 0.22 -2.45 1.60 1.57 -0.92 0.00 0.00 175.35 175.37 2ami h LYS 45 N 15.24 0.05 0.75 1.68 2.10 -1.98 0.17 116.57 134.58 2ami h LYS 45 Ca -0.31 -0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.31 2ami h LYS 45 Cb 1.20 -0.01 0.01 0.00 -0.90 0.00 0.00 32.23 32.52 2ami h LYS 45 CO 1.10 0.03 -0.37 0.93 -2.00 0.00 0.00 179.45 179.14 2ami h GLU 46 N 0.05 -0.98 -0.55 0.07 5.08 -1.99 0.62 114.58 116.88 2ami h GLU 46 Ca 0.54 0.07 0.03 0.00 -1.00 0.00 0.00 59.36 59.00 2ami h GLU 46 Cb 1.05 0.22 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 2ami h GLU 46 CO -0.83 -0.66 0.32 0.93 -1.00 0.00 0.00 179.01 177.77 2ami h GLU 47 N -1.02 0.61 0.21 2.33 3.07 -1.66 0.07 114.58 118.19 2ami h GLU 47 Ca -0.10 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 58.73 2ami h GLU 47 Cb 0.79 -0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 28.52 2ami h GLU 47 CO 0.16 0.41 -0.43 0.82 -1.40 0.00 0.00 179.01 178.57 2ami h ILE 48 N 0.63 0.15 -0.36 3.13 1.08 -0.90 0.46 117.51 121.70 2ami h ILE 48 Ca 0.23 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.73 2ami h ILE 48 Cb 0.05 0.15 -0.03 0.00 -3.07 0.00 0.00 36.82 33.91 2ami h ILE 48 CO -0.11 0.00 0.16 0.11 -0.69 0.00 0.00 178.15 177.61 2ami h LYS 49 N -0.72 0.32 0.39 2.37 1.79 -0.43 0.83 116.57 121.11 2ami h LYS 49 Ca 0.00 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2ami h LYS 49 Cb 0.71 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.26 2ami h LYS 49 CO -0.19 0.21 -0.43 0.87 -1.08 0.00 0.00 179.45 178.82 2ami h LYS 50 N 0.33 -0.82 -0.01 3.15 1.57 -0.81 0.51 116.57 120.49 2ami h LYS 50 Ca 0.15 0.06 0.03 0.00 -1.87 0.00 0.00 60.65 59.02 2ami h LYS 50 Cb 0.09 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 2ami h LYS 50 CO -0.13 -0.55 -0.15 1.98 -0.57 0.00 0.00 179.45 180.03 2ami h MET 51 N -0.85 -0.24 -0.45 3.15 4.05 -0.67 -0.00 114.93 119.92 2ami h MET 51 Ca -0.03 0.02 0.09 0.00 -0.28 0.00 0.00 59.70 59.50 2ami h MET 51 Cb 0.76 0.05 -0.09 0.00 -0.80 0.00 0.00 31.60 31.53 2ami h MET 51 CO -0.09 -0.16 -0.18 0.82 0.23 0.00 0.00 176.91 177.53 2ami h ILE 52 N -0.25 0.43 -0.15 1.77 2.04 -0.74 0.50 117.51 121.12 2ami h ILE 52 Ca 0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.94 2ami h ILE 52 Cb 0.32 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 2ami h ILE 52 CO -0.16 0.00 -0.01 0.28 0.00 0.00 0.00 178.15 178.26 2ami h SER 53 N -0.08 -0.08 -0.71 1.72 0.02 -0.13 0.32 113.55 114.61 2ami h SER 53 Ca 0.22 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.26 2ami h SER 53 Cb 0.41 0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.97 2ami h SER 53 CO -0.51 -0.02 0.41 -0.33 -1.14 0.00 0.00 176.83 175.24 2ami h GLU 54 N 0.03 0.73 -0.13 3.45 4.39 -0.19 -2.24 114.58 120.62 2ami h GLU 54 Ca 0.07 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.57 2ami h GLU 54 Cb 0.09 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2ami h GLU 54 CO -0.13 0.48 -0.58 0.82 -1.16 0.00 0.00 179.01 178.44 2ami h ILE 55 N 0.75 1.35 -0.11 3.13 1.08 -0.48 -3.39 117.51 119.83 2ami h ILE 55 Ca 0.31 -1.88 -0.69 0.00 -0.39 0.00 0.00 64.86 62.21 2ami h ILE 55 Cb 0.18 1.88 -0.04 0.00 -3.07 0.00 0.00 36.82 35.77 2ami h ILE 55 CO -0.18 0.57 2.91 -0.67 -0.69 0.00 0.00 178.15 180.09 2ami n ASP 56 N -3.92 3.86 -0.07 1.72 2.03 0.11 -4.69 116.55 115.59 2ami n ASP 56 Ca -0.03 -2.83 -0.11 0.00 0.52 0.00 0.00 54.79 52.34 2ami n ASP 56 Cb 0.61 -1.62 -0.05 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 6.44 0.36 0.00 -0.67 1.79 -1.78 -3.42 116.57 119.29 2ami h LYS 57 Ca 0.54 -0.11 -0.01 0.00 -2.18 0.00 0.00 60.65 58.89 2ami h LYS 57 Cb 0.68 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.29 2ami h LYS 57 CO 1.83 0.54 -1.03 -3.47 -1.08 0.00 0.00 179.45 176.24 2ami n ASP 58 N -4.70 3.93 0.34 0.86 2.03 -1.26 -4.81 116.55 112.93 2ami n ASP 58 Ca -0.04 -0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.44 2ami n ASP 58 Cb 0.22 -0.01 0.95 0.00 -0.72 0.00 0.00 41.12 41.56 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 0.05 0.00 -6.30 0.27 0.00 -1.80 -3.46 103.07 91.82 2ami h GLY 59 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.91 2ami h GLY 59 CO -0.00 0.00 -0.85 1.44 0.00 0.00 0.00 176.54 177.13 2ami n SER 60 N -2.96 -5.45 0.00 0.19 7.64 -1.26 -1.30 113.62 110.48 2ami n SER 60 Ca -0.02 -0.91 0.00 0.00 1.01 0.00 0.00 58.87 58.95 2ami n SER 60 Cb 0.28 -3.08 0.00 0.00 -1.01 0.00 0.00 64.21 60.41 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 2.97 3.99 0.23 0.00 -1.26 -5.02 105.19 104.36 2ami n GLY 61 Ca -0.13 -0.02 -0.21 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 -2.77 2.27 -0.14 2.61 -4.23 -0.42 -1.26 115.64 111.70 2ami s THR 62 Ca 0.00 -1.14 -0.00 0.00 -1.18 0.00 0.00 61.69 59.37 2ami s THR 62 Cb 0.00 -2.41 0.03 0.00 1.34 0.00 0.00 72.50 71.46 2ami s THR 62 CO 0.00 0.00 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.37 2ami s ILE 63 N -2.61 1.17 0.86 2.99 -1.09 0.13 -4.14 121.20 118.51 2ami s ILE 63 Ca 0.53 -0.47 -0.12 0.00 -2.23 0.00 0.00 60.65 58.36 2ami s ILE 63 Cb -0.05 -1.21 0.11 0.00 -1.58 0.00 0.00 42.46 39.72 2ami s ILE 63 CO 0.33 0.31 1.16 1.51 -1.23 0.00 0.00 174.94 177.02 2ami s ASP 64 N 1.64 3.98 0.36 3.58 1.47 -1.26 -0.53 116.67 125.90 2ami s ASP 64 Ca 0.04 0.88 0.05 0.00 1.18 0.00 0.00 52.55 54.69 2ami s ASP 64 Cb -0.13 -1.41 0.71 0.00 -0.34 0.00 0.00 42.92 41.74 2ami s ASP 64 CO -0.08 -2.25 1.98 0.15 0.68 0.00 0.00 175.17 175.64 2ami h PHE 65 N -1.29 0.77 0.01 2.11 3.57 -1.99 0.67 116.94 120.79 2ami h PHE 65 Ca -0.48 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.04 2ami h PHE 65 Cb 1.33 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.81 2ami h PHE 65 CO 0.30 0.44 -0.00 0.93 -2.23 0.00 0.00 178.31 177.74 2ami h GLU 66 N 0.79 -0.01 -0.28 1.11 5.08 -1.98 0.14 114.58 119.42 2ami h GLU 66 Ca 0.28 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.70 2ami h GLU 66 Cb 0.13 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 2ami h GLU 66 CO -0.08 0.46 -0.08 0.93 -1.00 0.00 0.00 179.01 179.23 2ami h GLU 67 N -0.48 -0.02 0.24 2.33 5.08 -1.86 0.49 114.58 120.35 2ami h GLU 67 Ca -0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2ami h GLU 67 Cb 0.47 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2ami h GLU 67 CO 0.00 -0.01 -0.27 0.35 -1.00 0.00 0.00 179.01 178.08 2ami h PHE 68 N -0.02 -0.72 -0.53 4.33 3.57 -0.77 0.11 116.94 122.91 2ami h PHE 68 Ca 0.14 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.74 2ami h PHE 68 Cb 0.23 0.28 -0.07 0.00 2.79 0.00 0.00 35.95 39.18 2ami h PHE 68 CO -0.28 -0.39 0.11 1.25 -2.23 0.00 0.00 178.31 176.77 2ami h LEU 69 N -0.55 0.01 -0.02 0.59 5.85 -0.47 0.11 115.31 120.84 2ami h LEU 69 Ca 0.00 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.84 2ami h LEU 69 Cb 0.52 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 2ami h LEU 69 CO -0.08 0.03 -0.14 0.74 -0.34 0.00 0.00 178.44 178.65 2ami h THR 70 N 0.25 0.65 0.29 1.05 2.02 -0.53 0.10 112.91 116.73 2ami h THR 70 Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.45 2ami h THR 70 Cb 0.37 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 2ami h THR 70 CO -0.35 0.00 -0.37 -0.03 0.37 0.00 0.00 175.52 175.14 2ami h MET 71 N -0.23 -0.68 -0.63 6.66 1.85 -0.12 0.89 114.93 122.67 2ami h MET 71 Ca 0.05 0.05 0.09 0.00 -0.61 0.00 0.00 59.70 59.28 2ami h MET 71 Cb 0.30 0.16 -0.07 0.00 0.43 0.00 0.00 31.60 32.41 2ami h MET 71 CO -0.15 -0.46 0.27 0.52 -0.40 0.00 0.00 176.91 176.69 2ami h MET 72 N -0.71 0.46 0.04 0.39 2.07 -0.61 0.95 114.93 117.51 2ami h MET 72 Ca -0.01 -0.03 0.02 0.00 -2.07 0.00 0.00 59.70 57.61 2ami h MET 72 Cb 0.67 -0.10 -0.03 0.00 -1.87 0.00 0.00 31.60 30.27 2ami h MET 72 CO -0.11 0.30 -0.16 1.15 1.07 0.00 0.00 176.91 179.16 2ami h THR 73 N 0.47 0.62 -0.62 2.22 2.02 -0.50 -2.64 112.91 114.47 2ami h THR 73 Ca 0.32 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.57 2ami h THR 73 Cb 0.37 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 2ami h THR 73 CO -0.29 0.00 0.41 0.00 0.37 0.00 0.00 175.52 176.02 2ami h ALA 74 N 0.61 1.86 0.00 6.16 0.00 0.69 0.57 119.26 129.15 2ami h ALA 74 Ca 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2ami h ALA 74 Cb 0.33 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2ami h ALA 74 CO -0.12 0.02 -0.04 0.87 0.00 0.00 0.00 179.25 179.98 2ami h LYS 75 N 0.55 0.00 0.00 0.00 1.79 -0.51 -3.51 116.57 114.89 2ami h LYS 75 Ca 0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 2ami h LYS 75 Cb 0.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 2ami h LYS 75 CO -0.08 0.04 0.00 0.00 -1.08 0.00 0.00 179.45 178.33