#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 2.76 -3.62 8.89 0.31 -1.26 -4.72 118.33 120.68 2ami n VAL 2 Ca 0.00 -2.65 0.00 0.00 -0.01 0.00 0.00 64.34 61.68 2ami n VAL 2 Cb 0.00 -2.36 0.00 0.00 -0.91 0.00 0.00 33.84 30.57 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 4.94 0.79 3.59 2.92 0.00 -1.26 -5.10 105.19 111.07 2ami n GLY 3 Ca 0.49 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 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 3.47 0.98 0.99 1.43 -1.26 -5.00 118.68 119.29 2ami s LEU 4 Ca 0.00 1.00 -0.11 0.00 -1.03 0.00 0.00 54.13 53.99 2ami s LEU 4 Cb 0.00 -3.28 0.18 0.00 0.03 0.00 0.00 46.19 43.12 2ami s LEU 4 CO 0.00 -1.83 1.09 0.42 0.23 0.00 0.00 176.35 176.26 2ami s THR 5 N 7.20 2.32 0.21 5.49 -4.23 -1.26 -4.73 115.64 120.65 2ami s THR 5 Ca 0.74 0.10 -0.10 0.00 -1.18 0.00 0.00 61.69 61.26 2ami s THR 5 Cb -0.19 -2.34 0.18 0.00 1.34 0.00 0.00 72.50 71.49 2ami s THR 5 CO 0.30 -0.14 1.69 -0.33 -0.54 0.00 0.00 174.62 175.61 2ami h GLU 6 N -1.96 0.21 -0.29 3.99 3.07 -1.98 0.52 114.58 118.13 2ami h GLU 6 Ca -0.51 -0.01 0.07 0.00 -0.50 0.00 0.00 59.36 58.40 2ami h GLU 6 Cb 1.29 -0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 29.08 2ami h GLU 6 CO 0.50 0.14 -0.21 0.93 -1.40 0.00 0.00 179.01 178.97 2ami h GLU 7 N 0.21 -0.18 -0.26 2.33 3.07 -1.99 0.25 114.58 118.01 2ami h GLU 7 Ca 0.33 0.01 0.03 0.00 -0.50 0.00 0.00 59.36 59.23 2ami h GLU 7 Cb 0.51 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.43 2ami h GLU 7 CO -0.45 -0.12 0.07 1.96 -1.40 0.00 0.00 179.01 179.07 2ami h GLN 8 N -0.19 0.17 -0.96 2.33 4.20 -1.63 -0.93 115.11 118.11 2ami h GLN 8 Ca 0.15 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.89 2ami h GLN 8 Cb 0.42 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.11 2ami h GLN 8 CO -0.40 0.11 0.63 0.87 -0.67 0.00 0.00 178.83 179.37 2ami h LYS 9 N 0.18 1.17 0.16 1.46 1.57 0.13 0.14 116.57 121.38 2ami h LYS 9 Ca 0.12 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2ami h LYS 9 Cb 0.10 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 2ami h LYS 9 CO -0.14 0.77 -0.15 1.96 -0.57 0.00 0.00 179.45 181.33 2ami h GLN 10 N 1.21 -0.32 -0.45 3.15 4.20 -0.14 0.10 115.11 122.85 2ami h GLN 10 Ca 0.39 0.02 0.03 0.00 0.06 0.00 0.00 58.65 59.15 2ami h GLN 10 Cb 0.02 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 2ami h GLN 10 CO -0.13 -0.21 0.25 0.93 -0.67 0.00 0.00 178.83 179.00 2ami h GLU 11 N -0.33 0.49 -0.47 1.46 4.39 -0.52 0.91 114.58 120.50 2ami h GLU 11 Ca -0.00 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.72 2ami h GLU 11 Cb 0.31 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.80 2ami h GLU 11 CO -0.03 0.33 0.20 0.82 -1.16 0.00 0.00 179.01 179.17 2ami h ILE 12 N 0.51 0.90 -0.46 3.13 2.04 -0.57 0.67 117.51 123.73 2ami h ILE 12 Ca 0.19 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 2ami h ILE 12 Cb 0.05 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 2ami h ILE 12 CO -0.10 0.07 0.25 -0.09 0.00 0.00 0.00 178.15 178.28 2ami h ARG 13 N 0.40 0.64 0.22 2.37 9.65 -0.14 0.13 114.38 127.65 2ami h ARG 13 Ca 0.22 -0.08 0.01 0.00 -1.10 0.00 0.00 59.98 59.03 2ami h ARG 13 Cb 0.18 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.61 2ami h ARG 13 CO -0.19 0.51 -0.29 1.49 2.80 0.00 0.00 179.97 184.29 2ami h GLU 14 N 0.60 -0.55 -0.30 0.20 4.22 -0.23 0.15 114.58 118.66 2ami h GLU 14 Ca 0.16 0.04 0.06 0.00 0.08 0.00 0.00 59.36 59.69 2ami h GLU 14 Cb 0.06 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 2ami h GLU 14 CO -0.03 -0.37 -0.03 0.00 -2.18 0.00 0.00 179.01 176.41 2ami h ALA 15 N 0.06 0.24 -0.25 2.92 0.00 -0.77 -0.14 119.26 121.32 2ami h ALA 15 Ca 0.01 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.08 2ami h ALA 15 Cb 0.55 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 2ami h ALA 15 CO -0.11 -0.43 -0.22 0.35 0.00 0.00 0.00 179.25 178.85 2ami h PHE 16 N 0.05 -0.57 -0.24 0.00 3.57 -0.40 -0.03 116.94 119.33 2ami h PHE 16 Ca 0.15 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.72 2ami h PHE 16 Cb 0.21 0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 2ami h PHE 16 CO -0.25 -0.29 0.01 0.22 -2.23 0.00 0.00 178.31 175.77 2ami h ASP 17 N -0.22 -0.06 -0.01 0.41 3.58 -0.10 0.20 116.42 120.22 2ami h ASP 17 Ca 0.14 0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.67 2ami h ASP 17 Cb 0.43 0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.51 2ami h ASP 17 CO -0.38 -0.00 -0.29 0.25 -2.88 0.00 0.00 179.24 175.94 2ami h LEU 18 N 0.09 -0.87 -0.63 2.28 5.85 -0.48 -2.72 115.31 118.83 2ami h LEU 18 Ca 0.11 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 2ami h LEU 18 Cb 0.14 0.36 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 2ami h LEU 18 CO -0.18 -0.36 0.35 -0.26 -0.34 0.00 0.00 178.44 177.65 2ami h PHE 19 N -0.44 0.87 0.00 1.25 0.04 -0.63 -3.17 116.94 114.86 2ami h PHE 19 Ca 0.06 -0.02 -0.55 0.00 2.80 0.00 0.00 57.97 60.26 2ami h PHE 19 Cb 0.53 -0.28 0.02 0.00 2.20 0.00 0.00 35.95 38.42 2ami h PHE 19 CO -0.32 0.62 3.03 -3.47 -0.60 0.00 0.00 178.31 177.57 2ami n ASP 20 N -4.55 5.66 -0.13 2.17 2.03 0.68 -4.64 116.55 117.78 2ami n ASP 20 Ca 0.05 -2.52 0.17 0.00 0.52 0.00 0.00 54.79 53.01 2ami n ASP 20 Cb 0.09 -1.31 0.56 0.00 -0.72 0.00 0.00 41.12 39.73 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 3.52 0.77 0.00 5.18 1.35 -1.65 0.15 112.91 122.22 2ami h THR 21 Ca 0.61 -0.10 -0.01 0.00 -0.55 0.00 0.00 66.41 66.36 2ami h THR 21 Cb 0.33 0.44 -0.00 0.00 -1.73 0.00 0.00 68.15 67.19 2ami h THR 21 CO 1.68 0.05 -0.04 0.44 -0.25 0.00 0.00 175.52 177.40 2ami h ASP 22 N 0.30 0.00 -2.38 5.36 3.32 -1.90 -3.46 116.42 117.65 2ami h ASP 22 Ca 0.35 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 57.03 2ami h ASP 22 Cb 0.93 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.44 2ami h ASP 22 CO -0.09 0.04 -0.45 0.61 -1.72 0.00 0.00 179.24 177.64 2ami n GLY 23 N -0.73 -0.11 0.83 2.75 0.00 0.51 -4.89 105.19 103.55 2ami n GLY 23 Ca -0.02 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.41 2.41 -0.79 1.61 3.41 -1.26 -4.88 113.62 112.70 2ami n SER 24 Ca -0.21 -1.96 -0.10 0.00 -0.26 0.00 0.00 58.87 56.33 2ami n SER 24 Cb 0.66 -0.28 -0.04 0.00 -0.26 0.00 0.00 64.21 64.28 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 1.23 1.10 3.09 5.00 0.00 -1.26 -4.95 105.19 109.40 2ami n GLY 25 Ca 0.16 -0.19 -0.12 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 -2.14 -0.40 -0.47 2.61 -4.23 -1.26 -2.36 115.64 107.39 2ami s THR 26 Ca 0.00 0.23 -0.29 0.00 -1.18 0.00 0.00 61.69 60.45 2ami s THR 26 Cb 0.00 -0.50 0.03 0.00 1.34 0.00 0.00 72.50 73.37 2ami s THR 26 CO 0.00 0.10 1.12 -0.63 -0.54 0.00 0.00 174.62 174.67 2ami s ILE 27 N 2.28 4.24 0.59 2.99 1.01 0.21 -4.82 121.20 127.68 2ami s ILE 27 Ca -0.01 1.22 -0.20 0.00 0.00 0.00 0.00 60.65 61.66 2ami s ILE 27 Cb -0.12 -4.59 -0.03 0.00 0.01 0.00 0.00 42.46 37.73 2ami s ILE 27 CO -0.10 -0.98 1.27 -0.62 0.00 0.00 0.00 174.94 174.52 2ami s ASP 28 N 2.41 5.11 0.30 3.58 -1.08 -1.26 -0.50 116.67 125.22 2ami s ASP 28 Ca 0.47 2.57 0.03 0.00 -0.52 0.00 0.00 52.55 55.09 2ami s ASP 28 Cb -0.08 -2.62 0.76 0.00 -1.46 0.00 0.00 42.92 39.53 2ami s ASP 28 CO 0.31 -1.66 1.51 0.00 0.52 0.00 0.00 175.17 175.84 2ami n ALA 29 N -1.44 0.52 -0.06 3.66 0.00 0.42 -0.12 120.51 123.50 2ami n ALA 29 Ca 0.13 1.03 -0.09 0.00 0.00 0.00 0.00 53.44 54.51 2ami n ALA 29 Cb 0.48 -0.77 -0.02 0.00 0.00 0.00 0.00 19.45 19.14 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 0.25 -0.89 0.00 1.57 -1.91 0.13 116.57 115.73 2ami h LYS 30 Ca 0.60 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.34 2ami h LYS 30 Cb 1.25 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.46 2ami h LYS 30 CO -0.90 0.17 0.49 0.93 -0.57 0.00 0.00 179.45 179.57 2ami h GLU 31 N 0.26 1.23 -0.58 3.15 5.08 -0.85 -0.21 114.58 122.66 2ami h GLU 31 Ca 0.09 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2ami h GLU 31 Cb 0.01 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 2ami h GLU 31 CO -0.06 0.90 0.21 1.25 -1.00 0.00 0.00 179.01 180.31 2ami h LEU 32 N 1.24 0.82 -0.29 1.33 5.85 -0.34 0.95 115.31 124.87 2ami h LEU 32 Ca 0.31 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.88 2ami h LEU 32 Cb 0.02 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 2ami h LEU 32 CO -0.05 0.79 0.11 0.50 -0.34 0.00 0.00 178.44 179.44 2ami h LYS 33 N 0.81 0.23 -0.33 1.25 3.64 -0.21 0.16 116.57 122.13 2ami h LYS 33 Ca 0.19 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.62 2ami h LYS 33 Cb 0.24 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.95 2ami h LYS 33 CO -0.01 0.15 -0.03 0.28 -2.27 0.00 0.00 179.45 177.57 2ami h VAL 34 N 0.24 0.72 -0.37 2.00 2.07 -0.72 0.94 116.25 121.12 2ami h VAL 34 Ca 0.13 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.70 2ami h VAL 34 Cb 0.09 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 2ami h VAL 34 CO -0.12 0.01 -0.01 0.00 0.02 0.00 0.00 177.57 177.46 2ami h ALA 35 N 1.30 0.33 -0.93 1.67 0.00 -0.17 0.11 119.26 121.58 2ami h ALA 35 Ca 0.16 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2ami h ALA 35 Cb 0.23 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2ami h ALA 35 CO -0.30 -0.40 0.54 0.52 0.00 0.00 0.00 179.25 179.61 2ami h MET 36 N 0.09 1.27 -0.67 0.00 2.07 -0.16 0.19 114.93 117.72 2ami h MET 36 Ca 0.18 -0.13 0.01 0.00 -2.07 0.00 0.00 59.70 57.69 2ami h MET 36 Cb 0.26 -0.26 -0.03 0.00 -1.87 0.00 0.00 31.60 29.70 2ami h MET 36 CO -0.32 0.90 0.44 0.00 1.07 0.00 0.00 176.91 179.00 2ami h ARG 37 N 1.29 0.88 -0.81 1.72 2.47 0.01 0.81 114.38 120.75 2ami h ARG 37 Ca 0.33 -0.06 0.03 0.00 -1.26 0.00 0.00 59.98 59.03 2ami h ARG 37 Cb -0.03 -0.20 -0.05 0.00 -1.65 0.00 0.00 29.97 28.05 2ami h ARG 37 CO -0.06 0.59 0.53 0.00 0.56 0.00 0.00 179.97 181.59 2ami h ALA 38 N 1.24 1.51 0.00 0.04 0.00 0.46 0.13 119.26 122.63 2ami h ALA 38 Ca 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2ami h ALA 38 Cb -0.09 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.41 2ami h ALA 38 CO -0.05 0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.89 2ami n LEU 39 N -4.45 0.00 -0.57 0.00 4.77 0.53 -4.88 117.00 112.40 2ami n LEU 39 Ca 0.10 0.04 -0.06 0.00 -0.03 0.00 0.00 56.01 56.07 2ami n LEU 39 Cb 0.11 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 2ami n LEU 39 CO 0.35 -0.02 -0.07 0.61 -1.33 0.00 0.00 177.39 176.94 2ami n GLY 40 N 0.29 0.43 3.90 -0.72 0.00 0.45 -5.03 105.19 104.51 2ami n GLY 40 Ca 0.14 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.26 3.13 -0.37 1.61 0.40 0.18 -4.99 117.98 115.68 2ami s PHE 41 Ca 0.00 0.76 -0.07 0.00 -0.60 0.00 0.00 56.93 57.02 2ami s PHE 41 Cb 0.00 -3.13 0.06 0.00 0.51 0.00 0.00 43.02 40.46 2ami s PHE 41 CO 0.00 -1.29 0.16 -2.00 0.70 0.00 0.00 175.22 172.78 2ami s GLU 42 N -5.31 2.53 -0.66 0.44 2.12 -1.26 -4.57 118.70 111.99 2ami s GLU 42 Ca 0.59 -1.34 -0.24 0.00 0.36 0.00 0.00 54.97 54.33 2ami s GLU 42 Cb -0.11 -3.56 -0.24 0.00 0.26 0.00 0.00 34.13 30.49 2ami s GLU 42 CO 0.48 -0.80 1.80 -2.30 -0.54 0.00 0.00 175.26 173.90 2ami n PRO 43 N 4.81 0.05 -1.87 4.30 -0.02 -1.26 -4.85 135.00 136.17 2ami n PRO 43 Ca -0.11 -1.27 -0.22 0.00 -2.02 0.00 0.00 63.50 59.88 2ami n PRO 43 Cb 0.44 -3.15 -0.08 0.00 -0.02 0.00 0.00 33.50 30.69 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 7.56 1.98 0.12 -0.52 1.02 -1.26 -4.84 119.74 123.80 2ami s LYS 44 Ca 0.66 -0.65 -0.12 0.00 0.02 0.00 0.00 55.97 55.88 2ami s LYS 44 Cb 0.01 -5.09 0.10 0.00 -0.52 0.00 0.00 37.83 32.32 2ami s LYS 44 CO 0.20 -4.46 0.87 1.63 -0.92 0.00 0.00 175.35 172.67 2ami n LYS 45 N 8.37 -0.16 0.18 1.68 5.02 -1.26 -0.63 118.16 131.37 2ami n LYS 45 Ca 0.43 0.87 -0.14 0.00 -2.02 0.00 0.00 58.31 57.44 2ami n LYS 45 Cb 0.46 -1.28 -0.08 0.00 -0.02 0.00 0.00 35.03 34.12 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 -0.42 -0.70 1.97 3.07 -1.99 0.98 114.58 117.49 2ami h GLU 46 Ca 0.17 0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.03 2ami h GLU 46 Cb 0.31 0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.29 2ami h GLU 46 CO -0.55 -0.28 0.32 0.93 -1.40 0.00 0.00 179.01 178.03 2ami h GLU 47 N -0.43 1.02 -0.03 2.33 3.07 -1.28 -0.42 114.58 118.84 2ami h GLU 47 Ca -0.03 -0.16 0.03 0.00 -0.50 0.00 0.00 59.36 58.70 2ami h GLU 47 Cb 0.35 -0.18 -0.04 0.00 -0.84 0.00 0.00 28.75 28.04 2ami h GLU 47 CO 0.04 0.82 -0.19 0.82 -1.40 0.00 0.00 179.01 179.10 2ami h ILE 48 N 0.98 0.54 0.01 3.13 1.08 -0.62 0.97 117.51 123.60 2ami h ILE 48 Ca 0.24 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.72 2ami h ILE 48 Cb 0.15 0.54 -0.02 0.00 -3.07 0.00 0.00 36.82 34.42 2ami h ILE 48 CO -0.03 0.00 -0.09 0.50 -0.69 0.00 0.00 178.15 177.84 2ami h LYS 49 N -0.29 -0.15 0.08 2.37 3.11 -0.39 0.36 116.57 121.66 2ami h LYS 49 Ca 0.07 0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.94 2ami h LYS 49 Cb 0.38 0.03 -0.04 0.00 -1.00 0.00 0.00 32.23 31.60 2ami h LYS 49 CO -0.20 -0.10 -0.35 0.87 -2.81 0.00 0.00 179.45 176.85 2ami h LYS 50 N -0.16 -0.54 -0.02 1.90 1.79 -0.87 0.70 116.57 119.37 2ami h LYS 50 Ca 0.03 0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.57 2ami h LYS 50 Cb 0.20 0.12 -0.06 0.00 -1.58 0.00 0.00 32.23 30.91 2ami h LYS 50 CO -0.09 -0.36 -0.45 1.98 -1.08 0.00 0.00 179.45 179.46 2ami h MET 51 N -0.56 -0.57 -0.76 3.15 4.05 -0.55 0.59 114.93 120.28 2ami h MET 51 Ca 0.04 0.04 0.14 0.00 -0.28 0.00 0.00 59.70 59.64 2ami h MET 51 Cb 0.61 0.13 -0.10 0.00 -0.80 0.00 0.00 31.60 31.44 2ami h MET 51 CO -0.23 -0.38 0.31 0.82 0.23 0.00 0.00 176.91 177.66 2ami h ILE 52 N -0.59 0.66 -0.05 1.77 2.04 -0.68 0.32 117.51 120.98 2ami h ILE 52 Ca 0.04 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 2ami h ILE 52 Cb 0.67 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2ami h ILE 52 CO -0.34 0.08 0.03 0.28 0.00 0.00 0.00 178.15 178.20 2ami h SER 53 N 0.45 0.06 -0.53 1.72 0.02 0.12 0.32 113.55 115.72 2ami h SER 53 Ca 0.42 -0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.31 2ami h SER 53 Cb 0.63 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.12 2ami h SER 53 CO -0.40 0.13 0.30 -0.33 -1.14 0.00 0.00 176.83 175.39 2ami h GLU 54 N -0.01 0.57 -0.10 3.45 4.39 0.21 -2.61 114.58 120.47 2ami h GLU 54 Ca 0.02 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.53 2ami h GLU 54 Cb 0.09 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2ami h GLU 54 CO -0.00 0.38 -0.61 0.82 -1.16 0.00 0.00 179.01 178.44 2ami h ILE 55 N 0.59 1.37 -2.36 3.13 1.08 -0.83 -3.39 117.51 117.10 2ami h ILE 55 Ca 0.22 -1.96 -0.70 0.00 -0.39 0.00 0.00 64.86 62.04 2ami h ILE 55 Cb 0.07 1.96 -0.18 0.00 -3.07 0.00 0.00 36.82 35.60 2ami h ILE 55 CO -0.12 0.59 0.92 -0.62 -0.69 0.00 0.00 178.15 178.23 2ami s ASP 56 N -6.92 6.70 0.58 1.72 -1.08 0.11 -4.86 116.67 112.92 2ami s ASP 56 Ca -0.05 -2.19 0.38 0.00 -0.52 0.00 0.00 52.55 50.16 2ami s ASP 56 Cb 0.11 -2.40 1.82 0.00 -1.46 0.00 0.00 42.92 41.00 2ami s ASP 56 CO 0.82 -1.02 2.13 0.11 0.52 0.00 0.00 175.17 177.73 2ami h LYS 57 N 8.58 0.00 0.12 4.34 6.56 -1.77 -2.24 116.57 132.16 2ami h LYS 57 Ca 0.18 0.00 -0.20 0.00 -1.06 0.00 0.00 60.65 59.58 2ami h LYS 57 Cb 1.00 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.67 2ami h LYS 57 CO 1.13 0.00 -0.92 0.22 -2.06 0.00 0.00 179.45 177.82 2ami h ASP 58 N 0.00 0.40 0.00 0.86 1.82 -1.90 -3.49 116.42 114.11 2ami h ASP 58 Ca 0.00 -0.92 0.00 0.00 -0.39 0.00 0.00 57.03 55.72 2ami h ASP 58 Cb 0.25 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.13 2ami h ASP 58 CO 0.00 1.43 0.00 0.61 -1.61 0.00 0.00 179.24 179.67 2ami n GLY 59 N 1.68 1.97 1.47 -0.78 0.00 -0.84 -5.00 105.19 103.69 2ami n GLY 59 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 4.69 -3.78 1.61 7.64 -1.26 -4.71 113.62 117.80 2ami n SER 60 Ca 0.00 -2.25 -0.29 0.00 1.01 0.00 0.00 58.87 57.34 2ami n SER 60 Cb 0.00 -0.98 0.03 0.00 -1.01 0.00 0.00 64.21 62.25 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 1.42 -0.50 2.77 0.23 0.00 -1.26 -4.94 105.19 102.91 2ami n GLY 61 Ca 0.00 0.18 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.25 0.17 -0.54 2.61 -4.23 -1.26 -0.43 115.64 108.70 2ami s THR 62 Ca 0.62 0.18 -0.21 0.00 -1.18 0.00 0.00 61.69 61.10 2ami s THR 62 Cb -0.31 -0.32 0.06 0.00 1.34 0.00 0.00 72.50 73.27 2ami s THR 62 CO 0.76 0.19 0.75 -0.63 -0.54 0.00 0.00 174.62 175.15 2ami s ILE 63 N 1.57 4.68 0.65 2.99 -1.09 0.34 -4.74 121.20 125.60 2ami s ILE 63 Ca -0.02 -0.34 -0.17 0.00 -2.23 0.00 0.00 60.65 57.89 2ami s ILE 63 Cb -0.13 -4.42 -0.01 0.00 -1.58 0.00 0.00 42.46 36.32 2ami s ILE 63 CO -0.03 -0.99 1.24 -0.62 -1.23 0.00 0.00 174.94 173.30 2ami s ASP 64 N 2.94 4.70 0.25 3.58 -1.08 -1.26 -0.62 116.67 125.18 2ami s ASP 64 Ca 0.19 2.45 -0.07 0.00 -0.52 0.00 0.00 52.55 54.61 2ami s ASP 64 Cb -0.18 -2.60 0.45 0.00 -1.46 0.00 0.00 42.92 39.13 2ami s ASP 64 CO 0.13 -1.93 1.62 0.15 0.52 0.00 0.00 175.17 175.66 2ami h PHE 65 N 0.41 -0.12 -0.79 -5.34 3.57 -1.87 0.64 116.94 113.45 2ami h PHE 65 Ca -0.50 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.10 2ami h PHE 65 Cb 1.31 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 40.18 2ami h PHE 65 CO 0.45 -0.28 0.50 0.93 -2.23 0.00 0.00 178.31 177.68 2ami h GLU 66 N 0.07 0.94 -0.29 1.11 5.08 -1.91 0.15 114.58 119.73 2ami h GLU 66 Ca 0.42 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.68 2ami h GLU 66 Cb 0.75 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2ami h GLU 66 CO -0.72 0.62 0.01 0.93 -1.00 0.00 0.00 179.01 178.85 2ami h GLU 67 N 0.96 0.50 -0.21 2.33 5.08 -1.30 0.55 114.58 122.49 2ami h GLU 67 Ca 0.32 -0.16 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 2ami h GLU 67 Cb 0.04 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 2ami h GLU 67 CO -0.12 0.65 -0.05 0.35 -1.00 0.00 0.00 179.01 178.84 2ami h PHE 68 N 0.30 -0.10 -0.30 4.33 3.57 -0.55 0.99 116.94 125.18 2ami h PHE 68 Ca 0.08 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.66 2ami h PHE 68 Cb 0.42 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.18 2ami h PHE 68 CO 0.03 -0.08 -0.05 1.25 -2.23 0.00 0.00 178.31 177.23 2ami h LEU 69 N 0.01 -0.24 -0.23 0.59 6.46 -0.51 0.37 115.31 121.76 2ami h LEU 69 Ca 0.10 0.08 0.04 0.00 -0.12 0.00 0.00 57.88 57.99 2ami h LEU 69 Cb 0.15 0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.21 2ami h LEU 69 CO -0.21 -0.08 -0.03 0.74 -0.62 0.00 0.00 178.44 178.24 2ami h THR 70 N 0.02 0.80 -0.19 1.05 2.02 -0.33 0.31 112.91 116.59 2ami h THR 70 Ca 0.15 -0.01 0.05 0.00 0.77 0.00 0.00 66.41 67.36 2ami h THR 70 Cb 0.22 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 2ami h THR 70 CO -0.29 0.01 -0.14 -0.03 0.37 0.00 0.00 175.52 175.43 2ami h MET 71 N 0.03 -0.14 -0.29 6.66 1.85 -0.15 0.77 114.93 123.66 2ami h MET 71 Ca 0.11 0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.18 2ami h MET 71 Cb 0.16 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.20 2ami h MET 71 CO -0.21 -0.09 0.03 0.52 -0.40 0.00 0.00 176.91 176.75 2ami h MET 72 N -0.15 0.42 -0.68 0.39 2.07 -0.47 0.30 114.93 116.82 2ami h MET 72 Ca 0.11 -0.07 -0.04 0.00 -2.07 0.00 0.00 59.70 57.64 2ami h MET 72 Cb 0.32 -0.07 -0.03 0.00 -1.87 0.00 0.00 31.60 29.95 2ami h MET 72 CO -0.28 0.43 0.29 1.15 1.07 0.00 0.00 176.91 179.57 2ami h THR 73 N 0.42 1.24 -0.05 2.22 2.02 0.71 0.17 112.91 119.63 2ami h THR 73 Ca 0.10 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 2ami h THR 73 Cb 0.23 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 2ami h THR 73 CO 0.00 0.29 0.01 0.00 0.37 0.00 0.00 175.52 176.19 2ami h ALA 74 N 1.13 0.06 -0.02 6.16 0.00 -0.01 -3.33 119.26 123.25 2ami h ALA 74 Ca 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2ami h ALA 74 Cb 0.19 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2ami h ALA 74 CO -0.02 -0.29 -0.01 0.87 0.00 0.00 0.00 179.25 179.80 2ami h LYS 75 N -0.18 0.04 0.00 0.00 1.57 -0.83 -3.51 116.57 113.66 2ami h LYS 75 Ca 0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ami h LYS 75 Cb 0.29 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2ami h LYS 75 CO 0.00 0.44 0.00 -1.33 -0.57 0.00 0.00 179.45 177.99