#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 2.92 0.00 5.15 0.31 -1.26 -4.60 118.33 120.85 2ami n VAL 2 Ca 0.00 -2.60 0.00 0.00 -0.01 0.00 0.00 64.34 61.73 2ami n VAL 2 Cb 0.00 -2.49 0.00 0.00 -0.91 0.00 0.00 33.84 30.44 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 4.37 1.12 3.74 2.92 0.00 -1.26 -4.81 105.19 111.26 2ami n GLY 3 Ca 0.51 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 46.11 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 4.47 0.50 0.99 1.43 -1.26 -5.03 118.68 119.78 2ami s LEU 4 Ca 0.00 2.14 -0.21 0.00 -1.03 0.00 0.00 54.13 55.03 2ami s LEU 4 Cb 0.00 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.55 2ami s LEU 4 CO 0.00 -0.28 1.13 -0.89 0.23 0.00 0.00 176.35 176.54 2ami s THR 5 N -0.16 3.24 0.28 5.49 2.01 -1.26 -0.43 115.64 124.81 2ami s THR 5 Ca 0.51 0.83 0.01 0.00 0.31 0.00 0.00 61.69 63.35 2ami s THR 5 Cb -0.30 -3.37 0.28 0.00 0.01 0.00 0.00 72.50 69.12 2ami s THR 5 CO 0.35 -0.11 1.68 -0.33 -0.69 0.00 0.00 174.62 175.52 2ami h GLU 6 N 1.59 0.30 -0.77 4.92 3.07 -1.97 0.26 114.58 121.98 2ami h GLU 6 Ca -0.50 -0.02 0.07 0.00 -0.50 0.00 0.00 59.36 58.42 2ami h GLU 6 Cb 1.25 -0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 29.03 2ami h GLU 6 CO 0.58 0.20 0.44 0.93 -1.40 0.00 0.00 179.01 179.76 2ami h GLU 7 N 0.31 0.77 -0.36 2.33 4.39 -1.99 0.15 114.58 120.18 2ami h GLU 7 Ca 0.52 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 60.15 2ami h GLU 7 Cb 1.00 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 2ami h GLU 7 CO -0.57 0.51 0.12 1.96 -1.16 0.00 0.00 179.01 179.87 2ami h GLN 8 N 0.79 0.55 -0.37 2.33 4.20 -0.91 -0.04 115.11 121.66 2ami h GLN 8 Ca 0.35 -0.11 0.06 0.00 0.06 0.00 0.00 58.65 59.00 2ami h GLN 8 Cb 0.24 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.88 2ami h GLN 8 CO -0.20 0.56 0.05 0.87 -0.67 0.00 0.00 178.83 179.44 2ami h LYS 9 N 0.43 0.16 0.02 1.46 1.57 -0.14 0.10 116.57 120.18 2ami h LYS 9 Ca 0.12 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 2ami h LYS 9 Cb 0.23 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 2ami h LYS 9 CO -0.01 0.11 -0.19 1.96 -0.57 0.00 0.00 179.45 180.75 2ami h GLN 10 N 0.17 -0.31 -0.50 3.15 4.20 -0.47 0.13 115.11 121.48 2ami h GLN 10 Ca 0.18 0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.00 2ami h GLN 10 Cb 0.22 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.00 2ami h GLN 10 CO -0.25 -0.21 0.09 0.93 -0.67 0.00 0.00 178.83 178.72 2ami h GLU 11 N -0.32 0.21 -0.76 1.46 5.08 -0.56 0.12 114.58 119.81 2ami h GLU 11 Ca 0.05 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2ami h GLU 11 Cb 0.39 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 2ami h GLU 11 CO -0.16 0.14 0.45 0.82 -1.00 0.00 0.00 179.01 179.25 2ami h ILE 12 N 0.22 1.22 -0.37 3.13 2.04 -0.28 0.63 117.51 124.10 2ami h ILE 12 Ca 0.25 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 2ami h ILE 12 Cb 0.34 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 2ami h ILE 12 CO -0.34 0.24 0.17 -0.09 0.00 0.00 0.00 178.15 178.13 2ami h ARG 13 N 1.05 0.54 0.02 2.37 1.12 0.08 0.13 114.38 119.69 2ami h ARG 13 Ca 0.27 -0.09 0.02 0.00 -1.11 0.00 0.00 59.98 59.08 2ami h ARG 13 Cb -0.01 -0.09 -0.03 0.00 -0.01 0.00 0.00 29.97 29.82 2ami h ARG 13 CO -0.05 0.50 -0.18 1.49 -3.11 0.00 0.00 179.97 178.62 2ami h GLU 14 N 0.46 -0.29 -0.23 0.20 4.81 -0.30 0.10 114.58 119.34 2ami h GLU 14 Ca 0.13 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.43 2ami h GLU 14 Cb 0.14 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 2ami h GLU 14 CO -0.01 -0.19 -0.09 0.00 -0.73 0.00 0.00 179.01 177.99 2ami h ALA 15 N 0.60 0.11 -0.21 2.92 0.00 -0.75 -0.38 119.26 121.56 2ami h ALA 15 Ca 0.05 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.11 2ami h ALA 15 Cb 0.36 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 2ami h ALA 15 CO -0.16 -0.50 -0.36 0.35 0.00 0.00 0.00 179.25 178.58 2ami h PHE 16 N -0.05 -1.02 -0.16 0.00 3.57 -0.30 0.64 116.94 119.62 2ami h PHE 16 Ca 0.12 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.71 2ami h PHE 16 Cb 0.23 0.48 -0.05 0.00 2.79 0.00 0.00 35.95 39.40 2ami h PHE 16 CO -0.27 -0.42 -0.14 0.22 -2.23 0.00 0.00 178.31 175.47 2ami h ASP 17 N -0.39 -0.44 0.04 0.41 3.58 -0.30 0.23 116.42 119.56 2ami h ASP 17 Ca 0.11 0.09 0.02 0.00 0.42 0.00 0.00 57.03 57.66 2ami h ASP 17 Cb 0.57 0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.82 2ami h ASP 17 CO -0.42 -0.18 -0.13 0.25 -2.88 0.00 0.00 179.24 175.88 2ami h LEU 18 N -0.15 -0.37 -1.53 2.28 6.46 -0.65 -2.53 115.31 118.82 2ami h LEU 18 Ca 0.10 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.87 2ami h LEU 18 Cb 0.30 0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.38 2ami h LEU 18 CO -0.25 -0.19 -0.16 -0.26 -0.62 0.00 0.00 178.44 176.95 2ami h PHE 19 N -0.25 0.11 0.00 1.25 0.04 -0.49 -2.71 116.94 114.89 2ami h PHE 19 Ca 0.03 -0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.68 2ami h PHE 19 Cb 0.28 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.36 2ami h PHE 19 CO -0.17 0.27 -0.16 -3.47 -0.60 0.00 0.00 178.31 174.17 2ami n ASP 20 N -4.30 4.30 -0.24 2.17 2.03 0.79 -4.64 116.55 116.66 2ami n ASP 20 Ca -0.02 -2.26 -0.03 0.00 0.52 0.00 0.00 54.79 53.00 2ami n ASP 20 Cb 0.26 -1.09 0.08 0.00 -0.72 0.00 0.00 41.12 39.64 2ami n ASP 20 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2ami h THR 21 N 1.90 1.09 0.00 5.18 2.02 -1.59 -3.27 112.91 118.24 2ami h THR 21 Ca 0.11 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 2ami h THR 21 Cb 1.12 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2ami h THR 21 CO 0.20 0.15 -1.02 0.47 0.37 0.00 0.00 175.52 175.69 2ami n ASP 22 N -4.68 4.91 0.15 4.18 9.92 -1.26 -4.76 116.55 125.00 2ami n ASP 22 Ca 0.07 0.00 0.15 0.00 -0.53 0.00 0.00 54.79 54.48 2ami n ASP 22 Cb 0.09 0.79 0.70 0.00 -0.64 0.00 0.00 41.12 42.06 2ami n ASP 22 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 2ami h GLY 23 N 0.07 0.00 -6.30 0.44 0.00 -1.77 -3.46 103.07 92.04 2ami h GLY 23 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.87 2ami h GLY 23 CO 0.00 0.00 -0.91 1.44 0.00 0.00 0.00 176.54 177.07 2ami n SER 24 N -4.33 -3.29 0.00 0.19 7.64 -1.23 -3.74 113.62 108.86 2ami n SER 24 Ca 0.03 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.91 2ami n SER 24 Cb 0.33 -3.32 0.00 0.00 -1.01 0.00 0.00 64.21 60.21 2ami n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ami n GLY 25 N -1.77 3.05 2.90 0.23 0.00 -1.26 -5.11 105.19 103.23 2ami n GLY 25 Ca -0.18 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 -0.02 -0.34 2.61 -4.23 -1.25 -4.54 115.64 107.87 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 -0.14 0.00 0.00 1.34 0.00 0.00 72.50 73.70 2ami s THR 26 CO 0.00 0.04 1.41 -0.63 -0.54 0.00 0.00 174.62 174.90 2ami s ILE 27 N 0.54 3.95 0.53 2.99 1.01 0.29 -4.43 121.20 126.08 2ami s ILE 27 Ca -0.04 1.02 -0.22 0.00 0.00 0.00 0.00 60.65 61.41 2ami s ILE 27 Cb -0.06 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 2ami s ILE 27 CO -0.02 -0.58 1.35 -0.62 0.00 0.00 0.00 174.94 175.07 2ami s ASP 28 N 3.64 5.37 0.27 3.58 -1.08 -1.26 0.07 116.67 127.26 2ami s ASP 28 Ca 0.61 2.75 -0.01 0.00 -0.52 0.00 0.00 52.55 55.38 2ami s ASP 28 Cb -0.16 -2.63 0.60 0.00 -1.46 0.00 0.00 42.92 39.26 2ami s ASP 28 CO 0.29 -1.50 1.42 0.00 0.52 0.00 0.00 175.17 175.90 2ami n ALA 29 N -0.93 0.38 -0.17 3.66 0.00 -0.30 0.07 120.51 123.21 2ami n ALA 29 Ca 0.10 0.98 -0.06 0.00 0.00 0.00 0.00 53.44 54.46 2ami n ALA 29 Cb 0.45 -0.67 0.04 0.00 0.00 0.00 0.00 19.45 19.26 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 0.57 -0.73 0.00 1.57 -1.90 0.68 116.57 116.76 2ami h LYS 30 Ca 0.51 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 59.21 2ami h LYS 30 Cb 0.97 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.12 2ami h LYS 30 CO -0.88 0.38 0.28 0.93 -0.57 0.00 0.00 179.45 179.59 2ami h GLU 31 N 0.59 1.08 -0.65 3.15 5.08 -0.70 0.65 114.58 123.79 2ami h GLU 31 Ca 0.21 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 2ami h GLU 31 Cb 0.03 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2ami h GLU 31 CO -0.10 0.88 0.07 1.25 -1.00 0.00 0.00 179.01 180.12 2ami h LEU 32 N 1.05 1.05 -0.22 1.33 5.85 -0.38 0.13 115.31 124.13 2ami h LEU 32 Ca 0.24 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.72 2ami h LEU 32 Cb 0.21 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2ami h LEU 32 CO -0.02 1.06 0.03 0.50 -0.34 0.00 0.00 178.44 179.67 2ami h LYS 33 N 1.00 0.11 -0.34 1.25 3.11 -0.39 0.86 116.57 122.17 2ami h LYS 33 Ca 0.19 -0.01 0.07 0.00 -2.81 0.00 0.00 60.65 58.09 2ami h LYS 33 Cb 0.48 -0.02 -0.07 0.00 -1.00 0.00 0.00 32.23 31.62 2ami h LYS 33 CO 0.02 0.07 -0.09 0.28 -2.81 0.00 0.00 179.45 176.92 2ami h VAL 34 N 0.11 0.65 0.01 2.00 2.07 -0.54 0.13 116.25 120.69 2ami h VAL 34 Ca 0.10 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.65 2ami h VAL 34 Cb 0.11 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 2ami h VAL 34 CO -0.14 0.00 -0.31 0.00 0.02 0.00 0.00 177.57 177.14 2ami h ALA 35 N 1.34 -0.45 -0.89 1.67 0.00 -0.26 0.62 119.26 121.29 2ami h ALA 35 Ca 0.16 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.13 2ami h ALA 35 Cb 0.25 0.54 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 2ami h ALA 35 CO -0.35 -0.82 0.55 0.52 0.00 0.00 0.00 179.25 179.14 2ami h MET 36 N -0.47 0.95 0.08 0.00 2.07 -0.51 0.18 114.93 117.24 2ami h MET 36 Ca 0.06 -0.06 0.02 0.00 -2.07 0.00 0.00 59.70 57.65 2ami h MET 36 Cb 0.55 -0.21 -0.03 0.00 -1.87 0.00 0.00 31.60 30.03 2ami h MET 36 CO -0.25 0.63 -0.24 -0.09 1.07 0.00 0.00 176.91 178.03 2ami h ARG 37 N 0.98 -0.40 -0.99 1.72 1.12 0.11 0.46 114.38 117.38 2ami h ARG 37 Ca 0.40 0.03 0.05 0.00 -1.11 0.00 0.00 59.98 59.34 2ami h ARG 37 Cb 0.23 0.09 -0.06 0.00 -0.01 0.00 0.00 29.97 30.22 2ami h ARG 37 CO -0.19 -0.27 0.65 0.00 -3.11 0.00 0.00 179.97 177.05 2ami h ALA 38 N 0.37 1.33 0.00 2.80 0.00 -0.01 0.49 119.26 124.24 2ami h ALA 38 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ami h ALA 38 Cb 0.46 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2ami h ALA 38 CO -0.16 0.51 0.00 1.28 0.00 0.00 0.00 179.25 180.88 2ami n LEU 39 N -4.47 0.00 0.00 0.00 4.77 0.56 -4.86 117.00 113.00 2ami n LEU 39 Ca 0.14 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2ami n LEU 39 Cb 0.12 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2ami n LEU 39 CO 0.34 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 2ami n GLY 40 N -0.22 0.46 3.76 -0.72 0.00 0.16 -5.04 105.19 103.59 2ami n GLY 40 Ca 0.07 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 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 1.91 -0.34 1.61 0.40 0.08 -5.01 117.98 114.62 2ami s PHE 41 Ca 0.00 0.70 0.02 0.00 -0.60 0.00 0.00 56.93 57.06 2ami s PHE 41 Cb 0.00 -3.51 0.10 0.00 0.51 0.00 0.00 43.02 40.12 2ami s PHE 41 CO 0.00 -2.78 0.07 -1.21 0.70 0.00 0.00 175.22 172.00 2ami s GLU 42 N -5.37 1.72 -0.28 0.44 0.41 -1.26 -4.64 118.70 109.72 2ami s GLU 42 Ca 0.67 -1.78 -0.23 0.00 -0.41 0.00 0.00 54.97 53.22 2ami s GLU 42 Cb -0.12 -3.26 -0.26 0.00 -1.78 0.00 0.00 34.13 28.71 2ami s GLU 42 CO 0.54 -0.92 1.51 -2.30 -0.49 0.00 0.00 175.26 173.61 2ami n PRO 43 N 4.36 0.02 -2.01 0.39 -0.02 -1.26 -4.85 135.00 131.63 2ami n PRO 43 Ca -0.00 -0.95 -0.27 0.00 -2.02 0.00 0.00 63.50 60.27 2ami n PRO 43 Cb 0.42 -2.52 -0.05 0.00 -0.02 0.00 0.00 33.50 31.32 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 6.63 2.49 0.17 -0.52 1.02 -1.26 -4.85 119.74 123.42 2ami s LYS 44 Ca 0.56 -0.16 -0.03 0.00 0.02 0.00 0.00 55.97 56.36 2ami s LYS 44 Cb 0.06 -4.99 0.31 0.00 -0.52 0.00 0.00 37.83 32.69 2ami s LYS 44 CO 0.23 -3.42 0.91 1.63 -0.92 0.00 0.00 175.35 173.78 2ami n LYS 45 N 8.88 -0.05 0.18 1.68 4.76 -1.26 -0.07 118.16 132.28 2ami n LYS 45 Ca 0.39 0.90 -0.16 0.00 -2.87 0.00 0.00 58.31 56.57 2ami n LYS 45 Cb 0.47 -1.36 -0.09 0.00 -1.84 0.00 0.00 35.03 32.21 2ami n LYS 45 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2ami h GLU 46 N 0.00 -0.77 -0.40 1.97 3.07 -1.99 0.12 114.58 116.59 2ami h GLU 46 Ca 0.30 0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 59.13 2ami h GLU 46 Cb 0.50 0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 2ami h GLU 46 CO -0.58 -0.51 -0.07 0.93 -1.40 0.00 0.00 179.01 177.37 2ami h GLU 47 N -0.80 0.75 -0.01 2.33 5.08 -0.88 -0.89 114.58 120.16 2ami h GLU 47 Ca -0.01 -0.28 0.03 0.00 -1.00 0.00 0.00 59.36 58.10 2ami h GLU 47 Cb 0.76 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 2ami h GLU 47 CO -0.18 0.88 -0.36 0.82 -1.00 0.00 0.00 179.01 179.16 2ami h ILE 48 N 0.56 0.24 0.01 3.13 1.08 -0.89 0.56 117.51 122.20 2ami h ILE 48 Ca 0.10 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.59 2ami h ILE 48 Cb 0.59 0.24 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 2ami h ILE 48 CO 0.03 0.00 -0.09 0.50 -0.69 0.00 0.00 178.15 177.90 2ami h LYS 49 N -0.51 -0.16 0.19 2.37 3.64 -0.58 0.52 116.57 122.03 2ami h LYS 49 Ca 0.06 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2ami h LYS 49 Cb 0.60 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 2ami h LYS 49 CO -0.29 -0.11 -0.40 0.87 -2.27 0.00 0.00 179.45 177.25 2ami h LYS 50 N -0.16 -0.65 0.03 1.90 1.57 -0.92 0.94 116.57 119.27 2ami h LYS 50 Ca 0.03 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 2ami h LYS 50 Cb 0.21 0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 2ami h LYS 50 CO -0.09 -0.43 -0.23 1.98 -0.57 0.00 0.00 179.45 180.10 2ami h MET 51 N -0.67 -0.37 -0.50 3.15 4.05 -0.74 0.59 114.93 120.44 2ami h MET 51 Ca 0.01 0.02 0.10 0.00 -0.28 0.00 0.00 59.70 59.56 2ami h MET 51 Cb 0.67 0.08 -0.09 0.00 -0.80 0.00 0.00 31.60 31.46 2ami h MET 51 CO -0.19 -0.24 -0.09 0.82 0.23 0.00 0.00 176.91 177.43 2ami h ILE 52 N -0.38 0.52 -0.29 1.77 2.04 -0.73 0.19 117.51 120.64 2ami h ILE 52 Ca 0.05 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.91 2ami h ILE 52 Cb 0.45 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 2ami h ILE 52 CO -0.19 0.01 0.18 0.28 0.00 0.00 0.00 178.15 178.42 2ami h SER 53 N 0.03 0.30 -0.60 1.72 0.02 0.03 0.28 113.55 115.34 2ami h SER 53 Ca 0.25 -0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.24 2ami h SER 53 Cb 0.38 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.80 2ami h SER 53 CO -0.50 0.22 0.33 -0.33 -1.14 0.00 0.00 176.83 175.41 2ami h GLU 54 N 0.37 0.61 -0.12 3.45 5.08 -0.04 -2.38 114.58 121.55 2ami h GLU 54 Ca 0.11 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.29 2ami h GLU 54 Cb -0.02 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2ami h GLU 54 CO -0.04 0.40 -0.56 0.82 -1.00 0.00 0.00 179.01 178.63 2ami h ILE 55 N 0.63 1.35 -0.15 3.13 1.08 -0.60 -3.37 117.51 119.58 2ami h ILE 55 Ca 0.26 -1.86 -0.62 0.00 -0.39 0.00 0.00 64.86 62.25 2ami h ILE 55 Cb 0.13 1.88 0.00 0.00 -3.07 0.00 0.00 36.82 35.76 2ami h ILE 55 CO -0.16 0.56 2.31 -0.67 -0.69 0.00 0.00 178.15 179.50 2ami n ASP 56 N -3.92 3.16 -0.20 1.72 2.03 0.96 -4.70 116.55 115.61 2ami n ASP 56 Ca -0.03 -2.74 -0.06 0.00 0.52 0.00 0.00 54.79 52.48 2ami n ASP 56 Cb 0.60 -1.40 0.04 0.00 -0.72 0.00 0.00 41.12 39.63 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 7.68 0.76 0.00 -0.67 1.79 -1.76 -3.42 116.57 120.94 2ami h LYS 57 Ca 0.43 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 2ami h LYS 57 Cb 0.72 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2ami h LYS 57 CO 1.78 0.50 0.00 -3.47 -1.08 0.00 0.00 179.45 177.19 2ami n ASP 58 N -4.69 0.00 0.07 0.86 2.03 -1.26 -4.92 116.55 108.65 2ami n ASP 58 Ca 0.04 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.40 2ami n ASP 58 Cb 0.03 0.00 0.24 0.00 -0.72 0.00 0.00 41.12 40.67 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 0.33 -0.60 3.39 0.27 0.00 -1.26 -4.88 105.19 102.44 2ami n GLY 59 Ca 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.78 -6.44 0.00 1.61 7.64 -1.26 -1.93 113.62 111.46 2ami n SER 60 Ca -0.01 -0.46 0.00 0.00 1.01 0.00 0.00 58.87 59.41 2ami n SER 60 Cb 0.09 -3.61 0.00 0.00 -1.01 0.00 0.00 64.21 59.68 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 -1.65 2.91 3.86 0.23 0.00 -1.26 -5.00 105.19 104.28 2ami n GLY 61 Ca -0.14 0.00 -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 -1.70 3.86 -0.22 2.61 -4.23 -0.81 -1.15 115.64 114.00 2ami s THR 62 Ca 0.00 -1.34 0.02 0.00 -1.18 0.00 0.00 61.69 59.19 2ami s THR 62 Cb 0.00 -3.28 0.04 0.00 1.34 0.00 0.00 72.50 70.60 2ami s THR 62 CO 0.00 -0.22 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.07 2ami s ILE 63 N -2.24 2.07 0.74 2.99 -1.09 0.11 -4.06 121.20 119.71 2ami s ILE 63 Ca 0.39 -1.24 -0.11 0.00 -2.23 0.00 0.00 60.65 57.46 2ami s ILE 63 Cb -0.07 -2.03 0.03 0.00 -1.58 0.00 0.00 42.46 38.82 2ami s ILE 63 CO 0.27 0.27 1.07 -0.62 -1.23 0.00 0.00 174.94 174.70 2ami s ASP 64 N 1.22 4.97 0.25 3.58 2.15 -1.26 -0.55 116.67 127.02 2ami s ASP 64 Ca -0.01 1.62 -0.03 0.00 0.43 0.00 0.00 52.55 54.55 2ami s ASP 64 Cb -0.16 -2.43 0.51 0.00 -0.30 0.00 0.00 42.92 40.54 2ami s ASP 64 CO -0.09 -1.71 1.69 0.15 -0.17 0.00 0.00 175.17 175.04 2ami h PHE 65 N -0.90 0.38 -0.29 -5.34 3.57 -1.99 0.11 116.94 112.47 2ami h PHE 65 Ca -0.44 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.09 2ami h PHE 65 Cb 1.23 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 2ami h PHE 65 CO 0.58 -0.06 0.16 0.93 -2.23 0.00 0.00 178.31 177.70 2ami h GLU 66 N 0.32 0.41 -0.29 1.11 5.08 -1.98 0.18 114.58 119.41 2ami h GLU 66 Ca 0.44 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.75 2ami h GLU 66 Cb 0.76 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2ami h GLU 66 CO -0.50 0.35 0.16 0.93 -1.00 0.00 0.00 179.01 178.95 2ami h GLU 67 N 0.36 0.41 -0.14 2.33 5.08 -1.62 0.59 114.58 121.59 2ami h GLU 67 Ca 0.10 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2ami h GLU 67 Cb 0.06 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2ami h GLU 67 CO -0.02 0.35 0.06 0.35 -1.00 0.00 0.00 179.01 178.75 2ami h PHE 68 N 0.35 0.10 -0.61 4.33 3.57 -0.62 -0.18 116.94 123.89 2ami h PHE 68 Ca 0.10 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.68 2ami h PHE 68 Cb 0.07 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.72 2ami h PHE 68 CO -0.03 0.06 0.28 1.25 -2.23 0.00 0.00 178.31 177.63 2ami h LEU 69 N 0.13 0.35 0.01 0.59 5.85 -0.41 0.11 115.31 121.94 2ami h LEU 69 Ca 0.06 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.85 2ami h LEU 69 Cb 0.03 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2ami h LEU 69 CO -0.05 0.22 -0.11 0.74 -0.34 0.00 0.00 178.44 178.89 2ami h THR 70 N 0.50 0.72 -0.18 1.05 2.02 -0.36 0.17 112.91 116.84 2ami h THR 70 Ca 0.29 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.52 2ami h THR 70 Cb 0.28 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 2ami h THR 70 CO -0.24 0.00 -0.17 -0.03 0.37 0.00 0.00 175.52 175.44 2ami h MET 71 N -0.20 -0.19 -0.83 6.66 1.85 -0.27 0.67 114.93 122.62 2ami h MET 71 Ca 0.04 0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.14 2ami h MET 71 Cb 0.24 0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.28 2ami h MET 71 CO -0.11 -0.13 0.52 0.52 -0.40 0.00 0.00 176.91 177.32 2ami h MET 72 N -0.20 1.12 -0.55 0.39 2.07 -0.55 -1.09 114.93 116.12 2ami h MET 72 Ca 0.11 -0.09 0.04 0.00 -2.07 0.00 0.00 59.70 57.69 2ami h MET 72 Cb 0.36 -0.24 -0.04 0.00 -1.87 0.00 0.00 31.60 29.81 2ami h MET 72 CO -0.29 0.77 0.31 1.15 1.07 0.00 0.00 176.91 179.93 2ami h THR 73 N 1.14 1.01 0.00 2.22 2.02 -0.13 -0.61 112.91 118.56 2ami h THR 73 Ca 0.30 -0.21 -0.52 0.00 0.77 0.00 0.00 66.41 66.75 2ami h THR 73 Cb -0.07 0.35 0.02 0.00 -1.74 0.00 0.00 68.15 66.71 2ami h THR 73 CO -0.06 0.11 3.20 0.00 0.37 0.00 0.00 175.52 179.14 2ami n ALA 74 N -2.31 6.14 -1.83 6.16 0.00 0.18 -4.58 120.51 124.27 2ami n ALA 74 Ca 0.05 -2.74 -0.00 0.00 0.00 0.00 0.00 53.44 50.74 2ami n ALA 74 Cb 0.11 -3.18 -0.00 0.00 0.00 0.00 0.00 19.45 16.38 2ami n ALA 74 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2ami n LYS 75 N 3.87 -1.06 0.00 0.00 5.02 -1.13 -4.92 118.16 119.94 2ami n LYS 75 Ca 0.61 1.19 0.00 0.00 -2.02 0.00 0.00 58.31 58.10 2ami n LYS 75 Cb 0.19 -2.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.00 2ami n LYS 75 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55