#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 1.80 0.00 5.15 0.24 -1.26 -4.81 118.33 119.46 2ami n VAL 2 Ca 0.00 -0.75 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 2ami n VAL 2 Cb 0.00 -1.64 0.00 0.00 -1.47 0.00 0.00 33.84 30.73 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 2.22 0.52 3.77 7.63 0.00 -1.26 -4.87 105.19 113.19 2ami n GLY 3 Ca 0.17 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 4.42 0.85 0.99 1.43 -1.26 -5.05 118.68 120.06 2ami s LEU 4 Ca 0.00 2.22 -0.11 0.00 -1.03 0.00 0.00 54.13 55.21 2ami s LEU 4 Cb 0.00 -3.80 0.10 0.00 0.03 0.00 0.00 46.19 42.52 2ami s LEU 4 CO 0.00 -0.27 1.09 0.42 0.23 0.00 0.00 176.35 177.82 2ami s THR 5 N -1.31 2.90 0.24 5.49 -4.23 -1.26 -4.85 115.64 112.63 2ami s THR 5 Ca 0.49 0.29 -0.05 0.00 -1.18 0.00 0.00 61.69 61.24 2ami s THR 5 Cb -0.29 -2.75 0.22 0.00 1.34 0.00 0.00 72.50 71.02 2ami s THR 5 CO 0.37 -0.38 1.86 -0.33 -0.54 0.00 0.00 174.62 175.60 2ami h GLU 6 N -1.41 0.99 -0.02 3.99 3.07 -1.99 -0.63 114.58 118.59 2ami h GLU 6 Ca -0.47 -0.06 0.03 0.00 -0.50 0.00 0.00 59.36 58.36 2ami h GLU 6 Cb 1.26 -0.22 -0.04 0.00 -0.84 0.00 0.00 28.75 28.91 2ami h GLU 6 CO 0.52 0.66 -0.19 0.93 -1.40 0.00 0.00 179.01 179.53 2ami h GLU 7 N 1.02 -0.29 -0.14 2.33 3.07 -1.98 0.21 114.58 118.80 2ami h GLU 7 Ca 0.37 0.02 0.04 0.00 -0.50 0.00 0.00 59.36 59.29 2ami h GLU 7 Cb 0.13 0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.06 2ami h GLU 7 CO -0.16 -0.19 -0.11 1.96 -1.40 0.00 0.00 179.01 179.11 2ami h GLN 8 N -0.30 -0.11 -0.82 2.33 4.20 -1.82 0.61 115.11 119.20 2ami h GLN 8 Ca 0.06 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.80 2ami h GLN 8 Cb 0.38 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.14 2ami h GLN 8 CO -0.19 -0.07 0.54 0.87 -0.67 0.00 0.00 178.83 179.30 2ami h LYS 9 N -0.12 1.04 0.23 1.46 1.57 -0.68 0.49 116.57 120.56 2ami h LYS 9 Ca 0.09 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2ami h LYS 9 Cb 0.25 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2ami h LYS 9 CO -0.21 0.69 -0.20 0.37 -0.57 0.00 0.00 179.45 179.52 2ami h GLN 10 N 1.07 -0.43 -0.40 3.15 5.75 -0.22 0.14 115.11 124.16 2ami h GLN 10 Ca 0.31 0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.92 2ami h GLN 10 Cb -0.06 0.10 -0.06 0.00 1.07 0.00 0.00 27.48 28.53 2ami h GLN 10 CO -0.09 -0.29 0.01 0.93 -2.65 0.00 0.00 178.83 176.75 2ami h GLU 11 N -0.45 0.12 -0.78 1.69 5.08 -0.43 0.55 114.58 120.36 2ami h GLU 11 Ca -0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2ami h GLU 11 Cb 0.41 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 2ami h GLU 11 CO -0.03 0.08 0.50 0.82 -1.00 0.00 0.00 179.01 179.38 2ami h ILE 12 N 0.12 1.21 -0.40 3.13 2.04 -0.62 0.64 117.51 123.63 2ami h ILE 12 Ca 0.20 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 2ami h ILE 12 Cb 0.28 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 2ami h ILE 12 CO -0.32 0.21 0.23 -0.09 0.00 0.00 0.00 178.15 178.18 2ami h ARG 13 N 1.07 0.56 -0.03 2.37 9.65 0.05 0.12 114.38 128.16 2ami h ARG 13 Ca 0.28 -0.06 0.02 0.00 -1.10 0.00 0.00 59.98 59.12 2ami h ARG 13 Cb -0.09 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.36 2ami h ARG 13 CO -0.06 0.44 -0.06 0.93 2.80 0.00 0.00 179.97 184.02 2ami h GLU 14 N 0.52 -0.09 -0.08 0.20 5.08 -0.31 0.11 114.58 120.01 2ami h GLU 14 Ca 0.14 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.55 2ami h GLU 14 Cb 0.04 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 2ami h GLU 14 CO -0.02 -0.06 -0.18 0.00 -1.00 0.00 0.00 179.01 177.75 2ami h ALA 15 N 0.93 -0.16 -0.18 3.43 0.00 -0.72 0.15 119.26 122.71 2ami h ALA 15 Ca 0.04 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2ami h ALA 15 Cb 0.14 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 2ami h ALA 15 CO -0.09 -0.65 -0.54 0.35 0.00 0.00 0.00 179.25 178.32 2ami h PHE 16 N -0.25 -1.62 -0.48 0.00 3.57 -0.52 -0.05 116.94 117.59 2ami h PHE 16 Ca 0.08 0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.74 2ami h PHE 16 Cb 0.37 0.73 -0.08 0.00 2.79 0.00 0.00 35.95 39.76 2ami h PHE 16 CO -0.27 -0.53 -0.05 0.22 -2.23 0.00 0.00 178.31 175.45 2ami h ASP 17 N -0.55 -0.31 0.07 0.41 3.58 -0.37 0.19 116.42 119.45 2ami h ASP 17 Ca 0.04 0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.63 2ami h ASP 17 Cb 0.66 0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.93 2ami h ASP 17 CO -0.46 -0.11 -0.16 0.25 -2.88 0.00 0.00 179.24 175.88 2ami h LEU 18 N 0.06 -0.46 -1.25 2.28 6.46 -0.52 -2.71 115.31 119.18 2ami h LEU 18 Ca 0.24 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 58.04 2ami h LEU 18 Cb 0.36 0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 2ami h LEU 18 CO -0.44 -0.23 0.30 -0.26 -0.62 0.00 0.00 178.44 177.18 2ami h PHE 19 N -0.30 0.80 0.00 1.25 0.04 0.10 -3.20 116.94 115.63 2ami h PHE 19 Ca 0.03 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.78 2ami h PHE 19 Cb 0.33 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.23 2ami h PHE 19 CO -0.18 0.57 0.00 -3.47 -0.60 0.00 0.00 178.31 174.63 2ami n ASP 20 N -4.37 2.16 -0.29 2.17 2.03 0.57 -4.60 116.55 114.21 2ami n ASP 20 Ca 0.05 -1.38 -0.11 0.00 0.52 0.00 0.00 54.79 53.87 2ami n ASP 20 Cb 0.12 -0.39 -0.09 0.00 -0.72 0.00 0.00 41.12 40.04 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 0.53 0.01 0.00 5.18 1.35 -1.68 -1.75 112.91 116.54 2ami h THR 21 Ca 0.00 0.00 -0.20 0.00 -0.55 0.00 0.00 66.41 65.66 2ami h THR 21 Cb 0.64 0.01 -0.04 0.00 -1.73 0.00 0.00 68.15 67.03 2ami h THR 21 CO 0.00 0.00 -2.06 -0.67 -0.25 0.00 0.00 175.52 172.54 2ami n ASP 22 N -5.32 0.16 -0.05 5.36 2.03 -1.26 -4.55 116.55 112.92 2ami n ASP 22 Ca 0.00 0.07 0.18 0.00 0.52 0.00 0.00 54.79 55.56 2ami n ASP 22 Cb 0.31 1.20 0.62 0.00 -0.72 0.00 0.00 41.12 42.53 2ami n ASP 22 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2ami h GLY 23 N 3.95 0.23 -6.97 0.27 0.00 -1.56 -3.46 103.07 95.53 2ami h GLY 23 Ca -0.28 -0.06 -0.56 0.00 0.00 0.00 0.00 47.33 46.43 2ami h GLY 23 CO 0.02 0.02 -0.91 1.44 0.00 0.00 0.00 176.54 177.12 2ami n SER 24 N -4.41 -1.81 0.00 0.19 7.64 -0.72 -0.95 113.62 113.55 2ami n SER 24 Ca 0.11 -1.18 0.00 0.00 1.01 0.00 0.00 58.87 58.80 2ami n SER 24 Cb 0.56 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 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 -2.19 3.49 2.78 0.23 0.00 -1.26 -5.07 105.19 103.17 2ami n GLY 25 Ca -0.18 -1.03 -0.22 0.00 0.00 0.00 0.00 46.02 44.58 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 0.36 -0.28 2.61 -4.23 -0.12 -3.64 115.64 110.33 2ami s THR 26 Ca 0.00 0.12 -0.29 0.00 -1.18 0.00 0.00 61.69 60.34 2ami s THR 26 Cb 0.00 -0.51 -0.01 0.00 1.34 0.00 0.00 72.50 73.32 2ami s THR 26 CO 0.00 0.25 1.46 -0.63 -0.54 0.00 0.00 174.62 175.17 2ami s ILE 27 N 1.88 3.90 0.55 2.99 1.01 0.39 -4.23 121.20 127.69 2ami s ILE 27 Ca 0.03 1.00 -0.21 0.00 0.00 0.00 0.00 60.65 61.48 2ami s ILE 27 Cb -0.12 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 2ami s ILE 27 CO -0.05 -0.43 1.29 -0.62 0.00 0.00 0.00 174.94 175.13 2ami s ASP 28 N 3.67 5.36 0.26 3.58 2.15 -1.26 -0.29 116.67 130.14 2ami s ASP 28 Ca 0.64 2.60 -0.02 0.00 0.43 0.00 0.00 52.55 56.20 2ami s ASP 28 Cb -0.20 -2.62 0.57 0.00 -0.30 0.00 0.00 42.92 40.37 2ami s ASP 28 CO 0.27 -1.49 1.37 0.00 -0.17 0.00 0.00 175.17 175.14 2ami n ALA 29 N -1.11 0.36 -0.02 3.66 0.00 -0.36 -0.35 120.51 122.70 2ami n ALA 29 Ca 0.11 0.95 -0.10 0.00 0.00 0.00 0.00 53.44 54.40 2ami n ALA 29 Cb 0.47 -0.64 -0.04 0.00 0.00 0.00 0.00 19.45 19.23 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 0.09 -0.74 0.00 3.64 -1.91 0.13 116.57 117.78 2ami h LYS 30 Ca 0.49 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.89 2ami h LYS 30 Cb 0.92 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.68 2ami h LYS 30 CO -0.85 0.06 0.48 0.93 -2.27 0.00 0.00 179.45 177.80 2ami h GLU 31 N 0.09 0.92 -0.66 1.90 5.08 -1.03 0.14 114.58 121.02 2ami h GLU 31 Ca 0.07 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2ami h GLU 31 Cb 0.06 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 2ami h GLU 31 CO -0.09 0.61 0.32 1.25 -1.00 0.00 0.00 179.01 180.10 2ami h LEU 32 N 0.95 0.86 -0.21 1.33 5.85 -0.46 0.12 115.31 123.75 2ami h LEU 32 Ca 0.29 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2ami h LEU 32 Cb -0.03 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 2ami h LEU 32 CO -0.09 0.75 0.14 0.50 -0.34 0.00 0.00 178.44 179.39 2ami h LYS 33 N 0.92 0.28 -0.37 1.25 3.64 -0.14 0.14 116.57 122.28 2ami h LYS 33 Ca 0.23 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.65 2ami h LYS 33 Cb 0.11 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.81 2ami h LYS 33 CO -0.03 0.18 0.03 0.28 -2.27 0.00 0.00 179.45 177.64 2ami h VAL 34 N 0.29 0.76 -0.07 2.00 2.07 -0.70 0.49 116.25 121.09 2ami h VAL 34 Ca 0.08 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.59 2ami h VAL 34 Cb -0.03 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 2ami h VAL 34 CO -0.02 0.03 -0.22 0.00 0.02 0.00 0.00 177.57 177.38 2ami h ALA 35 N 1.31 -0.23 -0.77 1.67 0.00 -0.28 0.09 119.26 121.05 2ami h ALA 35 Ca 0.18 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.16 2ami h ALA 35 Cb 0.24 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 2ami h ALA 35 CO -0.28 -0.70 0.48 0.52 0.00 0.00 0.00 179.25 179.27 2ami h MET 36 N -0.31 0.88 0.00 0.00 2.07 -0.30 0.23 114.93 117.49 2ami h MET 36 Ca 0.08 -0.05 0.02 0.00 -2.07 0.00 0.00 59.70 57.68 2ami h MET 36 Cb 0.43 -0.20 -0.03 0.00 -1.87 0.00 0.00 31.60 29.93 2ami h MET 36 CO -0.25 0.58 -0.14 0.00 1.07 0.00 0.00 176.91 178.17 2ami h ARG 37 N 0.90 -0.23 -0.97 1.72 2.47 -0.43 0.87 114.38 118.72 2ami h ARG 37 Ca 0.32 0.02 0.08 0.00 -1.26 0.00 0.00 59.98 59.13 2ami h ARG 37 Cb 0.08 0.05 -0.07 0.00 -1.65 0.00 0.00 29.97 28.39 2ami h ARG 37 CO -0.14 -0.15 0.61 0.00 0.56 0.00 0.00 179.97 180.85 2ami h ALA 38 N 0.71 1.36 0.00 0.04 0.00 -0.12 0.69 119.26 121.95 2ami h ALA 38 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2ami h ALA 38 Cb 0.29 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2ami h ALA 38 CO -0.13 0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.75 2ami n LEU 39 N -4.56 0.00 0.00 0.00 4.77 0.72 -4.88 117.00 113.05 2ami n LEU 39 Ca 0.15 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2ami n LEU 39 Cb 0.22 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2ami n LEU 39 CO 0.31 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2ami n GLY 40 N 0.26 0.47 3.89 -0.72 0.00 0.24 -5.03 105.19 104.28 2ami n GLY 40 Ca 0.12 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 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 3.59 -0.53 1.61 0.40 0.19 -5.00 117.98 116.24 2ami s PHE 41 Ca 0.00 1.08 -0.11 0.00 -0.60 0.00 0.00 56.93 57.30 2ami s PHE 41 Cb 0.00 -2.53 0.13 0.00 0.51 0.00 0.00 43.02 41.13 2ami s PHE 41 CO 0.00 -0.48 0.43 -1.21 0.70 0.00 0.00 175.22 174.66 2ami s GLU 42 N -4.92 2.73 -1.20 0.44 2.02 -1.26 -4.31 118.70 112.21 2ami s GLU 42 Ca 0.52 -1.84 -0.22 0.00 0.02 0.00 0.00 54.97 53.44 2ami s GLU 42 Cb -0.11 -4.07 -0.06 0.00 0.10 0.00 0.00 34.13 29.99 2ami s GLU 42 CO 0.49 -1.24 1.90 -1.25 0.02 0.00 0.00 175.26 175.18 2ami s PRO 43 N 1.27 2.72 -0.78 0.39 0.04 -1.26 -4.88 135.00 132.51 2ami s PRO 43 Ca 0.06 -1.27 -0.26 0.00 0.04 0.00 0.00 61.00 59.57 2ami s PRO 43 Cb -0.26 -5.28 -0.14 0.00 0.04 0.00 0.00 34.50 28.86 2ami s PRO 43 CO -0.00 -3.71 2.42 1.63 0.04 0.00 0.00 177.00 177.38 2ami n LYS 44 N 8.31 0.58 -0.23 4.56 5.02 -1.26 -4.84 118.16 130.30 2ami n LYS 44 Ca 0.45 -0.81 0.02 0.00 -2.02 0.00 0.00 58.31 55.96 2ami n LYS 44 Cb 0.46 -3.67 0.06 0.00 -0.02 0.00 0.00 35.03 31.87 2ami n LYS 44 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2ami n LYS 45 N 8.80 -0.09 0.10 1.97 2.85 -1.26 -0.11 118.16 130.41 2ami n LYS 45 Ca 0.47 0.96 -0.13 0.00 -1.05 0.00 0.00 58.31 58.56 2ami n LYS 45 Cb 0.43 -1.43 -0.07 0.00 -0.65 0.00 0.00 35.03 33.31 2ami n LYS 45 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2ami h GLU 46 N 0.00 -0.17 -0.74 -1.58 4.81 -1.99 0.15 114.58 115.06 2ami h GLU 46 Ca 0.26 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 2ami h GLU 46 Cb 0.42 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 2ami h GLU 46 CO -0.63 -0.11 0.33 0.93 -0.73 0.00 0.00 179.01 178.80 2ami h GLU 47 N -0.19 1.09 -0.25 1.92 4.39 -0.91 -0.53 114.58 120.09 2ami h GLU 47 Ca -0.02 -0.18 0.01 0.00 0.34 0.00 0.00 59.36 59.52 2ami h GLU 47 Cb 0.14 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 2ami h GLU 47 CO 0.03 0.87 0.13 0.82 -1.16 0.00 0.00 179.01 179.70 2ami h ILE 48 N 1.05 1.01 -0.24 3.13 1.08 -0.81 0.69 117.51 123.42 2ami h ILE 48 Ca 0.25 -0.10 0.02 0.00 -0.39 0.00 0.00 64.86 64.64 2ami h ILE 48 Cb 0.16 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 34.60 2ami h ILE 48 CO -0.03 0.05 0.11 0.11 -0.69 0.00 0.00 178.15 177.70 2ami h LYS 49 N 0.28 0.23 0.34 2.37 1.79 -0.11 0.13 116.57 121.60 2ami h LYS 49 Ca 0.10 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2ami h LYS 49 Cb 0.01 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.58 2ami h LYS 49 CO -0.06 0.15 -0.43 0.87 -1.08 0.00 0.00 179.45 178.90 2ami h LYS 50 N 0.23 -0.78 -0.17 3.15 1.79 -0.85 0.37 116.57 120.32 2ami h LYS 50 Ca 0.10 0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.66 2ami h LYS 50 Cb 0.04 0.18 -0.07 0.00 -1.58 0.00 0.00 32.23 30.80 2ami h LYS 50 CO -0.08 -0.52 -0.53 1.98 -1.08 0.00 0.00 179.45 179.22 2ami h MET 51 N -0.81 -0.53 -0.47 3.15 4.05 -0.68 0.73 114.93 120.36 2ami h MET 51 Ca -0.02 0.04 0.09 0.00 -0.28 0.00 0.00 59.70 59.53 2ami h MET 51 Cb 0.75 0.12 -0.08 0.00 -0.80 0.00 0.00 31.60 31.58 2ami h MET 51 CO -0.12 -0.35 -0.06 0.82 0.23 0.00 0.00 176.91 177.43 2ami h ILE 52 N -0.55 0.58 -0.29 1.77 2.04 -0.65 -0.14 117.51 120.27 2ami h ILE 52 Ca 0.04 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2ami h ILE 52 Cb 0.67 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2ami h ILE 52 CO -0.46 0.01 0.19 0.28 0.00 0.00 0.00 178.15 178.18 2ami h SER 53 N 0.06 0.34 -0.52 1.72 0.02 -0.08 0.34 113.55 115.43 2ami h SER 53 Ca 0.23 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.21 2ami h SER 53 Cb 0.36 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 2ami h SER 53 CO -0.44 0.25 0.28 -0.33 -1.14 0.00 0.00 176.83 175.45 2ami h GLU 54 N 0.39 0.53 -0.15 3.45 5.08 -0.11 -2.61 114.58 121.16 2ami h GLU 54 Ca 0.11 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.27 2ami h GLU 54 Cb -0.04 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2ami h GLU 54 CO -0.02 0.35 -0.59 0.82 -1.00 0.00 0.00 179.01 178.57 2ami h ILE 55 N 0.55 1.34 -0.76 3.13 1.08 -0.72 -3.39 117.51 118.74 2ami h ILE 55 Ca 0.22 -1.87 -0.71 0.00 -0.39 0.00 0.00 64.86 62.11 2ami h ILE 55 Cb 0.09 1.86 -0.09 0.00 -3.07 0.00 0.00 36.82 35.61 2ami h ILE 55 CO -0.13 0.57 2.43 -0.67 -0.69 0.00 0.00 178.15 179.66 2ami n ASP 56 N -3.93 4.60 0.18 1.72 2.03 0.12 -4.74 116.55 116.53 2ami n ASP 56 Ca -0.03 -2.92 0.11 0.00 0.52 0.00 0.00 54.79 52.47 2ami n ASP 56 Cb 0.62 -1.67 0.60 0.00 -0.72 0.00 0.00 41.12 39.95 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 6.74 0.00 0.00 -0.67 1.79 -1.77 0.82 116.57 123.48 2ami h LYS 57 Ca 0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.94 2ami h LYS 57 Cb 0.76 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 2ami h LYS 57 CO 1.61 0.00 -0.77 -3.47 -1.08 0.00 0.00 179.45 175.74 2ami n ASP 58 N -2.29 0.64 -3.35 0.86 2.03 -1.26 -4.98 116.55 108.19 2ami n ASP 58 Ca -0.01 -0.09 -0.24 0.00 0.52 0.00 0.00 54.79 54.97 2ami n ASP 58 Cb 0.10 0.44 0.01 0.00 -0.72 0.00 0.00 41.12 40.95 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 -0.50 0.20 0.27 0.00 0.28 -4.87 105.19 101.96 2ami n GLY 59 Ca 0.03 0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.27 2ami n GLY 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ami n SER 60 N -2.41 1.40 -0.07 1.61 3.41 -1.26 -4.95 113.62 111.35 2ami n SER 60 Ca -0.03 -1.20 -0.01 0.00 -0.26 0.00 0.00 58.87 57.37 2ami n SER 60 Cb 0.56 0.78 -0.00 0.00 -0.26 0.00 0.00 64.21 65.29 2ami n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ami n GLY 61 N 1.45 0.43 3.06 5.00 0.00 -1.26 -5.03 105.19 108.84 2ami n GLY 61 Ca 0.06 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.03 0.53 -0.34 2.61 -4.23 -1.26 -1.22 115.64 109.70 2ami s THR 62 Ca 0.00 -1.08 -0.07 0.00 -1.18 0.00 0.00 61.69 59.37 2ami s THR 62 Cb 0.00 -0.60 0.04 0.00 1.34 0.00 0.00 72.50 73.28 2ami s THR 62 CO 0.00 -0.39 0.11 -0.63 -0.54 0.00 0.00 174.62 173.18 2ami s ILE 63 N -1.38 3.85 0.63 2.99 -1.09 0.61 -4.79 121.20 122.01 2ami s ILE 63 Ca -0.10 -1.09 -0.17 0.00 -2.23 0.00 0.00 60.65 57.06 2ami s ILE 63 Cb -0.10 -3.17 -0.01 0.00 -1.58 0.00 0.00 42.46 37.60 2ami s ILE 63 CO 0.00 -0.17 1.17 -0.62 -1.23 0.00 0.00 174.94 174.10 2ami s ASP 64 N 1.42 5.01 0.28 3.58 -1.08 -1.26 -0.46 116.67 124.16 2ami s ASP 64 Ca -0.01 2.27 0.01 0.00 -0.52 0.00 0.00 52.55 54.29 2ami s ASP 64 Cb -0.19 -2.58 0.68 0.00 -1.46 0.00 0.00 42.92 39.36 2ami s ASP 64 CO 0.03 -1.71 1.65 0.15 0.52 0.00 0.00 175.17 175.81 2ami h PHE 65 N 0.46 0.32 -0.34 -5.34 3.57 -1.98 0.11 116.94 113.74 2ami h PHE 65 Ca -0.49 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.07 2ami h PHE 65 Cb 1.28 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 2ami h PHE 65 CO 0.49 -0.21 0.21 0.93 -2.23 0.00 0.00 178.31 177.50 2ami h GLU 66 N 0.20 0.42 -0.34 1.11 5.08 -1.93 0.16 114.58 119.29 2ami h GLU 66 Ca 0.54 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.86 2ami h GLU 66 Cb 1.07 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 2ami h GLU 66 CO -0.65 0.28 0.15 0.93 -1.00 0.00 0.00 179.01 178.71 2ami h GLU 67 N 0.43 0.49 -0.11 2.33 5.08 -1.35 -0.03 114.58 121.42 2ami h GLU 67 Ca 0.13 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2ami h GLU 67 Cb -0.02 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 2ami h GLU 67 CO -0.05 0.47 -0.08 0.35 -1.00 0.00 0.00 179.01 178.70 2ami h PHE 68 N 0.40 -0.20 -0.38 4.33 3.57 -0.57 0.42 116.94 124.51 2ami h PHE 68 Ca 0.11 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.66 2ami h PHE 68 Cb 0.15 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 2ami h PHE 68 CO -0.01 -0.13 0.19 1.25 -2.23 0.00 0.00 178.31 177.38 2ami h LEU 69 N -0.09 0.27 0.14 0.59 5.85 -0.49 0.13 115.31 121.70 2ami h LEU 69 Ca 0.07 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.82 2ami h LEU 69 Cb 0.19 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 2ami h LEU 69 CO -0.16 0.20 -0.21 0.74 -0.34 0.00 0.00 178.44 178.66 2ami h THR 70 N 0.38 0.52 -0.20 1.05 2.02 -0.60 0.14 112.91 116.21 2ami h THR 70 Ca 0.16 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.40 2ami h THR 70 Cb 0.08 0.52 -0.07 0.00 -1.74 0.00 0.00 68.15 66.94 2ami h THR 70 CO -0.12 0.00 -0.28 -0.03 0.37 0.00 0.00 175.52 175.47 2ami h MET 71 N -0.42 -0.30 -0.55 6.66 1.85 -0.56 0.23 114.93 121.85 2ami h MET 71 Ca 0.02 0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.12 2ami h MET 71 Cb 0.43 0.07 -0.03 0.00 0.43 0.00 0.00 31.60 32.50 2ami h MET 71 CO -0.10 -0.20 0.31 1.98 -0.40 0.00 0.00 176.91 178.50 2ami h MET 72 N -0.31 0.75 -0.11 0.39 -1.53 -0.50 0.12 114.93 113.75 2ami h MET 72 Ca 0.12 -0.08 0.03 0.00 -3.44 0.00 0.00 59.70 56.33 2ami h MET 72 Cb 0.50 -0.15 -0.03 0.00 -0.55 0.00 0.00 31.60 31.36 2ami h MET 72 CO -0.38 0.57 -0.08 1.15 0.14 0.00 0.00 176.91 178.31 2ami h THR 73 N 0.73 0.77 -0.77 -0.77 2.02 -0.29 0.15 112.91 114.75 2ami h THR 73 Ca 0.19 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.39 2ami h THR 73 Cb 0.02 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 2ami h THR 73 CO -0.03 0.00 0.50 0.00 0.37 0.00 0.00 175.52 176.36 2ami h ALA 74 N 1.01 1.00 -0.42 6.16 0.00 -0.35 -2.29 119.26 124.36 2ami h ALA 74 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2ami h ALA 74 Cb 0.18 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2ami h ALA 74 CO -0.16 0.34 0.23 -0.22 0.00 0.00 0.00 179.25 179.44 2ami h LYS 75 N 1.00 0.59 -0.02 0.00 3.64 -0.43 -3.51 116.57 117.84 2ami h LYS 75 Ca 0.30 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2ami h LYS 75 Cb -0.05 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 2ami h LYS 75 CO -0.09 0.48 0.00 -1.33 -2.27 0.00 0.00 179.45 176.24