#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1npq n SER 2 N 0.00 -8.65 0.00 0.00 2.88 -1.26 -5.02 113.62 101.57 1npq n SER 2 Ca 0.00 0.77 0.00 0.00 -1.33 0.00 0.00 58.87 58.31 1npq n SER 2 Cb 0.00 -4.51 0.00 0.00 -0.75 0.00 0.00 64.21 58.95 1npq n SER 2 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1npq n MET 3 N -4.28 0.00 -4.01 -1.46 2.00 -1.26 -5.11 117.12 103.01 1npq n MET 3 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.38 1npq n MET 3 Cb 0.67 0.00 -0.16 0.00 0.00 0.00 0.00 33.22 33.73 1npq n MET 3 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1npq s THR 4 N -1.00 1.71 -1.80 2.03 -4.23 -1.26 -4.98 115.64 106.12 1npq s THR 4 Ca 0.00 -1.09 0.31 0.00 -1.18 0.00 0.00 61.69 59.73 1npq s THR 4 Cb 0.00 -1.79 0.76 0.00 1.34 0.00 0.00 72.50 72.81 1npq s THR 4 CO 0.00 0.14 2.14 -0.90 -0.54 0.00 0.00 174.62 175.47 1npq n ASP 5 N 4.65 0.00 0.15 3.99 5.75 -1.26 -3.75 116.55 126.09 1npq n ASP 5 Ca -0.15 -0.68 0.19 0.00 -0.01 0.00 0.00 54.79 54.14 1npq n ASP 5 Cb 0.46 -0.10 0.77 0.00 -1.03 0.00 0.00 41.12 41.22 1npq n ASP 5 CO 0.00 0.00 0.00 0.06 -0.11 0.00 0.00 177.20 177.15 1npq h GLN 6 N 0.00 0.00 0.00 0.11 3.07 -2.01 0.61 115.11 116.90 1npq h GLN 6 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.71 1npq h GLN 6 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.66 1npq h GLN 6 CO 0.00 0.00 -0.13 1.96 0.09 0.00 0.00 178.83 180.75 1npq h GLN 7 N 0.00 0.00 0.00 0.06 4.20 -1.88 -2.90 115.11 114.59 1npq h GLN 7 Ca 0.14 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 1npq h GLN 7 Cb 0.91 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.69 1npq h GLN 7 CO -0.00 0.13 -0.12 0.00 -0.67 0.00 0.00 178.83 178.17 1npq h ALA 8 N 1.87 0.02 -0.83 3.87 0.00 -0.04 -3.33 119.26 120.82 1npq h ALA 8 Ca -0.00 -0.54 0.08 0.00 0.00 0.00 0.00 54.91 54.45 1npq h ALA 8 Cb 0.93 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 1npq h ALA 8 CO 0.02 0.07 0.54 0.93 0.00 0.00 0.00 179.25 180.81 1npq h GLU 9 N -1.00 0.84 -0.55 0.00 4.39 -1.56 -2.59 114.58 114.11 1npq h GLU 9 Ca -0.03 -0.05 0.08 0.00 0.34 0.00 0.00 59.36 59.70 1npq h GLU 9 Cb 0.97 -0.19 -0.10 0.00 -0.10 0.00 0.00 28.75 29.33 1npq h GLU 9 CO -0.02 0.55 -0.44 0.00 -1.16 0.00 0.00 179.01 177.94 1npq h ALA 10 N 1.56 -0.36 -0.42 3.43 0.00 -1.61 1.24 119.26 123.10 1npq h ALA 10 Ca 0.37 0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.50 1npq h ALA 10 Cb 0.32 0.96 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1npq h ALA 10 CO -0.14 -0.84 0.44 0.00 0.00 0.00 0.00 179.25 178.71 1npq h ARG 11 N -0.25 0.00 0.00 0.00 3.08 -1.58 0.34 114.38 115.97 1npq h ARG 11 Ca 0.17 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1npq h ARG 11 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 1npq h ARG 11 CO -0.67 0.00 -1.63 0.00 -1.07 0.00 0.00 179.97 176.60 1npq n ALA 12 N -2.36 2.64 0.19 0.04 0.00 0.22 -4.14 120.51 117.11 1npq n ALA 12 Ca 0.08 -0.44 0.06 0.00 0.00 0.00 0.00 53.44 53.14 1npq n ALA 12 Cb 0.62 -0.87 0.29 0.00 0.00 0.00 0.00 19.45 19.49 1npq n ALA 12 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1npq h PHE 13 N 0.00 0.00 -1.44 0.00 0.04 0.52 -3.45 116.94 112.61 1npq h PHE 13 Ca -0.02 0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.20 1npq h PHE 13 Cb 1.05 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.13 1npq h PHE 13 CO 0.00 0.35 -0.45 -0.51 -0.60 0.00 0.00 178.31 177.10 1npq s LEU 14 N -6.79 3.11 0.48 1.54 1.02 -0.80 -5.06 118.68 112.18 1npq s LEU 14 Ca 0.01 -1.05 -0.04 0.00 0.02 0.00 0.00 54.13 53.08 1npq s LEU 14 Cb 0.10 -1.52 -0.03 0.00 0.02 0.00 0.00 46.19 44.76 1npq s LEU 14 CO 0.68 -0.63 0.76 -0.55 0.02 0.00 0.00 176.35 176.64 1npq s SER 15 N -3.99 6.18 0.57 2.29 0.15 -1.26 -4.92 113.70 112.72 1npq s SER 15 Ca 0.41 0.82 0.30 0.00 0.70 0.00 0.00 55.95 58.18 1npq s SER 15 Cb 0.02 -2.13 1.45 0.00 -1.71 0.00 0.00 66.02 63.64 1npq s SER 15 CO 0.23 -0.60 1.84 -0.33 1.20 0.00 0.00 173.24 175.58 1npq h GLU 16 N 0.25 0.00 0.40 5.44 3.07 -1.99 0.08 114.58 121.82 1npq h GLU 16 Ca -0.47 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.37 1npq h GLU 16 Cb 1.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1npq h GLU 16 CO 0.61 0.00 -0.19 0.93 -1.40 0.00 0.00 179.01 178.96 1npq h GLU 17 N 0.00 -0.52 -0.07 2.33 3.07 -1.99 0.12 114.58 117.53 1npq h GLU 17 Ca 0.33 0.04 0.02 0.00 -0.50 0.00 0.00 59.36 59.25 1npq h GLU 17 Cb 1.58 0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 29.60 1npq h GLU 17 CO -0.00 -0.33 0.06 1.98 -1.40 0.00 0.00 179.01 179.32 1npq h MET 18 N -0.56 0.00 0.19 2.33 4.05 -1.35 -2.03 114.93 117.55 1npq h MET 18 Ca -0.05 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 1npq h MET 18 Cb 0.43 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 1npq h MET 18 CO 0.09 0.00 -0.09 0.82 0.23 0.00 0.00 176.91 177.96 1npq h ILE 19 N 0.00 0.00 -0.67 1.77 2.04 -1.15 0.13 117.51 119.63 1npq h ILE 19 Ca 0.03 -0.50 0.19 0.00 1.00 0.00 0.00 64.86 65.59 1npq h ILE 19 Cb 0.16 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.21 1npq h ILE 19 CO -0.00 0.00 0.68 0.00 0.00 0.00 0.00 178.15 178.83 1npq h ALA 20 N -1.38 2.47 0.01 1.87 0.00 -0.86 0.84 119.26 122.20 1npq h ALA 20 Ca -0.03 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.56 1npq h ALA 20 Cb 0.19 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1npq h ALA 20 CO 0.04 -1.03 -1.74 0.39 0.00 0.00 0.00 179.25 176.91 1npq n GLU 21 N -3.68 0.64 0.04 0.00 1.02 -0.77 -3.88 120.64 114.01 1npq n GLU 21 Ca 0.14 0.29 0.04 0.00 -0.02 0.00 0.00 57.16 57.61 1npq n GLU 21 Cb 0.92 -1.78 0.45 0.00 -0.02 0.00 0.00 31.44 31.00 1npq n GLU 21 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1npq h PHE 22 N 0.01 0.44 0.00 -0.32 0.04 0.35 0.16 116.94 117.61 1npq h PHE 22 Ca -0.30 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.48 1npq h PHE 22 Cb 2.02 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 40.02 1npq h PHE 22 CO 0.01 0.29 0.00 1.17 -0.60 0.00 0.00 178.31 179.18 1npq n LYS 23 N -4.47 0.17 0.00 1.51 3.00 -0.59 -4.06 118.16 113.72 1npq n LYS 23 Ca 0.02 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 1npq n LYS 23 Cb 0.07 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.60 1npq n LYS 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1npq n ALA 24 N -1.41 -0.11 1.42 3.14 0.00 0.55 -2.09 120.51 122.01 1npq n ALA 24 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.66 1npq n ALA 24 Cb 0.29 0.25 0.71 0.00 0.00 0.00 0.00 19.45 20.69 1npq n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1npq n ALA 25 N -1.85 2.38 -0.32 0.00 0.00 -1.26 -3.88 120.51 115.57 1npq n ALA 25 Ca 0.00 -0.14 0.36 0.00 0.00 0.00 0.00 53.44 53.65 1npq n ALA 25 Cb 0.00 -1.42 0.73 0.00 0.00 0.00 0.00 19.45 18.76 1npq n ALA 25 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1npq h PHE 26 N 0.00 0.00 0.00 0.00 3.04 -1.56 0.85 116.94 119.27 1npq h PHE 26 Ca 0.00 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 1npq h PHE 26 Cb 0.11 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.62 1npq h PHE 26 CO 0.00 0.00 -0.41 -0.44 -2.02 0.00 0.00 178.31 175.44 1npq h ASP 27 N 0.00 0.00 -0.05 0.41 5.19 -1.73 -3.34 116.42 116.91 1npq h ASP 27 Ca 0.57 -0.20 0.01 0.00 -0.62 0.00 0.00 57.03 56.79 1npq h ASP 27 Cb 2.45 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.96 1npq h ASP 27 CO -0.01 0.82 0.04 -0.03 -3.12 0.00 0.00 179.24 176.95 1npq h MET 28 N -1.00 0.00 0.00 3.56 4.05 -1.56 -3.21 114.93 116.77 1npq h MET 28 Ca -0.06 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1npq h MET 28 Cb 0.54 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.34 1npq h MET 28 CO -0.03 0.00 0.00 1.19 0.23 0.00 0.00 176.91 178.30 1npq n PHE 29 N -4.27 0.00 -1.66 1.39 3.72 0.29 -4.59 117.46 112.33 1npq n PHE 29 Ca -0.02 0.00 -0.52 0.00 -0.05 0.00 0.00 57.45 56.87 1npq n PHE 29 Cb 0.14 -0.25 -0.06 0.00 -0.94 0.00 0.00 39.48 38.37 1npq n PHE 29 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1npq n ASP 30 N -1.29 2.94 -0.10 4.37 8.00 -1.21 -4.83 116.55 124.43 1npq n ASP 30 Ca 0.00 0.92 -0.24 0.00 0.71 0.00 0.00 54.79 56.18 1npq n ASP 30 Cb 0.00 -1.29 -0.11 0.00 -0.02 0.00 0.00 41.12 39.70 1npq n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1npq n ALA 31 N 6.77 0.92 0.15 2.24 0.00 -1.26 -4.37 120.51 124.96 1npq n ALA 31 Ca 0.26 -0.67 0.07 0.00 0.00 0.00 0.00 53.44 53.10 1npq n ALA 31 Cb 0.23 -0.39 0.06 0.00 0.00 0.00 0.00 19.45 19.36 1npq n ALA 31 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1npq h ASP 32 N -0.83 0.00 -0.69 0.00 3.04 -1.95 -3.48 116.42 112.50 1npq h ASP 32 Ca -0.45 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.34 1npq h ASP 32 Cb 1.49 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.78 1npq h ASP 32 CO -0.22 0.26 0.00 0.61 -2.04 0.00 0.00 179.24 177.84 1npq n GLY 33 N 1.19 0.82 0.00 7.15 0.00 -1.26 -4.90 105.19 108.18 1npq n GLY 33 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1npq n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1npq n GLY 34 N -0.62 0.00 0.57 -0.02 0.00 -1.26 -5.04 105.19 98.82 1npq n GLY 34 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1npq n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1npq n GLY 35 N 0.00 0.73 3.96 -0.02 0.00 -1.26 -5.15 105.19 103.44 1npq n GLY 35 Ca 0.00 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.06 1npq n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1npq n ASP 36 N 0.02 -5.87 -4.59 1.61 8.00 -1.26 -4.65 116.55 109.81 1npq n ASP 36 Ca -0.01 0.65 -0.38 0.00 0.71 0.00 0.00 54.79 55.77 1npq n ASP 36 Cb 0.64 -1.89 -0.11 0.00 -0.02 0.00 0.00 41.12 39.74 1npq n ASP 36 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1npq s ILE 37 N -1.03 5.26 0.00 0.53 1.01 -0.98 -4.79 121.20 121.19 1npq s ILE 37 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.80 1npq s ILE 37 Cb 0.00 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.97 1npq s ILE 37 CO 0.00 0.26 0.00 -1.54 0.00 0.00 0.00 174.94 173.66 1npq n SER 38 N 5.01 0.68 0.20 3.58 3.41 -1.26 -1.14 113.62 124.10 1npq n SER 38 Ca -0.14 -0.41 0.05 0.00 -0.26 0.00 0.00 58.87 58.11 1npq n SER 38 Cb 0.52 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.91 1npq n SER 38 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1npq h THR 39 N 0.14 1.08 0.20 6.66 1.35 -1.93 -2.92 112.91 117.49 1npq h THR 39 Ca 0.00 -1.10 -0.32 0.00 -0.55 0.00 0.00 66.41 64.44 1npq h THR 39 Cb 0.00 1.62 0.02 0.00 -1.73 0.00 0.00 68.15 68.06 1npq h THR 39 CO 0.00 0.30 -1.47 0.11 -0.25 0.00 0.00 175.52 174.21 1npq h LYS 40 N 0.00 0.42 0.00 4.72 1.57 -1.97 -3.24 116.57 118.07 1npq h LYS 40 Ca -0.00 -0.72 0.00 0.00 -1.87 0.00 0.00 60.65 58.06 1npq h LYS 40 Cb 0.59 0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1npq h LYS 40 CO 0.04 1.33 0.00 0.93 -0.57 0.00 0.00 179.45 181.18 1npq h GLU 41 N 0.11 0.00 0.00 3.15 5.08 -1.85 -3.01 114.58 118.07 1npq h GLU 41 Ca -0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1npq h GLU 41 Cb 2.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.35 1npq h GLU 41 CO 0.23 0.00 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.02 1npq h LEU 42 N 0.00 0.00 -1.87 1.33 -0.00 -1.56 -3.35 115.31 109.86 1npq h LEU 42 Ca 0.00 0.00 0.32 0.00 -0.00 0.00 0.00 57.88 58.20 1npq h LEU 42 Cb 0.24 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.85 1npq h LEU 42 CO 0.00 0.46 0.87 1.23 -0.00 0.00 0.00 178.44 181.01 1npq h GLY 43 N -0.78 0.00 0.00 0.83 0.00 -1.58 0.76 103.07 102.30 1npq h GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1npq h GLY 43 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 176.54 178.95 1npq n THR 44 N -3.95 0.00 0.27 4.70 -1.04 -1.14 -0.02 114.28 113.10 1npq n THR 44 Ca 0.23 1.20 0.13 0.00 -2.04 0.00 0.00 64.05 63.57 1npq n THR 44 Cb 1.23 -2.18 0.75 0.00 -1.82 0.00 0.00 70.33 68.31 1npq n THR 44 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 1npq h VAL 45 N 0.00 0.59 0.03 12.58 3.04 -1.61 -1.44 116.25 129.43 1npq h VAL 45 Ca 0.00 -0.44 -0.21 0.00 -1.01 0.00 0.00 66.70 65.04 1npq h VAL 45 Cb 0.00 1.28 -0.01 0.00 -2.01 0.00 0.00 31.29 30.55 1npq h VAL 45 CO 0.00 0.10 -0.96 0.24 -1.01 0.00 0.00 177.57 175.94 1npq h MET 46 N 0.00 0.16 0.02 4.17 2.86 -0.87 -2.90 114.93 118.37 1npq h MET 46 Ca -0.00 -0.21 -0.25 0.00 -2.06 0.00 0.00 59.70 57.18 1npq h MET 46 Cb 0.27 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 1npq h MET 46 CO 0.01 1.00 -1.31 0.00 1.06 0.00 0.00 176.91 177.68 1npq h ARG 47 N 0.07 0.05 -0.38 1.72 3.08 0.04 0.27 114.38 119.23 1npq h ARG 47 Ca -0.05 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1npq h ARG 47 Cb 1.63 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.72 1npq h ARG 47 CO 0.14 0.88 0.00 0.00 -1.07 0.00 0.00 179.97 179.92 1npq n MET 48 N -3.28 1.89 -0.00 0.04 0.00 -0.58 -4.05 117.12 111.12 1npq n MET 48 Ca -0.08 -1.37 -0.01 0.00 0.00 0.00 0.00 57.70 56.25 1npq n MET 48 Cb 0.99 -1.30 -0.00 0.00 0.00 0.00 0.00 33.22 32.91 1npq n MET 48 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1npq n LEU 49 N 0.61 2.56 0.00 3.17 4.77 -1.10 -5.03 117.00 121.99 1npq n LEU 49 Ca 0.13 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1npq n LEU 49 Cb 0.32 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1npq n LEU 49 CO 0.09 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1npq n GLY 50 N 3.38 1.20 3.75 -0.72 0.00 -1.09 -5.10 105.19 106.61 1npq n GLY 50 Ca -0.02 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1npq n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1npq s GLN 51 N 0.00 2.08 -0.34 1.61 -1.52 0.93 -4.94 119.66 117.47 1npq s GLN 51 Ca 0.00 1.26 0.16 0.00 -1.95 0.00 0.00 55.36 54.83 1npq s GLN 51 Cb 0.00 -1.87 0.43 0.00 -0.22 0.00 0.00 33.01 31.35 1npq s GLN 51 CO 0.00 -1.79 1.01 -1.71 -0.25 0.00 0.00 175.29 172.55 1npq n ASN 52 N -3.55 0.67 -4.59 5.90 2.85 -1.26 -3.46 115.26 111.82 1npq n ASN 52 Ca 0.10 -2.71 -0.42 0.00 -0.11 0.00 0.00 54.58 51.43 1npq n ASN 52 Cb 0.53 -0.19 -0.03 0.00 1.24 0.00 0.00 39.78 41.33 1npq n ASN 52 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1npq s PRO 53 N -2.36 3.32 1.10 1.20 0.04 -1.26 -4.99 135.00 132.04 1npq s PRO 53 Ca 0.27 1.02 -0.17 0.00 0.04 0.00 0.00 61.00 62.16 1npq s PRO 53 Cb 0.44 -4.15 0.27 0.00 0.04 0.00 0.00 34.50 31.09 1npq s PRO 53 CO 0.00 -1.88 0.60 0.25 0.04 0.00 0.00 177.00 176.01 1npq n THR 54 N 7.20 0.00 0.05 1.26 -2.24 -1.26 -4.43 114.28 114.86 1npq n THR 54 Ca 0.19 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.86 1npq n THR 54 Cb 0.48 -0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 67.98 1npq n THR 54 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1npq h LYS 55 N 0.00 -0.17 -0.06 -0.78 3.64 -1.97 -1.77 116.57 115.46 1npq h LYS 55 Ca -0.27 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.08 1npq h LYS 55 Cb 0.92 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1npq h LYS 55 CO 0.16 -0.11 -0.17 0.00 -2.27 0.00 0.00 179.45 177.06 1npq h GLU 57 N 0.09 -1.15 -0.22 0.00 4.22 -1.63 0.19 114.58 116.08 1npq h GLU 57 Ca 0.02 0.08 -0.15 0.00 0.08 0.00 0.00 59.36 59.39 1npq h GLU 57 Cb 0.36 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1npq h GLU 57 CO 0.02 -0.77 -0.47 -0.07 -2.18 0.00 0.00 179.01 175.55 1npq h LEU 58 N -1.20 0.61 -1.88 1.64 3.38 -1.33 -2.80 115.31 113.74 1npq h LEU 58 Ca -0.11 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 1npq h LEU 58 Cb 0.94 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1npq h LEU 58 CO 0.16 0.99 -0.13 -0.78 0.09 0.00 0.00 178.44 178.77 1npq h ASP 59 N 0.45 0.00 0.64 -0.43 1.82 -0.75 -0.04 116.42 118.10 1npq h ASP 59 Ca 0.03 0.00 -0.19 0.00 -0.39 0.00 0.00 57.03 56.48 1npq h ASP 59 Cb 0.99 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.98 1npq h ASP 59 CO 0.09 0.13 -0.86 0.00 -1.61 0.00 0.00 179.24 176.99 1npq h ALA 60 N 1.87 0.56 0.00 -0.78 0.00 -0.34 -2.94 119.26 117.63 1npq h ALA 60 Ca -0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1npq h ALA 60 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1npq h ALA 60 CO 0.02 0.94 -0.01 0.82 0.00 0.00 0.00 179.25 181.01 1npq h ILE 61 N 0.08 0.00 -0.94 0.00 5.03 -1.28 -3.21 117.51 117.19 1npq h ILE 61 Ca -0.03 -0.94 0.29 0.00 -0.12 0.00 0.00 64.86 64.05 1npq h ILE 61 Cb 1.48 0.00 -0.16 0.00 -3.03 0.00 0.00 36.82 35.11 1npq h ILE 61 CO 0.13 0.00 0.27 0.40 -0.68 0.00 0.00 178.15 178.27 1npq h ILE 62 N -0.94 0.18 -0.86 -0.67 2.04 -1.18 1.09 117.51 117.18 1npq h ILE 62 Ca 0.00 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.83 1npq h ILE 62 Cb 0.01 0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.08 1npq h ILE 62 CO 0.00 0.02 0.56 0.00 0.00 0.00 0.00 178.15 178.74 1npq h GLU 64 N 1.12 0.46 0.48 0.00 5.08 0.80 -3.32 114.58 119.20 1npq h GLU 64 Ca 0.33 -0.46 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1npq h GLU 64 Cb -0.08 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1npq h GLU 64 CO -0.09 1.11 -0.23 0.28 -1.00 0.00 0.00 179.01 179.08 1npq h VAL 65 N 0.27 0.45 -1.63 3.13 2.07 0.12 -3.39 116.25 117.27 1npq h VAL 65 Ca -0.07 -0.38 -0.44 0.00 0.82 0.00 0.00 66.70 66.63 1npq h VAL 65 Cb 1.53 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1npq h VAL 65 CO 0.16 0.06 1.20 -1.81 0.02 0.00 0.00 177.57 177.20 1npq s ASP 66 N -4.79 5.15 0.26 0.57 1.11 0.19 -4.80 116.67 114.37 1npq s ASP 66 Ca -0.15 0.15 0.12 0.00 0.18 0.00 0.00 52.55 52.85 1npq s ASP 66 Cb 0.02 -2.53 0.27 0.00 1.07 0.00 0.00 42.92 41.75 1npq s ASP 66 CO 0.53 -2.53 1.55 -0.33 1.18 0.00 0.00 175.17 175.56 1npq h GLU 67 N 14.40 0.00 0.00 8.23 5.08 -1.82 -3.16 114.58 137.32 1npq h GLU 67 Ca -0.17 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.97 1npq h GLU 67 Cb 1.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 1npq h GLU 67 CO 1.21 0.64 -1.11 0.38 -1.00 0.00 0.00 179.01 179.13 1npq h ASP 68 N 0.00 0.01 -0.34 1.42 2.03 -1.95 -3.48 116.42 114.11 1npq h ASP 68 Ca -0.01 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 1npq h ASP 68 Cb 1.24 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 1npq h ASP 68 CO 0.08 1.01 0.00 0.61 -1.03 0.00 0.00 179.24 179.92 1npq n GLY 69 N 1.39 0.53 0.03 7.15 0.00 -1.20 -5.04 105.19 108.05 1npq n GLY 69 Ca -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1npq n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1npq n SER 70 N -0.17 2.68 0.00 1.61 3.41 -1.26 -5.00 113.62 114.88 1npq n SER 70 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1npq n SER 70 Cb 0.08 1.09 0.00 0.00 -0.26 0.00 0.00 64.21 65.13 1npq n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1npq n GLY 71 N 2.18 0.98 3.57 5.00 0.00 -1.26 -5.01 105.19 110.65 1npq n GLY 71 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1npq n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1npq s THR 72 N -3.92 3.53 -0.28 2.61 -4.23 -1.26 -4.46 115.64 107.63 1npq s THR 72 Ca 0.00 -0.82 -0.10 0.00 -1.18 0.00 0.00 61.69 59.59 1npq s THR 72 Cb 0.00 -2.52 -0.03 0.00 1.34 0.00 0.00 72.50 71.28 1npq s THR 72 CO 0.00 0.39 0.15 -0.63 -0.54 0.00 0.00 174.62 173.99 1npq s ILE 73 N -0.98 4.84 0.00 2.99 1.01 -0.29 -4.81 121.20 123.96 1npq s ILE 73 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.73 1npq s ILE 73 Cb -0.11 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 39.02 1npq s ILE 73 CO 0.07 0.23 0.00 0.47 0.00 0.00 0.00 174.94 175.71 1npq n ASP 74 N 5.00 -0.76 0.00 3.58 8.00 -1.26 -2.32 116.55 128.79 1npq n ASP 74 Ca -0.15 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 54.85 1npq n ASP 74 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 1npq n ASP 74 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1npq n PHE 75 N -2.20 0.00 0.23 1.24 -0.00 -1.26 -2.96 117.46 112.51 1npq n PHE 75 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.52 1npq n PHE 75 Cb 0.00 -0.32 0.55 0.00 -0.00 0.00 0.00 39.48 39.71 1npq n PHE 75 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1npq h GLU 76 N 0.00 0.00 -0.58 -4.13 4.39 -1.95 -2.46 114.58 109.85 1npq h GLU 76 Ca 0.00 0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.87 1npq h GLU 76 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1npq h GLU 76 CO 0.00 0.21 0.52 0.93 -1.16 0.00 0.00 179.01 179.51 1npq h GLU 77 N 0.00 0.00 0.00 2.33 5.08 -1.83 0.47 114.58 120.63 1npq h GLU 77 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1npq h GLU 77 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1npq h GLU 77 CO 0.03 0.00 0.00 0.35 -1.00 0.00 0.00 179.01 178.39 1npq h PHE 78 N 0.00 0.00 0.00 4.33 3.57 -1.32 -0.16 116.94 123.36 1npq h PHE 78 Ca 0.28 0.00 -0.37 0.00 3.53 0.00 0.00 57.97 61.41 1npq h PHE 78 Cb 1.32 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.00 1npq h PHE 78 CO 0.00 0.00 -2.02 1.28 -2.23 0.00 0.00 178.31 175.34 1npq n LEU 79 N -2.46 1.98 0.22 0.59 4.32 0.16 -4.32 117.00 117.50 1npq n LEU 79 Ca -0.00 0.35 0.07 0.00 -0.02 0.00 0.00 56.01 56.41 1npq n LEU 79 Cb 0.14 -0.89 0.61 0.00 -1.62 0.00 0.00 43.42 41.66 1npq n LEU 79 CO 0.16 0.48 1.08 1.62 -1.22 0.00 0.00 177.39 179.51 1npq h VAL 80 N -0.93 1.02 -0.87 4.08 3.04 -1.37 -1.45 116.25 119.77 1npq h VAL 80 Ca -0.55 -0.03 0.14 0.00 -1.01 0.00 0.00 66.70 65.25 1npq h VAL 80 Cb 1.51 0.93 -0.09 0.00 -2.01 0.00 0.00 31.29 31.64 1npq h VAL 80 CO -0.31 0.02 0.47 0.00 -1.01 0.00 0.00 177.57 176.73 1npq h MET 81 N 0.08 0.66 0.00 4.17 -0.00 -1.21 -0.39 114.93 118.24 1npq h MET 81 Ca 0.02 -0.04 -0.15 0.00 -0.00 0.00 0.00 59.70 59.53 1npq h MET 81 Cb -0.01 -0.15 -0.02 0.00 -0.00 0.00 0.00 31.60 31.42 1npq h MET 81 CO -0.00 0.44 -1.12 0.52 -0.00 0.00 0.00 176.91 176.75 1npq h MET 82 N 0.68 0.00 -0.42 -0.10 2.07 -1.56 -3.32 114.93 112.30 1npq h MET 82 Ca 0.46 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 58.08 1npq h MET 82 Cb 0.61 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.32 1npq h MET 82 CO -0.34 0.37 0.19 0.28 1.07 0.00 0.00 176.91 178.49 1npq h VAL 83 N 0.00 1.15 0.00 -2.22 2.07 -0.11 0.47 116.25 117.61 1npq h VAL 83 Ca -0.11 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1npq h VAL 83 Cb 1.52 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1npq h VAL 83 CO 0.05 0.17 0.00 0.54 0.02 0.00 0.00 177.57 178.36 1npq n ARG 84 N -4.40 0.21 -0.02 1.57 1.74 -0.46 -2.07 116.66 113.23 1npq n ARG 84 Ca 0.03 0.35 0.04 0.00 -0.77 0.00 0.00 57.85 57.50 1npq n ARG 84 Cb 0.12 -1.84 -0.12 0.00 -1.02 0.00 0.00 32.46 29.60 1npq n ARG 84 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1npq n GLN 85 N -2.22 0.75 -0.01 5.56 6.02 -0.09 -3.95 117.38 123.44 1npq n GLN 85 Ca 0.03 -0.11 -0.17 0.00 -0.01 0.00 0.00 57.00 56.75 1npq n GLN 85 Cb 0.29 -1.38 -0.13 0.00 1.02 0.00 0.00 30.24 30.05 1npq n GLN 85 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1npq h MET 86 N 0.00 0.18 0.21 -1.09 2.86 -0.01 -3.39 114.93 113.69 1npq h MET 86 Ca -0.10 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.28 1npq h MET 86 Cb 1.01 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1npq h MET 86 CO 0.01 1.06 -0.10 0.87 1.06 0.00 0.00 176.91 179.80 1npq h LYS 87 N -0.57 -0.27 -6.13 1.72 1.57 -1.66 -3.40 116.57 107.83 1npq h LYS 87 Ca -0.06 0.02 -0.55 0.00 -1.87 0.00 0.00 60.65 58.19 1npq h LYS 87 Cb 1.23 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 33.52 1npq h LYS 87 CO 0.07 -0.18 1.29 -2.00 -0.57 0.00 0.00 179.45 178.06 1npq s GLU 88 N -2.57 3.32 0.13 3.15 2.12 -1.25 -4.98 118.70 118.62 1npq s GLU 88 Ca -0.04 -0.70 0.03 0.00 0.36 0.00 0.00 54.97 54.62 1npq s GLU 88 Cb 0.00 -4.96 -0.04 0.00 0.26 0.00 0.00 34.13 29.40 1npq s GLU 88 CO 0.12 -2.35 0.18 -0.51 -0.54 0.00 0.00 175.26 172.16 1npq s ASP 89 N 5.14 5.86 0.00 -1.70 1.01 -1.26 -4.59 116.67 121.13 1npq s ASP 89 Ca 0.47 0.03 0.00 0.00 0.71 0.00 0.00 52.55 53.75 1npq s ASP 89 Cb -0.04 -1.65 0.00 0.00 1.01 0.00 0.00 42.92 42.25 1npq s ASP 89 CO -0.01 0.09 0.00 0.00 0.21 0.00 0.00 175.17 175.46