#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1npq s SER 2 N 0.00 4.78 0.00 0.00 0.01 -1.26 -5.05 113.70 112.18 1npq s SER 2 Ca 0.00 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.39 1npq s SER 2 Cb 0.00 -0.57 0.00 0.00 0.21 0.00 0.00 66.02 65.66 1npq s SER 2 CO 0.00 -0.56 0.00 1.15 0.41 0.00 0.00 173.24 174.24 1npq n MET 3 N -1.38 0.00 -3.16 12.44 -0.00 -1.26 -5.12 117.12 118.64 1npq n MET 3 Ca 0.01 0.00 0.04 0.00 -0.00 0.00 0.00 57.70 57.75 1npq n MET 3 Cb 0.63 -0.06 -0.04 0.00 -0.00 0.00 0.00 33.22 33.75 1npq n MET 3 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 1npq s THR 4 N -1.82 -0.03 -1.09 3.17 -1.32 -1.26 -5.04 115.64 108.26 1npq s THR 4 Ca 0.00 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.57 1npq s THR 4 Cb 0.00 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.11 1npq s THR 4 CO 0.00 0.00 0.89 0.47 -2.21 0.00 0.00 174.62 173.77 1npq n ASP 5 N 4.73 2.01 -0.39 8.08 8.00 -1.26 -4.65 116.55 133.07 1npq n ASP 5 Ca -0.07 -1.53 0.33 0.00 0.71 0.00 0.00 54.79 54.23 1npq n ASP 5 Cb 0.56 -0.05 0.65 0.00 -0.02 0.00 0.00 41.12 42.26 1npq n ASP 5 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 1npq h GLN 6 N 1.82 0.15 -0.52 -1.24 3.07 -1.98 0.89 115.11 117.29 1npq h GLN 6 Ca 0.00 -0.01 0.11 0.00 0.09 0.00 0.00 58.65 58.84 1npq h GLN 6 Cb 0.46 -0.03 -0.03 0.00 0.08 0.00 0.00 27.48 27.96 1npq h GLN 6 CO 0.00 0.10 0.36 -0.56 0.09 0.00 0.00 178.83 178.81 1npq h GLN 7 N 0.15 0.22 0.00 0.06 3.07 -1.87 0.78 115.11 117.51 1npq h GLN 7 Ca 0.67 -0.01 -0.09 0.00 0.09 0.00 0.00 58.65 59.31 1npq h GLN 7 Cb 2.24 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 29.73 1npq h GLN 7 CO -0.20 0.14 -0.53 0.00 0.09 0.00 0.00 178.83 178.33 1npq h ALA 8 N 1.74 0.11 -0.96 0.06 0.00 0.44 -3.35 119.26 117.30 1npq h ALA 8 Ca 0.24 -0.76 0.02 0.00 0.00 0.00 0.00 54.91 54.42 1npq h ALA 8 Cb 0.66 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1npq h ALA 8 CO -0.04 0.31 0.63 0.93 0.00 0.00 0.00 179.25 181.07 1npq h GLU 9 N -1.00 1.21 -0.64 0.00 4.39 -1.05 -2.88 114.58 114.62 1npq h GLU 9 Ca -0.14 -0.07 0.09 0.00 0.34 0.00 0.00 59.36 59.58 1npq h GLU 9 Cb 1.04 -0.27 -0.11 0.00 -0.10 0.00 0.00 28.75 29.31 1npq h GLU 9 CO -0.09 0.80 -0.45 0.00 -1.16 0.00 0.00 179.01 178.12 1npq h ALA 10 N 1.37 -0.31 -0.38 3.43 0.00 0.42 1.32 119.26 125.11 1npq h ALA 10 Ca 0.37 0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.51 1npq h ALA 10 Cb -0.06 1.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1npq h ALA 10 CO -0.10 -0.83 0.40 0.00 0.00 0.00 0.00 179.25 178.72 1npq h ARG 11 N -0.19 0.00 0.00 0.00 3.08 -1.63 0.31 114.38 115.94 1npq h ARG 11 Ca 0.19 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 1npq h ARG 11 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1npq h ARG 11 CO -0.73 0.00 -1.55 0.00 -1.07 0.00 0.00 179.97 176.62 1npq n ALA 12 N -2.36 2.54 0.20 0.04 0.00 0.29 -4.11 120.51 117.11 1npq n ALA 12 Ca 0.06 -0.44 0.05 0.00 0.00 0.00 0.00 53.44 53.11 1npq n ALA 12 Cb 0.57 -0.89 0.41 0.00 0.00 0.00 0.00 19.45 19.54 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 -1.59 0.00 0.04 0.52 -3.44 116.94 112.46 1npq h PHE 13 Ca -0.04 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.18 1npq h PHE 13 Cb 1.12 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.20 1npq h PHE 13 CO 0.00 0.34 -0.47 -0.51 -0.60 0.00 0.00 178.31 177.07 1npq s LEU 14 N -7.79 3.20 0.56 1.54 1.43 -1.01 -5.07 118.68 111.54 1npq s LEU 14 Ca -0.02 -0.97 -0.07 0.00 -1.03 0.00 0.00 54.13 52.04 1npq s LEU 14 Cb 0.13 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.70 1npq s LEU 14 CO 0.69 -0.56 0.90 -0.55 0.23 0.00 0.00 176.35 177.07 1npq s SER 15 N -3.96 6.03 0.57 2.29 0.15 -1.26 -4.93 113.70 112.59 1npq s SER 15 Ca 0.43 1.02 0.30 0.00 0.70 0.00 0.00 55.95 58.40 1npq s SER 15 Cb 0.02 -2.15 1.44 0.00 -1.71 0.00 0.00 66.02 63.61 1npq s SER 15 CO 0.24 -0.83 1.83 -0.08 1.20 0.00 0.00 173.24 175.60 1npq h GLU 16 N -0.08 0.00 0.98 5.44 4.22 -1.98 -1.15 114.58 122.01 1npq h GLU 16 Ca -0.46 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 58.94 1npq h GLU 16 Cb 1.22 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.48 1npq h GLU 16 CO 0.62 0.00 -0.47 0.93 -2.18 0.00 0.00 179.01 177.90 1npq h GLU 17 N 0.00 -1.27 -0.33 1.92 3.07 -1.99 -0.56 114.58 115.42 1npq h GLU 17 Ca 0.33 0.09 0.09 0.00 -0.50 0.00 0.00 59.36 59.37 1npq h GLU 17 Cb 1.59 0.29 -0.01 0.00 -0.84 0.00 0.00 28.75 29.78 1npq h GLU 17 CO -0.00 -0.85 0.47 1.98 -1.40 0.00 0.00 179.01 179.20 1npq h MET 18 N -1.33 0.00 0.07 2.33 4.05 -1.58 -0.88 114.93 117.59 1npq h MET 18 Ca -0.14 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.28 1npq h MET 18 Cb 1.01 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.81 1npq h MET 18 CO 0.22 0.00 -0.03 0.82 0.23 0.00 0.00 176.91 178.15 1npq h ILE 19 N 0.00 0.00 -0.27 1.77 2.04 -1.28 -1.00 117.51 118.78 1npq h ILE 19 Ca 0.15 -0.85 0.08 0.00 1.00 0.00 0.00 64.86 65.25 1npq h ILE 19 Cb 1.08 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1npq h ILE 19 CO -0.00 0.00 0.37 0.00 0.00 0.00 0.00 178.15 178.52 1npq h ALA 20 N -1.11 1.86 0.05 1.87 0.00 -0.44 0.31 119.26 121.79 1npq h ALA 20 Ca -0.01 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.58 1npq h ALA 20 Cb 0.07 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1npq h ALA 20 CO 0.02 -0.51 -1.73 0.93 0.00 0.00 0.00 179.25 177.96 1npq h GLU 21 N 0.00 0.10 -0.29 0.00 5.08 -1.27 -3.33 114.58 114.87 1npq h GLU 21 Ca 0.13 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1npq h GLU 21 Cb 0.87 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1npq h GLU 21 CO -0.00 0.78 0.12 0.74 -1.00 0.00 0.00 179.01 179.65 1npq h PHE 22 N 0.03 0.39 0.00 4.33 0.04 0.99 0.13 116.94 122.84 1npq h PHE 22 Ca -0.30 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.46 1npq h PHE 22 Cb 2.01 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 40.03 1npq h PHE 22 CO 0.03 0.30 0.00 -0.22 -0.60 0.00 0.00 178.31 177.82 1npq h LYS 23 N 0.40 0.00 0.02 1.51 1.63 -1.34 -3.20 116.57 115.59 1npq h LYS 23 Ca 0.10 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 1npq h LYS 23 Cb 0.07 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 1npq h LYS 23 CO -0.01 0.00 -0.07 0.00 -3.45 0.00 0.00 179.45 175.92 1npq h ALA 24 N 2.19 -0.63 0.00 5.00 0.00 -0.85 -2.47 119.26 122.50 1npq h ALA 24 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1npq h ALA 24 Cb 0.43 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1npq h ALA 24 CO 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 179.25 178.60 1npq n ALA 25 N -2.49 2.62 -0.20 0.00 0.00 -1.25 -4.18 120.51 115.01 1npq n ALA 25 Ca -0.01 -0.19 -0.09 0.00 0.00 0.00 0.00 53.44 53.15 1npq n ALA 25 Cb 0.06 -1.50 -0.05 0.00 0.00 0.00 0.00 19.45 17.96 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 -1.36 0.11 0.00 3.04 -1.43 1.08 116.94 118.38 1npq h PHE 26 Ca 0.00 0.08 -0.01 0.00 3.98 0.00 0.00 57.97 62.03 1npq h PHE 26 Cb 0.03 0.67 0.00 0.00 2.56 0.00 0.00 35.95 39.21 1npq h PHE 26 CO 0.00 -0.43 -0.05 0.38 -2.02 0.00 0.00 178.31 176.19 1npq h ASP 27 N -0.25 -0.12 -0.20 0.41 2.03 -1.73 -3.02 116.42 113.53 1npq h ASP 27 Ca 0.16 -0.32 0.06 0.00 -0.73 0.00 0.00 57.03 56.20 1npq h ASP 27 Cb 0.57 0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 39.09 1npq h ASP 27 CO -0.67 0.27 0.18 -0.03 -1.03 0.00 0.00 179.24 177.96 1npq h MET 28 N -0.54 0.00 0.00 4.15 4.05 -1.69 -3.15 114.93 117.75 1npq h MET 28 Ca -0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1npq h MET 28 Cb 0.43 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 1npq h MET 28 CO 0.02 0.00 0.00 1.19 0.23 0.00 0.00 176.91 178.35 1npq n PHE 29 N -4.05 0.00 -1.66 1.39 3.72 0.37 -4.58 117.46 112.65 1npq n PHE 29 Ca 0.02 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.98 1npq n PHE 29 Cb 0.31 -0.24 -0.03 0.00 -0.94 0.00 0.00 39.48 38.58 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 -1.21 3.93 -0.01 4.37 8.00 -1.19 -4.77 116.55 125.66 1npq n ASP 30 Ca 0.00 0.85 -0.08 0.00 0.71 0.00 0.00 54.79 56.26 1npq n ASP 30 Cb 0.00 -1.50 -0.07 0.00 -0.02 0.00 0.00 41.12 39.53 1npq n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1npq h ALA 31 N 10.77 -0.09 0.02 2.24 0.00 -1.83 -3.36 119.26 127.00 1npq h ALA 31 Ca -0.49 -0.24 -0.23 0.00 0.00 0.00 0.00 54.91 53.95 1npq h ALA 31 Cb 1.25 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1npq h ALA 31 CO 0.94 -0.12 -1.12 0.38 0.00 0.00 0.00 179.25 179.33 1npq h ASP 32 N -0.95 0.06 -3.90 0.00 2.03 -1.96 -3.50 116.42 108.20 1npq h ASP 32 Ca -0.01 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 1npq h ASP 32 Cb 0.52 -0.02 -0.05 0.00 -0.83 0.00 0.00 39.33 38.95 1npq h ASP 32 CO 0.02 1.05 -0.68 0.61 -1.03 0.00 0.00 179.24 179.20 1npq n GLY 33 N 1.40 -4.11 0.00 7.15 0.00 -1.26 -4.97 105.19 103.41 1npq n GLY 33 Ca -0.03 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 0.82 0.66 0.00 -0.02 0.00 -1.26 -5.10 105.19 100.29 1npq n GLY 34 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.79 3.10 -0.02 0.00 -1.26 -5.17 105.19 102.63 1npq n GLY 35 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 -0.97 -4.55 1.61 8.00 -1.26 -4.91 116.55 114.46 1npq n ASP 36 Ca 0.00 -2.93 -0.43 0.00 0.71 0.00 0.00 54.79 52.14 1npq n ASP 36 Cb 0.00 1.97 -0.05 0.00 -0.02 0.00 0.00 41.12 43.02 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 -3.04 4.62 0.00 0.53 1.01 -1.04 -4.70 121.20 118.58 1npq s ILE 37 Ca 0.33 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.55 1npq s ILE 37 Cb 0.01 -4.33 0.00 0.00 0.01 0.00 0.00 42.46 38.14 1npq s ILE 37 CO 0.23 -0.70 0.00 -0.24 0.00 0.00 0.00 174.94 174.23 1npq n SER 38 N 6.78 -0.03 0.06 3.58 2.88 -1.26 -0.87 113.62 124.76 1npq n SER 38 Ca 0.03 -0.34 -0.13 0.00 -1.33 0.00 0.00 58.87 57.10 1npq n SER 38 Cb 0.48 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.91 1npq n SER 38 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1npq h THR 39 N -0.39 1.39 0.10 2.46 1.35 -1.97 -3.20 112.91 112.65 1npq h THR 39 Ca 0.00 -2.36 -0.26 0.00 -0.55 0.00 0.00 66.41 63.24 1npq h THR 39 Cb 0.00 2.34 -0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1npq h THR 39 CO 0.00 0.71 -1.20 0.11 -0.25 0.00 0.00 175.52 174.89 1npq h LYS 40 N 0.26 0.22 -0.88 4.72 1.57 -1.95 -3.23 116.57 117.28 1npq h LYS 40 Ca -0.07 -0.38 0.07 0.00 -1.87 0.00 0.00 60.65 58.40 1npq h LYS 40 Cb 1.52 0.14 -0.06 0.00 0.08 0.00 0.00 32.23 33.91 1npq h LYS 40 CO 0.16 1.18 0.57 0.93 -0.57 0.00 0.00 179.45 181.72 1npq h GLU 41 N 0.06 0.94 0.44 3.15 5.08 -1.86 -1.95 114.58 120.44 1npq h GLU 41 Ca -0.11 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1npq h GLU 41 Cb 1.93 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.98 1npq h GLU 41 CO 0.19 0.62 -0.21 1.25 -1.00 0.00 0.00 179.01 179.86 1npq h LEU 42 N 0.97 -0.50 -1.92 1.33 7.12 -1.62 -3.16 115.31 117.54 1npq h LEU 42 Ca 0.38 -0.08 0.20 0.00 0.13 0.00 0.00 57.88 58.51 1npq h LEU 42 Cb 0.23 0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 40.46 1npq h LEU 42 CO -0.14 -0.08 0.59 1.23 -0.13 0.00 0.00 178.44 179.91 1npq h GLY 43 N -1.04 0.00 0.00 3.75 0.00 -1.54 -1.01 103.07 103.23 1npq h GLY 43 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1npq h GLY 43 CO 0.10 0.00 0.00 2.41 0.00 0.00 0.00 176.54 179.05 1npq n THR 44 N -3.92 0.00 0.28 4.70 -1.04 -0.75 0.78 114.28 114.34 1npq n THR 44 Ca 0.14 1.17 0.14 0.00 -2.04 0.00 0.00 64.05 63.45 1npq n THR 44 Cb 0.84 -2.09 0.84 0.00 -1.82 0.00 0.00 70.33 68.11 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 0.60 -0.00 12.58 3.04 -1.61 -0.62 116.25 130.24 1npq h VAL 45 Ca 0.00 -0.13 -0.20 0.00 -1.01 0.00 0.00 66.70 65.36 1npq h VAL 45 Cb 0.00 1.08 -0.01 0.00 -2.01 0.00 0.00 31.29 30.35 1npq h VAL 45 CO 0.00 0.03 -0.86 0.24 -1.01 0.00 0.00 177.57 175.97 1npq h MET 46 N 0.00 0.20 0.00 4.17 2.07 -1.12 -2.83 114.93 117.43 1npq h MET 46 Ca -0.00 -0.22 -0.17 0.00 -2.07 0.00 0.00 59.70 57.24 1npq h MET 46 Cb 0.08 0.06 -0.03 0.00 -1.87 0.00 0.00 31.60 29.84 1npq h MET 46 CO 0.00 0.95 -1.08 0.00 1.07 0.00 0.00 176.91 177.85 1npq h ARG 47 N 0.12 0.00 -0.53 1.72 3.08 0.13 0.16 114.38 119.06 1npq h ARG 47 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1npq h ARG 47 Cb 1.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.54 1npq h ARG 47 CO 0.13 0.51 0.00 0.00 -1.07 0.00 0.00 179.97 179.54 1npq n MET 48 N -3.10 2.23 0.00 0.04 0.00 -0.33 -4.28 117.12 111.68 1npq n MET 48 Ca -0.05 -1.90 0.00 0.00 0.00 0.00 0.00 57.70 55.75 1npq n MET 48 Cb 0.85 -1.41 0.00 0.00 0.00 0.00 0.00 33.22 32.66 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 1.04 2.22 0.00 3.17 4.77 -1.07 -5.02 117.00 122.11 1npq n LEU 49 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1npq n LEU 49 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1npq n LEU 49 CO 0.12 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1npq n GLY 50 N 3.34 0.95 3.72 -0.72 0.00 -1.13 -5.10 105.19 106.25 1npq n GLY 50 Ca 0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1npq n GLY 50 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1npq s GLN 51 N 0.00 1.54 -0.33 1.61 2.00 0.55 -4.94 119.66 120.10 1npq s GLN 51 Ca 0.00 1.10 0.17 0.00 -2.00 0.00 0.00 55.36 54.63 1npq s GLN 51 Cb 0.00 -1.82 0.45 0.00 0.80 0.00 0.00 33.01 32.44 1npq s GLN 51 CO 0.00 -2.12 1.06 -1.71 -0.50 0.00 0.00 175.29 172.02 1npq n ASN 52 N -3.84 0.75 -4.59 6.67 5.15 -1.26 -3.32 115.26 114.82 1npq n ASN 52 Ca 0.09 -2.58 -0.42 0.00 -0.60 0.00 0.00 54.58 51.06 1npq n ASN 52 Cb 0.54 -0.20 -0.02 0.00 -0.53 0.00 0.00 39.78 39.56 1npq n ASN 52 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1npq s PRO 53 N -2.48 3.45 0.84 1.20 0.04 -1.26 -5.01 135.00 131.78 1npq s PRO 53 Ca 0.26 0.70 -0.14 0.00 0.04 0.00 0.00 61.00 61.85 1npq s PRO 53 Cb 0.43 -4.06 0.22 0.00 0.04 0.00 0.00 34.50 31.13 1npq s PRO 53 CO 0.00 -1.73 0.49 2.41 0.04 0.00 0.00 177.00 178.21 1npq n THR 54 N 6.98 0.00 -0.02 1.26 -1.04 -1.26 -4.41 114.28 115.79 1npq n THR 54 Ca 0.14 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.21 1npq n THR 54 Cb 0.49 -0.56 0.44 0.00 -1.82 0.00 0.00 70.33 68.87 1npq n THR 54 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1npq h LYS 55 N 0.00 0.52 0.12 -2.82 3.11 -1.94 -1.94 116.57 113.62 1npq h LYS 55 Ca -0.22 -0.03 -0.29 0.00 -2.81 0.00 0.00 60.65 57.30 1npq h LYS 55 Cb 0.75 -0.12 0.02 0.00 -1.00 0.00 0.00 32.23 31.89 1npq h LYS 55 CO 0.13 0.35 -1.24 0.00 -2.81 0.00 0.00 179.45 175.88 1npq h GLU 57 N 0.20 0.07 0.00 0.00 4.39 -1.68 -1.70 114.58 115.86 1npq h GLU 57 Ca -0.17 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.47 1npq h GLU 57 Cb 1.92 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.54 1npq h GLU 57 CO 0.23 0.05 -0.24 -0.07 -1.16 0.00 0.00 179.01 177.81 1npq h LEU 58 N 0.07 0.00 -1.25 1.33 3.38 -1.48 -2.84 115.31 114.52 1npq h LEU 58 Ca 0.08 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1npq h LEU 58 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1npq h LEU 58 CO -0.12 0.24 -0.37 -0.78 0.09 0.00 0.00 178.44 177.51 1npq h ASP 59 N 0.00 0.00 1.09 -0.43 1.82 -0.94 0.11 116.42 118.07 1npq h ASP 59 Ca -0.00 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.56 1npq h ASP 59 Cb 0.78 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.78 1npq h ASP 59 CO 0.03 0.37 -0.36 0.00 -1.61 0.00 0.00 179.24 177.66 1npq h ALA 60 N 1.63 0.90 0.00 -0.78 0.00 -1.14 -2.71 119.26 117.17 1npq h ALA 60 Ca -0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1npq h ALA 60 Cb 0.68 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1npq h ALA 60 CO 0.05 0.46 -0.66 0.82 0.00 0.00 0.00 179.25 179.91 1npq h ILE 61 N 0.00 0.40 -0.93 0.00 5.03 -1.46 -3.38 117.51 117.18 1npq h ILE 61 Ca -0.00 -1.46 0.21 0.00 -0.12 0.00 0.00 64.86 63.49 1npq h ILE 61 Cb 1.01 0.91 -0.12 0.00 -3.03 0.00 0.00 36.82 35.59 1npq h ILE 61 CO 0.05 0.13 0.48 0.40 -0.68 0.00 0.00 178.15 178.53 1npq h ILE 62 N -1.00 0.57 -0.82 -0.67 2.04 -0.91 0.60 117.51 117.32 1npq h ILE 62 Ca -0.11 -0.18 0.24 0.00 1.00 0.00 0.00 64.86 65.80 1npq h ILE 62 Cb 0.74 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1npq h ILE 62 CO -0.07 0.10 0.61 0.00 0.00 0.00 0.00 178.15 178.79 1npq n GLU 64 N -4.22 0.68 -0.06 0.00 1.02 0.18 -4.26 120.64 113.97 1npq n GLU 64 Ca 0.17 0.13 -0.11 0.00 -0.02 0.00 0.00 57.16 57.32 1npq n GLU 64 Cb 0.91 -1.60 -0.05 0.00 -0.02 0.00 0.00 31.44 30.67 1npq n GLU 64 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1npq h VAL 65 N 0.01 1.23 -0.72 2.62 2.07 0.16 -3.13 116.25 118.48 1npq h VAL 65 Ca -0.48 -0.74 0.16 0.00 0.82 0.00 0.00 66.70 66.45 1npq h VAL 65 Cb 2.09 1.35 -0.11 0.00 -1.52 0.00 0.00 31.29 33.10 1npq h VAL 65 CO 0.02 0.23 0.17 0.44 0.02 0.00 0.00 177.57 178.44 1npq h ASP 66 N 0.11 0.00 -4.08 0.57 3.32 0.44 -3.45 116.42 113.33 1npq h ASP 66 Ca 0.06 0.14 -0.13 0.00 0.02 0.00 0.00 57.03 57.12 1npq h ASP 66 Cb 0.32 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1npq h ASP 66 CO 0.00 -0.04 -0.16 -1.84 -1.72 0.00 0.00 179.24 175.48 1npq n GLU 67 N -5.16 -2.43 0.00 3.56 0.28 -1.19 -4.19 120.64 111.52 1npq n GLU 67 Ca 0.14 0.33 0.00 0.00 -0.16 0.00 0.00 57.16 57.46 1npq n GLU 67 Cb 0.44 -4.83 0.00 0.00 1.43 0.00 0.00 31.44 28.48 1npq n GLU 67 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1npq n ASP 68 N -1.45 0.00 0.00 -1.84 5.68 -1.26 -5.06 116.55 112.62 1npq n ASP 68 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.21 1npq n ASP 68 Cb 0.52 0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.75 1npq n ASP 68 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1npq n GLY 69 N -1.32 0.63 0.01 6.12 0.00 -1.26 -5.06 105.19 104.31 1npq n GLY 69 Ca 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 3.83 0.00 1.61 3.41 -1.26 -5.01 113.62 116.20 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 0.00 1.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.97 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 2.39 2.12 3.77 5.00 0.00 -1.26 -5.01 105.19 112.20 1npq n GLY 71 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.37 1.74 -0.22 2.61 -4.23 -1.26 -4.06 115.64 107.86 1npq s THR 72 Ca 0.00 -1.78 0.01 0.00 -1.18 0.00 0.00 61.69 58.74 1npq s THR 72 Cb 0.00 -2.52 0.03 0.00 1.34 0.00 0.00 72.50 71.35 1npq s THR 72 CO 0.00 0.00 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.31 1npq s ILE 73 N -2.74 2.33 0.00 2.99 1.01 -0.05 -4.51 121.20 120.23 1npq s ILE 73 Ca 0.27 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 59.80 1npq s ILE 73 Cb 0.02 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.36 1npq s ILE 73 CO 0.15 0.31 0.00 -0.67 0.00 0.00 0.00 174.94 174.74 1npq n ASP 74 N 4.59 -1.96 0.00 3.58 2.03 -1.26 -2.49 116.55 121.04 1npq n ASP 74 Ca -0.18 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.12 1npq n ASP 74 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 1npq n ASP 74 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1npq n PHE 75 N -2.97 0.00 0.17 -0.67 3.01 -1.26 -3.60 117.46 112.15 1npq n PHE 75 Ca 0.00 0.00 0.19 0.00 1.01 0.00 0.00 57.45 58.65 1npq n PHE 75 Cb 0.00 0.00 0.77 0.00 -0.01 0.00 0.00 39.48 40.24 1npq n PHE 75 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1npq h GLU 76 N 0.00 0.00 -0.61 -1.08 5.08 -1.95 0.03 114.58 116.05 1npq h GLU 76 Ca 0.00 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.52 1npq h GLU 76 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1npq h GLU 76 CO 0.00 0.00 0.43 0.93 -1.00 0.00 0.00 179.01 179.37 1npq h GLU 77 N 0.00 0.11 0.00 2.33 5.08 -1.86 0.11 114.58 120.36 1npq h GLU 77 Ca 0.13 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1npq h GLU 77 Cb 0.91 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1npq h GLU 77 CO -0.00 0.07 0.16 0.74 -1.00 0.00 0.00 179.01 178.98 1npq h PHE 78 N 0.11 0.00 0.05 4.33 0.04 -1.04 0.33 116.94 120.77 1npq h PHE 78 Ca 0.30 0.00 -0.37 0.00 2.80 0.00 0.00 57.97 60.69 1npq h PHE 78 Cb 1.01 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.12 1npq h PHE 78 CO -0.00 0.00 -2.17 1.28 -0.60 0.00 0.00 178.31 176.82 1npq n LEU 79 N -2.77 2.61 -0.02 1.54 4.32 0.38 -4.31 117.00 118.75 1npq n LEU 79 Ca -0.02 0.11 -0.02 0.00 -0.02 0.00 0.00 56.01 56.06 1npq n LEU 79 Cb 0.21 -0.99 0.23 0.00 -1.62 0.00 0.00 43.42 41.26 1npq n LEU 79 CO 0.14 0.79 0.85 0.58 -1.22 0.00 0.00 177.39 178.53 1npq h VAL 80 N -0.20 1.23 -1.01 4.08 2.07 -1.15 -1.02 116.25 120.25 1npq h VAL 80 Ca -0.51 -1.01 0.27 0.00 0.82 0.00 0.00 66.70 66.27 1npq h VAL 80 Cb 1.86 1.08 -0.13 0.00 -1.52 0.00 0.00 31.29 32.58 1npq h VAL 80 CO -0.07 0.34 0.60 0.00 0.02 0.00 0.00 177.57 178.45 1npq h MET 81 N 0.52 0.49 0.00 1.57 -0.00 -0.58 0.23 114.93 117.16 1npq h MET 81 Ca 0.10 -0.03 -0.14 0.00 -0.00 0.00 0.00 59.70 59.63 1npq h MET 81 Cb 0.48 -0.11 -0.02 0.00 -0.00 0.00 0.00 31.60 31.95 1npq h MET 81 CO 0.03 0.33 -1.57 -1.33 -0.00 0.00 0.00 176.91 174.36 1npq n MET 82 N -4.89 0.63 0.18 -0.10 2.81 -1.02 -4.05 117.12 110.69 1npq n MET 82 Ca 0.28 0.10 0.03 0.00 -1.81 0.00 0.00 57.70 56.31 1npq n MET 82 Cb 0.81 -1.72 0.36 0.00 -0.71 0.00 0.00 33.22 31.96 1npq n MET 82 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1npq h VAL 83 N 0.00 1.17 0.00 2.03 2.07 0.66 0.87 116.25 123.04 1npq h VAL 83 Ca -0.16 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 65.97 1npq h VAL 83 Cb 1.47 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1npq h VAL 83 CO 0.03 0.38 0.00 0.03 0.02 0.00 0.00 177.57 178.03 1npq h ARG 84 N 0.00 0.00 0.00 1.57 3.08 -0.89 -2.93 114.38 115.21 1npq h ARG 84 Ca -0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 1npq h ARG 84 Cb 0.74 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.75 1npq h ARG 84 CO 0.05 0.00 -1.90 1.04 -1.07 0.00 0.00 179.97 178.09 1npq n GLN 85 N -2.59 1.71 0.23 0.04 1.13 -0.90 -4.19 117.38 112.81 1npq n GLN 85 Ca 0.04 0.01 -0.10 0.00 -1.94 0.00 0.00 57.00 55.01 1npq n GLN 85 Cb 0.44 -1.33 -0.05 0.00 0.11 0.00 0.00 30.24 29.41 1npq n GLN 85 CO 0.00 0.00 0.00 0.52 -1.44 0.00 0.00 177.06 176.14 1npq h MET 86 N 0.00 -0.61 -0.28 -1.09 2.86 0.67 -3.15 114.93 113.35 1npq h MET 86 Ca -0.35 0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.41 1npq h MET 86 Cb 1.77 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 33.56 1npq h MET 86 CO 0.01 -0.40 0.23 0.87 1.06 0.00 0.00 176.91 178.68 1npq h LYS 87 N -0.90 0.00 -3.52 1.72 6.56 -1.73 -3.48 116.57 115.22 1npq h LYS 87 Ca -0.06 0.00 0.36 0.00 -1.06 0.00 0.00 60.65 59.89 1npq h LYS 87 Cb 0.48 0.00 -0.18 0.00 -0.57 0.00 0.00 32.23 31.96 1npq h LYS 87 CO 0.11 0.00 -1.17 0.39 -2.06 0.00 0.00 179.45 176.71 1npq n GLU 88 N -4.13 -3.33 -0.10 3.15 -0.58 -1.19 -4.81 120.64 109.64 1npq n GLU 88 Ca 0.04 2.65 -0.12 0.00 -0.42 0.00 0.00 57.16 59.31 1npq n GLU 88 Cb 0.39 -3.92 -0.14 0.00 -0.57 0.00 0.00 31.44 27.20 1npq n GLU 88 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1npq n ASP 89 N -4.37 0.65 0.00 1.62 2.03 -1.26 -5.01 116.55 110.21 1npq n ASP 89 Ca -0.08 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.20 1npq n ASP 89 Cb 0.69 0.62 0.00 0.00 -0.72 0.00 0.00 41.12 41.72 1npq n ASP 89 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28