#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 0.65 0.00 0.00 7.64 -1.26 -5.02 113.62 115.63 1npq n SER 2 Ca 0.00 -1.69 0.00 0.00 1.01 0.00 0.00 58.87 58.19 1npq n SER 2 Cb 0.00 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 1npq n SER 2 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1npq n MET 3 N -2.82 0.00 -3.66 1.43 2.00 -1.26 -5.12 117.12 107.69 1npq n MET 3 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 57.70 57.77 1npq n MET 3 Cb 0.47 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.61 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 -1.42 -0.61 -1.93 2.03 -1.32 -1.26 -5.02 115.64 106.12 1npq s THR 4 Ca 0.00 0.10 0.28 0.00 -1.21 0.00 0.00 61.69 60.86 1npq s THR 4 Cb 0.00 -0.77 0.75 0.00 -1.51 0.00 0.00 72.50 70.97 1npq s THR 4 CO 0.00 0.04 2.00 0.47 -2.21 0.00 0.00 174.62 174.92 1npq n ASP 5 N 5.18 0.00 0.21 8.08 9.92 -1.26 -3.70 116.55 134.97 1npq n ASP 5 Ca -0.12 -0.77 0.18 0.00 -0.53 0.00 0.00 54.79 53.55 1npq n ASP 5 Cb 0.51 -0.04 0.82 0.00 -0.64 0.00 0.00 41.12 41.77 1npq n ASP 5 CO 0.00 0.00 0.00 0.06 0.13 0.00 0.00 177.20 177.39 1npq h GLN 6 N 0.00 0.00 0.00 -1.24 3.07 -2.00 0.49 115.11 115.43 1npq h GLN 6 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.70 1npq h GLN 6 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.59 1npq h GLN 6 CO 0.00 0.00 -0.20 1.96 0.09 0.00 0.00 178.83 180.68 1npq h GLN 7 N 0.00 0.00 0.00 0.06 4.20 -1.87 -2.97 115.11 114.52 1npq h GLN 7 Ca 0.10 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1npq h GLN 7 Cb 0.74 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.52 1npq h GLN 7 CO -0.00 0.20 -0.04 0.00 -0.67 0.00 0.00 178.83 178.32 1npq h ALA 8 N 1.80 0.01 -0.80 3.87 0.00 -0.29 -3.32 119.26 120.53 1npq h ALA 8 Ca -0.00 -0.52 0.07 0.00 0.00 0.00 0.00 54.91 54.46 1npq h ALA 8 Cb 1.11 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1npq h ALA 8 CO 0.03 0.02 0.52 0.93 0.00 0.00 0.00 179.25 180.75 1npq h GLU 9 N -1.00 0.81 -0.37 0.00 5.08 -1.56 -2.76 114.58 114.78 1npq h GLU 9 Ca -0.01 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1npq h GLU 9 Cb 1.00 -0.18 -0.07 0.00 0.50 0.00 0.00 28.75 30.00 1npq h GLU 9 CO -0.01 0.54 -0.49 0.00 -1.00 0.00 0.00 179.01 178.05 1npq h ALA 10 N 1.57 -0.72 -0.59 3.43 0.00 -1.61 1.32 119.26 122.67 1npq h ALA 10 Ca 0.35 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.44 1npq h ALA 10 Cb 0.30 1.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1npq h ALA 10 CO -0.13 -0.96 0.55 0.00 0.00 0.00 0.00 179.25 178.72 1npq h ARG 11 N -0.34 0.00 0.00 0.00 3.08 -1.59 0.60 114.38 116.14 1npq h ARG 11 Ca 0.07 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 1npq h ARG 11 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1npq h ARG 11 CO -0.53 0.00 -1.30 0.00 -1.07 0.00 0.00 179.97 177.06 1npq n ALA 12 N -2.44 2.33 0.13 0.04 0.00 0.15 -4.00 120.51 116.71 1npq n ALA 12 Ca 0.12 -0.40 0.01 0.00 0.00 0.00 0.00 53.44 53.16 1npq n ALA 12 Cb 0.78 -0.99 0.08 0.00 0.00 0.00 0.00 19.45 19.33 1npq n ALA 12 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1npq h PHE 13 N 0.00 0.00 -2.85 0.00 3.04 0.70 -3.45 116.94 114.38 1npq h PHE 13 Ca -0.07 0.00 -0.59 0.00 3.98 0.00 0.00 57.97 61.29 1npq h PHE 13 Cb 1.23 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 39.66 1npq h PHE 13 CO 0.00 0.61 -0.58 -0.51 -2.02 0.00 0.00 178.31 175.81 1npq s LEU 14 N -6.79 3.79 0.78 0.59 1.43 -0.45 -5.07 118.68 112.97 1npq s LEU 14 Ca 0.02 -0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 52.91 1npq s LEU 14 Cb 0.10 -2.43 0.06 0.00 0.03 0.00 0.00 46.19 43.95 1npq s LEU 14 CO 0.75 0.10 1.09 -0.55 0.23 0.00 0.00 176.35 177.97 1npq s SER 15 N -2.88 4.49 0.57 2.29 0.15 -1.26 -4.87 113.70 112.18 1npq s SER 15 Ca 0.30 1.68 0.30 0.00 0.70 0.00 0.00 55.95 58.94 1npq s SER 15 Cb -0.11 -2.41 1.44 0.00 -1.71 0.00 0.00 66.02 63.23 1npq s SER 15 CO 0.23 -2.02 1.83 -0.33 1.20 0.00 0.00 173.24 174.14 1npq h GLU 16 N -1.12 0.00 0.72 5.44 4.39 -1.98 -0.62 114.58 121.40 1npq h GLU 16 Ca -0.45 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.22 1npq h GLU 16 Cb 1.24 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.90 1npq h GLU 16 CO 0.54 0.00 -0.34 0.93 -1.16 0.00 0.00 179.01 178.97 1npq h GLU 17 N 0.00 -0.93 -0.12 2.33 5.08 -2.00 -0.94 114.58 118.01 1npq h GLU 17 Ca 0.34 0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.79 1npq h GLU 17 Cb 1.61 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 31.07 1npq h GLU 17 CO -0.00 -0.60 0.28 1.98 -1.00 0.00 0.00 179.01 179.66 1npq h MET 18 N -1.01 0.00 0.00 2.33 4.05 -1.45 -2.12 114.93 116.73 1npq h MET 18 Ca -0.10 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.32 1npq h MET 18 Cb 0.75 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.55 1npq h MET 18 CO 0.16 0.00 -0.01 0.82 0.23 0.00 0.00 176.91 178.11 1npq h ILE 19 N 0.00 0.00 -0.68 1.77 2.04 -1.27 -1.54 117.51 117.83 1npq h ILE 19 Ca 0.06 -0.67 0.20 0.00 1.00 0.00 0.00 64.86 65.45 1npq h ILE 19 Cb 0.62 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1npq h ILE 19 CO -0.00 0.00 0.75 0.00 0.00 0.00 0.00 178.15 178.90 1npq h ALA 20 N -1.33 2.48 0.01 1.87 0.00 -0.88 0.96 119.26 122.37 1npq h ALA 20 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.59 1npq h ALA 20 Cb 0.01 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1npq h ALA 20 CO 0.00 -1.10 -1.75 0.39 0.00 0.00 0.00 179.25 176.79 1npq n GLU 21 N -3.55 0.64 -0.01 0.00 -0.58 -0.82 -3.93 120.64 112.39 1npq n GLU 21 Ca 0.14 0.29 0.03 0.00 -0.42 0.00 0.00 57.16 57.20 1npq n GLU 21 Cb 0.99 -1.78 0.39 0.00 -0.57 0.00 0.00 31.44 30.47 1npq n GLU 21 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1npq h PHE 22 N 0.01 0.54 0.00 -0.32 3.04 0.20 0.98 116.94 121.39 1npq h PHE 22 Ca -0.30 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.65 1npq h PHE 22 Cb 2.02 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 40.35 1npq h PHE 22 CO 0.01 0.38 0.00 1.17 -2.02 0.00 0.00 178.31 177.85 1npq n LYS 23 N -4.43 0.15 0.00 1.11 3.00 -0.67 -3.83 118.16 113.49 1npq n LYS 23 Ca 0.03 0.25 0.00 0.00 -0.00 0.00 0.00 58.31 58.59 1npq n LYS 23 Cb 0.09 -1.73 0.00 0.00 0.00 0.00 0.00 35.03 33.40 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 -1.69 0.00 1.03 3.14 0.00 0.34 -2.34 120.51 121.00 1npq n ALA 24 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.60 1npq n ALA 24 Cb 0.31 0.19 0.56 0.00 0.00 0.00 0.00 19.45 20.51 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 -0.91 2.16 -0.41 0.00 0.00 -1.26 -3.77 120.51 116.32 1npq n ALA 25 Ca 0.00 -0.10 0.39 0.00 0.00 0.00 0.00 53.44 53.73 1npq n ALA 25 Cb 0.00 -1.37 0.77 0.00 0.00 0.00 0.00 19.45 18.84 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 3.57 -1.57 0.92 116.94 119.87 1npq h PHE 26 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1npq h PHE 26 Cb 0.25 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 1npq h PHE 26 CO 0.00 0.00 -0.11 -0.44 -2.23 0.00 0.00 178.31 175.53 1npq h ASP 27 N 0.00 0.00 -0.05 0.41 3.32 -1.70 -3.31 116.42 115.09 1npq h ASP 27 Ca 0.65 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.68 1npq h ASP 27 Cb 2.62 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 42.17 1npq h ASP 27 CO -0.01 0.57 0.05 0.24 -1.72 0.00 0.00 179.24 178.37 1npq h MET 28 N -1.00 0.00 0.00 3.56 2.86 -1.56 -3.14 114.93 115.65 1npq h MET 28 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1npq h MET 28 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1npq h MET 28 CO -0.00 0.00 0.00 1.19 1.06 0.00 0.00 176.91 179.16 1npq n PHE 29 N -4.03 0.00 -1.65 -0.22 3.72 0.31 -4.58 117.46 111.01 1npq n PHE 29 Ca -0.02 0.00 -0.50 0.00 -0.05 0.00 0.00 57.45 56.89 1npq n PHE 29 Cb 0.14 -0.43 -0.05 0.00 -0.94 0.00 0.00 39.48 38.20 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 -1.85 3.14 -0.10 4.37 8.00 -1.19 -4.86 116.55 124.06 1npq n ASP 30 Ca 0.00 0.88 -0.24 0.00 0.71 0.00 0.00 54.79 56.14 1npq n ASP 30 Cb 0.00 -1.34 -0.12 0.00 -0.02 0.00 0.00 41.12 39.65 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 7.15 1.09 0.30 2.24 0.00 -1.26 -4.24 120.51 125.78 1npq n ALA 31 Ca 0.26 -0.85 0.18 0.00 0.00 0.00 0.00 53.44 53.03 1npq n ALA 31 Cb 0.27 -0.24 0.89 0.00 0.00 0.00 0.00 19.45 20.37 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 -0.60 0.00 0.00 0.00 2.03 -1.94 -3.46 116.42 112.44 1npq h ASP 32 Ca -0.54 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.76 1npq h ASP 32 Cb 1.67 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.17 1npq h ASP 32 CO -0.21 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.61 1npq n GLY 33 N -0.60 1.95 1.61 7.15 0.00 -1.26 -4.90 105.19 109.14 1npq n GLY 33 Ca -0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 0.96 0.00 -0.02 0.00 -1.26 -4.83 105.19 100.03 1npq n GLY 34 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.58 1.25 2.96 -0.02 0.00 -1.26 -5.05 105.19 102.49 1npq n GLY 35 Ca -0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.63 -4.31 1.61 8.00 -1.26 -4.75 116.55 115.21 1npq n ASP 36 Ca 0.00 -3.02 -0.35 0.00 0.71 0.00 0.00 54.79 52.12 1npq n ASP 36 Cb 0.00 1.54 -0.14 0.00 -0.02 0.00 0.00 41.12 42.50 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 -3.25 3.47 0.00 0.53 1.01 -0.91 -4.71 121.20 117.35 1npq s ILE 37 Ca 0.37 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.47 1npq s ILE 37 Cb 0.02 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.86 1npq s ILE 37 CO 0.26 0.35 0.00 -0.24 0.00 0.00 0.00 174.94 175.31 1npq n SER 38 N 4.80 0.28 0.19 3.58 2.88 -1.26 -0.74 113.62 123.35 1npq n SER 38 Ca -0.17 -0.24 0.04 0.00 -1.33 0.00 0.00 58.87 57.17 1npq n SER 38 Cb 0.50 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 64.33 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 0.03 1.06 0.00 2.46 1.35 -1.90 -2.92 112.91 112.99 1npq h THR 39 Ca 0.00 -1.39 -0.16 0.00 -0.55 0.00 0.00 66.41 64.30 1npq h THR 39 Cb 0.00 1.80 -0.03 0.00 -1.73 0.00 0.00 68.15 68.19 1npq h THR 39 CO 0.00 0.37 -1.04 0.50 -0.25 0.00 0.00 175.52 175.10 1npq h LYS 40 N 0.00 0.00 0.00 4.72 3.64 -1.96 -3.29 116.57 119.68 1npq h LYS 40 Ca -0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1npq h LYS 40 Cb 0.77 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1npq h LYS 40 CO 0.05 0.50 -0.11 0.93 -2.27 0.00 0.00 179.45 178.55 1npq h GLU 41 N 0.00 0.00 0.03 1.90 5.08 -1.86 -3.22 114.58 116.51 1npq h GLU 41 Ca -0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1npq h GLU 41 Cb 1.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.83 1npq h GLU 41 CO 0.07 0.11 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.10 1npq h LEU 42 N 0.00 -0.03 -1.83 1.33 -0.00 -1.60 -3.33 115.31 109.84 1npq h LEU 42 Ca -0.00 0.00 0.33 0.00 -0.00 0.00 0.00 57.88 58.21 1npq h LEU 42 Cb 0.80 0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 41.42 1npq h LEU 42 CO 0.01 0.38 0.94 1.23 -0.00 0.00 0.00 178.44 181.00 1npq h GLY 43 N -0.84 0.00 0.00 0.83 0.00 -1.67 0.36 103.07 101.74 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 0.01 0.00 0.00 2.41 0.00 0.00 0.00 176.54 178.96 1npq n THR 44 N -3.89 0.00 0.26 4.70 -1.04 -1.22 0.09 114.28 113.18 1npq n THR 44 Ca 0.25 1.16 0.12 0.00 -2.04 0.00 0.00 64.05 63.54 1npq n THR 44 Cb 1.31 -2.10 0.71 0.00 -1.82 0.00 0.00 70.33 68.43 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 -1.60 -1.83 116.25 129.03 1npq h VAL 45 Ca 0.00 -0.55 -0.18 0.00 -1.01 0.00 0.00 66.70 64.96 1npq h VAL 45 Cb 0.00 1.35 -0.02 0.00 -2.01 0.00 0.00 31.29 30.61 1npq h VAL 45 CO 0.00 0.12 -0.84 0.24 -1.01 0.00 0.00 177.57 176.08 1npq h MET 46 N 0.00 0.11 0.03 4.17 2.86 -0.94 -2.82 114.93 118.34 1npq h MET 46 Ca -0.00 -0.12 -0.25 0.00 -2.06 0.00 0.00 59.70 57.26 1npq h MET 46 Cb 0.34 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 1npq h MET 46 CO 0.02 0.89 -1.32 0.00 1.06 0.00 0.00 176.91 177.56 1npq h ARG 47 N 0.06 0.06 -0.38 1.72 3.08 0.12 0.14 114.38 119.17 1npq h ARG 47 Ca -0.03 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1npq h ARG 47 Cb 1.47 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.55 1npq h ARG 47 CO 0.12 0.88 0.00 0.00 -1.07 0.00 0.00 179.97 179.90 1npq n MET 48 N -3.29 1.89 -0.01 0.04 0.00 -0.73 -4.04 117.12 110.99 1npq n MET 48 Ca -0.08 -1.37 -0.01 0.00 0.00 0.00 0.00 57.70 56.24 1npq n MET 48 Cb 1.00 -1.30 -0.01 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 2.35 0.00 3.17 4.77 -1.07 -5.03 117.00 121.79 1npq n LEU 49 Ca 0.13 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1npq n LEU 49 Cb 0.32 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1npq n LEU 49 CO 0.09 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1npq n GLY 50 N 3.32 1.59 3.75 -0.72 0.00 -1.10 -5.10 105.19 106.93 1npq n GLY 50 Ca -0.03 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 2.34 -0.34 1.61 2.00 0.46 -4.94 119.66 120.78 1npq s GLN 51 Ca 0.00 1.37 0.16 0.00 -2.00 0.00 0.00 55.36 54.89 1npq s GLN 51 Cb 0.00 -1.89 0.44 0.00 0.80 0.00 0.00 33.01 32.36 1npq s GLN 51 CO 0.00 -1.60 1.03 -1.71 -0.50 0.00 0.00 175.29 172.51 1npq n ASN 52 N -3.04 0.72 -4.59 6.67 2.85 -1.26 -3.47 115.26 113.14 1npq n ASN 52 Ca 0.10 -2.67 -0.42 0.00 -0.11 0.00 0.00 54.58 51.48 1npq n ASN 52 Cb 0.52 -0.20 -0.03 0.00 1.24 0.00 0.00 39.78 41.31 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 -2.41 3.19 1.17 1.20 0.04 -1.26 -4.98 135.00 131.95 1npq s PRO 53 Ca 0.26 1.27 -0.17 0.00 0.04 0.00 0.00 61.00 62.40 1npq s PRO 53 Cb 0.44 -4.23 0.20 0.00 0.04 0.00 0.00 34.50 30.95 1npq s PRO 53 CO 0.01 -2.04 0.40 -2.37 0.04 0.00 0.00 177.00 173.04 1npq n THR 54 N 7.38 0.00 0.22 1.26 5.66 -1.26 -4.42 114.28 123.12 1npq n THR 54 Ca 0.23 -0.24 0.18 0.00 -3.05 0.00 0.00 64.05 61.17 1npq n THR 54 Cb 0.48 -0.72 0.84 0.00 -1.55 0.00 0.00 70.33 69.38 1npq n THR 54 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1npq h LYS 55 N -2.60 0.00 0.01 1.09 1.63 -1.97 0.91 116.57 115.63 1npq h LYS 55 Ca -0.48 0.00 -0.24 0.00 -0.85 0.00 0.00 60.65 59.08 1npq h LYS 55 Cb 1.23 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.82 1npq h LYS 55 CO 0.34 0.00 -1.26 0.00 -3.45 0.00 0.00 179.45 175.07 1npq h GLU 57 N 0.00 -0.37 0.00 0.00 5.08 -1.08 -1.84 114.58 116.36 1npq h GLU 57 Ca -0.11 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1npq h GLU 57 Cb 1.86 0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.20 1npq h GLU 57 CO 0.12 -0.06 0.00 -0.07 -1.00 0.00 0.00 179.01 177.99 1npq h LEU 58 N -0.71 0.00 0.00 1.33 3.38 -1.65 -2.75 115.31 114.91 1npq h LEU 58 Ca -0.04 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.71 1npq h LEU 58 Cb 0.49 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1npq h LEU 58 CO 0.07 0.00 -1.20 0.44 0.09 0.00 0.00 178.44 177.83 1npq h ASP 59 N 0.00 0.00 0.53 -0.43 3.32 -1.38 -2.50 116.42 115.96 1npq h ASP 59 Ca 0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 1npq h ASP 59 Cb 0.43 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1npq h ASP 59 CO 0.00 0.94 -0.77 0.00 -1.72 0.00 0.00 179.24 177.68 1npq h ALA 60 N 1.06 0.65 0.03 3.45 0.00 -1.03 -2.78 119.26 120.64 1npq h ALA 60 Ca -0.10 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 54.14 1npq h ALA 60 Cb 1.81 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1npq h ALA 60 CO 0.10 0.86 -0.01 0.82 0.00 0.00 0.00 179.25 181.02 1npq h ILE 61 N 0.12 0.00 -1.42 0.00 5.03 -1.62 -2.96 117.51 116.66 1npq h ILE 61 Ca -0.03 -0.53 0.42 0.00 -0.12 0.00 0.00 64.86 64.60 1npq h ILE 61 Cb 1.36 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 35.07 1npq h ILE 61 CO 0.12 0.00 0.99 0.40 -0.68 0.00 0.00 178.15 178.98 1npq h ILE 62 N -0.57 0.25 -0.18 -0.67 2.04 -1.59 1.02 117.51 117.82 1npq h ILE 62 Ca -0.00 -0.02 -0.19 0.00 1.00 0.00 0.00 64.86 65.65 1npq h ILE 62 Cb 0.03 0.18 0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1npq h ILE 62 CO 0.01 0.01 -0.62 0.00 0.00 0.00 0.00 178.15 177.55 1npq h GLU 64 N 0.44 0.67 0.07 0.00 4.81 0.90 -3.32 114.58 118.16 1npq h GLU 64 Ca -0.03 -0.68 -0.00 0.00 -0.13 0.00 0.00 59.36 58.52 1npq h GLU 64 Cb 1.24 0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.81 1npq h GLU 64 CO 0.13 1.27 -0.03 0.28 -0.73 0.00 0.00 179.01 179.93 1npq h VAL 65 N 0.34 1.06 -0.71 0.32 2.07 0.21 -3.34 116.25 116.19 1npq h VAL 65 Ca -0.10 -0.43 -0.53 0.00 0.82 0.00 0.00 66.70 66.45 1npq h VAL 65 Cb 1.56 1.34 -0.06 0.00 -1.52 0.00 0.00 31.29 32.61 1npq h VAL 65 CO 0.18 0.11 1.71 -1.81 0.02 0.00 0.00 177.57 177.78 1npq s ASP 66 N -5.30 6.09 0.47 0.57 1.01 -0.31 -4.74 116.67 114.46 1npq s ASP 66 Ca -0.14 -2.08 0.15 0.00 0.71 0.00 0.00 52.55 51.19 1npq s ASP 66 Cb 0.04 -2.58 1.10 0.00 1.01 0.00 0.00 42.92 42.48 1npq s ASP 66 CO 0.65 -1.96 2.05 -0.33 0.21 0.00 0.00 175.17 175.80 1npq h GLU 67 N 8.56 0.03 0.00 8.23 4.39 -1.78 -1.67 114.58 132.34 1npq h GLU 67 Ca 0.34 -0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.89 1npq h GLU 67 Cb 0.90 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.53 1npq h GLU 67 CO 1.36 0.12 -0.71 0.38 -1.16 0.00 0.00 179.01 179.01 1npq h ASP 68 N 0.03 0.00 -1.49 1.42 2.03 -1.93 -3.48 116.42 113.00 1npq h ASP 68 Ca 0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 1npq h ASP 68 Cb 0.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.68 1npq h ASP 68 CO 0.01 0.71 0.00 0.61 -1.03 0.00 0.00 179.24 179.54 1npq n GLY 69 N 0.83 0.84 0.02 7.15 0.00 -0.63 -5.04 105.19 108.36 1npq n GLY 69 Ca -0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.74 4.02 0.00 1.61 3.41 -1.26 -5.02 113.62 115.64 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 0.26 0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 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 2.87 1.57 3.72 5.00 0.00 -1.26 -5.03 105.19 112.06 1npq n GLY 71 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.49 4.64 -0.32 2.61 -4.23 -1.26 -4.27 115.64 110.32 1npq s THR 72 Ca 0.00 -0.12 -0.14 0.00 -1.18 0.00 0.00 61.69 60.25 1npq s THR 72 Cb 0.00 -2.99 -0.02 0.00 1.34 0.00 0.00 72.50 70.83 1npq s THR 72 CO 0.00 0.59 0.31 -0.63 -0.54 0.00 0.00 174.62 174.36 1npq s ILE 73 N -0.77 5.21 0.27 2.99 1.01 0.08 -4.84 121.20 125.14 1npq s ILE 73 Ca 0.12 0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.80 1npq s ILE 73 Cb -0.12 -3.74 0.07 0.00 0.01 0.00 0.00 42.46 38.68 1npq s ILE 73 CO 0.03 0.00 0.18 0.47 0.00 0.00 0.00 174.94 175.62 1npq n ASP 74 N 5.27 -1.99 0.04 3.58 9.92 -1.26 -2.14 116.55 129.97 1npq n ASP 74 Ca -0.10 -0.33 -0.02 0.00 -0.53 0.00 0.00 54.79 53.81 1npq n ASP 74 Cb 0.50 -0.19 -0.01 0.00 -0.64 0.00 0.00 41.12 40.78 1npq n ASP 74 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1npq h PHE 75 N -2.11 -0.10 0.00 1.24 3.04 -1.97 -3.24 116.94 113.79 1npq h PHE 75 Ca -0.08 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.81 1npq h PHE 75 Cb 0.25 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.79 1npq h PHE 75 CO 0.00 -0.06 -0.28 0.93 -2.02 0.00 0.00 178.31 176.87 1npq h GLU 76 N -0.12 0.00 -0.48 1.11 3.07 -1.93 -3.04 114.58 113.19 1npq h GLU 76 Ca -0.01 0.00 0.14 0.00 -0.50 0.00 0.00 59.36 58.99 1npq h GLU 76 Cb 0.09 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 1npq h GLU 76 CO 0.02 0.28 0.53 0.93 -1.40 0.00 0.00 179.01 179.37 1npq h GLU 77 N 0.00 0.00 0.00 2.33 5.08 -1.83 0.56 114.58 120.72 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 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1npq h GLU 77 CO 0.04 0.00 0.00 0.34 -1.00 0.00 0.00 179.01 178.39 1npq n PHE 78 N -3.65 0.71 -0.09 4.33 7.35 -1.15 -1.34 117.46 123.62 1npq n PHE 78 Ca 0.09 0.30 -0.23 0.00 -0.76 0.00 0.00 57.45 56.85 1npq n PHE 78 Cb 0.72 -0.99 -0.12 0.00 0.35 0.00 0.00 39.48 39.45 1npq n PHE 78 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1npq n LEU 79 N -2.17 2.37 0.22 -2.13 4.32 0.19 -4.29 117.00 115.51 1npq n LEU 79 Ca 0.01 0.20 0.05 0.00 -0.02 0.00 0.00 56.01 56.25 1npq n LEU 79 Cb 0.17 -0.95 0.47 0.00 -1.62 0.00 0.00 43.42 41.49 1npq n LEU 79 CO 0.16 0.67 0.86 1.62 -1.22 0.00 0.00 177.39 179.49 1npq h VAL 80 N -0.48 1.16 -0.83 4.08 3.04 -1.43 -2.28 116.25 119.52 1npq h VAL 80 Ca -0.52 -0.77 0.12 0.00 -1.01 0.00 0.00 66.70 64.51 1npq h VAL 80 Cb 1.72 1.42 -0.08 0.00 -2.01 0.00 0.00 31.29 32.34 1npq h VAL 80 CO -0.17 0.22 0.45 0.00 -1.01 0.00 0.00 177.57 177.07 1npq h MET 81 N 0.00 0.69 0.02 4.17 -0.00 -1.40 0.07 114.93 118.48 1npq h MET 81 Ca -0.00 -0.04 -0.22 0.00 -0.00 0.00 0.00 59.70 59.44 1npq h MET 81 Cb 0.40 -0.16 -0.02 0.00 -0.00 0.00 0.00 31.60 31.82 1npq h MET 81 CO 0.03 0.46 -1.03 1.98 -0.00 0.00 0.00 176.91 178.35 1npq h MET 82 N 0.71 0.05 -0.69 -0.10 -1.53 -1.66 -3.30 114.93 108.42 1npq h MET 82 Ca 0.42 -0.08 -0.01 0.00 -3.44 0.00 0.00 59.70 56.59 1npq h MET 82 Cb 0.48 0.03 -0.03 0.00 -0.55 0.00 0.00 31.60 31.53 1npq h MET 82 CO -0.29 1.03 0.38 0.28 0.14 0.00 0.00 176.91 178.45 1npq h VAL 83 N 0.01 1.21 0.00 -5.77 2.07 -0.58 0.98 116.25 114.18 1npq h VAL 83 Ca -0.03 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1npq h VAL 83 Cb 1.78 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1npq h VAL 83 CO 0.14 0.23 0.00 0.03 0.02 0.00 0.00 177.57 177.99 1npq h ARG 84 N 0.95 0.00 0.00 1.57 3.08 -1.13 -1.69 114.38 117.16 1npq h ARG 84 Ca 0.24 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.21 1npq h ARG 84 Cb 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1npq h ARG 84 CO -0.04 0.00 -1.66 1.04 -1.07 0.00 0.00 179.97 178.24 1npq n GLN 85 N -2.65 1.05 0.01 0.04 1.13 -0.60 -4.17 117.38 112.20 1npq n GLN 85 Ca -0.00 -0.07 -0.19 0.00 -1.94 0.00 0.00 57.00 54.79 1npq n GLN 85 Cb 0.15 -1.30 -0.09 0.00 0.11 0.00 0.00 30.24 29.12 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 0.75 0.04 -1.09 2.86 0.13 -3.32 114.93 114.31 1npq h MET 86 Ca -0.12 -0.71 -0.00 0.00 -2.06 0.00 0.00 59.70 56.81 1npq h MET 86 Cb 1.02 0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.86 1npq h MET 86 CO 0.01 1.29 -0.02 0.87 1.06 0.00 0.00 176.91 180.12 1npq h LYS 87 N 0.47 -0.05 -5.21 1.72 1.57 -1.55 -3.49 116.57 110.03 1npq h LYS 87 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1npq h LYS 87 Cb 1.56 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.86 1npq h LYS 87 CO 0.18 0.43 -1.07 -1.91 -0.57 0.00 0.00 179.45 176.52 1npq n GLU 88 N -4.88 -3.45 -0.06 3.15 2.13 -1.25 -4.97 120.64 111.31 1npq n GLU 88 Ca -0.09 2.76 -0.11 0.00 0.66 0.00 0.00 57.16 60.39 1npq n GLU 88 Cb 0.26 -5.05 -0.15 0.00 0.27 0.00 0.00 31.44 26.77 1npq n GLU 88 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1npq n ASP 89 N 0.89 0.74 0.00 4.31 2.03 -1.26 -5.14 116.55 118.12 1npq n ASP 89 Ca -0.06 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.46 1npq n ASP 89 Cb 0.12 0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 1npq n ASP 89 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28