#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 -0.92 0.00 0.00 0.01 -1.26 -5.03 113.70 106.50 1npq s SER 2 Ca 0.00 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.95 1npq s SER 2 Cb 0.00 1.28 0.00 0.00 0.21 0.00 0.00 66.02 67.51 1npq s SER 2 CO 0.00 -0.12 0.00 0.23 0.41 0.00 0.00 173.24 173.76 1npq n MET 3 N 4.36 0.00 -3.37 12.44 2.00 -1.26 -5.10 117.12 126.19 1npq n MET 3 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.80 1npq n MET 3 Cb 0.59 -0.12 -0.03 0.00 0.00 0.00 0.00 33.22 33.67 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 -1.71 -0.88 -1.13 2.03 -1.32 -1.26 -5.02 115.64 106.34 1npq s THR 4 Ca 0.00 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.58 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 0.90 0.47 -2.21 0.00 0.00 174.62 173.78 1npq n ASP 5 N 5.39 2.02 0.03 8.08 8.00 -1.26 -4.60 116.55 134.21 1npq n ASP 5 Ca -0.07 -1.53 0.22 0.00 0.71 0.00 0.00 54.79 54.12 1npq n ASP 5 Cb 0.51 -0.04 0.71 0.00 -0.02 0.00 0.00 41.12 42.28 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 1.88 0.00 -0.39 -1.24 3.07 -2.00 0.36 115.11 116.79 1npq h GLN 6 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 1npq h GLN 6 Cb 0.47 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.01 1npq h GLN 6 CO 0.00 0.00 0.18 -0.56 0.09 0.00 0.00 178.83 178.54 1npq h GLN 7 N 0.00 0.53 0.13 0.06 -0.00 -1.88 -0.12 115.11 113.83 1npq h GLN 7 Ca 0.25 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.65 58.84 1npq h GLN 7 Cb 1.34 -0.11 0.00 0.00 -0.00 0.00 0.00 27.48 28.71 1npq h GLN 7 CO -0.00 0.42 -0.06 0.00 -0.00 0.00 0.00 178.83 179.19 1npq h ALA 8 N 1.66 -0.17 -0.64 0.06 0.00 -0.63 -3.17 119.26 116.38 1npq h ALA 8 Ca 0.14 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.87 1npq h ALA 8 Cb 0.07 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1npq h ALA 8 CO -0.02 -0.31 0.42 0.93 0.00 0.00 0.00 179.25 180.27 1npq h GLU 9 N -0.74 0.58 -0.14 0.00 5.08 -1.47 -2.52 114.58 115.37 1npq h GLU 9 Ca -0.02 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1npq h GLU 9 Cb 0.54 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.59 1npq h GLU 9 CO 0.03 0.39 -0.44 0.00 -1.00 0.00 0.00 179.01 177.98 1npq h ALA 10 N 1.66 -0.64 -0.47 3.43 0.00 -0.99 1.21 119.26 123.46 1npq h ALA 10 Ca 0.28 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.31 1npq h ALA 10 Cb 0.32 0.83 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1npq h ALA 10 CO -0.09 -0.95 0.46 -0.09 0.00 0.00 0.00 179.25 178.58 1npq h ARG 11 N -0.50 0.00 0.00 0.00 2.43 -1.43 0.38 114.38 115.26 1npq h ARG 11 Ca 0.07 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1npq h ARG 11 Cb 0.64 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1npq h ARG 11 CO -0.41 0.00 -1.42 0.00 -1.51 0.00 0.00 179.97 176.62 1npq n ALA 12 N -2.41 2.58 0.15 2.80 0.00 0.67 -4.09 120.51 120.21 1npq n ALA 12 Ca 0.09 -0.38 0.02 0.00 0.00 0.00 0.00 53.44 53.17 1npq n ALA 12 Cb 0.65 -0.95 0.19 0.00 0.00 0.00 0.00 19.45 19.34 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 -1.71 0.00 3.57 0.56 -3.45 116.94 115.92 1npq h PHE 13 Ca -0.02 0.00 -0.50 0.00 3.53 0.00 0.00 57.97 60.98 1npq h PHE 13 Cb 1.06 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.75 1npq h PHE 13 CO 0.00 0.52 -0.43 -0.51 -2.23 0.00 0.00 178.31 175.66 1npq s LEU 14 N -7.01 3.44 0.56 0.59 1.43 -0.80 -5.07 118.68 111.83 1npq s LEU 14 Ca 0.01 -0.67 -0.06 0.00 -1.03 0.00 0.00 54.13 52.38 1npq s LEU 14 Cb 0.11 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 1npq s LEU 14 CO 0.73 -0.48 0.88 -0.55 0.23 0.00 0.00 176.35 177.17 1npq s SER 15 N -4.02 5.88 0.57 2.29 0.15 -1.26 -4.92 113.70 112.39 1npq s SER 15 Ca 0.43 0.88 0.30 0.00 0.70 0.00 0.00 55.95 58.27 1npq s SER 15 Cb -0.04 -1.99 1.44 0.00 -1.71 0.00 0.00 66.02 63.72 1npq s SER 15 CO 0.26 -0.89 1.83 -0.33 1.20 0.00 0.00 173.24 175.31 1npq h GLU 16 N -0.08 0.00 0.96 5.44 3.07 -1.99 -1.13 114.58 120.86 1npq h GLU 16 Ca -0.46 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.36 1npq h GLU 16 Cb 1.23 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.15 1npq h GLU 16 CO 0.61 0.00 -0.49 0.93 -1.40 0.00 0.00 179.01 178.67 1npq h GLU 17 N 0.00 -1.27 -0.28 2.33 4.39 -1.99 0.10 114.58 117.86 1npq h GLU 17 Ca 0.33 0.09 0.08 0.00 0.34 0.00 0.00 59.36 60.20 1npq h GLU 17 Cb 1.60 0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 30.53 1npq h GLU 17 CO -0.00 -0.85 0.40 1.98 -1.16 0.00 0.00 179.01 179.38 1npq h MET 18 N -1.32 0.00 0.00 2.33 4.05 -1.57 -0.47 114.93 117.94 1npq h MET 18 Ca -0.13 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.29 1npq h MET 18 Cb 1.02 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.82 1npq h MET 18 CO 0.20 0.00 -0.00 0.82 0.23 0.00 0.00 176.91 178.16 1npq h ILE 19 N 0.00 0.00 -0.62 1.77 2.04 -1.24 -0.84 117.51 118.62 1npq h ILE 19 Ca 0.13 -0.63 0.18 0.00 1.00 0.00 0.00 64.86 65.54 1npq h ILE 19 Cb 0.93 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1npq h ILE 19 CO -0.00 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.74 1npq h ALA 20 N -1.37 2.42 0.00 1.87 0.00 -0.43 0.79 119.26 122.55 1npq h ALA 20 Ca 0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 1npq h ALA 20 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1npq h ALA 20 CO 0.00 -0.91 -1.47 0.93 0.00 0.00 0.00 179.25 177.80 1npq h GLU 21 N 0.00 0.00 -0.55 0.00 5.08 -1.20 -3.32 114.58 114.59 1npq h GLU 21 Ca 0.30 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 1npq h GLU 21 Cb 1.47 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.70 1npq h GLU 21 CO -0.00 0.44 0.18 0.74 -1.00 0.00 0.00 179.01 179.37 1npq h PHE 22 N 0.00 0.88 0.00 4.33 0.04 0.21 -1.64 116.94 120.76 1npq h PHE 22 Ca -0.20 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.49 1npq h PHE 22 Cb 1.78 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 39.68 1npq h PHE 22 CO 0.00 0.74 0.00 1.17 -0.60 0.00 0.00 178.31 179.62 1npq n LYS 23 N -4.46 0.19 -0.00 1.51 0.00 -0.54 -3.54 118.16 111.33 1npq n LYS 23 Ca 0.02 0.44 -0.02 0.00 0.00 0.00 0.00 58.31 58.76 1npq n LYS 23 Cb 0.19 -1.88 -0.01 0.00 0.00 0.00 0.00 35.03 33.33 1npq n LYS 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1npq h ALA 24 N 2.24 -0.50 -0.00 3.14 0.00 -1.39 -2.30 119.26 120.46 1npq h ALA 24 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1npq h ALA 24 Cb 0.34 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1npq h ALA 24 CO 0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 179.25 178.72 1npq n ALA 25 N -2.62 2.62 0.15 0.00 0.00 -1.25 -3.84 120.51 115.58 1npq n ALA 25 Ca -0.01 -0.20 0.19 0.00 0.00 0.00 0.00 53.44 53.42 1npq n ALA 25 Cb 0.05 -1.48 0.78 0.00 0.00 0.00 0.00 19.45 18.80 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 0.16 0.00 0.00 0.00 3.04 -1.45 0.13 116.94 118.82 1npq h PHE 26 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1npq h PHE 26 Cb 0.16 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.67 1npq h PHE 26 CO 0.00 0.00 -0.15 0.22 -2.02 0.00 0.00 178.31 176.36 1npq h ASP 27 N 0.00 0.00 -0.38 0.41 3.58 -1.70 -3.33 116.42 115.00 1npq h ASP 27 Ca 0.14 0.00 0.11 0.00 0.42 0.00 0.00 57.03 57.70 1npq h ASP 27 Cb 0.89 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.93 1npq h ASP 27 CO -0.00 0.49 0.34 0.24 -2.88 0.00 0.00 179.24 177.43 1npq h MET 28 N -0.84 0.00 0.00 0.28 2.86 -1.74 -3.05 114.93 112.44 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 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 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 -3.99 0.00 -1.68 -0.22 3.72 0.43 -4.57 117.46 111.15 1npq n PHE 29 Ca 0.06 0.00 -0.47 0.00 -0.05 0.00 0.00 57.45 56.99 1npq n PHE 29 Cb 0.52 -0.24 -0.04 0.00 -0.94 0.00 0.00 39.48 38.77 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 -1.31 3.55 -0.09 4.37 8.00 -1.16 -4.85 116.55 125.06 1npq n ASP 30 Ca 0.00 0.95 -0.17 0.00 0.71 0.00 0.00 54.79 56.28 1npq n ASP 30 Cb 0.00 -1.39 -0.10 0.00 -0.02 0.00 0.00 41.12 39.61 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 9.54 0.17 0.00 2.24 0.00 -1.84 -3.39 119.26 125.97 1npq h ALA 31 Ca -0.48 -0.93 -0.18 0.00 0.00 0.00 0.00 54.91 53.31 1npq h ALA 31 Cb 1.27 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 19.57 1npq h ALA 31 CO 0.95 0.51 -1.01 0.38 0.00 0.00 0.00 179.25 180.08 1npq h ASP 32 N -1.00 0.00 -3.76 0.00 2.03 -1.97 -3.50 116.42 108.22 1npq h ASP 32 Ca -0.22 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.08 1npq h ASP 32 Cb 1.08 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.55 1npq h ASP 32 CO -0.13 0.79 -0.48 0.61 -1.03 0.00 0.00 179.24 179.00 1npq n GLY 33 N 1.35 -3.60 0.00 7.15 0.00 -1.26 -4.94 105.19 103.89 1npq n GLY 33 Ca -0.03 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 0.44 0.71 0.00 -0.02 0.00 -1.26 -5.10 105.19 99.96 1npq n GLY 34 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.35 1.31 -0.02 0.00 -1.26 -5.16 105.19 100.41 1npq n GLY 35 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.77 -4.64 1.61 8.00 -1.26 -4.94 116.55 114.55 1npq n ASP 36 Ca 0.00 -1.58 -0.39 0.00 0.71 0.00 0.00 54.79 53.53 1npq n ASP 36 Cb 0.00 1.30 -0.08 0.00 -0.02 0.00 0.00 41.12 42.32 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 -2.67 5.15 0.00 0.53 1.01 -1.02 -4.79 121.20 119.41 1npq s ILE 37 Ca 0.06 0.73 0.00 0.00 0.00 0.00 0.00 60.65 61.45 1npq s ILE 37 Cb -0.02 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.70 1npq s ILE 37 CO 0.05 0.18 0.00 -1.54 0.00 0.00 0.00 174.94 173.62 1npq n SER 38 N 5.02 0.70 0.17 3.58 3.41 -1.26 -0.92 113.62 124.32 1npq n SER 38 Ca -0.07 -0.44 0.01 0.00 -0.26 0.00 0.00 58.87 58.11 1npq n SER 38 Cb 0.51 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.77 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 0.15 1.29 0.17 6.66 1.35 -1.93 -2.74 112.91 117.87 1npq h THR 39 Ca 0.00 -1.40 -0.30 0.00 -0.55 0.00 0.00 66.41 64.16 1npq h THR 39 Cb 0.00 1.73 0.03 0.00 -1.73 0.00 0.00 68.15 68.18 1npq h THR 39 CO 0.00 0.40 -1.27 0.11 -0.25 0.00 0.00 175.52 174.51 1npq h LYS 40 N 0.03 0.56 0.00 4.72 1.79 -1.97 -3.01 116.57 118.69 1npq h LYS 40 Ca 0.00 -0.83 -0.02 0.00 -2.18 0.00 0.00 60.65 57.62 1npq h LYS 40 Cb 0.73 0.29 -0.00 0.00 -1.58 0.00 0.00 32.23 31.66 1npq h LYS 40 CO 0.05 1.38 -0.08 0.93 -1.08 0.00 0.00 179.45 180.66 1npq h GLU 41 N 0.15 0.00 0.00 3.15 5.08 -1.87 -2.71 114.58 118.38 1npq h GLU 41 Ca -0.21 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1npq h GLU 41 Cb 1.96 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.21 1npq h GLU 41 CO 0.24 0.08 -0.01 1.25 -1.00 0.00 0.00 179.01 179.57 1npq h LEU 42 N 0.00 0.00 -2.65 1.33 7.12 -1.52 -3.30 115.31 116.29 1npq h LEU 42 Ca -0.00 -0.88 0.00 0.00 0.13 0.00 0.00 57.88 57.13 1npq h LEU 42 Cb 0.22 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.35 1npq h LEU 42 CO 0.01 0.94 0.11 1.23 -0.13 0.00 0.00 178.44 180.61 1npq h GLY 43 N -1.00 0.00 0.00 3.75 0.00 -1.38 -2.14 103.07 102.30 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 -3.05 0.00 -0.31 4.70 -1.04 -1.04 -2.12 114.28 111.43 1npq n THR 44 Ca -0.03 0.77 0.05 0.00 -2.04 0.00 0.00 64.05 62.81 1npq n THR 44 Cb 0.18 -1.52 0.25 0.00 -1.82 0.00 0.00 70.33 67.42 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 1.01 0.00 12.58 3.04 -1.68 -0.70 116.25 130.50 1npq h VAL 45 Ca 0.00 -0.34 -0.02 0.00 -1.01 0.00 0.00 66.70 65.33 1npq h VAL 45 Cb 0.00 -0.06 -0.00 0.00 -2.01 0.00 0.00 31.29 29.21 1npq h VAL 45 CO 0.00 0.18 -0.11 0.24 -1.01 0.00 0.00 177.57 176.87 1npq h MET 46 N 0.99 0.00 0.00 4.17 2.07 -1.52 -1.69 114.93 118.95 1npq h MET 46 Ca 0.42 0.00 -0.25 0.00 -2.07 0.00 0.00 59.70 57.79 1npq h MET 46 Cb 0.31 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 30.00 1npq h MET 46 CO -0.18 0.11 -1.55 0.00 1.07 0.00 0.00 176.91 176.37 1npq h ARG 47 N 0.00 0.00 -0.53 1.72 3.08 -0.61 -0.49 114.38 117.55 1npq h ARG 47 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1npq h ARG 47 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1npq h ARG 47 CO 0.01 0.50 0.00 0.00 -1.07 0.00 0.00 179.97 179.41 1npq n MET 48 N -3.05 2.24 -0.03 0.04 0.00 -0.71 -4.20 117.12 111.42 1npq n MET 48 Ca -0.13 -1.89 -0.04 0.00 0.00 0.00 0.00 57.70 55.64 1npq n MET 48 Cb 0.99 -1.42 -0.02 0.00 0.00 0.00 0.00 33.22 32.77 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 1.03 2.92 0.00 3.17 4.77 -0.67 -5.04 117.00 123.18 1npq n LEU 49 Ca 0.18 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1npq n LEU 49 Cb 0.45 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1npq n LEU 49 CO 0.12 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1npq n GLY 50 N 3.23 1.52 3.64 -0.72 0.00 -1.20 -5.11 105.19 106.56 1npq n GLY 50 Ca -0.09 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 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 0.21 -0.31 1.61 2.00 -0.20 -4.96 119.66 118.02 1npq s GLN 51 Ca 0.00 0.62 0.19 0.00 -2.00 0.00 0.00 55.36 54.17 1npq s GLN 51 Cb 0.00 -1.70 0.47 0.00 0.80 0.00 0.00 33.01 32.57 1npq s GLN 51 CO 0.00 -2.90 1.12 -1.71 -0.50 0.00 0.00 175.29 171.30 1npq n ASN 52 N -4.31 0.84 -4.48 6.67 5.15 -1.25 -3.81 115.26 114.06 1npq n ASN 52 Ca 0.05 -2.36 -0.47 0.00 -0.60 0.00 0.00 54.58 51.20 1npq n ASN 52 Cb 0.56 -0.22 -0.07 0.00 -0.53 0.00 0.00 39.78 39.53 1npq n ASN 52 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1npq n PRO 53 N -0.49 1.10 -0.53 1.20 -0.02 -1.26 -4.92 135.00 130.08 1npq n PRO 53 Ca 0.04 0.26 -0.29 0.00 -2.02 0.00 0.00 63.50 61.49 1npq n PRO 53 Cb 0.82 -2.62 0.25 0.00 -0.02 0.00 0.00 33.50 31.93 1npq n PRO 53 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1npq s THR 54 N 8.26 2.01 0.55 3.45 2.01 -1.26 -4.61 115.64 126.05 1npq s THR 54 Ca 1.09 0.00 0.24 0.00 0.31 0.00 0.00 61.69 63.33 1npq s THR 54 Cb -0.73 -2.02 0.35 0.00 0.01 0.00 0.00 72.50 70.10 1npq s THR 54 CO 0.44 -0.01 2.08 0.50 -0.69 0.00 0.00 174.62 176.95 1npq h LYS 55 N -2.58 0.00 0.06 4.92 1.63 -1.96 -0.98 116.57 117.66 1npq h LYS 55 Ca -0.59 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 58.92 1npq h LYS 55 Cb 1.32 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.93 1npq h LYS 55 CO 0.48 0.00 -1.54 0.00 -3.45 0.00 0.00 179.45 174.95 1npq h GLU 57 N 0.03 -1.18 -0.19 0.00 5.08 -1.50 0.59 114.58 117.41 1npq h GLU 57 Ca -0.23 0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1npq h GLU 57 Cb 1.97 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 31.48 1npq h GLU 57 CO 0.12 -0.79 -0.07 -0.07 -1.00 0.00 0.00 179.01 177.20 1npq h LEU 58 N -1.23 0.27 -1.49 1.33 3.38 -1.63 -1.46 115.31 114.48 1npq h LEU 58 Ca -0.11 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1npq h LEU 58 Cb 0.98 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1npq h LEU 58 CO 0.13 0.39 -0.21 -0.78 0.09 0.00 0.00 178.44 178.06 1npq h ASP 59 N 0.28 0.00 0.76 -0.43 1.82 -1.39 0.38 116.42 117.84 1npq h ASP 59 Ca 0.06 0.00 -0.25 0.00 -0.39 0.00 0.00 57.03 56.45 1npq h ASP 59 Cb 0.32 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.32 1npq h ASP 59 CO 0.01 0.21 -1.17 0.00 -1.61 0.00 0.00 179.24 176.68 1npq h ALA 60 N 1.79 0.21 0.05 -0.78 0.00 0.19 -3.07 119.26 117.66 1npq h ALA 60 Ca -0.00 -0.91 -0.00 0.00 0.00 0.00 0.00 54.91 53.99 1npq h ALA 60 Cb 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1npq h ALA 60 CO 0.03 1.10 -0.02 0.82 0.00 0.00 0.00 179.25 181.17 1npq h ILE 61 N 0.04 0.46 -0.83 0.00 5.03 -1.09 -3.15 117.51 117.97 1npq h ILE 61 Ca -0.09 -1.26 0.20 0.00 -0.12 0.00 0.00 64.86 63.59 1npq h ILE 61 Cb 1.90 0.85 -0.13 0.00 -3.03 0.00 0.00 36.82 36.40 1npq h ILE 61 CO 0.17 0.15 0.20 0.40 -0.68 0.00 0.00 178.15 178.39 1npq h ILE 62 N -1.00 0.39 -0.45 -0.67 2.04 -1.09 1.17 117.51 117.89 1npq h ILE 62 Ca -0.01 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.80 1npq h ILE 62 Cb 0.30 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1npq h ILE 62 CO 0.01 0.04 0.30 0.00 0.00 0.00 0.00 178.15 178.51 1npq h GLU 64 N 0.54 0.16 -0.02 0.00 5.08 0.64 -3.34 114.58 117.64 1npq h GLU 64 Ca 0.18 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1npq h GLU 64 Cb 0.05 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1npq h GLU 64 CO -0.04 1.04 -0.01 0.28 -1.00 0.00 0.00 179.01 179.28 1npq h VAL 65 N 0.04 1.32 -2.94 3.13 2.07 0.20 -3.42 116.25 116.65 1npq h VAL 65 Ca -0.15 -0.96 -0.57 0.00 0.82 0.00 0.00 66.70 65.83 1npq h VAL 65 Cb 1.94 1.94 -0.04 0.00 -1.52 0.00 0.00 31.29 33.61 1npq h VAL 65 CO 0.15 0.25 0.97 -1.81 0.02 0.00 0.00 177.57 177.16 1npq s ASP 66 N -5.64 6.75 -0.38 0.57 1.11 0.14 -4.89 116.67 114.34 1npq s ASP 66 Ca -0.15 1.57 0.07 0.00 0.18 0.00 0.00 52.55 54.21 1npq s ASP 66 Cb 0.03 -2.54 0.66 0.00 1.07 0.00 0.00 42.92 42.14 1npq s ASP 66 CO 0.68 -0.95 1.80 -0.62 1.18 0.00 0.00 175.17 177.26 1npq n GLU 67 N 7.03 2.61 -0.62 8.23 -0.58 -1.26 -4.21 120.64 131.85 1npq n GLU 67 Ca 0.15 -3.06 -0.00 0.00 -0.42 0.00 0.00 57.16 53.83 1npq n GLU 67 Cb 0.45 -2.12 -0.00 0.00 -0.57 0.00 0.00 31.44 29.20 1npq n GLU 67 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1npq n ASP 68 N -0.85 0.02 -3.69 1.62 5.75 -1.26 -5.03 116.55 113.11 1npq n ASP 68 Ca 0.49 -1.63 -0.28 0.00 -0.01 0.00 0.00 54.79 53.36 1npq n ASP 68 Cb 1.47 -0.10 0.03 0.00 -1.03 0.00 0.00 41.12 41.49 1npq n ASP 68 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1npq n GLY 69 N 0.04 -0.78 0.00 6.12 0.00 -1.26 -4.91 105.19 104.40 1npq n GLY 69 Ca -0.01 0.37 -0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -2.82 4.39 0.00 1.61 3.41 -1.26 -5.02 113.62 113.92 1npq n SER 70 Ca -0.16 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1npq n SER 70 Cb 0.62 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 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 3.25 0.72 3.62 5.00 0.00 -1.26 -5.02 105.19 111.50 1npq n GLY 71 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.93 3.77 -0.27 2.61 -4.23 -1.26 -4.43 115.64 108.90 1npq s THR 72 Ca 0.00 -0.75 -0.08 0.00 -1.18 0.00 0.00 61.69 59.67 1npq s THR 72 Cb 0.00 -2.66 -0.03 0.00 1.34 0.00 0.00 72.50 71.16 1npq s THR 72 CO 0.00 0.37 0.10 -0.63 -0.54 0.00 0.00 174.62 173.92 1npq s ILE 73 N -1.03 4.46 0.00 2.99 1.01 -0.09 -4.76 121.20 123.78 1npq s ILE 73 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.63 1npq s ILE 73 Cb -0.11 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.22 1npq s ILE 73 CO 0.09 0.27 0.00 -0.67 0.00 0.00 0.00 174.94 174.63 1npq n ASP 74 N 4.95 -0.24 0.00 3.58 2.03 -1.26 -2.43 116.55 123.18 1npq n ASP 74 Ca -0.15 -0.80 0.00 0.00 0.52 0.00 0.00 54.79 54.35 1npq n ASP 74 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 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 -1.97 0.00 0.26 -0.67 3.01 -1.26 -2.67 117.46 114.16 1npq n PHE 75 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.55 1npq n PHE 75 Cb 0.00 0.00 0.66 0.00 -0.01 0.00 0.00 39.48 40.13 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 -0.43 -1.08 3.07 -1.96 -1.70 114.58 112.48 1npq h GLU 76 Ca 0.00 0.00 0.13 0.00 -0.50 0.00 0.00 59.36 58.99 1npq h GLU 76 Cb 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 1npq h GLU 76 CO 0.00 0.04 0.43 0.93 -1.40 0.00 0.00 179.01 179.01 1npq h GLU 77 N 0.00 0.00 0.00 2.33 5.08 -1.85 0.60 114.58 120.74 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 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1npq h GLU 77 CO 0.00 0.00 0.00 0.34 -1.00 0.00 0.00 179.01 178.35 1npq n PHE 78 N -3.81 0.35 -0.10 4.33 7.35 -0.64 -1.94 117.46 123.01 1npq n PHE 78 Ca 0.08 0.13 -0.23 0.00 -0.76 0.00 0.00 57.45 56.67 1npq n PHE 78 Cb 0.62 -0.71 -0.12 0.00 0.35 0.00 0.00 39.48 39.62 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 -1.81 2.33 0.22 -2.13 4.32 0.21 -4.29 117.00 115.85 1npq n LEU 79 Ca 0.03 0.22 0.06 0.00 -0.02 0.00 0.00 56.01 56.30 1npq n LEU 79 Cb 0.22 -0.94 0.54 0.00 -1.62 0.00 0.00 43.42 41.63 1npq n LEU 79 CO 0.18 0.65 0.97 1.62 -1.22 0.00 0.00 177.39 179.60 1npq h VAL 80 N -0.53 1.08 -0.82 4.08 3.04 -1.43 -2.14 116.25 119.53 1npq h VAL 80 Ca -0.53 -0.39 0.12 0.00 -1.01 0.00 0.00 66.70 64.89 1npq h VAL 80 Cb 1.70 1.17 -0.08 0.00 -2.01 0.00 0.00 31.29 32.07 1npq h VAL 80 CO -0.19 0.11 0.43 0.00 -1.01 0.00 0.00 177.57 176.92 1npq h MET 81 N 0.04 0.65 0.00 4.17 -0.00 -1.57 0.24 114.93 118.47 1npq h MET 81 Ca 0.01 -0.04 -0.19 0.00 -0.00 0.00 0.00 59.70 59.48 1npq h MET 81 Cb 0.19 -0.15 -0.03 0.00 -0.00 0.00 0.00 31.60 31.62 1npq h MET 81 CO 0.01 0.43 -0.90 1.98 -0.00 0.00 0.00 176.91 178.44 1npq h MET 82 N 0.67 0.00 -0.07 -0.10 -1.53 -1.62 -3.22 114.93 109.07 1npq h MET 82 Ca 0.42 0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.65 1npq h MET 82 Cb 0.51 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.55 1npq h MET 82 CO -0.31 0.89 -0.13 0.28 0.14 0.00 0.00 176.91 177.78 1npq h VAL 83 N 0.00 1.13 0.00 -5.77 2.07 -0.41 0.89 116.25 114.17 1npq h VAL 83 Ca -0.01 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1npq h VAL 83 Cb 1.69 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1npq h VAL 83 CO 0.12 0.18 0.00 0.03 0.02 0.00 0.00 177.57 177.92 1npq h ARG 84 N 0.10 0.00 0.00 1.57 3.08 -1.10 -2.93 114.38 115.09 1npq h ARG 84 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1npq h ARG 84 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1npq h ARG 84 CO 0.02 0.00 -1.06 1.04 -1.07 0.00 0.00 179.97 178.90 1npq n GLN 85 N -2.86 1.71 -0.06 0.04 1.13 -0.49 -4.66 117.38 112.20 1npq n GLN 85 Ca 0.03 -0.05 -0.06 0.00 -1.94 0.00 0.00 57.00 54.98 1npq n GLN 85 Cb 0.44 -1.19 -0.05 0.00 0.11 0.00 0.00 30.24 29.55 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 0.00 -5.05 -1.09 2.86 0.77 -3.39 114.93 109.03 1npq h MET 86 Ca 0.00 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 57.00 1npq h MET 86 Cb 0.43 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.05 1npq h MET 86 CO 0.00 0.34 2.38 0.36 1.06 0.00 0.00 176.91 181.05 1npq n LYS 87 N -4.69 2.69 -1.12 1.72 2.85 -1.11 -4.70 118.16 113.80 1npq n LYS 87 Ca -0.06 -2.80 -0.23 0.00 -1.05 0.00 0.00 58.31 54.17 1npq n LYS 87 Cb 0.21 -3.40 0.14 0.00 -0.65 0.00 0.00 35.03 31.33 1npq n LYS 87 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1npq n GLU 88 N 7.48 2.20 0.00 -1.58 2.13 -1.26 -4.53 120.64 125.07 1npq n GLU 88 Ca 0.50 -2.73 0.00 0.00 0.66 0.00 0.00 57.16 55.59 1npq n GLU 88 Cb 0.43 -2.07 0.00 0.00 0.27 0.00 0.00 31.44 30.07 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 0.00 0.00 4.31 2.03 -1.26 -5.21 116.55 115.53 1npq n ASP 89 Ca 0.54 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.85 1npq n ASP 89 Cb 1.35 0.04 0.00 0.00 -0.72 0.00 0.00 41.12 41.79 1npq n ASP 89 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28