#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 6.39 0.22 0.00 1.04 -1.26 -4.99 113.70 115.11 1npq s SER 2 Ca 0.00 0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.83 1npq s SER 2 Cb 0.00 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 64.11 1npq s SER 2 CO 0.00 -0.03 0.00 0.23 0.98 0.00 0.00 173.24 174.42 1npq n MET 3 N -0.61 0.00 -3.64 4.02 2.00 -1.26 -5.12 117.12 112.51 1npq n MET 3 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.55 1npq n MET 3 Cb 0.54 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 33.65 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 -1.51 -0.56 -2.58 2.03 -1.32 -1.26 -5.01 115.64 105.43 1npq s THR 4 Ca 0.00 0.19 0.24 0.00 -1.21 0.00 0.00 61.69 60.91 1npq s THR 4 Cb 0.00 -0.59 0.40 0.00 -1.51 0.00 0.00 72.50 70.79 1npq s THR 4 CO 0.00 0.07 1.48 0.47 -2.21 0.00 0.00 174.62 174.43 1npq n ASP 5 N 5.37 2.45 -0.33 8.08 9.92 -1.26 -4.38 116.55 136.41 1npq n ASP 5 Ca -0.07 -1.81 0.17 0.00 -0.53 0.00 0.00 54.79 52.55 1npq n ASP 5 Cb 0.50 -0.09 0.41 0.00 -0.64 0.00 0.00 41.12 41.30 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 3.51 0.57 0.00 -1.24 3.07 -2.00 0.88 115.11 119.91 1npq h GLN 6 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.71 1npq h GLN 6 Cb 0.76 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 28.19 1npq h GLN 6 CO 0.00 0.37 0.00 1.96 0.09 0.00 0.00 178.83 181.25 1npq h GLN 7 N 0.58 0.00 0.00 0.06 7.50 -1.90 -1.65 115.11 119.71 1npq h GLN 7 Ca 0.58 0.00 -0.23 0.00 0.50 0.00 0.00 58.65 59.50 1npq h GLN 7 Cb 1.16 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.66 1npq h GLN 7 CO -0.35 0.00 -1.27 0.00 -1.50 0.00 0.00 178.83 175.70 1npq n ALA 8 N -1.93 0.78 -0.26 3.87 0.00 0.30 -4.19 120.51 119.09 1npq n ALA 8 Ca -0.01 -0.51 -0.03 0.00 0.00 0.00 0.00 53.44 52.90 1npq n ALA 8 Cb 0.15 -0.50 0.09 0.00 0.00 0.00 0.00 19.45 19.19 1npq n ALA 8 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1npq h GLU 9 N -1.00 0.84 -0.76 0.00 5.08 -1.22 -2.90 114.58 114.62 1npq h GLU 9 Ca -0.35 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.06 1npq h GLU 9 Cb 1.27 -0.19 -0.12 0.00 0.50 0.00 0.00 28.75 30.22 1npq h GLU 9 CO -0.21 0.56 -0.50 0.00 -1.00 0.00 0.00 179.01 177.86 1npq h ALA 10 N 1.32 -0.39 -0.67 3.43 0.00 -1.49 1.28 119.26 122.75 1npq h ALA 10 Ca 0.30 0.13 0.19 0.00 0.00 0.00 0.00 54.91 55.53 1npq h ALA 10 Cb 0.05 1.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1npq h ALA 10 CO -0.12 -0.87 0.51 0.00 0.00 0.00 0.00 179.25 178.76 1npq h ARG 11 N -0.14 0.00 0.00 0.00 3.08 -1.68 0.37 114.38 116.01 1npq h ARG 11 Ca 0.19 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.18 1npq h ARG 11 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1npq h ARG 11 CO -0.81 0.00 -1.18 0.00 -1.07 0.00 0.00 179.97 176.91 1npq n ALA 12 N -2.62 2.32 0.28 0.04 0.00 0.30 -3.88 120.51 116.95 1npq n ALA 12 Ca 0.13 -0.35 0.17 0.00 0.00 0.00 0.00 53.44 53.39 1npq n ALA 12 Cb 0.76 -1.04 0.68 0.00 0.00 0.00 0.00 19.45 19.85 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 -2.00 0.00 0.04 0.55 -3.44 116.94 112.09 1npq h PHE 13 Ca -0.06 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.13 1npq h PHE 13 Cb 1.21 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 39.25 1npq h PHE 13 CO 0.00 0.00 -0.64 -0.51 -0.60 0.00 0.00 178.31 176.56 1npq s LEU 14 N -6.10 2.95 0.68 1.54 1.43 -1.01 -5.07 118.68 113.10 1npq s LEU 14 Ca 0.01 -0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 52.05 1npq s LEU 14 Cb 0.09 -1.36 0.00 0.00 0.03 0.00 0.00 46.19 44.96 1npq s LEU 14 CO 0.54 -0.17 1.06 -0.55 0.23 0.00 0.00 176.35 177.46 1npq s SER 15 N -3.68 5.62 0.57 2.29 0.15 -1.26 -4.89 113.70 112.49 1npq s SER 15 Ca 0.34 1.15 0.31 0.00 0.70 0.00 0.00 55.95 58.44 1npq s SER 15 Cb -0.01 -2.01 1.45 0.00 -1.71 0.00 0.00 66.02 63.73 1npq s SER 15 CO 0.19 -1.22 1.82 -0.33 1.20 0.00 0.00 173.24 174.90 1npq h GLU 16 N -0.54 0.00 0.79 5.44 3.07 -1.98 -0.39 114.58 120.97 1npq h GLU 16 Ca -0.45 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.37 1npq h GLU 16 Cb 1.24 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.16 1npq h GLU 16 CO 0.63 0.00 -0.38 0.93 -1.40 0.00 0.00 179.01 178.79 1npq h GLU 17 N 0.00 -1.03 -0.03 2.33 3.07 -1.99 0.18 114.58 117.12 1npq h GLU 17 Ca 0.37 0.07 0.01 0.00 -0.50 0.00 0.00 59.36 59.30 1npq h GLU 17 Cb 1.70 0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 29.84 1npq h GLU 17 CO -0.00 -0.67 0.09 1.98 -1.40 0.00 0.00 179.01 179.00 1npq h MET 18 N -1.16 0.00 0.00 2.33 4.05 -1.44 -1.52 114.93 117.19 1npq h MET 18 Ca -0.11 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 1npq h MET 18 Cb 0.83 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.63 1npq h MET 18 CO 0.18 0.00 -0.06 0.82 0.23 0.00 0.00 176.91 178.08 1npq h ILE 19 N 0.00 0.00 -0.69 1.77 2.04 -1.01 -1.61 117.51 118.00 1npq h ILE 19 Ca 0.01 -0.59 0.20 0.00 1.00 0.00 0.00 64.86 65.49 1npq h ILE 19 Cb 0.18 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.24 1npq h ILE 19 CO -0.00 0.00 0.70 0.00 0.00 0.00 0.00 178.15 178.85 1npq h ALA 20 N -1.41 2.49 0.02 1.87 0.00 -0.51 1.01 119.26 122.72 1npq h ALA 20 Ca 0.00 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 1npq h ALA 20 Cb 0.06 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1npq h ALA 20 CO 0.00 -1.06 -1.56 0.93 0.00 0.00 0.00 179.25 177.56 1npq h GLU 21 N 0.00 0.03 -0.49 0.00 5.08 -1.40 -3.30 114.58 114.50 1npq h GLU 21 Ca 0.33 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1npq h GLU 21 Cb 1.72 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.97 1npq h GLU 21 CO -0.00 0.68 0.26 0.35 -1.00 0.00 0.00 179.01 179.30 1npq h PHE 22 N 0.01 0.66 0.00 4.33 3.04 0.21 0.49 116.94 125.68 1npq h PHE 22 Ca -0.23 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.71 1npq h PHE 22 Cb 1.96 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 40.26 1npq h PHE 22 CO 0.01 0.48 0.00 1.17 -2.02 0.00 0.00 178.31 177.94 1npq n LYS 23 N -4.40 0.08 0.00 1.11 3.00 -0.69 -3.85 118.16 113.41 1npq n LYS 23 Ca 0.04 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 1npq n LYS 23 Cb 0.11 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.64 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 -1.46 -0.23 1.87 3.14 0.00 0.16 -2.62 120.51 121.37 1npq n ALA 24 Ca 0.08 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.67 1npq n ALA 24 Cb 0.30 0.18 0.90 0.00 0.00 0.00 0.00 19.45 20.83 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 -2.03 2.63 0.11 0.00 0.00 -1.26 -3.87 120.51 116.10 1npq n ALA 25 Ca 0.00 -0.19 0.20 0.00 0.00 0.00 0.00 53.44 53.45 1npq n ALA 25 Cb 0.00 -1.50 0.75 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.61 0.19 116.94 118.56 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 0.05 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.56 1npq h PHE 26 CO 0.00 0.00 -0.05 -0.44 -2.02 0.00 0.00 178.31 175.80 1npq h ASP 27 N 0.00 0.00 -0.41 0.41 3.32 -1.73 -3.33 116.42 114.68 1npq h ASP 27 Ca 0.18 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.34 1npq h ASP 27 Cb 1.06 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 1npq h ASP 27 CO -0.00 0.23 0.40 0.24 -1.72 0.00 0.00 179.24 178.39 1npq h MET 28 N -0.40 0.00 0.00 3.56 2.86 -1.77 -2.85 114.93 116.32 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 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 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 -3.84 0.00 -1.67 -0.22 3.72 0.64 -4.53 117.46 111.56 1npq n PHE 29 Ca 0.07 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 57.01 1npq n PHE 29 Cb 0.58 -0.48 -0.04 0.00 -0.94 0.00 0.00 39.48 38.60 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 -2.14 3.73 -0.09 4.37 8.00 -1.08 -4.85 116.55 124.49 1npq n ASP 30 Ca 0.00 0.91 -0.18 0.00 0.71 0.00 0.00 54.79 56.23 1npq n ASP 30 Cb 0.00 -1.44 -0.10 0.00 -0.02 0.00 0.00 41.12 39.56 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 10.03 0.19 0.00 2.24 0.00 -1.85 -3.38 119.26 126.49 1npq h ALA 31 Ca -0.49 -1.00 -0.13 0.00 0.00 0.00 0.00 54.91 53.30 1npq h ALA 31 Cb 1.26 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 19.63 1npq h ALA 31 CO 0.95 0.57 -0.68 0.38 0.00 0.00 0.00 179.25 180.46 1npq h ASP 32 N -1.00 0.00 -0.64 0.00 2.03 -1.95 -3.48 116.42 111.37 1npq h ASP 32 Ca -0.25 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.05 1npq h ASP 32 Cb 1.13 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.63 1npq h ASP 32 CO -0.15 0.59 0.00 0.61 -1.03 0.00 0.00 179.24 179.26 1npq n GLY 33 N 1.26 0.95 0.00 7.15 0.00 -1.26 -4.93 105.19 108.36 1npq n GLY 33 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.45 0.00 0.52 -0.02 0.00 -1.26 -5.03 105.19 98.95 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 0.72 4.44 -0.02 0.00 -1.26 -5.15 105.19 103.92 1npq n GLY 35 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.08 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 0.01 -5.77 -4.69 1.61 8.00 -1.26 -4.72 116.55 109.73 1npq n ASP 36 Ca -0.00 0.56 -0.35 0.00 0.71 0.00 0.00 54.79 55.71 1npq n ASP 36 Cb 0.62 -1.61 -0.09 0.00 -0.02 0.00 0.00 41.12 40.03 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 -0.88 5.17 0.00 0.53 1.01 -0.99 -4.78 121.20 121.26 1npq s ILE 37 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.75 1npq s ILE 37 Cb 0.00 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 39.12 1npq s ILE 37 CO 0.00 0.45 0.00 -0.24 0.00 0.00 0.00 174.94 175.15 1npq n SER 38 N 3.53 1.17 0.23 3.58 2.88 -1.26 0.49 113.62 124.24 1npq n SER 38 Ca -0.16 -0.41 0.11 0.00 -1.33 0.00 0.00 58.87 57.07 1npq n SER 38 Cb 0.52 0.00 0.52 0.00 -0.75 0.00 0.00 64.21 64.50 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 0.24 0.53 0.13 2.46 1.35 -1.91 -3.08 112.91 112.62 1npq h THR 39 Ca 0.00 -0.99 -0.33 0.00 -0.55 0.00 0.00 66.41 64.53 1npq h THR 39 Cb 0.00 1.68 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 1npq h THR 39 CO 0.00 0.19 -1.73 0.50 -0.25 0.00 0.00 175.52 174.23 1npq h LYS 40 N 0.00 0.28 0.00 4.72 3.11 -1.96 -3.32 116.57 119.40 1npq h LYS 40 Ca -0.00 -0.47 0.00 0.00 -2.81 0.00 0.00 60.65 57.36 1npq h LYS 40 Cb 0.66 0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.07 1npq h LYS 40 CO 0.03 1.15 0.00 0.93 -2.81 0.00 0.00 179.45 178.74 1npq h GLU 41 N 0.08 0.00 0.00 1.90 5.08 -1.87 -3.11 114.58 116.66 1npq h GLU 41 Ca -0.32 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 1npq h GLU 41 Cb 2.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.30 1npq h GLU 41 CO 0.14 0.00 -0.09 1.25 -1.00 0.00 0.00 179.01 179.31 1npq h LEU 42 N 0.00 0.00 -1.77 1.33 7.12 -1.64 -3.33 115.31 117.02 1npq h LEU 42 Ca 0.00 -0.25 0.23 0.00 0.13 0.00 0.00 57.88 57.99 1npq h LEU 42 Cb 0.20 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.30 1npq h LEU 42 CO 0.00 0.67 0.75 1.23 -0.13 0.00 0.00 178.44 180.96 1npq h GLY 43 N -1.00 0.00 0.00 3.75 0.00 -1.64 -0.88 103.07 103.31 1npq h GLY 43 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1npq h GLY 43 CO -0.01 0.00 0.00 2.41 0.00 0.00 0.00 176.54 178.94 1npq n THR 44 N -3.73 0.00 0.09 4.70 -1.04 -1.19 -0.74 114.28 112.37 1npq n THR 44 Ca 0.16 1.02 0.05 0.00 -2.04 0.00 0.00 64.05 63.24 1npq n THR 44 Cb 1.02 -1.98 0.50 0.00 -1.82 0.00 0.00 70.33 68.04 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 1.07 -0.10 12.58 3.04 -1.67 -1.86 116.25 129.31 1npq h VAL 45 Ca 0.00 -0.13 -0.10 0.00 -1.01 0.00 0.00 66.70 65.46 1npq h VAL 45 Cb 0.00 0.67 -0.01 0.00 -2.01 0.00 0.00 31.29 29.94 1npq h VAL 45 CO 0.00 0.07 -0.39 0.24 -1.01 0.00 0.00 177.57 176.48 1npq h MET 46 N 0.37 0.21 0.00 4.17 2.07 -1.22 -2.14 114.93 118.38 1npq h MET 46 Ca 0.10 -0.09 -0.20 0.00 -2.07 0.00 0.00 59.70 57.43 1npq h MET 46 Cb -0.04 -0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 29.65 1npq h MET 46 CO -0.02 0.57 -1.10 0.00 1.07 0.00 0.00 176.91 177.43 1npq h ARG 47 N 0.18 0.00 -0.53 1.72 3.08 -0.21 0.42 114.38 119.03 1npq h ARG 47 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1npq h ARG 47 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1npq h ARG 47 CO 0.06 0.71 0.00 0.00 -1.07 0.00 0.00 179.97 179.67 1npq n MET 48 N -3.21 2.27 -0.01 0.04 0.00 -0.77 -4.24 117.12 111.21 1npq n MET 48 Ca -0.04 -1.91 -0.01 0.00 0.00 0.00 0.00 57.70 55.74 1npq n MET 48 Cb 0.91 -1.43 -0.01 0.00 0.00 0.00 0.00 33.22 32.70 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 2.73 0.00 3.17 4.77 -0.82 -5.03 117.00 122.85 1npq n LEU 49 Ca 0.18 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1npq n LEU 49 Cb 0.46 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1npq n LEU 49 CO 0.12 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1npq n GLY 50 N 3.37 1.47 3.71 -0.72 0.00 -1.11 -5.10 105.19 106.80 1npq n GLY 50 Ca -0.03 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 1.29 -0.32 1.61 2.00 0.12 -4.95 119.66 119.42 1npq s GLN 51 Ca 0.00 1.00 0.18 0.00 -2.00 0.00 0.00 55.36 54.53 1npq s GLN 51 Cb 0.00 -1.80 0.46 0.00 0.80 0.00 0.00 33.01 32.47 1npq s GLN 51 CO 0.00 -2.27 1.09 -1.71 -0.50 0.00 0.00 175.29 171.91 1npq n ASN 52 N -3.92 0.80 -4.59 6.67 5.15 -1.26 -3.58 115.26 114.53 1npq n ASN 52 Ca 0.08 -2.46 -0.42 0.00 -0.60 0.00 0.00 54.58 51.17 1npq n ASN 52 Cb 0.54 -0.21 -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 -2.61 3.51 1.45 1.20 0.04 -1.26 -5.01 135.00 132.32 1npq s PRO 53 Ca 0.25 0.55 -0.23 0.00 0.04 0.00 0.00 61.00 61.61 1npq s PRO 53 Cb 0.41 -4.03 0.38 0.00 0.04 0.00 0.00 34.50 31.30 1npq s PRO 53 CO -0.01 -1.67 0.91 -0.08 0.04 0.00 0.00 177.00 176.19 1npq s THR 54 N 5.31 1.14 0.46 1.26 -1.32 -1.26 -4.49 115.64 116.74 1npq s THR 54 Ca 0.52 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 61.16 1npq s THR 54 Cb -0.10 -2.03 0.33 0.00 -1.51 0.00 0.00 72.50 69.20 1npq s THR 54 CO 0.29 0.00 2.00 0.11 -2.21 0.00 0.00 174.62 174.81 1npq h LYS 55 N -3.54 0.29 -0.08 7.08 1.57 -1.95 -1.61 116.57 118.33 1npq h LYS 55 Ca -0.43 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.20 1npq h LYS 55 Cb 1.35 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.60 1npq h LYS 55 CO 0.27 0.19 -0.48 0.00 -0.57 0.00 0.00 179.45 178.87 1npq h GLU 57 N 0.02 0.47 0.00 0.00 4.39 -1.62 -1.17 114.58 116.67 1npq h GLU 57 Ca -0.04 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 1npq h GLU 57 Cb 1.13 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 1npq h GLU 57 CO 0.10 0.31 -0.25 -0.07 -1.16 0.00 0.00 179.01 177.94 1npq h LEU 58 N 0.48 0.00 -0.89 1.33 3.38 -1.41 -3.18 115.31 115.03 1npq h LEU 58 Ca 0.23 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 1npq h LEU 58 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1npq h LEU 58 CO -0.17 0.25 -0.47 0.44 0.09 0.00 0.00 178.44 178.57 1npq h ASP 59 N 0.00 0.00 0.73 -0.43 3.32 -0.06 -0.98 116.42 119.00 1npq h ASP 59 Ca -0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 1npq h ASP 59 Cb 1.13 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 1npq h ASP 59 CO 0.03 0.47 -0.90 0.00 -1.72 0.00 0.00 179.24 177.13 1npq h ALA 60 N 1.53 0.51 0.00 3.45 0.00 -1.24 -2.98 119.26 120.53 1npq h ALA 60 Ca -0.00 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.14 1npq h ALA 60 Cb 0.96 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1npq h ALA 60 CO 0.06 1.01 -0.02 0.82 0.00 0.00 0.00 179.25 181.12 1npq h ILE 61 N 0.05 0.06 -0.81 0.00 5.03 -1.57 -3.30 117.51 116.97 1npq h ILE 61 Ca -0.03 -1.05 0.19 0.00 -0.12 0.00 0.00 64.86 63.85 1npq h ILE 61 Cb 1.56 0.11 -0.15 0.00 -3.03 0.00 0.00 36.82 35.31 1npq h ILE 61 CO 0.13 0.02 -0.03 0.40 -0.68 0.00 0.00 178.15 177.99 1npq h ILE 62 N -1.00 0.25 -0.86 -0.67 2.04 -1.33 1.04 117.51 116.98 1npq h ILE 62 Ca -0.00 -0.02 0.20 0.00 1.00 0.00 0.00 64.86 66.04 1npq h ILE 62 Cb 0.05 0.18 -0.06 0.00 -0.74 0.00 0.00 36.82 36.25 1npq h ILE 62 CO -0.00 0.01 0.58 0.00 0.00 0.00 0.00 178.15 178.74 1npq h GLU 64 N 0.34 0.13 0.05 0.00 4.39 0.82 -3.34 114.58 116.96 1npq h GLU 64 Ca 0.44 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 1npq h GLU 64 Cb 1.18 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1npq h GLU 64 CO -0.14 0.97 -0.03 0.28 -1.16 0.00 0.00 179.01 178.94 1npq h VAL 65 N 0.03 1.10 -2.27 3.13 2.07 0.31 -3.40 116.25 117.22 1npq h VAL 65 Ca -0.17 -0.50 -0.52 0.00 0.82 0.00 0.00 66.70 66.33 1npq h VAL 65 Cb 1.93 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 33.09 1npq h VAL 65 CO 0.14 0.13 1.30 -1.81 0.02 0.00 0.00 177.57 177.34 1npq s ASP 66 N -5.34 5.55 0.38 0.57 1.01 0.13 -4.83 116.67 114.14 1npq s ASP 66 Ca -0.14 0.54 0.19 0.00 0.71 0.00 0.00 52.55 53.84 1npq s ASP 66 Cb 0.04 -2.53 0.71 0.00 1.01 0.00 0.00 42.92 42.15 1npq s ASP 66 CO 0.65 -2.12 1.75 1.05 0.21 0.00 0.00 175.17 176.72 1npq h GLU 67 N 13.86 0.00 0.00 8.23 9.09 -1.86 -3.09 114.58 140.82 1npq h GLU 67 Ca -0.28 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 58.93 1npq h GLU 67 Cb 1.15 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.22 1npq h GLU 67 CO 1.17 0.37 -1.69 -0.40 0.05 0.00 0.00 179.01 178.51 1npq n ASP 68 N -3.58 0.62 -0.52 3.06 5.75 -1.26 -5.02 116.55 115.61 1npq n ASP 68 Ca -0.00 0.28 0.00 0.00 -0.01 0.00 0.00 54.79 55.06 1npq n ASP 68 Cb 0.49 0.45 0.00 0.00 -1.03 0.00 0.00 41.12 41.03 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 1.47 0.77 0.00 6.12 0.00 -1.17 -5.03 105.19 107.35 1npq n GLY 69 Ca -0.14 -0.48 0.04 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.52 2.00 0.00 1.61 3.41 -1.26 -4.99 113.62 113.86 1npq n SER 70 Ca 0.00 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 1npq n SER 70 Cb 0.20 1.18 0.00 0.00 -0.26 0.00 0.00 64.21 65.33 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 1.68 0.58 3.45 5.00 0.00 -1.26 -4.99 105.19 109.64 1npq n GLY 71 Ca -0.00 0.00 -0.33 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 -2.58 2.99 -0.41 2.61 -4.23 -1.26 -4.30 115.64 108.46 1npq s THR 72 Ca 0.00 -0.74 -0.16 0.00 -1.18 0.00 0.00 61.69 59.61 1npq s THR 72 Cb 0.00 -2.17 0.02 0.00 1.34 0.00 0.00 72.50 71.69 1npq s THR 72 CO 0.00 0.58 0.34 -0.63 -0.54 0.00 0.00 174.62 174.38 1npq s ILE 73 N -0.59 5.20 0.03 2.99 1.01 0.18 -4.79 121.20 125.24 1npq s ILE 73 Ca 0.09 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.22 1npq s ILE 73 Cb -0.11 -3.95 0.01 0.00 0.01 0.00 0.00 42.46 38.42 1npq s ILE 73 CO 0.01 -0.32 0.02 0.47 0.00 0.00 0.00 174.94 175.12 1npq n ASP 74 N 5.31 -1.80 0.00 3.58 8.00 -1.26 -2.35 116.55 128.02 1npq n ASP 74 Ca -0.10 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.26 1npq n ASP 74 Cb 0.47 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 1npq n ASP 74 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1npq n PHE 75 N -2.94 0.00 0.30 1.24 3.01 -1.26 -3.38 117.46 114.43 1npq n PHE 75 Ca 0.00 0.00 0.20 0.00 1.01 0.00 0.00 57.45 58.66 1npq n PHE 75 Cb 0.01 -0.08 0.92 0.00 -0.01 0.00 0.00 39.48 40.32 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 -0.12 -1.08 4.39 -1.94 -2.66 114.58 113.17 1npq h GLU 76 Ca 0.00 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.74 1npq h GLU 76 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1npq h GLU 76 CO 0.00 0.01 0.24 0.93 -1.16 0.00 0.00 179.01 179.03 1npq h GLU 77 N 0.00 0.00 0.00 2.33 5.08 -1.82 0.32 114.58 120.49 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 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 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 -3.37 0.00 -0.07 4.33 7.35 -1.00 -2.12 117.46 122.59 1npq n PHE 78 Ca 0.00 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.50 1npq n PHE 78 Cb 0.34 -0.48 -0.13 0.00 0.35 0.00 0.00 39.48 39.56 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 -1.48 2.76 0.09 -2.13 4.32 0.11 -4.26 117.00 116.41 1npq n LEU 79 Ca 0.04 0.03 0.00 0.00 -0.02 0.00 0.00 56.01 56.06 1npq n LEU 79 Cb 0.18 -0.98 0.31 0.00 -1.62 0.00 0.00 43.42 41.32 1npq n LEU 79 CO 0.15 0.89 0.81 0.58 -1.22 0.00 0.00 177.39 178.60 1npq h VAL 80 N 0.03 1.22 -0.91 4.08 2.07 -1.49 -1.02 116.25 120.24 1npq h VAL 80 Ca -0.50 -1.03 0.14 0.00 0.82 0.00 0.00 66.70 66.13 1npq h VAL 80 Cb 1.97 1.31 -0.09 0.00 -1.52 0.00 0.00 31.29 32.96 1npq h VAL 80 CO -0.00 0.32 0.51 0.00 0.02 0.00 0.00 177.57 178.42 1npq h MET 81 N 0.28 0.73 0.01 1.57 -0.00 -1.60 0.25 114.93 116.16 1npq h MET 81 Ca 0.05 -0.04 -0.25 0.00 -0.00 0.00 0.00 59.70 59.45 1npq h MET 81 Cb 0.52 -0.16 -0.04 0.00 -0.00 0.00 0.00 31.60 31.91 1npq h MET 81 CO 0.03 0.48 -1.35 1.98 -0.00 0.00 0.00 176.91 178.06 1npq h MET 82 N 0.75 0.02 -0.65 -0.10 -1.53 -1.67 -3.32 114.93 108.43 1npq h MET 82 Ca 0.48 -0.04 -0.04 0.00 -3.44 0.00 0.00 59.70 56.67 1npq h MET 82 Cb 0.62 0.01 -0.03 0.00 -0.55 0.00 0.00 31.60 31.66 1npq h MET 82 CO -0.33 0.79 0.24 0.28 0.14 0.00 0.00 176.91 178.03 1npq h VAL 83 N 0.01 1.23 0.00 -5.77 2.07 0.22 0.89 116.25 114.90 1npq h VAL 83 Ca -0.15 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1npq h VAL 83 Cb 1.89 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1npq h VAL 83 CO 0.11 0.30 0.00 0.03 0.02 0.00 0.00 177.57 178.03 1npq h ARG 84 N 0.94 0.00 0.00 1.57 3.08 -0.69 -2.20 114.38 117.08 1npq h ARG 84 Ca 0.22 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.18 1npq h ARG 84 Cb 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1npq h ARG 84 CO -0.02 0.00 -1.63 1.04 -1.07 0.00 0.00 179.97 178.29 1npq n GLN 85 N -2.44 1.21 -0.02 0.04 1.13 -0.62 -4.16 117.38 112.51 1npq n GLN 85 Ca 0.02 -0.06 -0.16 0.00 -1.94 0.00 0.00 57.00 54.86 1npq n GLN 85 Cb 0.23 -1.28 -0.09 0.00 0.11 0.00 0.00 30.24 29.21 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 0.40 -0.12 -1.09 2.86 0.93 -3.25 114.93 114.66 1npq h MET 86 Ca -0.13 -0.34 -0.12 0.00 -2.06 0.00 0.00 59.70 57.04 1npq h MET 86 Cb 1.05 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.78 1npq h MET 86 CO 0.01 0.99 -0.46 0.87 1.06 0.00 0.00 176.91 179.38 1npq h LYS 87 N -0.07 0.30 -1.71 1.72 1.57 -1.63 -3.46 116.57 113.30 1npq h LYS 87 Ca -0.03 -0.16 0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1npq h LYS 87 Cb 1.08 0.01 -0.24 0.00 0.08 0.00 0.00 32.23 33.15 1npq h LYS 87 CO 0.09 0.70 0.38 -1.83 -0.57 0.00 0.00 179.45 178.21 1npq s GLU 88 N -4.07 0.62 -0.46 3.15 1.03 -1.23 -5.04 118.70 112.71 1npq s GLU 88 Ca -0.05 0.64 0.04 0.00 0.03 0.00 0.00 54.97 55.62 1npq s GLU 88 Cb 0.13 0.30 0.64 0.00 -0.80 0.00 0.00 34.13 34.40 1npq s GLU 88 CO 0.79 -0.09 1.90 -0.25 -1.33 0.00 0.00 175.26 176.27 1npq n ASP 89 N 2.13 4.03 0.00 0.83 9.92 -1.25 -3.75 116.55 128.46 1npq n ASP 89 Ca -0.13 -3.64 0.00 0.00 -0.53 0.00 0.00 54.79 50.49 1npq n ASP 89 Cb 0.56 -0.84 0.00 0.00 -0.64 0.00 0.00 41.12 40.20 1npq n ASP 89 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33