#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 2.78 0.00 0.00 1.04 -1.26 -5.05 113.70 111.20 1npq s SER 2 Ca 0.00 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 54.94 1npq s SER 2 Cb 0.00 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1npq s SER 2 CO 0.00 -0.72 0.00 1.15 0.98 0.00 0.00 173.24 174.65 1npq n MET 3 N -0.83 0.00 -3.19 4.02 -0.00 -1.26 -5.12 117.12 110.74 1npq n MET 3 Ca -0.05 0.00 0.05 0.00 -0.00 0.00 0.00 57.70 57.69 1npq n MET 3 Cb 0.66 0.00 -0.03 0.00 -0.00 0.00 0.00 33.22 33.86 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 -1.90 -0.23 -2.79 3.17 -1.32 -1.26 -5.03 115.64 106.28 1npq s THR 4 Ca 0.00 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.72 1npq s THR 4 Cb 0.00 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 70.28 1npq s THR 4 CO 0.00 0.00 1.32 0.47 -2.21 0.00 0.00 174.62 174.20 1npq n ASP 5 N 5.20 3.21 0.07 8.08 8.00 -1.26 -4.40 116.55 135.45 1npq n ASP 5 Ca -0.08 -2.00 0.21 0.00 0.71 0.00 0.00 54.79 53.63 1npq n ASP 5 Cb 0.54 -0.10 0.74 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 4.64 0.00 0.00 -1.24 3.07 -2.00 0.56 115.11 120.14 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 1.00 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.56 1npq h GLN 6 CO 0.00 0.00 -0.04 1.96 0.09 0.00 0.00 178.83 180.84 1npq h GLN 7 N 0.00 0.00 0.01 0.06 4.20 -1.93 -2.55 115.11 114.90 1npq h GLN 7 Ca 0.21 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.66 1npq h GLN 7 Cb 1.08 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.82 1npq h GLN 7 CO -0.00 0.04 -1.38 0.00 -0.67 0.00 0.00 178.83 176.82 1npq n ALA 8 N -2.12 0.82 -0.31 3.87 0.00 0.19 -4.27 120.51 118.69 1npq n ALA 8 Ca 0.00 -0.53 0.06 0.00 0.00 0.00 0.00 53.44 52.97 1npq n ALA 8 Cb 0.32 -0.53 0.21 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.95 0.76 -0.79 0.00 5.08 -1.47 -2.56 114.58 114.66 1npq h GLU 9 Ca -0.38 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.02 1npq h GLU 9 Cb 1.36 -0.17 -0.11 0.00 0.50 0.00 0.00 28.75 30.33 1npq h GLU 9 CO -0.21 0.50 -0.56 0.00 -1.00 0.00 0.00 179.01 177.74 1npq h ALA 10 N 1.51 -0.58 -0.56 3.43 0.00 -1.63 1.60 119.26 123.04 1npq h ALA 10 Ca 0.45 0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.61 1npq h ALA 10 Cb 0.50 1.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 1npq h ALA 10 CO -0.29 -0.97 0.45 0.00 0.00 0.00 0.00 179.25 178.44 1npq h ARG 11 N -0.14 0.00 0.00 0.00 3.08 -1.64 0.33 114.38 116.01 1npq h ARG 11 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1npq h ARG 11 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1npq h ARG 11 CO -0.82 0.00 -1.17 0.00 -1.07 0.00 0.00 179.97 176.91 1npq n ALA 12 N -2.54 2.73 0.60 0.04 0.00 0.30 -3.93 120.51 117.71 1npq n ALA 12 Ca 0.10 -0.31 0.08 0.00 0.00 0.00 0.00 53.44 53.32 1npq n ALA 12 Cb 0.68 -1.03 0.38 0.00 0.00 0.00 0.00 19.45 19.48 1npq n ALA 12 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1npq n PHE 13 N -2.46 0.00 -4.39 0.00 3.72 0.47 -4.80 117.46 110.01 1npq n PHE 13 Ca -0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 1npq n PHE 13 Cb 0.53 -0.50 -0.10 0.00 -0.94 0.00 0.00 39.48 38.47 1npq n PHE 13 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1npq s LEU 14 N -3.00 1.84 0.58 4.37 1.43 -1.15 -5.06 118.68 117.69 1npq s LEU 14 Ca 0.08 -1.46 -0.08 0.00 -1.03 0.00 0.00 54.13 51.64 1npq s LEU 14 Cb 0.11 -0.07 -0.03 0.00 0.03 0.00 0.00 46.19 46.24 1npq s LEU 14 CO 0.32 -0.76 0.94 -0.44 0.23 0.00 0.00 176.35 176.63 1npq s SER 15 N -3.42 6.07 0.58 2.29 0.01 -1.26 -4.93 113.70 113.04 1npq s SER 15 Ca 0.35 1.12 0.29 0.00 1.31 0.00 0.00 55.95 59.02 1npq s SER 15 Cb 0.07 -2.23 1.46 0.00 0.21 0.00 0.00 66.02 65.53 1npq s SER 15 CO 0.15 -0.85 1.88 -0.33 0.41 0.00 0.00 173.24 174.51 1npq h GLU 16 N -0.15 0.00 0.58 12.44 4.39 -1.99 -0.93 114.58 128.93 1npq h GLU 16 Ca -0.45 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.22 1npq h GLU 16 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1npq h GLU 16 CO 0.62 0.00 -0.31 0.93 -1.16 0.00 0.00 179.01 179.09 1npq h GLU 17 N 0.00 -0.80 -0.28 2.33 4.39 -2.00 -0.99 114.58 117.24 1npq h GLU 17 Ca 0.25 0.05 0.08 0.00 0.34 0.00 0.00 59.36 60.09 1npq h GLU 17 Cb 1.29 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 30.11 1npq h GLU 17 CO -0.00 -0.53 0.30 1.98 -1.16 0.00 0.00 179.01 179.59 1npq h MET 18 N -0.83 0.00 0.21 2.33 4.05 -1.54 -2.17 114.93 116.99 1npq h MET 18 Ca -0.08 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.33 1npq h MET 18 Cb 0.65 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.45 1npq h MET 18 CO 0.11 0.00 -0.10 0.82 0.23 0.00 0.00 176.91 177.97 1npq h ILE 19 N 0.00 0.00 -0.68 1.77 2.04 -1.26 -0.39 117.51 118.99 1npq h ILE 19 Ca 0.13 -0.60 0.20 0.00 1.00 0.00 0.00 64.86 65.59 1npq h ILE 19 Cb 0.73 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1npq h ILE 19 CO -0.00 0.00 0.69 0.00 0.00 0.00 0.00 178.15 178.84 1npq h ALA 20 N -1.27 2.47 0.01 1.87 0.00 -0.85 0.95 119.26 122.45 1npq h ALA 20 Ca -0.03 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.57 1npq h ALA 20 Cb 0.22 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1npq h ALA 20 CO 0.05 -1.04 -1.63 0.93 0.00 0.00 0.00 179.25 177.56 1npq h GLU 21 N 0.00 0.02 -0.72 0.00 4.39 -1.45 -3.31 114.58 113.50 1npq h GLU 21 Ca 0.32 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 60.01 1npq h GLU 21 Cb 1.70 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 30.33 1npq h GLU 21 CO -0.00 0.59 0.48 0.74 -1.16 0.00 0.00 179.01 179.66 1npq h PHE 22 N 0.00 0.88 0.00 4.33 0.04 0.27 0.76 116.94 123.23 1npq h PHE 22 Ca -0.26 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.54 1npq h PHE 22 Cb 1.99 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 39.84 1npq h PHE 22 CO 0.00 0.54 0.00 1.17 -0.60 0.00 0.00 178.31 179.42 1npq n LYS 23 N -4.44 0.09 0.00 1.51 3.00 -0.72 -3.97 118.16 113.63 1npq n LYS 23 Ca 0.08 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 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 -1.45 -0.13 1.71 3.14 0.00 0.26 -2.20 120.51 121.85 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 0.29 0.32 0.73 0.00 0.00 0.00 0.00 19.45 20.80 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 -2.41 2.66 -0.61 0.00 0.00 -1.26 -4.25 120.51 114.64 1npq n ALA 25 Ca 0.00 -0.30 0.48 0.00 0.00 0.00 0.00 53.44 53.62 1npq n ALA 25 Cb 0.00 -1.35 0.77 0.00 0.00 0.00 0.00 19.45 18.87 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 0.99 0.16 0.07 0.00 3.57 -1.57 0.76 116.94 120.93 1npq h PHE 26 Ca 0.00 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1npq h PHE 26 Cb 0.25 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1npq h PHE 26 CO 0.00 -0.08 -0.04 0.22 -2.23 0.00 0.00 178.31 176.19 1npq h ASP 27 N 0.01 -0.08 -0.10 0.41 1.82 -1.75 -3.24 116.42 113.48 1npq h ASP 27 Ca 0.89 0.00 0.03 0.00 -0.39 0.00 0.00 57.03 57.57 1npq h ASP 27 Cb 3.37 0.02 -0.00 0.00 0.68 0.00 0.00 39.33 43.40 1npq h ASP 27 CO -0.14 0.13 0.08 0.24 -1.61 0.00 0.00 179.24 177.94 1npq h MET 28 N -0.48 0.00 0.79 0.28 2.86 -1.56 -2.90 114.93 113.93 1npq h MET 28 Ca -0.01 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1npq h MET 28 Cb 0.08 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 1npq h MET 28 CO 0.02 0.00 -0.49 0.74 1.06 0.00 0.00 176.91 178.24 1npq h PHE 29 N 0.00 -1.31 0.00 -0.22 0.04 0.37 -2.19 116.94 113.62 1npq h PHE 29 Ca 0.05 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1npq h PHE 29 Cb 0.21 0.47 0.00 0.00 2.20 0.00 0.00 35.95 38.83 1npq h PHE 29 CO 0.00 -0.73 0.00 0.22 -0.60 0.00 0.00 178.31 177.20 1npq h ASP 30 N -1.20 0.00 0.00 2.17 1.82 -1.54 -3.43 116.42 114.24 1npq h ASP 30 Ca -0.11 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.53 1npq h ASP 30 Cb 0.96 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.97 1npq h ASP 30 CO 0.10 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.73 1npq n ALA 31 N -2.01 0.00 -0.06 -0.78 0.00 -0.83 -2.23 120.51 114.61 1npq n ALA 31 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 1npq n ALA 31 Cb 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.37 1npq n ALA 31 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1npq n ASP 32 N 0.79 0.09 -0.81 0.00 5.75 -1.26 -4.93 116.55 116.19 1npq n ASP 32 Ca 0.00 0.04 -0.05 0.00 -0.01 0.00 0.00 54.79 54.77 1npq n ASP 32 Cb 0.00 1.25 0.01 0.00 -1.03 0.00 0.00 41.12 41.34 1npq n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1npq n GLY 33 N 1.54 0.33 0.13 6.12 0.00 -0.95 -4.98 105.19 107.38 1npq n GLY 33 Ca -0.21 -0.60 -0.15 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.95 -0.50 0.00 -0.02 0.00 -1.26 -5.05 105.19 97.41 1npq n GLY 34 Ca -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 1.45 0.80 1.76 -0.02 0.00 -1.26 -5.16 105.19 102.75 1npq n GLY 35 Ca -0.25 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 1.12 -4.60 1.61 8.00 -1.26 -5.00 116.55 116.42 1npq n ASP 36 Ca 0.00 -2.14 -0.43 0.00 0.71 0.00 0.00 54.79 52.94 1npq n ASP 36 Cb 0.00 0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 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 -2.34 4.51 0.00 0.53 1.01 -1.03 -4.74 121.20 119.15 1npq s ILE 37 Ca 0.11 1.21 0.00 0.00 0.00 0.00 0.00 60.65 61.96 1npq s ILE 37 Cb 0.01 -4.39 0.00 0.00 0.01 0.00 0.00 42.46 38.09 1npq s ILE 37 CO 0.07 -0.63 0.00 -0.24 0.00 0.00 0.00 174.94 174.15 1npq n SER 38 N 6.97 0.00 0.19 3.58 2.88 -1.26 -1.64 113.62 124.34 1npq n SER 38 Ca 0.08 -0.33 0.07 0.00 -1.33 0.00 0.00 58.87 57.36 1npq n SER 38 Cb 0.48 0.00 0.31 0.00 -0.75 0.00 0.00 64.21 64.25 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 -0.18 0.67 0.08 2.46 1.35 -1.97 -3.20 112.91 112.13 1npq h THR 39 Ca 0.00 -1.47 -0.33 0.00 -0.55 0.00 0.00 66.41 64.06 1npq h THR 39 Cb 0.00 1.97 -0.02 0.00 -1.73 0.00 0.00 68.15 68.37 1npq h THR 39 CO 0.00 0.31 -1.78 0.07 -0.25 0.00 0.00 175.52 173.87 1npq h LYS 40 N 0.00 0.18 0.00 4.72 5.09 -1.97 -3.31 116.57 121.28 1npq h LYS 40 Ca -0.00 -0.31 -0.00 0.00 0.09 0.00 0.00 60.65 60.43 1npq h LYS 40 Cb 0.95 0.11 -0.00 0.00 0.10 0.00 0.00 32.23 33.39 1npq h LYS 40 CO 0.04 0.96 -0.02 0.93 -2.09 0.00 0.00 179.45 179.27 1npq h GLU 41 N 0.05 0.00 0.17 0.07 5.08 -1.83 -2.54 114.58 115.59 1npq h GLU 41 Ca -0.33 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1npq h GLU 41 Cb 2.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 1npq h GLU 41 CO 0.11 0.02 -0.08 1.25 -1.00 0.00 0.00 179.01 179.31 1npq h LEU 42 N 0.00 -0.20 -1.93 1.33 7.12 -1.68 -3.31 115.31 116.64 1npq h LEU 42 Ca -0.00 0.01 0.30 0.00 0.13 0.00 0.00 57.88 58.32 1npq h LEU 42 Cb 0.05 0.05 -0.05 0.00 -0.53 0.00 0.00 40.66 40.18 1npq h LEU 42 CO 0.00 0.24 0.75 1.23 -0.13 0.00 0.00 178.44 180.53 1npq h GLY 43 N -0.99 0.13 0.00 3.75 0.00 -1.63 -1.09 103.07 103.23 1npq h GLY 43 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1npq h GLY 43 CO 0.04 -0.01 0.00 2.41 0.00 0.00 0.00 176.54 178.98 1npq n THR 44 N -4.26 0.00 0.26 4.70 -1.04 -0.96 0.11 114.28 113.08 1npq n THR 44 Ca 0.23 1.09 0.08 0.00 -2.04 0.00 0.00 64.05 63.41 1npq n THR 44 Cb 1.09 -1.95 0.65 0.00 -1.82 0.00 0.00 70.33 68.30 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 0.98 -0.05 12.58 3.04 -1.64 0.43 116.25 131.59 1npq h VAL 45 Ca 0.00 0.00 -0.21 0.00 -1.01 0.00 0.00 66.70 65.48 1npq h VAL 45 Cb 0.00 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 1npq h VAL 45 CO 0.00 0.00 -0.84 0.24 -1.01 0.00 0.00 177.57 175.96 1npq h MET 46 N 0.00 0.47 0.00 4.17 2.07 -1.15 -2.84 114.93 117.65 1npq h MET 46 Ca 0.00 -0.44 -0.12 0.00 -2.07 0.00 0.00 59.70 57.08 1npq h MET 46 Cb 0.01 0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 29.83 1npq h MET 46 CO -0.00 1.08 -0.83 0.00 1.07 0.00 0.00 176.91 178.23 1npq h ARG 47 N 0.30 0.00 -0.51 1.72 3.08 0.14 0.14 114.38 119.24 1npq h ARG 47 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1npq h ARG 47 Cb 1.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.50 1npq h ARG 47 CO 0.15 0.38 0.00 0.00 -1.07 0.00 0.00 179.97 179.43 1npq n MET 48 N -3.07 2.19 0.00 0.04 0.00 0.09 -4.27 117.12 112.09 1npq n MET 48 Ca -0.02 -1.83 0.00 0.00 0.00 0.00 0.00 57.70 55.85 1npq n MET 48 Cb 0.75 -1.40 0.00 0.00 0.00 0.00 0.00 33.22 32.57 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 0.99 1.93 0.00 3.17 4.77 -1.07 -5.01 117.00 121.77 1npq n LEU 49 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1npq n LEU 49 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1npq n LEU 49 CO 0.12 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1npq n GLY 50 N 3.21 1.00 3.75 -0.72 0.00 -1.11 -5.11 105.19 106.21 1npq n GLY 50 Ca 0.00 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 2.20 -0.36 1.61 2.00 0.46 -4.94 119.66 120.62 1npq s GLN 51 Ca 0.00 1.32 0.13 0.00 -2.00 0.00 0.00 55.36 54.81 1npq s GLN 51 Cb 0.00 -1.88 0.39 0.00 0.80 0.00 0.00 33.01 32.32 1npq s GLN 51 CO 0.00 -1.70 0.91 0.27 -0.50 0.00 0.00 175.29 174.27 1npq n ASN 52 N -3.31 0.44 -4.59 6.67 6.94 -1.26 -3.28 115.26 116.88 1npq n ASN 52 Ca 0.10 -2.93 -0.42 0.00 -0.02 0.00 0.00 54.58 51.31 1npq n ASN 52 Cb 0.52 -0.15 -0.03 0.00 -2.36 0.00 0.00 39.78 37.77 1npq n ASN 52 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1npq s PRO 53 N -2.13 3.18 1.09 -0.53 0.04 -1.26 -4.98 135.00 130.41 1npq s PRO 53 Ca 0.32 1.31 -0.17 0.00 0.04 0.00 0.00 61.00 62.49 1npq s PRO 53 Cb 0.39 -4.24 0.27 0.00 0.04 0.00 0.00 34.50 30.96 1npq s PRO 53 CO -0.03 -2.04 0.61 0.25 0.04 0.00 0.00 177.00 175.83 1npq n THR 54 N 7.41 0.00 0.18 1.26 -2.24 -1.26 -4.33 114.28 115.30 1npq n THR 54 Ca 0.23 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.86 1npq n THR 54 Cb 0.48 -0.70 -0.07 0.00 -2.10 0.00 0.00 70.33 67.94 1npq n THR 54 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1npq h LYS 55 N 0.00 -0.68 -0.14 -0.78 1.79 -1.99 -1.36 116.57 113.42 1npq h LYS 55 Ca -0.28 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 1npq h LYS 55 Cb 0.94 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.74 1npq h LYS 55 CO 0.17 -0.45 0.09 0.00 -1.08 0.00 0.00 179.45 178.18 1npq h GLU 57 N 0.17 -0.66 -0.84 0.00 4.22 -1.57 0.57 114.58 116.48 1npq h GLU 57 Ca 0.05 0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.52 1npq h GLU 57 Cb 0.00 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1npq h GLU 57 CO -0.01 -0.44 0.47 -0.07 -2.18 0.00 0.00 179.01 176.78 1npq h LEU 58 N -0.68 1.04 -1.82 1.64 3.38 -1.20 -1.32 115.31 116.36 1npq h LEU 58 Ca -0.07 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1npq h LEU 58 Cb 0.53 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1npq h LEU 58 CO 0.10 0.83 -0.12 -0.78 0.09 0.00 0.00 178.44 178.55 1npq h ASP 59 N 1.16 0.00 0.88 -0.43 3.58 -0.93 0.30 116.42 120.98 1npq h ASP 59 Ca 0.30 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.54 1npq h ASP 59 Cb 0.01 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 1npq h ASP 59 CO -0.05 0.12 -0.96 0.00 -2.88 0.00 0.00 179.24 175.47 1npq h ALA 60 N 1.88 0.42 0.00 -0.78 0.00 0.13 -3.06 119.26 117.85 1npq h ALA 60 Ca -0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 54.91 54.05 1npq h ALA 60 Cb 0.39 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1npq h ALA 60 CO 0.02 1.13 -0.17 0.82 0.00 0.00 0.00 179.25 181.04 1npq h ILE 61 N 0.02 0.23 -0.94 0.00 5.03 -0.80 -3.29 117.51 117.76 1npq h ILE 61 Ca -0.02 -1.19 0.28 0.00 -0.12 0.00 0.00 64.86 63.80 1npq h ILE 61 Cb 1.68 0.45 -0.15 0.00 -3.03 0.00 0.00 36.82 35.78 1npq h ILE 61 CO 0.13 0.08 0.39 0.40 -0.68 0.00 0.00 178.15 178.46 1npq h ILE 62 N -1.00 0.29 -0.81 -0.67 2.04 -1.12 1.12 117.51 117.36 1npq h ILE 62 Ca -0.01 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 65.80 1npq h ILE 62 Cb 0.28 0.02 -0.05 0.00 -0.74 0.00 0.00 36.82 36.33 1npq h ILE 62 CO -0.01 0.05 0.53 0.00 0.00 0.00 0.00 178.15 178.72 1npq h GLU 64 N 0.97 0.15 -0.24 0.00 4.39 0.79 -3.34 114.58 117.30 1npq h GLU 64 Ca 0.33 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.72 1npq h GLU 64 Cb 0.10 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1npq h GLU 64 CO -0.10 1.01 -0.08 0.28 -1.16 0.00 0.00 179.01 178.96 1npq h VAL 65 N 0.04 1.29 -3.24 3.13 2.07 0.15 -3.43 116.25 116.26 1npq h VAL 65 Ca -0.17 -1.11 -0.55 0.00 0.82 0.00 0.00 66.70 65.70 1npq h VAL 65 Cb 1.94 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 33.21 1npq h VAL 65 CO 0.15 0.34 0.55 -1.81 0.02 0.00 0.00 177.57 176.82 1npq s ASP 66 N -6.10 7.20 -0.21 0.57 1.11 0.24 -4.82 116.67 114.66 1npq s ASP 66 Ca -0.14 1.71 0.13 0.00 0.18 0.00 0.00 52.55 54.44 1npq s ASP 66 Cb 0.07 -2.56 0.42 0.00 1.07 0.00 0.00 42.92 41.92 1npq s ASP 66 CO 0.76 -0.44 1.28 -0.62 1.18 0.00 0.00 175.17 177.34 1npq n GLU 67 N 4.60 1.70 -0.66 8.23 -0.58 -1.26 -4.56 120.64 128.11 1npq n GLU 67 Ca 0.09 -3.08 -0.00 0.00 -0.42 0.00 0.00 57.16 53.74 1npq n GLU 67 Cb 0.48 -1.66 -0.00 0.00 -0.57 0.00 0.00 31.44 29.69 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 -1.14 0.01 -3.78 1.62 5.75 -1.26 -5.02 116.55 112.73 1npq n ASP 68 Ca 0.22 -1.62 -0.23 0.00 -0.01 0.00 0.00 54.79 53.16 1npq n ASP 68 Cb 0.78 -0.09 0.02 0.00 -1.03 0.00 0.00 41.12 40.80 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 0.05 -0.27 0.04 6.12 0.00 -1.26 -4.89 105.19 104.98 1npq n GLY 69 Ca -0.02 0.13 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.04 2.64 0.00 1.61 3.41 -1.26 -5.00 113.62 111.98 1npq n SER 70 Ca -0.30 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 1npq n SER 70 Cb 0.68 0.92 0.00 0.00 -0.26 0.00 0.00 64.21 65.56 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 2.28 0.31 3.51 5.00 0.00 -1.26 -4.99 105.19 110.04 1npq n GLY 71 Ca -0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.65 2.01 -0.19 2.61 -4.23 -1.26 -4.37 115.64 108.57 1npq s THR 72 Ca 0.00 -2.17 -0.01 0.00 -1.18 0.00 0.00 61.69 58.34 1npq s THR 72 Cb 0.00 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.24 1npq s THR 72 CO 0.00 -0.22 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.10 1npq s ILE 73 N -2.76 2.72 0.00 2.99 1.01 -0.65 -4.61 121.20 119.90 1npq s ILE 73 Ca 0.32 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1npq s ILE 73 Cb 0.03 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.32 1npq s ILE 73 CO 0.15 0.49 0.00 -0.67 0.00 0.00 0.00 174.94 174.91 1npq n ASP 74 N 4.48 -0.53 0.00 3.58 2.03 -1.26 -2.48 116.55 122.38 1npq n ASP 74 Ca -0.19 -0.52 0.00 0.00 0.52 0.00 0.00 54.79 54.60 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 -1.91 0.00 0.31 -0.67 3.01 -1.26 -3.35 117.46 113.60 1npq n PHE 75 Ca 0.00 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.64 1npq n PHE 75 Cb 0.00 0.00 1.03 0.00 -0.01 0.00 0.00 39.48 40.50 1npq n PHE 75 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 1npq h GLU 76 N 0.00 0.00 -0.33 -1.08 9.09 -1.96 -1.61 114.58 118.70 1npq h GLU 76 Ca 0.00 0.00 0.10 0.00 0.05 0.00 0.00 59.36 59.51 1npq h GLU 76 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 1npq h GLU 76 CO 0.00 0.00 0.36 0.93 0.05 0.00 0.00 179.01 180.35 1npq h GLU 77 N 0.00 0.00 0.00 1.06 5.08 -1.83 0.35 114.58 119.24 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 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1npq h GLU 77 CO -0.00 0.00 0.00 0.35 -1.00 0.00 0.00 179.01 178.36 1npq h PHE 78 N 0.00 0.00 0.05 4.33 3.57 -1.29 0.19 116.94 123.79 1npq h PHE 78 Ca 0.16 0.00 -0.37 0.00 3.53 0.00 0.00 57.97 61.28 1npq h PHE 78 Cb 0.88 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.57 1npq h PHE 78 CO 0.00 0.00 -2.23 1.28 -2.23 0.00 0.00 178.31 175.13 1npq n LEU 79 N -2.29 2.50 -0.07 0.59 4.32 0.12 -4.26 117.00 117.91 1npq n LEU 79 Ca -0.00 0.05 -0.04 0.00 -0.02 0.00 0.00 56.01 56.00 1npq n LEU 79 Cb 0.12 -0.83 0.19 0.00 -1.62 0.00 0.00 43.42 41.28 1npq n LEU 79 CO 0.14 0.84 0.85 0.58 -1.22 0.00 0.00 177.39 178.59 1npq h VAL 80 N 0.03 1.24 -1.00 4.08 2.07 -1.29 -0.35 116.25 121.02 1npq h VAL 80 Ca -0.49 -1.03 0.23 0.00 0.82 0.00 0.00 66.70 66.23 1npq h VAL 80 Cb 1.99 0.99 -0.12 0.00 -1.52 0.00 0.00 31.29 32.63 1npq h VAL 80 CO 0.00 0.35 0.59 0.00 0.02 0.00 0.00 177.57 178.53 1npq h MET 81 N 0.64 0.59 0.07 1.57 -0.00 -1.16 0.36 114.93 117.00 1npq h MET 81 Ca 0.12 -0.04 -0.31 0.00 -0.00 0.00 0.00 59.70 59.48 1npq h MET 81 Cb 0.48 -0.13 -0.03 0.00 -0.00 0.00 0.00 31.60 31.92 1npq h MET 81 CO 0.03 0.39 -1.65 1.98 -0.00 0.00 0.00 176.91 177.66 1npq h MET 82 N 0.61 0.14 -0.45 -0.10 -1.53 -1.67 -3.34 114.93 108.60 1npq h MET 82 Ca 0.63 -0.25 0.02 0.00 -3.44 0.00 0.00 59.70 56.66 1npq h MET 82 Cb 1.15 0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 32.27 1npq h MET 82 CO -0.46 0.90 0.30 0.28 0.14 0.00 0.00 176.91 178.07 1npq h VAL 83 N 0.04 1.08 0.00 -5.77 2.07 0.85 0.96 116.25 115.47 1npq h VAL 83 Ca -0.28 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1npq h VAL 83 Cb 2.00 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1npq h VAL 83 CO 0.11 0.10 0.00 0.03 0.02 0.00 0.00 177.57 177.83 1npq h ARG 84 N 0.55 0.00 0.00 1.57 3.08 -0.51 -2.21 114.38 116.85 1npq h ARG 84 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1npq h ARG 84 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1npq h ARG 84 CO -0.04 0.00 -0.90 1.04 -1.07 0.00 0.00 179.97 179.00 1npq n GLN 85 N -2.81 2.18 0.04 0.04 1.13 0.06 -4.57 117.38 113.46 1npq n GLN 85 Ca 0.02 -0.04 -0.22 0.00 -1.94 0.00 0.00 57.00 54.82 1npq n GLN 85 Cb 0.34 -1.13 -0.14 0.00 0.11 0.00 0.00 30.24 29.42 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 0.34 -4.32 -1.09 2.86 0.97 -3.40 114.93 110.30 1npq h MET 86 Ca 0.00 -0.58 -0.58 0.00 -2.06 0.00 0.00 59.70 56.48 1npq h MET 86 Cb 0.37 0.22 0.05 0.00 0.06 0.00 0.00 31.60 32.30 1npq h MET 86 CO 0.00 1.28 2.23 1.63 1.06 0.00 0.00 176.91 183.11 1npq n LYS 87 N -3.61 1.43 -3.59 1.72 5.02 -0.84 -4.72 118.16 113.56 1npq n LYS 87 Ca -0.27 -1.66 -0.29 0.00 -2.02 0.00 0.00 58.31 54.07 1npq n LYS 87 Cb 1.04 -2.77 -0.14 0.00 -0.02 0.00 0.00 35.03 33.14 1npq n LYS 87 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1npq s GLU 88 N 4.88 0.52 0.98 1.97 2.02 -1.26 -5.02 118.70 122.79 1npq s GLU 88 Ca 0.53 -1.00 -0.12 0.00 0.02 0.00 0.00 54.97 54.40 1npq s GLU 88 Cb 0.13 -1.54 0.17 0.00 0.10 0.00 0.00 34.13 33.00 1npq s GLU 88 CO 0.11 -1.07 1.09 0.34 0.02 0.00 0.00 175.26 175.75 1npq s ASP 89 N 1.57 2.77 0.00 -0.19 2.15 -1.26 -5.20 116.67 116.51 1npq s ASP 89 Ca 0.12 1.37 0.10 0.00 0.43 0.00 0.00 52.55 54.57 1npq s ASP 89 Cb -0.19 -2.05 0.60 0.00 -0.30 0.00 0.00 42.92 40.99 1npq s ASP 89 CO -0.22 -3.06 1.04 0.00 -0.17 0.00 0.00 175.17 172.76