#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 2.69 0.15 0.00 0.15 -1.26 -5.02 113.70 110.41 1npq s SER 2 Ca 0.00 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.17 1npq s SER 2 Cb 0.00 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.04 1npq s SER 2 CO 0.00 0.24 0.00 0.23 1.20 0.00 0.00 173.24 174.91 1npq n MET 3 N 2.17 0.00 -3.38 5.44 2.00 -1.26 -5.09 117.12 117.00 1npq n MET 3 Ca -0.16 0.00 -0.05 0.00 0.00 0.00 0.00 57.70 57.49 1npq n MET 3 Cb 0.52 -0.13 -0.06 0.00 0.00 0.00 0.00 33.22 33.55 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 -2.00 -0.74 -2.14 2.03 -1.32 -1.26 -5.01 115.64 105.20 1npq s THR 4 Ca 0.00 -0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.73 1npq s THR 4 Cb 0.00 -0.84 0.65 0.00 -1.51 0.00 0.00 72.50 70.79 1npq s THR 4 CO 0.00 -0.05 1.86 0.47 -2.21 0.00 0.00 174.62 174.70 1npq n ASP 5 N 5.39 0.57 0.02 8.08 8.00 -1.26 -3.99 116.55 133.35 1npq n ASP 5 Ca -0.05 -1.34 0.22 0.00 0.71 0.00 0.00 54.79 54.33 1npq n ASP 5 Cb 0.50 -0.02 0.73 0.00 -0.02 0.00 0.00 41.12 42.31 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 0.82 0.00 0.00 -1.24 3.07 -2.00 0.63 115.11 116.39 1npq h GLN 6 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1npq h GLN 6 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.74 1npq h GLN 6 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 178.83 180.88 1npq h GLN 7 N 0.00 0.00 0.01 0.06 4.20 -1.88 -2.65 115.11 114.85 1npq h GLN 7 Ca 0.25 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.79 1npq h GLN 7 Cb 1.20 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.96 1npq h GLN 7 CO -0.00 0.00 -0.92 0.00 -0.67 0.00 0.00 178.83 177.24 1npq h ALA 8 N 2.07 0.18 -0.78 3.87 0.00 -0.04 -3.35 119.26 121.20 1npq h ALA 8 Ca 0.00 -0.99 0.05 0.00 0.00 0.00 0.00 54.91 53.97 1npq h ALA 8 Cb 0.62 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 1npq h ALA 8 CO 0.00 0.52 0.51 0.93 0.00 0.00 0.00 179.25 181.21 1npq h GLU 9 N -0.91 0.85 -0.39 0.00 4.39 -1.51 -2.62 114.58 114.39 1npq h GLU 9 Ca -0.24 -0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.47 1npq h GLU 9 Cb 1.27 -0.19 -0.09 0.00 -0.10 0.00 0.00 28.75 29.64 1npq h GLU 9 CO -0.12 0.57 -0.45 0.00 -1.16 0.00 0.00 179.01 177.85 1npq h ALA 10 N 1.57 -0.50 -0.40 3.43 0.00 -1.61 1.20 119.26 122.95 1npq h ALA 10 Ca 0.33 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.40 1npq h ALA 10 Cb 0.17 0.93 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1npq h ALA 10 CO -0.11 -0.90 0.42 -0.09 0.00 0.00 0.00 179.25 178.58 1npq h ARG 11 N -0.35 0.00 0.00 0.00 2.43 -1.60 0.37 114.38 115.24 1npq h ARG 11 Ca 0.12 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1npq h ARG 11 Cb 0.59 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1npq h ARG 11 CO -0.57 0.00 -1.50 0.00 -1.51 0.00 0.00 179.97 176.39 1npq n ALA 12 N -2.35 2.65 0.13 2.80 0.00 0.16 -4.13 120.51 119.77 1npq n ALA 12 Ca 0.07 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1npq n ALA 12 Cb 0.60 -0.93 0.07 0.00 0.00 0.00 0.00 19.45 19.19 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 -2.72 0.00 3.04 0.54 -3.45 116.94 114.34 1npq h PHE 13 Ca -0.00 0.00 -0.57 0.00 3.98 0.00 0.00 57.97 61.37 1npq h PHE 13 Cb 1.01 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 39.46 1npq h PHE 13 CO 0.00 0.62 -0.56 -0.51 -2.02 0.00 0.00 178.31 175.84 1npq s LEU 14 N -6.78 3.85 0.72 0.59 1.43 -0.62 -5.07 118.68 112.80 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 -2.46 0.02 0.00 0.03 0.00 0.00 46.19 43.88 1npq s LEU 14 CO 0.75 0.07 1.07 -0.55 0.23 0.00 0.00 176.35 177.93 1npq s SER 15 N -3.06 5.17 0.57 2.29 0.15 -1.26 -4.88 113.70 112.67 1npq s SER 15 Ca 0.31 1.53 0.31 0.00 0.70 0.00 0.00 55.95 58.81 1npq s SER 15 Cb -0.10 -2.38 1.45 0.00 -1.71 0.00 0.00 66.02 63.28 1npq s SER 15 CO 0.24 -1.57 1.82 -0.33 1.20 0.00 0.00 173.24 174.60 1npq h GLU 16 N -0.81 0.00 0.35 5.44 5.08 -1.99 0.65 114.58 123.30 1npq h GLU 16 Ca -0.45 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.90 1npq h GLU 16 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1npq h GLU 16 CO 0.57 0.00 -0.17 0.93 -1.00 0.00 0.00 179.01 179.35 1npq h GLU 17 N 0.00 -0.45 0.00 2.33 5.08 -1.99 -0.08 114.58 119.47 1npq h GLU 17 Ca 0.38 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1npq h GLU 17 Cb 1.73 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 31.08 1npq h GLU 17 CO -0.00 -0.25 -0.01 1.98 -1.00 0.00 0.00 179.01 179.73 1npq h MET 18 N -0.55 0.00 0.00 2.33 4.05 -1.22 -2.09 114.93 117.45 1npq h MET 18 Ca -0.05 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1npq h MET 18 Cb 0.41 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.21 1npq h MET 18 CO 0.08 0.01 -0.02 0.82 0.23 0.00 0.00 176.91 178.02 1npq h ILE 19 N 0.00 0.00 -0.70 1.77 2.04 -1.08 -1.50 117.51 118.04 1npq h ILE 19 Ca -0.00 -0.53 0.20 0.00 1.00 0.00 0.00 64.86 65.54 1npq h ILE 19 Cb 0.04 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.10 1npq h ILE 19 CO 0.00 0.00 0.74 0.00 0.00 0.00 0.00 178.15 178.89 1npq h ALA 20 N -1.47 2.50 0.04 1.87 0.00 -0.96 0.99 119.26 122.22 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 0.02 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1npq h ALA 20 CO 0.00 -1.10 -1.63 0.93 0.00 0.00 0.00 179.25 177.45 1npq h GLU 21 N 0.00 0.09 -0.35 0.00 5.08 -1.49 -3.32 114.58 114.60 1npq h GLU 21 Ca 0.33 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1npq h GLU 21 Cb 1.81 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 31.10 1npq h GLU 21 CO -0.00 0.79 0.22 0.35 -1.00 0.00 0.00 179.01 179.36 1npq h PHE 22 N 0.02 0.44 0.00 4.33 3.04 0.21 0.64 116.94 125.63 1npq h PHE 22 Ca -0.26 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.69 1npq h PHE 22 Cb 1.99 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 40.35 1npq h PHE 22 CO 0.02 0.29 0.00 -0.22 -2.02 0.00 0.00 178.31 176.38 1npq h LYS 23 N 0.47 0.00 0.00 1.11 3.11 -1.43 -3.32 116.57 116.50 1npq h LYS 23 Ca 0.13 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.97 1npq h LYS 23 Cb -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.20 1npq h LYS 23 CO -0.03 0.00 0.00 0.00 -2.81 0.00 0.00 179.45 176.61 1npq n ALA 24 N -1.93 -0.06 1.30 5.00 0.00 0.22 -1.53 120.51 123.51 1npq n ALA 24 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1npq n ALA 24 Cb 0.37 0.31 0.66 0.00 0.00 0.00 0.00 19.45 20.79 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 -2.02 2.30 0.02 0.00 0.00 -1.26 -3.64 120.51 115.91 1npq n ALA 25 Ca 0.00 -0.13 0.22 0.00 0.00 0.00 0.00 53.44 53.53 1npq n ALA 25 Cb 0.00 -1.40 0.73 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.38 0.54 116.94 119.68 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 0.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1npq h PHE 26 CO 0.00 0.00 -0.08 0.22 -2.23 0.00 0.00 178.31 176.22 1npq h ASP 27 N 0.00 0.00 -0.19 0.41 3.58 -1.68 -3.30 116.42 115.24 1npq h ASP 27 Ca 0.26 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.76 1npq h ASP 27 Cb 1.26 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.30 1npq h ASP 27 CO -0.00 0.49 0.16 0.24 -2.88 0.00 0.00 179.24 177.24 1npq h MET 28 N -0.89 0.00 0.00 0.28 2.86 -1.71 -3.13 114.93 112.34 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 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 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 -4.22 0.00 -1.67 -0.22 3.72 0.19 -4.56 117.46 110.70 1npq n PHE 29 Ca 0.02 0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 56.94 1npq n PHE 29 Cb 0.29 -0.28 -0.05 0.00 -0.94 0.00 0.00 39.48 38.50 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 -1.46 3.44 -0.10 4.37 8.00 -1.19 -4.84 116.55 124.77 1npq n ASP 30 Ca 0.00 0.91 -0.24 0.00 0.71 0.00 0.00 54.79 56.17 1npq n ASP 30 Cb 0.00 -1.38 -0.11 0.00 -0.02 0.00 0.00 41.12 39.60 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 7.09 1.04 0.30 2.24 0.00 -1.26 -4.24 120.51 125.68 1npq n ALA 31 Ca 0.24 -0.81 0.19 0.00 0.00 0.00 0.00 53.44 53.06 1npq n ALA 31 Cb 0.31 -0.27 0.89 0.00 0.00 0.00 0.00 19.45 20.38 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 -0.69 0.00 0.00 0.00 2.03 -1.96 -3.47 116.42 112.34 1npq h ASP 32 Ca -0.52 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.78 1npq h ASP 32 Cb 1.62 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.12 1npq h ASP 32 CO -0.22 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.60 1npq n GLY 33 N -0.41 0.57 2.23 7.15 0.00 -1.26 -4.95 105.19 108.52 1npq n GLY 33 Ca -0.01 -0.11 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 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 3.36 0.00 -0.02 0.00 -1.26 -4.73 105.19 102.54 1npq n GLY 34 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 0.32 0.49 0.26 -0.02 0.00 -1.26 -5.12 105.19 99.86 1npq n GLY 35 Ca 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.24 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 0.54 -4.14 1.61 8.00 -1.26 -4.73 116.55 116.58 1npq n ASP 36 Ca 0.00 -1.17 -0.29 0.00 0.71 0.00 0.00 54.79 54.04 1npq n ASP 36 Cb 0.00 0.10 -0.17 0.00 -0.02 0.00 0.00 41.12 41.03 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 -1.84 1.71 0.00 0.53 1.01 -0.98 -4.57 121.20 117.05 1npq s ILE 37 Ca 0.02 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1npq s ILE 37 Cb 0.00 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 40.97 1npq s ILE 37 CO 0.02 0.48 0.00 -1.20 0.00 0.00 0.00 174.94 174.24 1npq n SER 38 N 3.69 1.26 0.24 3.58 7.64 -1.26 -0.38 113.62 128.38 1npq n SER 38 Ca -0.20 -0.37 0.09 0.00 1.01 0.00 0.00 58.87 59.39 1npq n SER 38 Cb 0.52 0.00 0.59 0.00 -1.01 0.00 0.00 64.21 64.31 1npq n SER 38 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1npq h THR 39 N 0.23 0.85 0.00 0.44 1.35 -1.92 -2.81 112.91 111.05 1npq h THR 39 Ca 0.00 -0.71 -0.03 0.00 -0.55 0.00 0.00 66.41 65.12 1npq h THR 39 Cb 0.00 1.42 -0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1npq h THR 39 CO 0.00 0.18 -0.13 0.11 -0.25 0.00 0.00 175.52 175.43 1npq h LYS 40 N 0.00 0.01 -0.11 4.72 1.57 -1.97 -3.12 116.57 117.67 1npq h LYS 40 Ca -0.00 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1npq h LYS 40 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1npq h LYS 40 CO 0.02 1.01 0.23 0.93 -0.57 0.00 0.00 179.45 181.07 1npq h GLU 41 N -0.98 0.00 0.14 3.15 5.08 -1.87 -1.44 114.58 118.66 1npq h GLU 41 Ca -0.03 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.09 1npq h GLU 41 Cb 1.04 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.31 1npq h GLU 41 CO -0.01 0.00 -1.10 1.25 -1.00 0.00 0.00 179.01 178.14 1npq h LEU 42 N 0.00 0.46 0.00 1.33 7.12 -1.58 -3.30 115.31 119.34 1npq h LEU 42 Ca 0.05 -0.91 0.00 0.00 0.13 0.00 0.00 57.88 57.15 1npq h LEU 42 Cb 0.51 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.49 1npq h LEU 42 CO -0.00 1.51 0.00 0.61 -0.13 0.00 0.00 178.44 180.43 1npq n GLY 43 N 1.70 -0.83 0.00 3.75 0.00 -0.58 -2.31 105.19 106.92 1npq n GLY 43 Ca -0.19 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1npq n GLY 43 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1npq n THR 44 N -1.50 0.00 -0.24 2.61 -1.04 -0.99 -3.07 114.28 110.05 1npq n THR 44 Ca 0.02 0.29 0.03 0.00 -2.04 0.00 0.00 64.05 62.36 1npq n THR 44 Cb 0.11 -0.76 0.27 0.00 -1.82 0.00 0.00 70.33 68.14 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 1.10 -0.01 12.58 3.04 -1.69 -1.65 116.25 129.63 1npq h VAL 45 Ca 0.00 -0.33 -0.09 0.00 -1.01 0.00 0.00 66.70 65.28 1npq h VAL 45 Cb 0.00 0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 29.34 1npq h VAL 45 CO 0.00 0.17 -0.41 0.24 -1.01 0.00 0.00 177.57 176.56 1npq h MET 46 N 0.95 0.02 0.00 4.17 2.07 -1.66 -1.99 114.93 118.49 1npq h MET 46 Ca 0.32 -0.01 -0.22 0.00 -2.07 0.00 0.00 59.70 57.73 1npq h MET 46 Cb 0.09 -0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 29.79 1npq h MET 46 CO -0.10 0.43 -1.08 0.00 1.07 0.00 0.00 176.91 177.23 1npq h ARG 47 N 0.02 0.00 -0.53 1.72 3.08 -1.29 0.48 114.38 117.85 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 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1npq h ARG 47 CO 0.05 0.92 0.00 0.00 -1.07 0.00 0.00 179.97 179.88 1npq n MET 48 N -3.31 2.25 -0.01 0.04 0.00 -0.69 -4.22 117.12 111.18 1npq n MET 48 Ca -0.02 -1.90 -0.02 0.00 0.00 0.00 0.00 57.70 55.75 1npq n MET 48 Cb 0.95 -1.42 -0.01 0.00 0.00 0.00 0.00 33.22 32.74 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 2.88 0.00 3.17 4.77 -0.77 -5.04 117.00 123.05 1npq n LEU 49 Ca 0.18 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1npq n LEU 49 Cb 0.45 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1npq n LEU 49 CO 0.12 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1npq n GLY 50 N 3.34 1.71 3.74 -0.72 0.00 -1.06 -5.10 105.19 107.12 1npq n GLY 50 Ca -0.05 -0.14 -0.31 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 1.93 -0.34 1.61 2.00 0.13 -4.94 119.66 120.05 1npq s GLN 51 Ca 0.00 1.22 0.16 0.00 -2.00 0.00 0.00 55.36 54.73 1npq s GLN 51 Cb 0.00 -1.86 0.43 0.00 0.80 0.00 0.00 33.01 32.39 1npq s GLN 51 CO 0.00 -1.89 1.01 -1.71 -0.50 0.00 0.00 175.29 172.20 1npq n ASN 52 N -3.69 0.67 -4.59 6.67 5.15 -1.26 -3.43 115.26 114.78 1npq n ASN 52 Ca 0.09 -2.71 -0.42 0.00 -0.60 0.00 0.00 54.58 50.94 1npq n ASN 52 Cb 0.53 -0.19 -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 -2.36 3.42 0.91 1.20 0.04 -1.26 -5.00 135.00 131.95 1npq s PRO 53 Ca 0.27 0.90 -0.14 0.00 0.04 0.00 0.00 61.00 62.07 1npq s PRO 53 Cb 0.44 -4.10 0.22 0.00 0.04 0.00 0.00 34.50 31.10 1npq s PRO 53 CO 0.00 -1.76 0.49 0.25 0.04 0.00 0.00 177.00 176.02 1npq n THR 54 N 7.11 0.00 0.22 1.26 -2.24 -1.26 -4.40 114.28 114.97 1npq n THR 54 Ca 0.17 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.80 1npq n THR 54 Cb 0.48 -0.56 -0.07 0.00 -2.10 0.00 0.00 70.33 68.08 1npq n THR 54 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1npq h LYS 55 N 0.00 -0.61 -0.25 -0.78 3.64 -1.94 -2.01 116.57 114.62 1npq h LYS 55 Ca -0.22 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.23 1npq h LYS 55 Cb 0.75 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 1npq h LYS 55 CO 0.13 -0.41 0.17 0.00 -2.27 0.00 0.00 179.45 177.08 1npq h GLU 57 N 0.22 -1.08 -0.15 0.00 4.22 -1.68 0.31 114.58 116.42 1npq h GLU 57 Ca 0.11 0.07 -0.09 0.00 0.08 0.00 0.00 59.36 59.53 1npq h GLU 57 Cb 0.16 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1npq h GLU 57 CO -0.02 -0.72 -0.30 -0.07 -2.18 0.00 0.00 179.01 175.73 1npq h LEU 58 N -1.14 0.30 -1.68 1.64 3.38 -1.19 -2.45 115.31 114.17 1npq h LEU 58 Ca -0.11 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1npq h LEU 58 Cb 0.86 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1npq h LEU 58 CO 0.19 0.59 -0.19 -0.78 0.09 0.00 0.00 178.44 178.34 1npq h ASP 59 N 0.26 0.00 0.61 -0.43 3.58 -0.38 -0.01 116.42 120.05 1npq h ASP 59 Ca 0.04 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.33 1npq h ASP 59 Cb 0.66 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.69 1npq h ASP 59 CO 0.05 0.19 -0.72 0.00 -2.88 0.00 0.00 179.24 175.88 1npq h ALA 60 N 1.81 0.78 0.00 -0.78 0.00 -0.43 -2.71 119.26 117.93 1npq h ALA 60 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1npq h ALA 60 Cb 0.40 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1npq h ALA 60 CO 0.02 0.85 -0.03 0.82 0.00 0.00 0.00 179.25 180.92 1npq h ILE 61 N 0.06 0.00 -1.01 0.00 5.03 -1.31 -3.19 117.51 117.09 1npq h ILE 61 Ca -0.01 -1.00 0.31 0.00 -0.12 0.00 0.00 64.86 64.04 1npq h ILE 61 Cb 1.27 0.00 -0.14 0.00 -3.03 0.00 0.00 36.82 34.91 1npq h ILE 61 CO 0.10 0.00 0.59 0.40 -0.68 0.00 0.00 178.15 178.56 1npq h ILE 62 N -1.00 0.35 -0.80 -0.67 2.04 -1.15 0.72 117.51 117.00 1npq h ILE 62 Ca 0.00 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 1npq h ILE 62 Cb 0.03 -0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.01 1npq h ILE 62 CO 0.00 0.07 0.35 0.00 0.00 0.00 0.00 178.15 178.57 1npq h GLU 64 N 1.15 0.60 0.59 0.00 4.22 0.23 -3.34 114.58 118.03 1npq h GLU 64 Ca 0.27 -0.57 -0.03 0.00 0.08 0.00 0.00 59.36 59.11 1npq h GLU 64 Cb 0.17 0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.56 1npq h GLU 64 CO -0.03 1.19 -0.28 0.28 -2.18 0.00 0.00 179.01 177.98 1npq h VAL 65 N 0.38 0.00 -0.53 0.32 2.07 -0.10 -3.39 116.25 115.00 1npq h VAL 65 Ca -0.08 -0.25 -0.14 0.00 0.82 0.00 0.00 66.70 67.05 1npq h VAL 65 Cb 1.51 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1npq h VAL 65 CO 0.17 0.00 0.56 0.47 0.02 0.00 0.00 177.57 178.79 1npq n ASP 66 N -4.83 1.52 0.17 0.57 8.00 0.63 -4.74 116.55 117.88 1npq n ASP 66 Ca -0.10 -1.17 0.01 0.00 0.71 0.00 0.00 54.79 54.24 1npq n ASP 66 Cb 0.31 -1.52 0.31 0.00 -0.02 0.00 0.00 41.12 40.20 1npq n ASP 66 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1npq h GLU 67 N 13.79 0.00 0.00 -1.24 -0.00 -1.84 -2.89 114.58 122.40 1npq h GLU 67 Ca -0.04 0.00 -0.19 0.00 -0.00 0.00 0.00 59.36 59.13 1npq h GLU 67 Cb 1.07 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.79 1npq h GLU 67 CO 1.11 0.44 -1.03 0.38 -0.00 0.00 0.00 179.01 179.91 1npq h ASP 68 N 0.00 0.00 -1.49 3.06 2.03 -1.95 -3.49 116.42 114.58 1npq h ASP 68 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1npq h ASP 68 Cb 0.79 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.29 1npq h ASP 68 CO 0.06 0.82 0.00 0.61 -1.03 0.00 0.00 179.24 179.70 1npq n GLY 69 N 1.36 0.83 0.02 7.15 0.00 -1.09 -5.04 105.19 108.42 1npq n GLY 69 Ca -0.03 -0.49 -0.02 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.75 3.92 0.00 1.61 3.41 -1.26 -5.02 113.62 115.53 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 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 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 2.74 1.39 3.59 5.00 0.00 -1.26 -5.03 105.19 111.61 1npq n GLY 71 Ca -0.07 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 -2.60 4.59 -0.48 2.61 -4.23 -1.26 -4.18 115.64 110.08 1npq s THR 72 Ca 0.00 -0.10 -0.21 0.00 -1.18 0.00 0.00 61.69 60.19 1npq s THR 72 Cb 0.00 -3.07 0.04 0.00 1.34 0.00 0.00 72.50 70.80 1npq s THR 72 CO 0.00 0.44 0.73 -0.63 -0.54 0.00 0.00 174.62 174.63 1npq s ILE 73 N 0.57 4.71 0.00 2.99 1.01 0.48 -4.81 121.20 126.15 1npq s ILE 73 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.72 1npq s ILE 73 Cb -0.13 -4.33 0.00 0.00 0.01 0.00 0.00 42.46 38.01 1npq s ILE 73 CO 0.01 -0.79 0.00 -0.67 0.00 0.00 0.00 174.94 173.49 1npq n ASP 74 N 6.59 -1.14 0.00 3.58 2.03 -1.26 -2.32 116.55 124.03 1npq n ASP 74 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 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 -2.16 0.00 0.31 -0.67 3.01 -1.26 -3.61 117.46 113.07 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 -0.01 1.01 0.00 -0.01 0.00 0.00 39.48 40.47 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 -0.70 -1.08 4.39 -1.94 -2.24 114.58 113.02 1npq h GLU 76 Ca 0.00 0.00 0.20 0.00 0.34 0.00 0.00 59.36 59.90 1npq h GLU 76 Cb 0.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 1npq h GLU 76 CO 0.00 0.02 0.52 0.93 -1.16 0.00 0.00 179.01 179.31 1npq h GLU 77 N 0.00 0.00 0.00 2.33 5.08 -1.83 0.72 114.58 120.88 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 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 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 -4.27 0.79 -0.04 4.33 7.35 -0.84 -1.28 117.46 123.50 1npq n PHE 78 Ca 0.14 0.34 -0.21 0.00 -0.76 0.00 0.00 57.45 56.96 1npq n PHE 78 Cb 0.78 -1.04 -0.13 0.00 0.35 0.00 0.00 39.48 39.44 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 -2.25 2.65 -0.06 -2.13 4.32 0.25 -4.20 117.00 115.58 1npq n LEU 79 Ca 0.01 0.15 -0.09 0.00 -0.02 0.00 0.00 56.01 56.06 1npq n LEU 79 Cb 0.18 -1.06 0.06 0.00 -1.62 0.00 0.00 43.42 40.98 1npq n LEU 79 CO 0.17 0.83 0.61 1.62 -1.22 0.00 0.00 177.39 179.39 1npq h VAL 80 N -0.05 1.28 -0.94 4.08 3.04 -1.26 -2.69 116.25 119.72 1npq h VAL 80 Ca -0.46 -1.51 0.22 0.00 -1.01 0.00 0.00 66.70 63.93 1npq h VAL 80 Cb 1.94 1.42 -0.12 0.00 -2.01 0.00 0.00 31.29 32.53 1npq h VAL 80 CO 0.01 0.49 0.50 0.00 -1.01 0.00 0.00 177.57 177.56 1npq h MET 81 N 0.60 0.52 -0.00 4.17 -0.00 -1.38 0.54 114.93 119.38 1npq h MET 81 Ca 0.06 -0.03 -0.17 0.00 -0.00 0.00 0.00 59.70 59.56 1npq h MET 81 Cb 0.89 -0.12 -0.02 0.00 -0.00 0.00 0.00 31.60 32.35 1npq h MET 81 CO 0.08 0.34 -0.79 0.52 -0.00 0.00 0.00 176.91 177.06 1npq h MET 82 N 0.54 0.04 -0.06 -0.10 2.07 -1.69 -3.14 114.93 112.59 1npq h MET 82 Ca 0.58 -0.04 -0.11 0.00 -2.07 0.00 0.00 59.70 58.07 1npq h MET 82 Cb 1.06 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.79 1npq h MET 82 CO -0.47 0.81 -0.45 0.28 1.07 0.00 0.00 176.91 178.15 1npq h VAL 83 N 0.02 1.33 0.00 -2.22 2.07 0.29 0.38 116.25 118.12 1npq h VAL 83 Ca -0.01 -1.59 -0.03 0.00 0.82 0.00 0.00 66.70 65.89 1npq h VAL 83 Cb 1.40 1.79 -0.00 0.00 -1.52 0.00 0.00 31.29 32.95 1npq h VAL 83 CO 0.11 0.47 -0.12 0.03 0.02 0.00 0.00 177.57 178.07 1npq h ARG 84 N 0.11 0.00 0.00 1.57 3.08 -0.83 -2.37 114.38 115.95 1npq h ARG 84 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1npq h ARG 84 Cb 0.84 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.89 1npq h ARG 84 CO 0.06 0.12 -1.71 1.04 -1.07 0.00 0.00 179.97 178.42 1npq n GLN 85 N -3.29 0.51 0.04 0.04 1.13 -1.00 -4.51 117.38 110.30 1npq n GLN 85 Ca 0.00 -0.13 -0.20 0.00 -1.94 0.00 0.00 57.00 54.73 1npq n GLN 85 Cb 0.36 -1.36 -0.10 0.00 0.11 0.00 0.00 30.24 29.25 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 0.69 -4.12 -1.09 2.86 -0.14 -3.36 114.93 109.76 1npq h MET 86 Ca -0.02 -0.73 -0.55 0.00 -2.06 0.00 0.00 59.70 56.35 1npq h MET 86 Cb 0.75 0.21 0.04 0.00 0.06 0.00 0.00 31.60 32.65 1npq h MET 86 CO 0.00 1.31 2.38 1.63 1.06 0.00 0.00 176.91 183.29 1npq n LYS 87 N -3.89 1.66 0.00 1.72 5.02 -0.90 -4.62 118.16 117.15 1npq n LYS 87 Ca -0.11 -1.68 -0.00 0.00 -2.02 0.00 0.00 58.31 54.50 1npq n LYS 87 Cb 0.86 -2.74 -0.00 0.00 -0.02 0.00 0.00 35.03 33.13 1npq n LYS 87 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1npq h GLU 88 N 7.37 -0.00 0.00 1.97 4.57 -1.90 -3.49 114.58 123.10 1npq h GLU 88 Ca 0.44 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.62 1npq h GLU 88 Cb 0.48 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1npq h GLU 88 CO 1.77 -0.00 0.00 -3.47 -1.18 0.00 0.00 179.01 176.13 1npq n ASP 89 N -2.03 0.00 0.00 1.04 -0.08 -1.26 -5.19 116.55 109.03 1npq n ASP 89 Ca -0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1npq n ASP 89 Cb 0.00 0.30 0.00 0.00 2.34 0.00 0.00 41.12 43.76 1npq n ASP 89 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32