#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 6.63 0.07 0.00 1.04 -1.26 -5.00 113.70 115.19 1npq s SER 2 Ca 0.00 0.60 -0.02 0.00 0.48 0.00 0.00 55.95 57.01 1npq s SER 2 Cb 0.00 -2.40 0.01 0.00 0.10 0.00 0.00 66.02 63.73 1npq s SER 2 CO 0.00 -0.61 0.13 0.23 0.98 0.00 0.00 173.24 173.96 1npq n MET 3 N 6.19 0.18 -2.44 4.02 0.00 -1.26 -5.11 117.12 118.70 1npq n MET 3 Ca 0.03 -0.48 -0.42 0.00 0.00 0.00 0.00 57.70 56.82 1npq n MET 3 Cb 0.48 0.53 -0.02 0.00 0.00 0.00 0.00 33.22 34.21 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 -2.68 3.90 -2.16 2.03 -1.32 -1.26 -4.83 115.64 109.33 1npq s THR 4 Ca 0.04 0.84 0.18 0.00 -1.21 0.00 0.00 61.69 61.54 1npq s THR 4 Cb -0.01 -4.46 0.23 0.00 -1.51 0.00 0.00 72.50 66.75 1npq s THR 4 CO 0.03 -1.09 1.16 0.47 -2.21 0.00 0.00 174.62 172.99 1npq n ASP 5 N 8.99 2.77 -0.17 8.08 8.00 -1.26 -4.52 116.55 138.45 1npq n ASP 5 Ca 0.13 -1.83 0.29 0.00 0.71 0.00 0.00 54.79 54.09 1npq n ASP 5 Cb 0.49 -0.09 0.72 0.00 -0.02 0.00 0.00 41.12 42.22 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 3.60 0.00 0.00 -1.24 3.07 -2.00 0.84 115.11 119.38 1npq h GLN 6 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.68 1npq h GLN 6 Cb 0.80 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.35 1npq h GLN 6 CO 0.00 0.00 -0.28 1.96 0.09 0.00 0.00 178.83 180.60 1npq h GLN 7 N 0.00 0.00 0.00 0.06 4.20 -1.88 -2.31 115.11 115.19 1npq h GLN 7 Ca 0.43 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.09 1npq h GLN 7 Cb 1.85 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.62 1npq h GLN 7 CO -0.00 0.28 -0.28 0.00 -0.67 0.00 0.00 178.83 178.16 1npq h ALA 8 N 1.72 0.05 -0.84 3.87 0.00 0.37 -3.33 119.26 121.10 1npq h ALA 8 Ca -0.00 -0.65 0.11 0.00 0.00 0.00 0.00 54.91 54.36 1npq h ALA 8 Cb 0.71 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 1npq h ALA 8 CO 0.04 0.15 0.55 0.93 0.00 0.00 0.00 179.25 180.92 1npq h GLU 9 N -0.98 0.73 -0.50 0.00 4.39 -1.45 -2.33 114.58 114.43 1npq h GLU 9 Ca -0.08 -0.04 0.07 0.00 0.34 0.00 0.00 59.36 59.66 1npq h GLU 9 Cb 1.08 -0.17 -0.10 0.00 -0.10 0.00 0.00 28.75 29.47 1npq h GLU 9 CO -0.04 0.48 -0.46 0.00 -1.16 0.00 0.00 179.01 177.84 1npq h ALA 10 N 1.59 -0.45 -0.59 3.43 0.00 -1.52 1.27 119.26 122.99 1npq h ALA 10 Ca 0.40 0.07 0.17 0.00 0.00 0.00 0.00 54.91 55.55 1npq h ALA 10 Cb 0.51 0.97 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1npq h ALA 10 CO -0.16 -0.88 0.51 -0.09 0.00 0.00 0.00 179.25 178.62 1npq h ARG 11 N -0.29 0.00 0.00 0.00 2.43 -1.54 0.38 114.38 115.36 1npq h ARG 11 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1npq h ARG 11 Cb 0.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1npq h ARG 11 CO -0.64 0.00 -1.41 0.00 -1.51 0.00 0.00 179.97 176.41 1npq n ALA 12 N -2.51 2.65 0.32 2.80 0.00 0.18 -4.03 120.51 119.92 1npq n ALA 12 Ca 0.11 -0.35 0.14 0.00 0.00 0.00 0.00 53.44 53.34 1npq n ALA 12 Cb 0.74 -0.96 0.45 0.00 0.00 0.00 0.00 19.45 19.67 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 -1.90 0.00 0.04 0.56 -3.45 116.94 112.19 1npq h PHE 13 Ca 0.00 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 60.16 1npq h PHE 13 Cb 1.00 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 39.01 1npq h PHE 13 CO 0.00 0.00 -0.63 -0.51 -0.60 0.00 0.00 178.31 176.57 1npq s LEU 14 N -5.77 2.76 0.52 1.54 1.43 -0.91 -5.06 118.68 113.19 1npq s LEU 14 Ca 0.05 -1.31 -0.05 0.00 -1.03 0.00 0.00 54.13 51.79 1npq s LEU 14 Cb 0.08 -0.88 -0.02 0.00 0.03 0.00 0.00 46.19 45.41 1npq s LEU 14 CO 0.57 -0.38 0.81 -0.44 0.23 0.00 0.00 176.35 177.15 1npq s SER 15 N -3.64 5.99 0.57 2.29 0.01 -1.26 -4.92 113.70 112.74 1npq s SER 15 Ca 0.34 0.79 0.31 0.00 1.31 0.00 0.00 55.95 58.70 1npq s SER 15 Cb 0.07 -1.99 1.45 0.00 0.21 0.00 0.00 66.02 65.76 1npq s SER 15 CO 0.17 -0.76 1.84 -0.08 0.41 0.00 0.00 173.24 174.82 1npq h GLU 16 N 0.10 0.00 0.73 12.44 4.22 -2.00 -0.46 114.58 129.62 1npq h GLU 16 Ca -0.46 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 58.94 1npq h GLU 16 Cb 1.23 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.48 1npq h GLU 16 CO 0.61 0.00 -0.35 0.93 -2.18 0.00 0.00 179.01 178.02 1npq h GLU 17 N 0.00 -0.95 -0.02 1.92 4.39 -2.00 -0.07 114.58 117.85 1npq h GLU 17 Ca 0.36 0.06 0.01 0.00 0.34 0.00 0.00 59.36 60.13 1npq h GLU 17 Cb 1.65 0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 30.51 1npq h GLU 17 CO -0.00 -0.63 0.13 1.98 -1.16 0.00 0.00 179.01 179.32 1npq h MET 18 N -0.99 0.00 0.00 2.33 4.05 -1.45 -2.35 114.93 116.51 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 0.76 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.56 1npq h MET 18 CO 0.17 0.00 -0.04 0.82 0.23 0.00 0.00 176.91 178.08 1npq h ILE 19 N 0.00 0.00 -0.79 1.77 2.04 -1.15 -1.72 117.51 117.67 1npq h ILE 19 Ca 0.01 -0.87 0.23 0.00 1.00 0.00 0.00 64.86 65.23 1npq h ILE 19 Cb 0.27 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.32 1npq h ILE 19 CO -0.00 0.00 0.73 0.00 0.00 0.00 0.00 178.15 178.88 1npq h ALA 20 N -1.13 2.62 0.02 1.87 0.00 -0.78 0.93 119.26 122.78 1npq h ALA 20 Ca 0.00 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.59 1npq h ALA 20 Cb 0.04 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1npq h ALA 20 CO 0.00 -1.13 -1.64 0.93 0.00 0.00 0.00 179.25 177.40 1npq h GLU 21 N 0.00 0.04 -0.47 0.00 5.08 -1.54 -3.33 114.58 114.36 1npq h GLU 21 Ca 0.37 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.68 1npq h GLU 21 Cb 1.83 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 31.08 1npq h GLU 21 CO -0.00 0.65 0.31 0.74 -1.00 0.00 0.00 179.01 179.71 1npq h PHE 22 N 0.01 0.58 0.00 4.33 0.04 0.18 0.71 116.94 122.79 1npq h PHE 22 Ca -0.26 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.52 1npq h PHE 22 Cb 1.99 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 39.94 1npq h PHE 22 CO 0.01 0.36 0.00 -0.22 -0.60 0.00 0.00 178.31 177.86 1npq h LYS 23 N 0.62 0.00 0.00 1.51 3.11 -1.41 -3.35 116.57 117.05 1npq h LYS 23 Ca 0.18 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.02 1npq h LYS 23 Cb -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.19 1npq h LYS 23 CO -0.04 0.00 0.00 0.00 -2.81 0.00 0.00 179.45 176.60 1npq n ALA 24 N -1.80 -0.06 0.90 5.00 0.00 0.24 -1.64 120.51 123.14 1npq n ALA 24 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.57 1npq n ALA 24 Cb 0.35 0.27 0.47 0.00 0.00 0.00 0.00 19.45 20.54 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 -1.73 2.00 -0.27 0.00 0.00 -1.26 -3.67 120.51 115.59 1npq n ALA 25 Ca 0.00 -0.09 0.33 0.00 0.00 0.00 0.00 53.44 53.68 1npq n ALA 25 Cb 0.00 -1.29 0.71 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 0.00 0.00 0.00 0.00 3.57 -1.44 0.60 116.94 119.67 1npq h PHE 26 Ca 0.00 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1npq h PHE 26 Cb 0.14 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1npq h PHE 26 CO 0.00 0.00 -0.49 -0.44 -2.23 0.00 0.00 178.31 175.15 1npq h ASP 27 N 0.00 0.00 -0.59 0.41 5.19 -1.72 -3.34 116.42 116.37 1npq h ASP 27 Ca 0.52 -0.22 0.05 0.00 -0.62 0.00 0.00 57.03 56.76 1npq h ASP 27 Cb 2.33 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 41.80 1npq h ASP 27 CO -0.01 0.88 0.39 0.24 -3.12 0.00 0.00 179.24 177.63 1npq h MET 28 N -1.00 0.62 0.00 3.56 2.86 -1.58 -3.21 114.93 116.18 1npq h MET 28 Ca -0.08 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1npq h MET 28 Cb 0.61 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1npq h MET 28 CO -0.05 0.41 0.00 1.19 1.06 0.00 0.00 176.91 179.53 1npq n PHE 29 N -4.47 0.00 -1.66 -0.22 3.72 0.20 -4.51 117.46 110.53 1npq n PHE 29 Ca 0.08 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.03 1npq n PHE 29 Cb 0.18 -0.24 -0.04 0.00 -0.94 0.00 0.00 39.48 38.44 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 -1.43 3.83 -0.10 4.37 8.00 -1.21 -4.83 116.55 125.19 1npq n ASP 30 Ca 0.00 0.86 -0.19 0.00 0.71 0.00 0.00 54.79 56.17 1npq n ASP 30 Cb 0.00 -1.47 -0.11 0.00 -0.02 0.00 0.00 41.12 39.52 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 10.56 0.21 0.00 2.24 0.00 -1.83 -3.40 119.26 127.04 1npq h ALA 31 Ca -0.48 -1.06 -0.27 0.00 0.00 0.00 0.00 54.91 53.10 1npq h ALA 31 Cb 1.25 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 19.63 1npq h ALA 31 CO 0.95 0.60 -1.58 0.38 0.00 0.00 0.00 179.25 179.59 1npq h ASP 32 N -1.00 0.00 -3.03 0.00 2.03 -1.97 -3.49 116.42 108.97 1npq h ASP 32 Ca -0.28 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 55.96 1npq h ASP 32 Cb 1.19 0.00 0.04 0.00 -0.83 0.00 0.00 39.33 39.72 1npq h ASP 32 CO -0.17 0.95 -0.16 0.61 -1.03 0.00 0.00 179.24 179.44 1npq n GLY 33 N 1.51 0.38 0.00 7.15 0.00 -1.26 -4.97 105.19 108.00 1npq n GLY 33 Ca -0.14 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.20 0.00 0.78 -0.02 0.00 -1.26 -5.02 105.19 98.46 1npq n GLY 34 Ca -0.04 0.00 -0.04 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 0.22 4.68 -0.02 0.00 -1.26 -5.16 105.19 103.65 1npq n GLY 35 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.48 -4.69 1.61 8.00 -1.26 -4.65 116.55 111.08 1npq n ASP 36 Ca -0.17 0.39 -0.37 0.00 0.71 0.00 0.00 54.79 55.35 1npq n ASP 36 Cb 0.53 -1.15 -0.08 0.00 -0.02 0.00 0.00 41.12 40.39 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 -0.69 5.28 0.00 0.53 1.01 -0.85 -4.80 121.20 121.69 1npq s ILE 37 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.15 1npq s ILE 37 Cb 0.00 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.84 1npq s ILE 37 CO 0.00 0.33 0.00 -1.20 0.00 0.00 0.00 174.94 174.07 1npq n SER 38 N 4.10 0.68 -0.13 3.58 7.64 -1.26 -1.18 113.62 127.05 1npq n SER 38 Ca -0.11 -0.45 -0.11 0.00 1.01 0.00 0.00 58.87 59.20 1npq n SER 38 Cb 0.52 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.70 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 0.15 1.27 -0.47 0.44 1.35 -1.95 -3.06 112.91 110.64 1npq h THR 39 Ca 0.00 -1.09 -0.09 0.00 -0.55 0.00 0.00 66.41 64.68 1npq h THR 39 Cb 0.00 1.22 -0.02 0.00 -1.73 0.00 0.00 68.15 67.62 1npq h THR 39 CO 0.00 0.36 -0.06 0.11 -0.25 0.00 0.00 175.52 175.68 1npq h LYS 40 N 0.50 0.87 -0.07 4.72 1.57 -1.98 -2.66 116.57 119.53 1npq h LYS 40 Ca 0.10 -0.31 0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1npq h LYS 40 Cb 0.54 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1npq h LYS 40 CO 0.03 0.95 0.14 0.93 -0.57 0.00 0.00 179.45 180.93 1npq h GLU 41 N 0.72 0.00 0.00 3.15 5.08 -1.87 -2.78 114.58 118.88 1npq h GLU 41 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1npq h GLU 41 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1npq h GLU 41 CO 0.04 0.00 -0.07 -0.07 -1.00 0.00 0.00 179.01 177.90 1npq h LEU 42 N 0.00 0.00 -1.68 1.33 -0.00 -1.38 -3.34 115.31 110.24 1npq h LEU 42 Ca 0.03 0.00 0.28 0.00 -0.00 0.00 0.00 57.88 58.19 1npq h LEU 42 Cb 0.31 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.93 1npq h LEU 42 CO -0.00 0.52 0.90 1.23 -0.00 0.00 0.00 178.44 181.09 1npq h GLY 43 N -0.97 0.00 0.00 0.83 0.00 -1.37 0.14 103.07 101.71 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 -3.69 0.00 -0.19 4.70 -1.04 -1.07 -1.69 114.28 111.30 1npq n THR 44 Ca 0.21 0.73 0.07 0.00 -2.04 0.00 0.00 64.05 63.02 1npq n THR 44 Cb 1.21 -1.48 0.36 0.00 -1.82 0.00 0.00 70.33 68.60 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 0.99 -0.13 12.58 3.04 -1.63 -1.29 116.25 129.81 1npq h VAL 45 Ca 0.00 -0.25 -0.09 0.00 -1.01 0.00 0.00 66.70 65.35 1npq h VAL 45 Cb 0.00 0.20 -0.01 0.00 -2.01 0.00 0.00 31.29 29.47 1npq h VAL 45 CO 0.00 0.13 -0.32 0.24 -1.01 0.00 0.00 177.57 176.61 1npq h MET 46 N 0.73 0.25 0.00 4.17 2.07 -1.10 -2.35 114.93 118.70 1npq h MET 46 Ca 0.32 -0.10 -0.19 0.00 -2.07 0.00 0.00 59.70 57.67 1npq h MET 46 Cb 0.33 -0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 30.01 1npq h MET 46 CO -0.11 0.55 -1.11 0.00 1.07 0.00 0.00 176.91 177.31 1npq h ARG 47 N 0.22 0.00 -0.48 1.72 3.08 -0.49 0.81 114.38 119.23 1npq h ARG 47 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1npq h ARG 47 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1npq h ARG 47 CO 0.05 0.58 0.00 0.00 -1.07 0.00 0.00 179.97 179.53 1npq n MET 48 N -3.14 2.13 -0.00 0.04 0.00 -0.57 -4.19 117.12 111.39 1npq n MET 48 Ca -0.05 -1.73 -0.00 0.00 0.00 0.00 0.00 57.70 55.92 1npq n MET 48 Cb 0.88 -1.38 -0.00 0.00 0.00 0.00 0.00 33.22 32.72 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 0.90 2.98 0.00 3.17 4.77 -0.90 -5.03 117.00 122.89 1npq n LEU 49 Ca 0.16 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1npq n LEU 49 Cb 0.41 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1npq n LEU 49 CO 0.11 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1npq n GLY 50 N 3.48 1.49 3.73 -0.72 0.00 -1.14 -5.11 105.19 106.93 1npq n GLY 50 Ca -0.00 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 1.76 -0.33 1.61 2.00 0.26 -4.94 119.66 120.02 1npq s GLN 51 Ca 0.00 1.15 0.17 0.00 -2.00 0.00 0.00 55.36 54.68 1npq s GLN 51 Cb 0.00 -1.84 0.45 0.00 0.80 0.00 0.00 33.01 32.42 1npq s GLN 51 CO 0.00 -1.99 1.06 -1.71 -0.50 0.00 0.00 175.29 172.15 1npq n ASN 52 N -3.75 0.77 -4.59 6.67 2.85 -1.26 -3.39 115.26 112.56 1npq n ASN 52 Ca 0.09 -2.57 -0.42 0.00 -0.11 0.00 0.00 54.58 51.57 1npq n ASN 52 Cb 0.53 -0.21 -0.02 0.00 1.24 0.00 0.00 39.78 41.32 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 -2.51 3.45 0.79 1.20 0.04 -1.26 -5.01 135.00 131.69 1npq s PRO 53 Ca 0.26 0.72 -0.13 0.00 0.04 0.00 0.00 61.00 61.88 1npq s PRO 53 Cb 0.43 -4.07 0.20 0.00 0.04 0.00 0.00 34.50 31.11 1npq s PRO 53 CO 0.00 -1.74 0.49 0.25 0.04 0.00 0.00 177.00 176.05 1npq n THR 54 N 6.99 0.00 -0.35 1.26 -2.24 -1.26 -4.40 114.28 114.28 1npq n THR 54 Ca 0.15 -0.04 0.01 0.00 -2.27 0.00 0.00 64.05 61.90 1npq n THR 54 Cb 0.49 -0.62 0.16 0.00 -2.10 0.00 0.00 70.33 68.26 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 1.19 -0.21 -0.78 1.63 -1.96 -1.49 116.57 114.94 1npq h LYS 55 Ca -0.22 -0.07 -0.15 0.00 -0.85 0.00 0.00 60.65 59.36 1npq h LYS 55 Cb 0.72 -0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 1npq h LYS 55 CO 0.13 0.78 -0.49 0.00 -3.45 0.00 0.00 179.45 176.42 1npq h GLU 57 N 0.46 -0.39 0.00 0.00 4.39 -1.65 -1.90 114.58 115.48 1npq h GLU 57 Ca 0.02 0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.65 1npq h GLU 57 Cb 1.03 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 1npq h GLU 57 CO 0.10 -0.18 -0.46 -0.07 -1.16 0.00 0.00 179.01 177.24 1npq h LEU 58 N -0.53 0.00 -1.41 1.33 3.38 -1.34 -2.78 115.31 113.96 1npq h LEU 58 Ca -0.04 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1npq h LEU 58 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1npq h LEU 58 CO 0.07 0.46 -0.25 0.44 0.09 0.00 0.00 178.44 179.24 1npq h ASP 59 N 0.00 0.00 0.90 -0.43 5.19 -0.81 0.25 116.42 121.52 1npq h ASP 59 Ca -0.00 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.21 1npq h ASP 59 Cb 0.89 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.37 1npq h ASP 59 CO 0.06 0.25 -0.92 0.00 -3.12 0.00 0.00 179.24 175.51 1npq h ALA 60 N 1.75 0.48 0.00 3.45 0.00 -1.06 -3.09 119.26 120.79 1npq h ALA 60 Ca -0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1npq h ALA 60 Cb 0.60 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1npq h ALA 60 CO 0.03 1.14 -0.14 0.82 0.00 0.00 0.00 179.25 181.10 1npq h ILE 61 N 0.00 0.00 -0.99 0.00 5.03 -1.42 -3.26 117.51 116.88 1npq h ILE 61 Ca -0.01 -0.91 0.34 0.00 -0.12 0.00 0.00 64.86 64.16 1npq h ILE 61 Cb 1.63 0.00 -0.16 0.00 -3.03 0.00 0.00 36.82 35.26 1npq h ILE 61 CO 0.12 0.00 0.49 0.40 -0.68 0.00 0.00 178.15 178.48 1npq h ILE 62 N -0.91 0.20 -0.41 -0.67 2.04 -1.12 1.04 117.51 117.68 1npq h ILE 62 Ca 0.00 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1npq h ILE 62 Cb 0.14 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.18 1npq h ILE 62 CO 0.00 0.04 0.27 0.00 0.00 0.00 0.00 178.15 178.46 1npq h GLU 64 N 0.56 0.25 -0.13 0.00 4.57 0.26 -3.24 114.58 116.84 1npq h GLU 64 Ca 0.15 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1npq h GLU 64 Cb -0.06 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1npq h GLU 64 CO -0.03 0.91 0.03 0.28 -1.18 0.00 0.00 179.01 179.02 1npq h VAL 65 N 0.16 1.20 -3.05 0.32 2.07 0.12 -3.41 116.25 113.66 1npq h VAL 65 Ca -0.03 -0.63 -0.57 0.00 0.82 0.00 0.00 66.70 66.28 1npq h VAL 65 Cb 1.38 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 32.47 1npq h VAL 65 CO 0.12 0.19 0.86 -1.81 0.02 0.00 0.00 177.57 176.95 1npq s ASP 66 N -5.62 6.98 0.06 0.57 1.11 0.13 -4.84 116.67 115.07 1npq s ASP 66 Ca -0.14 1.45 0.16 0.00 0.18 0.00 0.00 52.55 54.19 1npq s ASP 66 Cb 0.06 -2.54 -0.14 0.00 1.07 0.00 0.00 42.92 41.37 1npq s ASP 66 CO 0.70 -0.77 0.85 1.05 1.18 0.00 0.00 175.17 178.19 1npq h GLU 67 N 7.98 0.00 -0.60 8.23 9.09 -1.82 -3.33 114.58 134.12 1npq h GLU 67 Ca -0.23 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.17 1npq h GLU 67 Cb 1.08 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.17 1npq h GLU 67 CO 0.99 0.35 0.01 -0.40 0.05 0.00 0.00 179.01 180.01 1npq n ASP 68 N -2.94 5.58 -3.83 3.06 5.75 -1.26 -4.95 116.55 117.96 1npq n ASP 68 Ca -0.10 -2.92 -0.27 0.00 -0.01 0.00 0.00 54.79 51.49 1npq n ASP 68 Cb 0.87 -0.69 0.01 0.00 -1.03 0.00 0.00 41.12 40.28 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 0.57 -0.49 0.00 6.12 0.00 -1.25 -4.89 105.19 105.25 1npq n GLY 69 Ca 0.28 0.25 0.06 0.00 0.00 0.00 0.00 46.02 46.60 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 -2.88 2.12 -0.14 1.61 3.41 -1.26 -4.99 113.62 111.49 1npq n SER 70 Ca -0.24 -0.12 -0.02 0.00 -0.26 0.00 0.00 58.87 58.23 1npq n SER 70 Cb 0.65 1.43 -0.01 0.00 -0.26 0.00 0.00 64.21 66.02 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 1.76 0.37 3.45 5.00 0.00 -1.26 -4.98 105.19 109.53 1npq n GLY 71 Ca -0.01 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.57 2.67 -0.29 2.61 -4.23 -1.26 -4.45 115.64 109.11 1npq s THR 72 Ca 0.00 -1.46 -0.01 0.00 -1.18 0.00 0.00 61.69 59.04 1npq s THR 72 Cb 0.00 -2.18 0.05 0.00 1.34 0.00 0.00 72.50 71.71 1npq s THR 72 CO 0.00 0.18 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.61 1npq s ILE 73 N -1.04 2.86 0.00 2.99 1.01 -0.32 -4.71 121.20 121.98 1npq s ILE 73 Ca 0.16 -1.42 0.00 0.00 0.00 0.00 0.00 60.65 59.39 1npq s ILE 73 Cb -0.10 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 39.72 1npq s ILE 73 CO 0.07 -0.09 0.00 -0.90 0.00 0.00 0.00 174.94 174.03 1npq n ASP 74 N 4.59 -0.48 0.00 3.58 5.68 -1.26 -2.00 116.55 126.66 1npq n ASP 74 Ca -0.13 -0.48 0.00 0.00 -0.50 0.00 0.00 54.79 53.68 1npq n ASP 74 Cb 0.43 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 1npq n ASP 74 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1npq n PHE 75 N -1.77 0.00 0.08 2.11 3.01 -1.26 -2.83 117.46 116.79 1npq n PHE 75 Ca 0.00 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.63 1npq n PHE 75 Cb 0.00 -0.02 0.67 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 -0.49 -1.08 4.39 -1.95 -1.20 114.58 114.26 1npq h GLU 76 Ca 0.00 -0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.84 1npq h GLU 76 Cb 0.00 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1npq h GLU 76 CO 0.00 0.00 0.38 0.93 -1.16 0.00 0.00 179.01 179.17 1npq h GLU 77 N 0.00 0.00 0.00 2.33 5.08 -1.81 0.23 114.58 120.41 1npq h GLU 77 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1npq h GLU 77 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 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 0.03 4.33 3.57 -1.05 -0.30 116.94 123.52 1npq h PHE 78 Ca 0.23 0.00 -0.37 0.00 3.53 0.00 0.00 57.97 61.36 1npq h PHE 78 Cb 1.00 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.69 1npq h PHE 78 CO 0.00 0.00 -2.13 1.28 -2.23 0.00 0.00 178.31 175.23 1npq n LEU 79 N -2.42 2.39 0.10 0.59 4.32 0.78 -4.31 117.00 118.45 1npq n LEU 79 Ca -0.00 0.19 0.02 0.00 -0.02 0.00 0.00 56.01 56.20 1npq n LEU 79 Cb 0.13 -0.95 0.37 0.00 -1.62 0.00 0.00 43.42 41.35 1npq n LEU 79 CO 0.16 0.69 0.89 1.62 -1.22 0.00 0.00 177.39 179.53 1npq h VAL 80 N -0.46 1.18 -0.85 4.08 3.04 -1.34 -1.57 116.25 120.33 1npq h VAL 80 Ca -0.53 -0.79 0.17 0.00 -1.01 0.00 0.00 66.70 64.54 1npq h VAL 80 Cb 1.73 1.17 -0.10 0.00 -2.01 0.00 0.00 31.29 32.08 1npq h VAL 80 CO -0.16 0.25 0.41 0.00 -1.01 0.00 0.00 177.57 177.06 1npq h MET 81 N 0.28 0.52 0.00 4.17 -0.00 -1.24 0.11 114.93 118.76 1npq h MET 81 Ca 0.06 -0.03 -0.13 0.00 -0.00 0.00 0.00 59.70 59.60 1npq h MET 81 Cb 0.37 -0.12 -0.02 0.00 -0.00 0.00 0.00 31.60 31.84 1npq h MET 81 CO 0.02 0.34 -1.04 0.52 -0.00 0.00 0.00 176.91 176.76 1npq h MET 82 N 0.53 0.00 -0.61 -0.10 2.07 -1.66 -3.33 114.93 111.83 1npq h MET 82 Ca 0.49 0.00 -0.09 0.00 -2.07 0.00 0.00 59.70 58.03 1npq h MET 82 Cb 0.78 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.49 1npq h MET 82 CO -0.42 0.32 0.04 0.28 1.07 0.00 0.00 176.91 178.20 1npq h VAL 83 N 0.00 1.26 0.00 -2.22 2.07 0.05 0.80 116.25 118.20 1npq h VAL 83 Ca -0.09 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1npq h VAL 83 Cb 1.44 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1npq h VAL 83 CO 0.05 0.40 0.00 0.03 0.02 0.00 0.00 177.57 178.07 1npq h ARG 84 N 0.96 0.00 0.00 1.57 3.08 -1.00 -2.03 114.38 116.96 1npq h ARG 84 Ca 0.18 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.92 1npq h ARG 84 Cb 0.50 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.49 1npq h ARG 84 CO 0.02 0.00 -2.16 1.04 -1.07 0.00 0.00 179.97 177.81 1npq n GLN 85 N -2.45 1.20 0.19 0.04 1.13 -0.79 -3.39 117.38 113.30 1npq n GLN 85 Ca 0.02 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.95 1npq n GLN 85 Cb 0.24 -1.43 -0.07 0.00 0.11 0.00 0.00 30.24 29.09 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 -0.49 -0.03 -1.09 2.86 0.77 -3.33 114.93 113.62 1npq h MET 86 Ca -0.46 0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.13 1npq h MET 86 Cb 2.01 0.11 0.01 0.00 0.06 0.00 0.00 31.60 33.78 1npq h MET 86 CO 0.02 -0.17 -0.34 0.87 1.06 0.00 0.00 176.91 178.35 1npq h LYS 87 N -0.90 0.28 0.00 1.72 6.56 -1.60 -3.46 116.57 119.17 1npq h LYS 87 Ca -0.05 -0.26 0.00 0.00 -1.06 0.00 0.00 60.65 59.28 1npq h LYS 87 Cb 0.54 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.27 1npq h LYS 87 CO 0.08 0.94 0.00 0.39 -2.06 0.00 0.00 179.45 178.80 1npq n GLU 88 N -4.43 0.00 -3.45 3.15 1.02 -1.22 -4.27 120.64 111.44 1npq n GLU 88 Ca -0.09 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.62 1npq n GLU 88 Cb 0.53 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.91 1npq n GLU 88 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1npq s ASP 89 N -3.97 6.41 0.00 1.62 1.11 -1.26 -4.99 116.67 115.59 1npq s ASP 89 Ca 0.00 -2.97 0.29 0.00 0.18 0.00 0.00 52.55 50.05 1npq s ASP 89 Cb 0.00 -2.10 1.27 0.00 1.07 0.00 0.00 42.92 43.16 1npq s ASP 89 CO 0.00 -0.44 1.87 0.00 1.18 0.00 0.00 175.17 177.78