#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 1.56 0.00 0.00 0.01 -1.26 -4.92 113.70 109.09 1npq s SER 2 Ca 0.00 1.49 0.00 0.00 1.31 0.00 0.00 55.95 58.75 1npq s SER 2 Cb 0.00 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 64.01 1npq s SER 2 CO 0.00 -3.84 0.00 0.23 0.41 0.00 0.00 173.24 170.04 1npq n MET 3 N -4.67 0.00 -3.55 12.44 2.00 -1.26 -5.13 117.12 116.96 1npq n MET 3 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.73 1npq n MET 3 Cb 0.55 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.72 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 -1.14 -0.48 -2.11 2.03 -1.32 -1.26 -5.02 115.64 106.34 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 -1.00 0.64 0.00 -1.51 0.00 0.00 72.50 70.63 1npq s THR 4 CO 0.00 0.00 1.86 0.47 -2.21 0.00 0.00 174.62 174.74 1npq n ASP 5 N 4.77 0.46 -0.07 8.08 9.92 -1.26 -4.06 116.55 134.39 1npq n ASP 5 Ca -0.13 -1.34 0.25 0.00 -0.53 0.00 0.00 54.79 53.04 1npq n ASP 5 Cb 0.53 -0.02 0.71 0.00 -0.64 0.00 0.00 41.12 41.70 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 0.66 0.00 0.00 -1.24 3.07 -2.01 0.87 115.11 116.46 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 0.14 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.70 1npq h GLN 6 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 178.83 179.96 1npq n GLN 7 N -3.86 0.21 -0.09 0.06 3.00 -1.26 -2.52 117.38 112.91 1npq n GLN 7 Ca 0.14 0.37 -0.22 0.00 -0.01 0.00 0.00 57.00 57.28 1npq n GLN 7 Cb 0.90 -1.85 -0.12 0.00 0.00 0.00 0.00 30.24 29.17 1npq n GLN 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1npq n ALA 8 N -1.77 0.80 -0.35 -1.58 0.00 0.30 -4.18 120.51 113.73 1npq n ALA 8 Ca 0.03 -0.51 0.02 0.00 0.00 0.00 0.00 53.44 52.98 1npq n ALA 8 Cb 0.28 -0.56 0.16 0.00 0.00 0.00 0.00 19.45 19.33 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 -0.89 1.06 -0.68 0.00 5.08 -1.53 -2.53 114.58 115.09 1npq h GLU 9 Ca -0.37 -0.06 0.12 0.00 -1.00 0.00 0.00 59.36 58.05 1npq h GLU 9 Cb 1.39 -0.24 -0.12 0.00 0.50 0.00 0.00 28.75 30.27 1npq h GLU 9 CO -0.19 0.70 -0.35 0.00 -1.00 0.00 0.00 179.01 178.18 1npq h ALA 10 N 1.44 -0.00 -0.38 3.43 0.00 -1.66 1.37 119.26 123.45 1npq h ALA 10 Ca 0.42 0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.63 1npq h ALA 10 Cb 0.18 0.84 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1npq h ALA 10 CO -0.18 -0.67 0.35 -0.09 0.00 0.00 0.00 179.25 178.67 1npq h ARG 11 N -0.13 0.00 0.00 0.00 2.43 -1.61 0.18 114.38 115.25 1npq h ARG 11 Ca 0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1npq h ARG 11 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1npq h ARG 11 CO -0.75 0.00 -1.58 0.00 -1.51 0.00 0.00 179.97 176.13 1npq n ALA 12 N -2.44 2.70 0.47 2.80 0.00 0.31 -4.08 120.51 120.28 1npq n ALA 12 Ca 0.06 -0.40 0.09 0.00 0.00 0.00 0.00 53.44 53.20 1npq n ALA 12 Cb 0.53 -0.90 0.40 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 -2.42 0.36 -4.39 0.00 3.01 0.39 -4.75 117.46 109.66 1npq n PHE 13 Ca -0.02 0.14 -0.20 0.00 1.01 0.00 0.00 57.45 58.38 1npq n PHE 13 Cb 0.56 -0.73 -0.10 0.00 -0.01 0.00 0.00 39.48 39.20 1npq n PHE 13 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1npq s LEU 14 N -3.66 2.49 0.58 4.37 1.43 -1.12 -5.06 118.68 117.71 1npq s LEU 14 Ca 0.06 -1.12 -0.16 0.00 -1.03 0.00 0.00 54.13 51.87 1npq s LEU 14 Cb 0.10 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.66 1npq s LEU 14 CO 0.33 -0.29 1.06 -0.44 0.23 0.00 0.00 176.35 177.24 1npq s SER 15 N -3.38 5.82 0.56 2.29 0.01 -1.26 -4.89 113.70 112.85 1npq s SER 15 Ca 0.26 1.86 0.32 0.00 1.31 0.00 0.00 55.95 59.70 1npq s SER 15 Cb 0.02 -2.54 1.45 0.00 0.21 0.00 0.00 66.02 65.17 1npq s SER 15 CO 0.09 -1.14 1.82 -0.33 0.41 0.00 0.00 173.24 174.09 1npq h GLU 16 N 0.61 0.00 -0.11 12.44 5.08 -1.97 0.26 114.58 130.88 1npq h GLU 16 Ca -0.47 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1npq h GLU 16 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1npq h GLU 16 CO 0.57 0.00 0.05 1.49 -1.00 0.00 0.00 179.01 180.13 1npq h GLU 17 N 0.00 0.16 0.00 2.33 4.81 -2.00 -1.32 114.58 118.56 1npq h GLU 17 Ca 0.39 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1npq h GLU 17 Cb 1.78 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 31.13 1npq h GLU 17 CO -0.00 0.22 0.00 1.98 -0.73 0.00 0.00 179.01 180.48 1npq h MET 18 N 0.05 0.00 0.00 1.92 4.05 -0.84 -2.65 114.93 117.46 1npq h MET 18 Ca 0.04 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1npq h MET 18 Cb 0.12 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 1npq h MET 18 CO -0.00 0.00 -0.15 0.82 0.23 0.00 0.00 176.91 177.80 1npq h ILE 19 N 0.00 0.00 -0.39 1.77 2.04 -1.07 -2.51 117.51 117.35 1npq h ILE 19 Ca 0.00 -0.67 0.11 0.00 1.00 0.00 0.00 64.86 65.31 1npq h ILE 19 Cb 0.24 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 1npq h ILE 19 CO 0.00 0.00 0.50 0.00 0.00 0.00 0.00 178.15 178.65 1npq h ALA 20 N -1.33 2.05 0.05 1.87 0.00 -1.28 0.43 119.26 121.06 1npq h ALA 20 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 1npq h ALA 20 Cb 0.15 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1npq h ALA 20 CO 0.00 -0.70 -1.62 0.93 0.00 0.00 0.00 179.25 177.86 1npq h GLU 21 N 0.00 0.11 -0.29 0.00 5.08 -1.61 -3.31 114.58 114.56 1npq h GLU 21 Ca 0.18 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1npq h GLU 21 Cb 1.19 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 1npq h GLU 21 CO -0.00 0.84 0.08 0.35 -1.00 0.00 0.00 179.01 179.28 1npq h PHE 22 N 0.03 0.41 0.00 4.33 3.04 0.31 0.57 116.94 125.63 1npq h PHE 22 Ca -0.26 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.67 1npq h PHE 22 Cb 1.99 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 40.37 1npq h PHE 22 CO 0.03 0.36 0.00 1.17 -2.02 0.00 0.00 178.31 177.85 1npq n LYS 23 N -4.38 0.13 0.00 1.11 3.00 -0.74 -3.99 118.16 113.29 1npq n LYS 23 Ca 0.01 0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 1npq n LYS 23 Cb 0.16 -1.69 0.00 0.00 0.00 0.00 0.00 35.03 33.50 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 -1.66 -0.02 0.92 3.14 0.00 0.19 -1.85 120.51 121.24 1npq n ALA 24 Ca 0.05 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.58 1npq n ALA 24 Cb 0.31 0.24 0.49 0.00 0.00 0.00 0.00 19.45 20.49 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 -1.23 2.04 -0.32 0.00 0.00 -1.26 -3.69 120.51 116.05 1npq n ALA 25 Ca 0.00 -0.09 0.36 0.00 0.00 0.00 0.00 53.44 53.70 1npq n ALA 25 Cb 0.00 -1.32 0.73 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.50 0.82 116.94 119.84 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 0.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1npq h PHE 26 CO 0.00 0.00 -0.04 -0.44 -2.23 0.00 0.00 178.31 175.60 1npq h ASP 27 N 0.00 0.00 -0.06 0.41 5.19 -1.70 -3.31 116.42 116.95 1npq h ASP 27 Ca 0.57 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 57.00 1npq h ASP 27 Cb 2.44 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.95 1npq h ASP 27 CO -0.01 0.47 0.06 0.24 -3.12 0.00 0.00 179.24 176.88 1npq h MET 28 N -0.89 0.00 0.00 3.56 2.86 -1.58 -3.16 114.93 115.72 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 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 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 -4.03 0.00 -1.69 -0.22 3.72 0.28 -4.58 117.46 110.93 1npq n PHE 29 Ca -0.02 0.00 -0.55 0.00 -0.05 0.00 0.00 57.45 56.84 1npq n PHE 29 Cb 0.15 -0.34 -0.06 0.00 -0.94 0.00 0.00 39.48 38.29 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 -1.64 2.71 -0.09 4.37 8.00 -1.19 -4.86 116.55 123.84 1npq n ASP 30 Ca 0.00 1.01 -0.17 0.00 0.71 0.00 0.00 54.79 56.34 1npq n ASP 30 Cb 0.00 -1.21 -0.10 0.00 -0.02 0.00 0.00 41.12 39.79 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 8.09 0.17 0.00 2.24 0.00 -1.86 -3.38 119.26 124.52 1npq h ALA 31 Ca -0.46 -0.93 -0.13 0.00 0.00 0.00 0.00 54.91 53.39 1npq h ALA 31 Cb 1.30 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 1npq h ALA 31 CO 0.96 0.52 -0.62 0.38 0.00 0.00 0.00 179.25 180.49 1npq h ASP 32 N -1.00 0.00 -0.84 0.00 2.03 -1.96 -3.48 116.42 111.17 1npq h ASP 32 Ca -0.22 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.01 1npq h ASP 32 Cb 1.08 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.58 1npq h ASP 32 CO -0.13 0.60 -0.10 0.61 -1.03 0.00 0.00 179.24 179.18 1npq n GLY 33 N 1.25 0.34 0.86 7.15 0.00 -1.26 -4.90 105.19 108.63 1npq n GLY 33 Ca 0.01 -0.68 -0.05 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.94 0.20 0.00 -0.02 0.00 -1.26 -5.11 105.19 98.06 1npq n GLY 34 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.01 3.27 1.97 -0.02 0.00 -1.26 -5.19 105.19 103.94 1npq n GLY 35 Ca -0.19 -0.41 -0.04 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.17 -4.69 1.61 8.00 -1.26 -4.93 116.55 114.11 1npq n ASP 36 Ca 0.00 -1.79 -0.36 0.00 0.71 0.00 0.00 54.79 53.35 1npq n ASP 36 Cb 0.00 1.94 -0.08 0.00 -0.02 0.00 0.00 41.12 42.95 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 -2.50 5.33 0.00 0.53 1.01 -0.98 -4.80 121.20 119.79 1npq s ILE 37 Ca 0.09 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.10 1npq s ILE 37 Cb -0.02 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.88 1npq s ILE 37 CO 0.06 0.36 0.00 -0.24 0.00 0.00 0.00 174.94 175.12 1npq n SER 38 N 4.00 1.92 0.26 3.58 2.88 -1.26 -0.29 113.62 124.71 1npq n SER 38 Ca -0.13 -0.43 0.12 0.00 -1.33 0.00 0.00 58.87 57.10 1npq n SER 38 Cb 0.52 0.00 0.71 0.00 -0.75 0.00 0.00 64.21 64.69 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 0.42 0.58 0.18 2.46 1.35 -1.91 -2.40 112.91 113.60 1npq h THR 39 Ca 0.00 -0.56 -0.34 0.00 -0.55 0.00 0.00 66.41 64.96 1npq h THR 39 Cb 0.00 1.36 0.01 0.00 -1.73 0.00 0.00 68.15 67.79 1npq h THR 39 CO 0.00 0.12 -1.69 0.50 -0.25 0.00 0.00 175.52 174.20 1npq h LYS 40 N 0.00 0.39 0.00 4.72 1.63 -1.97 -3.23 116.57 118.11 1npq h LYS 40 Ca -0.00 -0.66 0.00 0.00 -0.85 0.00 0.00 60.65 59.14 1npq h LYS 40 Cb 0.35 0.25 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 1npq h LYS 40 CO 0.02 1.30 0.00 0.93 -3.45 0.00 0.00 179.45 178.24 1npq h GLU 41 N 0.11 0.00 0.00 1.90 5.08 -1.84 -3.12 114.58 116.70 1npq h GLU 41 Ca -0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1npq h GLU 41 Cb 2.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.35 1npq h GLU 41 CO 0.19 0.00 -0.12 1.25 -1.00 0.00 0.00 179.01 179.32 1npq h LEU 42 N 0.00 0.00 -1.84 1.33 7.12 -1.53 -3.35 115.31 117.03 1npq h LEU 42 Ca 0.00 0.00 0.28 0.00 0.13 0.00 0.00 57.88 58.29 1npq h LEU 42 Cb 0.43 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.52 1npq h LEU 42 CO 0.00 0.49 0.81 1.23 -0.13 0.00 0.00 178.44 180.84 1npq h GLY 43 N -0.86 0.00 0.00 3.75 0.00 -1.62 -0.22 103.07 104.13 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 -3.89 0.00 0.27 4.70 -1.04 -1.18 0.43 114.28 113.56 1npq n THR 44 Ca 0.20 1.18 0.13 0.00 -2.04 0.00 0.00 64.05 63.52 1npq n THR 44 Cb 1.13 -2.11 0.74 0.00 -1.82 0.00 0.00 70.33 68.27 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 0.57 0.01 12.58 3.04 -1.64 -1.24 116.25 129.57 1npq h VAL 45 Ca 0.00 -0.48 -0.20 0.00 -1.01 0.00 0.00 66.70 65.01 1npq h VAL 45 Cb 0.00 1.31 -0.01 0.00 -2.01 0.00 0.00 31.29 30.58 1npq h VAL 45 CO 0.00 0.11 -0.91 0.24 -1.01 0.00 0.00 177.57 176.00 1npq h MET 46 N 0.00 0.16 0.00 4.17 2.07 -1.02 -2.87 114.93 117.44 1npq h MET 46 Ca -0.00 -0.19 -0.21 0.00 -2.07 0.00 0.00 59.70 57.23 1npq h MET 46 Cb 0.30 0.06 -0.03 0.00 -1.87 0.00 0.00 31.60 30.06 1npq h MET 46 CO 0.01 0.96 -1.22 0.00 1.07 0.00 0.00 176.91 177.74 1npq h ARG 47 N 0.09 0.00 -0.47 1.72 3.08 0.48 0.28 114.38 119.56 1npq h ARG 47 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1npq h ARG 47 Cb 1.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.60 1npq h ARG 47 CO 0.14 0.59 0.00 0.00 -1.07 0.00 0.00 179.97 179.63 1npq n MET 48 N -3.13 2.10 -0.00 0.04 0.00 -0.51 -4.18 117.12 111.44 1npq n MET 48 Ca -0.07 -1.68 -0.00 0.00 0.00 0.00 0.00 57.70 55.94 1npq n MET 48 Cb 0.91 -1.37 -0.00 0.00 0.00 0.00 0.00 33.22 32.76 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 0.86 2.68 0.00 3.17 4.77 -1.08 -5.03 117.00 122.37 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 0.40 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1npq n LEU 49 CO 0.11 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1npq n GLY 50 N 3.43 0.98 3.75 -0.72 0.00 -1.13 -5.10 105.19 106.40 1npq n GLY 50 Ca -0.01 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 1npq n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1npq s GLN 51 N 0.00 2.05 -0.35 1.61 -1.52 0.99 -4.94 119.66 117.49 1npq s GLN 51 Ca 0.00 1.25 0.15 0.00 -1.95 0.00 0.00 55.36 54.81 1npq s GLN 51 Cb 0.00 -1.87 0.43 0.00 -0.22 0.00 0.00 33.01 31.35 1npq s GLN 51 CO 0.00 -1.81 1.00 -1.71 -0.25 0.00 0.00 175.29 172.51 1npq n ASN 52 N -3.61 0.65 -4.59 5.90 2.85 -1.26 -3.42 115.26 111.78 1npq n ASN 52 Ca 0.10 -2.74 -0.42 0.00 -0.11 0.00 0.00 54.58 51.40 1npq n ASN 52 Cb 0.53 -0.19 -0.02 0.00 1.24 0.00 0.00 39.78 41.33 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 -2.34 3.40 1.08 1.20 0.04 -1.26 -5.00 135.00 132.12 1npq s PRO 53 Ca 0.28 0.83 -0.18 0.00 0.04 0.00 0.00 61.00 61.97 1npq s PRO 53 Cb 0.43 -4.10 0.28 0.00 0.04 0.00 0.00 34.50 31.14 1npq s PRO 53 CO -0.00 -1.79 0.62 2.41 0.04 0.00 0.00 177.00 178.28 1npq n THR 54 N 7.07 0.00 0.12 1.26 -1.04 -1.26 -4.42 114.28 116.02 1npq n THR 54 Ca 0.16 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.05 1npq n THR 54 Cb 0.48 -0.71 -0.06 0.00 -1.82 0.00 0.00 70.33 68.23 1npq n THR 54 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1npq h LYS 55 N 0.00 -0.37 -0.19 -2.82 1.57 -1.95 -1.63 116.57 111.18 1npq h LYS 55 Ca -0.28 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1npq h LYS 55 Cb 0.95 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 1npq h LYS 55 CO 0.17 -0.25 0.07 0.00 -0.57 0.00 0.00 179.45 178.87 1npq h GLU 57 N 0.27 -1.23 -0.06 0.00 4.22 -1.63 0.01 114.58 116.16 1npq h GLU 57 Ca 0.07 0.08 -0.08 0.00 0.08 0.00 0.00 59.36 59.51 1npq h GLU 57 Cb 0.08 0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1npq h GLU 57 CO -0.01 -0.82 -0.35 -0.07 -2.18 0.00 0.00 179.01 175.58 1npq h LEU 58 N -1.29 0.11 -1.52 1.64 3.38 -1.18 -2.40 115.31 114.04 1npq h LEU 58 Ca -0.13 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1npq h LEU 58 Cb 0.98 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1npq h LEU 58 CO 0.21 0.46 -0.24 0.44 0.09 0.00 0.00 178.44 179.41 1npq h ASP 59 N 0.10 0.00 0.71 -0.43 3.32 -0.53 -0.15 116.42 119.45 1npq h ASP 59 Ca 0.01 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.89 1npq h ASP 59 Cb 0.67 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 1npq h ASP 59 CO 0.05 0.24 -0.81 0.00 -1.72 0.00 0.00 179.24 177.00 1npq h ALA 60 N 1.76 0.66 0.00 3.45 0.00 -0.46 -2.85 119.26 121.82 1npq h ALA 60 Ca -0.00 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.20 1npq h ALA 60 Cb 0.52 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1npq h ALA 60 CO 0.03 0.95 -0.00 0.82 0.00 0.00 0.00 179.25 181.05 1npq h ILE 61 N 0.04 0.15 -0.81 0.00 5.03 -1.33 -3.24 117.51 117.36 1npq h ILE 61 Ca -0.02 -1.11 0.19 0.00 -0.12 0.00 0.00 64.86 63.80 1npq h ILE 61 Cb 1.41 0.28 -0.14 0.00 -3.03 0.00 0.00 36.82 35.34 1npq h ILE 61 CO 0.11 0.05 0.00 0.40 -0.68 0.00 0.00 178.15 178.04 1npq h ILE 62 N -1.00 0.28 -0.62 -0.67 2.04 -1.17 1.15 117.51 117.52 1npq h ILE 62 Ca -0.00 -0.03 0.10 0.00 1.00 0.00 0.00 64.86 65.93 1npq h ILE 62 Cb 0.09 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.31 1npq h ILE 62 CO -0.00 0.02 0.41 0.00 0.00 0.00 0.00 178.15 178.58 1npq h GLU 64 N 0.43 0.22 -0.19 0.00 4.39 0.86 -3.34 114.58 116.94 1npq h GLU 64 Ca 0.29 -0.37 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 1npq h GLU 64 Cb 0.55 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1npq h GLU 64 CO -0.08 1.08 0.01 0.28 -1.16 0.00 0.00 179.01 179.14 1npq h VAL 65 N 0.06 1.24 -2.10 3.13 2.07 0.23 -3.39 116.25 117.50 1npq h VAL 65 Ca -0.22 -0.81 -0.55 0.00 0.82 0.00 0.00 66.70 65.94 1npq h VAL 65 Cb 1.99 1.41 -0.08 0.00 -1.52 0.00 0.00 31.29 33.09 1npq h VAL 65 CO 0.16 0.25 1.15 -1.81 0.02 0.00 0.00 177.57 177.33 1npq s ASP 66 N -5.80 6.23 0.33 0.57 1.11 0.21 -4.83 116.67 114.50 1npq s ASP 66 Ca -0.14 -0.67 0.17 0.00 0.18 0.00 0.00 52.55 52.10 1npq s ASP 66 Cb 0.06 -2.56 0.38 0.00 1.07 0.00 0.00 42.92 41.88 1npq s ASP 66 CO 0.72 -1.77 1.59 -0.33 1.18 0.00 0.00 175.17 176.57 1npq h GLU 67 N 9.98 0.00 0.00 8.23 3.07 -1.83 -3.19 114.58 130.84 1npq h GLU 67 Ca -0.18 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 58.44 1npq h GLU 67 Cb 1.04 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.91 1npq h GLU 67 CO 1.31 0.44 -1.34 0.38 -1.40 0.00 0.00 179.01 178.40 1npq h ASP 68 N 0.00 0.00 -0.22 1.42 2.03 -1.95 -3.49 116.42 114.22 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 1.15 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.65 1npq h ASP 68 CO 0.06 0.98 0.00 0.61 -1.03 0.00 0.00 179.24 179.86 1npq n GLY 69 N 1.45 0.50 0.01 7.15 0.00 -1.21 -5.03 105.19 108.06 1npq n GLY 69 Ca -0.08 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.10 2.35 0.00 1.61 3.41 -1.26 -4.99 113.62 114.63 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 0.06 1.40 0.00 0.00 -0.26 0.00 0.00 64.21 65.41 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 1.93 0.52 3.35 5.00 0.00 -1.26 -4.99 105.19 109.73 1npq n GLY 71 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.38 2.22 -0.29 2.61 -4.23 -1.26 -4.50 115.64 107.81 1npq s THR 72 Ca 0.00 -1.17 -0.13 0.00 -1.18 0.00 0.00 61.69 59.21 1npq s THR 72 Cb 0.00 -1.82 -0.04 0.00 1.34 0.00 0.00 72.50 71.98 1npq s THR 72 CO 0.00 0.49 0.26 -0.63 -0.54 0.00 0.00 174.62 174.20 1npq s ILE 73 N -0.71 5.26 0.00 2.99 1.01 0.61 -4.81 121.20 125.55 1npq s ILE 73 Ca 0.11 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.97 1npq s ILE 73 Cb -0.10 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.75 1npq s ILE 73 CO 0.01 0.16 0.00 0.47 0.00 0.00 0.00 174.94 175.58 1npq n ASP 74 N 5.16 -0.65 0.00 3.58 8.00 -1.26 -2.31 116.55 129.07 1npq n ASP 74 Ca -0.12 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 54.85 1npq n ASP 74 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 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 -2.09 0.00 0.24 1.24 3.01 -1.26 -3.15 117.46 115.45 1npq n PHE 75 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.53 1npq n PHE 75 Cb 0.00 -0.10 0.57 0.00 -0.01 0.00 0.00 39.48 39.94 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 -0.55 -1.08 3.07 -1.95 -2.36 114.58 111.70 1npq h GLU 76 Ca 0.00 0.00 0.16 0.00 -0.50 0.00 0.00 59.36 59.02 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 0.14 0.58 0.93 -1.40 0.00 0.00 179.01 179.25 1npq h GLU 77 N 0.00 0.00 0.00 2.33 5.08 -1.84 0.60 114.58 120.75 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 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1npq h GLU 77 CO 0.02 0.00 0.00 0.34 -1.00 0.00 0.00 179.01 178.37 1npq n PHE 78 N -3.69 0.58 -0.09 4.33 7.35 -0.89 -1.13 117.46 123.92 1npq n PHE 78 Ca 0.11 0.27 -0.23 0.00 -0.76 0.00 0.00 57.45 56.84 1npq n PHE 78 Cb 0.79 -0.93 -0.12 0.00 0.35 0.00 0.00 39.48 39.57 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 -2.07 2.37 -0.10 -2.13 4.32 0.21 -4.32 117.00 115.28 1npq n LEU 79 Ca 0.00 0.20 0.01 0.00 -0.02 0.00 0.00 56.01 56.20 1npq n LEU 79 Cb 0.11 -0.95 0.30 0.00 -1.62 0.00 0.00 43.42 41.26 1npq n LEU 79 CO 0.12 0.67 1.12 0.58 -1.22 0.00 0.00 177.39 178.67 1npq h VAL 80 N -0.48 1.17 -0.99 4.08 2.07 -1.43 0.11 116.25 120.78 1npq h VAL 80 Ca -0.53 -0.45 0.26 0.00 0.82 0.00 0.00 66.70 66.81 1npq h VAL 80 Cb 1.72 0.44 -0.13 0.00 -1.52 0.00 0.00 31.29 31.81 1npq h VAL 80 CO -0.17 0.19 0.57 0.00 0.02 0.00 0.00 177.57 178.18 1npq h MET 81 N 0.76 0.49 0.02 1.57 -0.00 -1.32 0.65 114.93 117.11 1npq h MET 81 Ca 0.19 -0.03 -0.33 0.00 -0.00 0.00 0.00 59.70 59.53 1npq h MET 81 Cb 0.04 -0.11 -0.05 0.00 -0.00 0.00 0.00 31.60 31.48 1npq h MET 81 CO -0.03 0.32 -1.98 -1.33 -0.00 0.00 0.00 176.91 173.89 1npq n MET 82 N -4.94 0.67 0.04 -0.10 2.00 -0.82 -3.97 117.12 109.99 1npq n MET 82 Ca 0.28 0.21 0.13 0.00 0.00 0.00 0.00 57.70 58.31 1npq n MET 82 Cb 0.79 -1.69 0.59 0.00 0.00 0.00 0.00 33.22 32.91 1npq n MET 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1npq h VAL 83 N 0.01 0.89 0.00 2.03 2.07 0.79 0.37 116.25 122.41 1npq h VAL 83 Ca -0.40 -0.06 -0.12 0.00 0.82 0.00 0.00 66.70 66.94 1npq h VAL 83 Cb 2.07 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.51 1npq h VAL 83 CO 0.06 0.03 -0.58 0.03 0.02 0.00 0.00 177.57 177.13 1npq h ARG 84 N 0.18 0.00 -0.59 1.57 3.08 -1.10 -2.31 114.38 115.22 1npq h ARG 84 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1npq h ARG 84 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1npq h ARG 84 CO -0.03 0.58 0.00 1.04 -1.07 0.00 0.00 179.97 180.49 1npq n GLN 85 N -3.34 3.26 -0.03 0.04 1.13 0.29 -3.73 117.38 115.00 1npq n GLN 85 Ca 0.01 -2.68 -0.05 0.00 -1.94 0.00 0.00 57.00 52.34 1npq n GLN 85 Cb 0.72 -1.69 -0.02 0.00 0.11 0.00 0.00 30.24 29.35 1npq n GLN 85 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1npq n MET 86 N 1.04 0.12 -3.17 -1.09 2.81 0.10 -4.88 117.12 112.05 1npq n MET 86 Ca 0.23 0.04 -0.20 0.00 -1.81 0.00 0.00 57.70 55.95 1npq n MET 86 Cb 0.74 -0.88 -0.04 0.00 -0.71 0.00 0.00 33.22 32.33 1npq n MET 86 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1npq n LYS 87 N -2.97 1.24 -1.57 0.03 0.00 -0.88 -5.08 118.16 108.95 1npq n LYS 87 Ca -0.10 -3.57 -0.30 0.00 -0.00 0.00 0.00 58.31 54.35 1npq n LYS 87 Cb 0.59 -1.71 0.10 0.00 -0.00 0.00 0.00 35.03 34.00 1npq n LYS 87 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1npq s GLU 88 N -2.36 1.88 0.64 -1.58 2.12 -1.24 -4.88 118.70 113.28 1npq s GLU 88 Ca 0.40 0.53 0.00 0.00 0.36 0.00 0.00 54.97 56.27 1npq s GLU 88 Cb 0.31 -1.90 0.00 0.00 0.26 0.00 0.00 34.13 32.79 1npq s GLU 88 CO -0.09 -1.74 0.00 -3.47 -0.54 0.00 0.00 175.26 169.42 1npq n ASP 89 N -3.49 -8.06 0.00 -1.70 -0.08 -1.26 -5.12 116.55 96.84 1npq n ASP 89 Ca 0.07 1.54 0.00 0.00 -1.51 0.00 0.00 54.79 54.89 1npq n ASP 89 Cb 0.57 -5.10 0.00 0.00 2.34 0.00 0.00 41.12 38.94 1npq n ASP 89 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32