#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 3.82 0.00 0.00 0.01 -1.26 -4.92 113.70 111.36 1npq s SER 2 Ca 0.00 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.95 1npq s SER 2 Cb 0.00 -1.14 0.00 0.00 0.21 0.00 0.00 66.02 65.09 1npq s SER 2 CO 0.00 0.26 0.00 0.23 0.41 0.00 0.00 173.24 174.14 1npq n MET 3 N 2.90 0.00 -3.52 12.44 2.00 -1.26 -5.13 117.12 124.55 1npq n MET 3 Ca -0.18 0.00 -0.00 0.00 0.00 0.00 0.00 57.70 57.52 1npq n MET 3 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.70 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 -1.50 -0.57 -1.82 2.03 -1.32 -1.26 -5.02 115.64 106.19 1npq s THR 4 Ca 0.00 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 60.76 1npq s THR 4 Cb 0.00 -1.00 0.70 0.00 -1.51 0.00 0.00 72.50 70.69 1npq s THR 4 CO 0.00 0.00 2.00 -0.90 -2.21 0.00 0.00 174.62 173.51 1npq n ASP 5 N 4.93 0.00 -0.05 8.08 5.68 -1.26 -3.69 116.55 130.24 1npq n ASP 5 Ca -0.12 -0.63 0.24 0.00 -0.50 0.00 0.00 54.79 53.78 1npq n ASP 5 Cb 0.52 -0.09 0.72 0.00 -1.14 0.00 0.00 41.12 41.13 1npq n ASP 5 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 1npq h GLN 6 N 0.00 0.00 0.00 0.11 3.07 -2.01 0.92 115.11 117.20 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 0.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.64 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 -4.10 0.14 -0.11 0.06 6.02 -1.24 -2.90 117.38 115.24 1npq n GLN 7 Ca 0.13 0.27 -0.22 0.00 -0.01 0.00 0.00 57.00 57.17 1npq n GLN 7 Cb 0.78 -1.72 -0.11 0.00 1.02 0.00 0.00 30.24 30.21 1npq n GLN 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1npq n ALA 8 N -1.67 0.80 -0.31 -1.58 0.00 0.32 -4.21 120.51 113.84 1npq n ALA 8 Ca 0.04 -0.50 0.05 0.00 0.00 0.00 0.00 53.44 53.03 1npq n ALA 8 Cb 0.28 -0.54 0.20 0.00 0.00 0.00 0.00 19.45 19.39 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 0.79 -0.59 0.00 5.08 -1.53 -2.64 114.58 114.69 1npq h GLU 9 Ca -0.36 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.01 1npq h GLU 9 Cb 1.32 -0.18 -0.09 0.00 0.50 0.00 0.00 28.75 30.30 1npq h GLU 9 CO -0.22 0.52 -0.51 0.00 -1.00 0.00 0.00 179.01 177.81 1npq h ALA 10 N 1.50 -0.62 -0.49 3.43 0.00 -1.71 1.30 119.26 122.68 1npq h ALA 10 Ca 0.44 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.54 1npq h ALA 10 Cb 0.47 1.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 1npq h ALA 10 CO -0.28 -0.92 0.50 -0.09 0.00 0.00 0.00 179.25 178.46 1npq h ARG 11 N -0.20 0.00 0.00 0.00 2.43 -1.64 0.53 114.38 115.50 1npq h ARG 11 Ca 0.10 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1npq h ARG 11 Cb 0.45 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1npq h ARG 11 CO -0.66 0.00 -1.32 0.00 -1.51 0.00 0.00 179.97 176.48 1npq n ALA 12 N -2.37 2.52 0.09 2.80 0.00 0.26 -4.08 120.51 119.72 1npq n ALA 12 Ca 0.09 -0.36 -0.01 0.00 0.00 0.00 0.00 53.44 53.17 1npq n ALA 12 Cb 0.70 -0.99 0.27 0.00 0.00 0.00 0.00 19.45 19.43 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 0.31 -1.86 0.00 3.57 0.66 -3.44 116.94 116.17 1npq h PHE 13 Ca -0.03 -0.07 -0.50 0.00 3.53 0.00 0.00 57.97 60.91 1npq h PHE 13 Cb 1.08 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.70 1npq h PHE 13 CO 0.00 0.55 -0.46 -0.51 -2.23 0.00 0.00 178.31 175.66 1npq s LEU 14 N -8.46 3.55 0.60 0.59 1.43 -1.06 -5.08 118.68 110.25 1npq s LEU 14 Ca -0.05 -0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 52.42 1npq s LEU 14 Cb 0.14 -2.14 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1npq s LEU 14 CO 0.76 -0.34 0.99 -0.55 0.23 0.00 0.00 176.35 177.45 1npq s SER 15 N -3.97 6.17 0.57 2.29 0.15 -1.26 -4.90 113.70 112.75 1npq s SER 15 Ca 0.40 1.31 0.31 0.00 0.70 0.00 0.00 55.95 58.68 1npq s SER 15 Cb -0.05 -2.39 1.44 0.00 -1.71 0.00 0.00 66.02 63.31 1npq s SER 15 CO 0.26 -0.86 1.81 -0.33 1.20 0.00 0.00 173.24 175.32 1npq h GLU 16 N -0.26 0.00 0.56 5.44 5.08 -1.98 -1.12 114.58 122.31 1npq h GLU 16 Ca -0.45 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.89 1npq h GLU 16 Cb 1.20 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.45 1npq h GLU 16 CO 0.62 0.00 -0.27 0.93 -1.00 0.00 0.00 179.01 179.29 1npq h GLU 17 N 0.00 -0.73 -0.25 2.33 4.39 -1.99 -1.10 114.58 117.23 1npq h GLU 17 Ca 0.38 0.05 0.07 0.00 0.34 0.00 0.00 59.36 60.20 1npq h GLU 17 Cb 1.76 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 30.56 1npq h GLU 17 CO -0.00 -0.49 0.39 1.98 -1.16 0.00 0.00 179.01 179.73 1npq h MET 18 N -0.87 0.00 0.23 2.33 4.05 -1.59 -1.90 114.93 117.19 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 0.58 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.38 1npq h MET 18 CO 0.13 0.00 -0.11 0.82 0.23 0.00 0.00 176.91 177.97 1npq h ILE 19 N 0.00 0.00 -0.31 1.77 2.04 -1.19 -1.53 117.51 118.30 1npq h ILE 19 Ca 0.12 -0.75 0.09 0.00 1.00 0.00 0.00 64.86 65.32 1npq h ILE 19 Cb 0.90 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1npq h ILE 19 CO -0.00 0.00 0.41 0.00 0.00 0.00 0.00 178.15 178.56 1npq h ALA 20 N -1.11 1.93 0.07 1.87 0.00 -0.53 0.24 119.26 121.74 1npq h ALA 20 Ca -0.03 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.57 1npq h ALA 20 Cb 0.24 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1npq h ALA 20 CO 0.05 -0.57 -1.60 0.93 0.00 0.00 0.00 179.25 178.06 1npq h GLU 21 N 0.00 0.15 -0.39 0.00 5.08 -1.42 -3.31 114.58 114.70 1npq h GLU 21 Ca 0.15 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1npq h GLU 21 Cb 0.97 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1npq h GLU 21 CO -0.00 0.93 0.12 0.35 -1.00 0.00 0.00 179.01 179.41 1npq h PHE 22 N 0.04 0.56 0.00 4.33 3.04 0.54 0.02 116.94 125.46 1npq h PHE 22 Ca -0.26 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.66 1npq h PHE 22 Cb 1.99 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 40.33 1npq h PHE 22 CO 0.04 0.47 0.00 -0.22 -2.02 0.00 0.00 178.31 176.58 1npq h LYS 23 N 0.55 0.00 0.00 1.11 1.63 -1.45 -3.31 116.57 115.10 1npq h LYS 23 Ca 0.13 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 1npq h LYS 23 Cb 0.17 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1npq h LYS 23 CO -0.01 0.00 0.00 0.00 -3.45 0.00 0.00 179.45 175.99 1npq n ALA 24 N -1.97 -0.18 0.34 5.00 0.00 -0.01 -1.41 120.51 122.28 1npq n ALA 24 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.51 1npq n ALA 24 Cb 0.30 0.28 0.23 0.00 0.00 0.00 0.00 19.45 20.26 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 -2.43 1.45 -0.17 0.00 0.00 -1.25 -3.10 120.51 115.01 1npq n ALA 25 Ca 0.00 -0.02 0.29 0.00 0.00 0.00 0.00 53.44 53.71 1npq n ALA 25 Cb 0.00 -1.17 0.72 0.00 0.00 0.00 0.00 19.45 19.00 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 0.15 0.00 3.57 -1.32 0.88 116.94 120.22 1npq h PHE 26 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1npq h PHE 26 Cb 0.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1npq h PHE 26 CO 0.00 0.00 -0.07 -0.44 -2.23 0.00 0.00 178.31 175.57 1npq h ASP 27 N 0.00 -0.18 0.09 0.41 3.32 -1.66 -3.23 116.42 115.17 1npq h ASP 27 Ca 0.43 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.46 1npq h ASP 27 Cb 1.85 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 41.44 1npq h ASP 27 CO -0.00 0.26 -0.08 0.24 -1.72 0.00 0.00 179.24 177.94 1npq h MET 28 N -0.98 0.00 0.34 3.56 2.86 -1.59 -3.08 114.93 116.03 1npq h MET 28 Ca -0.02 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1npq h MET 28 Cb 0.16 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1npq h MET 28 CO 0.03 0.08 -0.32 0.74 1.06 0.00 0.00 176.91 178.51 1npq h PHE 29 N 0.00 -0.87 -2.66 -0.22 0.04 0.66 -3.40 116.94 110.49 1npq h PHE 29 Ca -0.00 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.22 1npq h PHE 29 Cb 0.15 0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 1npq h PHE 29 CO 0.00 -0.43 1.06 -0.51 -0.60 0.00 0.00 178.31 177.84 1npq s ASP 30 N -3.53 6.69 -0.20 2.17 1.01 -1.17 -4.71 116.67 116.93 1npq s ASP 30 Ca -0.11 2.12 -0.21 0.00 0.71 0.00 0.00 52.55 55.05 1npq s ASP 30 Cb 0.03 -2.53 -0.18 0.00 1.01 0.00 0.00 42.92 41.24 1npq s ASP 30 CO 0.37 -0.92 0.21 0.00 0.21 0.00 0.00 175.17 175.05 1npq h ALA 31 N 9.41 0.23 0.00 5.23 0.00 -1.84 -3.40 119.26 128.89 1npq h ALA 31 Ca -0.37 -1.12 -0.22 0.00 0.00 0.00 0.00 54.91 53.20 1npq h ALA 31 Cb 1.16 0.68 -0.04 0.00 0.00 0.00 0.00 17.79 19.60 1npq h ALA 31 CO 0.96 0.65 -1.42 0.38 0.00 0.00 0.00 179.25 179.81 1npq h ASP 32 N -1.00 0.00 -4.16 0.00 2.03 -1.96 -3.50 116.42 107.83 1npq h ASP 32 Ca -0.31 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 1npq h ASP 32 Cb 1.23 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.71 1npq h ASP 32 CO -0.18 0.78 -0.63 0.61 -1.03 0.00 0.00 179.24 178.79 1npq n GLY 33 N 1.44 -3.80 0.00 7.15 0.00 -1.26 -4.94 105.19 103.78 1npq n GLY 33 Ca -0.11 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 0.52 0.40 0.00 -0.02 0.00 -1.26 -5.11 105.19 99.73 1npq n GLY 34 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.49 2.06 -0.02 0.00 -1.26 -5.16 105.19 101.30 1npq n GLY 35 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.87 -4.60 1.61 8.00 -1.26 -4.92 116.55 114.51 1npq n ASP 36 Ca 0.00 -2.14 -0.41 0.00 0.71 0.00 0.00 54.79 52.95 1npq n ASP 36 Cb 0.00 1.60 -0.07 0.00 -0.02 0.00 0.00 41.12 42.63 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 -2.65 4.97 0.00 0.53 1.01 -1.07 -4.82 121.20 119.16 1npq s ILE 37 Ca 0.17 0.81 0.00 0.00 0.00 0.00 0.00 60.65 61.63 1npq s ILE 37 Cb -0.01 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.50 1npq s ILE 37 CO 0.12 -0.10 0.00 -0.24 0.00 0.00 0.00 174.94 174.72 1npq n SER 38 N 5.80 0.00 -0.07 3.58 2.88 -1.26 -1.91 113.62 122.64 1npq n SER 38 Ca -0.02 -0.44 -0.12 0.00 -1.33 0.00 0.00 58.87 56.96 1npq n SER 38 Cb 0.49 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.89 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 -0.09 1.31 0.00 2.46 1.35 -1.94 -2.89 112.91 113.11 1npq h THR 39 Ca 0.00 -1.17 -0.08 0.00 -0.55 0.00 0.00 66.41 64.61 1npq h THR 39 Cb 0.00 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 68.06 1npq h THR 39 CO 0.00 0.35 -0.36 0.50 -0.25 0.00 0.00 175.52 175.76 1npq h LYS 40 N 0.12 0.00 0.00 4.72 3.64 -1.99 -2.51 116.57 120.55 1npq h LYS 40 Ca 0.04 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 1npq h LYS 40 Cb 0.59 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1npq h LYS 40 CO 0.03 0.36 -0.29 0.93 -2.27 0.00 0.00 179.45 178.21 1npq h GLU 41 N 0.00 0.00 0.00 1.90 5.08 -1.82 -2.81 114.58 116.94 1npq h GLU 41 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1npq h GLU 41 Cb 0.66 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1npq h GLU 41 CO 0.05 0.29 -0.22 1.25 -1.00 0.00 0.00 179.01 179.38 1npq h LEU 42 N 0.00 0.00 -1.98 1.33 7.12 -1.25 -3.35 115.31 117.18 1npq h LEU 42 Ca -0.00 -0.27 0.13 0.00 0.13 0.00 0.00 57.88 57.86 1npq h LEU 42 Cb 0.73 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.84 1npq h LEU 42 CO 0.04 0.76 0.45 1.23 -0.13 0.00 0.00 178.44 180.78 1npq h GLY 43 N -1.00 0.00 0.00 3.75 0.00 -1.55 -2.06 103.07 102.21 1npq h GLY 43 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1npq h GLY 43 CO -0.02 0.00 0.00 2.41 0.00 0.00 0.00 176.54 178.93 1npq n THR 44 N -3.78 0.00 0.14 4.70 -1.04 -1.06 0.71 114.28 113.96 1npq n THR 44 Ca 0.08 1.03 0.18 0.00 -2.04 0.00 0.00 64.05 63.30 1npq n THR 44 Cb 0.63 -1.98 0.78 0.00 -1.82 0.00 0.00 70.33 67.94 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 0.50 0.00 12.58 3.04 -1.69 0.64 116.25 131.32 1npq h VAL 45 Ca 0.00 0.00 -0.20 0.00 -1.01 0.00 0.00 66.70 65.49 1npq h VAL 45 Cb 0.00 0.77 -0.03 0.00 -2.01 0.00 0.00 31.29 30.02 1npq h VAL 45 CO 0.00 0.00 -0.95 0.24 -1.01 0.00 0.00 177.57 175.85 1npq h MET 46 N 0.00 0.00 0.00 4.17 2.07 -1.32 -2.50 114.93 117.35 1npq h MET 46 Ca 0.14 0.00 -0.17 0.00 -2.07 0.00 0.00 59.70 57.60 1npq h MET 46 Cb 0.72 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.43 1npq h MET 46 CO -0.00 0.95 -1.20 0.00 1.07 0.00 0.00 176.91 177.73 1npq h ARG 47 N 0.00 0.00 0.00 1.72 3.08 0.24 0.17 114.38 119.58 1npq h ARG 47 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1npq h ARG 47 Cb 1.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.76 1npq h ARG 47 CO 0.12 0.41 -0.60 0.00 -1.07 0.00 0.00 179.97 178.83 1npq n MET 48 N -3.01 0.12 -0.12 0.04 0.00 -0.06 -4.30 117.12 109.79 1npq n MET 48 Ca -0.07 0.02 -0.26 0.00 0.00 0.00 0.00 57.70 57.40 1npq n MET 48 Cb 0.84 -1.57 -0.11 0.00 0.00 0.00 0.00 33.22 32.39 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 -1.73 1.91 0.00 3.17 4.77 -0.94 -5.02 117.00 119.15 1npq n LEU 49 Ca 0.04 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1npq n LEU 49 Cb 0.38 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 1npq n LEU 49 CO 0.36 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 1npq n GLY 50 N 1.35 0.33 3.72 -0.72 0.00 -1.15 -5.10 105.19 103.61 1npq n GLY 50 Ca -0.43 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 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 1.54 -0.36 1.61 2.00 0.57 -4.95 119.66 120.07 1npq s GLN 51 Ca 0.00 1.10 0.13 0.00 -2.00 0.00 0.00 55.36 54.59 1npq s GLN 51 Cb 0.00 -1.82 0.39 0.00 0.80 0.00 0.00 33.01 32.38 1npq s GLN 51 CO 0.00 -2.12 0.92 0.27 -0.50 0.00 0.00 175.29 173.86 1npq n ASN 52 N -3.84 0.44 -4.59 6.67 6.94 -1.26 -3.62 115.26 116.00 1npq n ASN 52 Ca 0.09 -2.91 -0.42 0.00 -0.02 0.00 0.00 54.58 51.32 1npq n ASN 52 Cb 0.54 -0.14 -0.03 0.00 -2.36 0.00 0.00 39.78 37.79 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 1.13 -0.53 0.04 -1.26 -4.97 135.00 130.45 1npq s PRO 53 Ca 0.31 1.31 -0.18 0.00 0.04 0.00 0.00 61.00 62.48 1npq s PRO 53 Cb 0.39 -4.24 0.14 0.00 0.04 0.00 0.00 34.50 30.83 1npq s PRO 53 CO -0.03 -2.05 0.12 0.25 0.04 0.00 0.00 177.00 175.33 1npq n THR 54 N 7.41 0.00 0.18 1.26 -2.24 -1.26 -4.44 114.28 115.19 1npq n THR 54 Ca 0.23 -0.26 -0.15 0.00 -2.27 0.00 0.00 64.05 61.60 1npq n THR 54 Cb 0.48 -0.62 -0.07 0.00 -2.10 0.00 0.00 70.33 68.01 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 -2.27 -0.66 -0.25 -0.78 1.57 -2.00 -1.26 116.57 110.92 1npq h LYS 55 Ca -0.50 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.36 1npq h LYS 55 Cb 1.28 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.73 1npq h LYS 55 CO 0.35 -0.44 0.17 0.00 -0.57 0.00 0.00 179.45 178.97 1npq h GLU 57 N 0.20 -0.76 -0.05 0.00 4.81 -1.56 0.32 114.58 117.54 1npq h GLU 57 Ca 0.11 0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1npq h GLU 57 Cb 0.19 0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 1npq h GLU 57 CO -0.02 -0.50 0.01 -0.07 -0.73 0.00 0.00 179.01 177.70 1npq h LEU 58 N -0.79 0.05 -0.89 1.64 3.38 -1.15 -0.14 115.31 117.42 1npq h LEU 58 Ca -0.07 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1npq h LEU 58 Cb 0.62 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1npq h LEU 58 CO 0.09 0.06 -0.41 -0.78 0.09 0.00 0.00 178.44 177.49 1npq h ASP 59 N 0.06 0.00 0.82 -0.43 1.82 -0.91 -1.20 116.42 116.58 1npq h ASP 59 Ca 0.02 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.49 1npq h ASP 59 Cb 0.02 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.01 1npq h ASP 59 CO -0.00 0.41 -0.79 0.00 -1.61 0.00 0.00 179.24 177.24 1npq h ALA 60 N 1.59 0.68 0.00 -0.78 0.00 0.15 -2.87 119.26 118.03 1npq h ALA 60 Ca -0.00 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1npq h ALA 60 Cb 0.93 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1npq h ALA 60 CO 0.05 0.99 -0.02 0.82 0.00 0.00 0.00 179.25 181.09 1npq h ILE 61 N 0.00 0.00 -0.83 0.00 5.03 -1.23 -3.26 117.51 117.21 1npq h ILE 61 Ca -0.01 -0.93 0.20 0.00 -0.12 0.00 0.00 64.86 64.01 1npq h ILE 61 Cb 1.42 0.00 -0.15 0.00 -3.03 0.00 0.00 36.82 35.06 1npq h ILE 61 CO 0.10 0.00 0.03 0.40 -0.68 0.00 0.00 178.15 178.00 1npq h ILE 62 N -0.93 0.25 -0.90 -0.67 2.04 -1.36 1.12 117.51 117.07 1npq h ILE 62 Ca 0.00 -0.03 0.15 0.00 1.00 0.00 0.00 64.86 65.98 1npq h ILE 62 Cb 0.02 0.15 -0.07 0.00 -0.74 0.00 0.00 36.82 36.18 1npq h ILE 62 CO 0.00 0.02 0.58 0.00 0.00 0.00 0.00 178.15 178.75 1npq h GLU 64 N 0.66 0.15 -0.55 0.00 5.08 0.72 -3.30 114.58 117.34 1npq h GLU 64 Ca 0.46 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 1npq h GLU 64 Cb 0.79 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1npq h GLU 64 CO -0.21 1.01 0.11 0.28 -1.00 0.00 0.00 179.01 179.19 1npq h VAL 65 N 0.04 1.23 -3.58 3.13 2.07 0.30 -3.40 116.25 116.05 1npq h VAL 65 Ca -0.17 -0.88 -0.64 0.00 0.82 0.00 0.00 66.70 65.82 1npq h VAL 65 Cb 1.95 0.70 -0.14 0.00 -1.52 0.00 0.00 31.29 32.27 1npq h VAL 65 CO 0.15 0.32 0.10 -1.81 0.02 0.00 0.00 177.57 176.35 1npq s ASP 66 N -6.58 6.36 -0.35 0.57 1.11 0.21 -4.80 116.67 113.19 1npq s ASP 66 Ca -0.10 -0.10 0.07 0.00 0.18 0.00 0.00 52.55 52.61 1npq s ASP 66 Cb 0.15 -2.31 0.68 0.00 1.07 0.00 0.00 42.92 42.51 1npq s ASP 66 CO 0.81 -0.65 1.79 -0.62 1.18 0.00 0.00 175.17 177.67 1npq n GLU 67 N 6.08 3.07 -0.61 8.23 -0.58 -1.26 -4.05 120.64 131.53 1npq n GLU 67 Ca -0.02 -2.86 -0.00 0.00 -0.42 0.00 0.00 57.16 53.86 1npq n GLU 67 Cb 0.48 -2.14 -0.00 0.00 -0.57 0.00 0.00 31.44 29.21 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 -0.45 0.03 -3.71 1.62 5.75 -1.26 -5.03 116.55 113.50 1npq n ASP 68 Ca 0.45 -1.65 -0.23 0.00 -0.01 0.00 0.00 54.79 53.35 1npq n ASP 68 Cb 1.43 -0.11 0.03 0.00 -1.03 0.00 0.00 41.12 41.44 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 0.04 -0.39 0.02 6.12 0.00 -1.26 -4.90 105.19 104.82 1npq n GLY 69 Ca -0.01 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.01 3.38 -0.78 1.61 3.41 -1.26 -5.00 113.62 111.97 1npq n SER 70 Ca -0.27 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.24 1npq n SER 70 Cb 0.67 1.00 -0.04 0.00 -0.26 0.00 0.00 64.21 65.57 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 2.34 1.05 3.20 5.00 0.00 -1.26 -4.97 105.19 110.55 1npq n GLY 71 Ca -0.06 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.05 1.52 -0.34 2.61 -4.23 -1.26 -4.57 115.64 107.32 1npq s THR 72 Ca 0.00 -0.83 -0.17 0.00 -1.18 0.00 0.00 61.69 59.52 1npq s THR 72 Cb 0.00 -1.27 -0.01 0.00 1.34 0.00 0.00 72.50 72.57 1npq s THR 72 CO 0.00 0.43 0.44 -0.63 -0.54 0.00 0.00 174.62 174.32 1npq s ILE 73 N -0.46 5.09 0.00 2.99 1.01 -0.80 -4.75 121.20 124.29 1npq s ILE 73 Ca 0.07 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.94 1npq s ILE 73 Cb -0.07 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.51 1npq s ILE 73 CO -0.01 -0.14 0.00 -0.67 0.00 0.00 0.00 174.94 174.12 1npq n ASP 74 N 5.55 -0.75 0.00 3.58 2.03 -1.26 -2.61 116.55 123.09 1npq n ASP 74 Ca -0.07 -0.29 0.00 0.00 0.52 0.00 0.00 54.79 54.95 1npq n ASP 74 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 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 -1.89 0.00 0.33 -0.67 3.72 -1.26 -3.41 117.46 114.29 1npq n PHE 75 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 1npq n PHE 75 Cb 0.00 0.00 0.49 0.00 -0.94 0.00 0.00 39.48 39.03 1npq n PHE 75 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1npq n GLU 76 N -0.30 0.16 0.31 -1.08 0.00 -1.26 -2.54 120.64 115.94 1npq n GLU 76 Ca 0.00 0.47 0.19 0.00 0.00 0.00 0.00 57.16 57.82 1npq n GLU 76 Cb 0.00 -1.86 1.02 0.00 0.00 0.00 0.00 31.44 30.60 1npq n GLU 76 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1npq h GLU 77 N 0.00 0.00 0.00 3.44 5.08 -1.84 0.11 114.58 121.37 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 0.00 0.00 0.00 1.97 -1.00 0.00 0.00 179.01 179.98 1npq n PHE 78 N -3.16 0.00 -0.11 4.33 -1.74 -1.05 -1.98 117.46 113.75 1npq n PHE 78 Ca -0.02 0.00 -0.24 0.00 -0.56 0.00 0.00 57.45 56.63 1npq n PHE 78 Cb 0.22 -0.44 -0.11 0.00 1.52 0.00 0.00 39.48 40.66 1npq n PHE 78 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1npq n LEU 79 N -1.44 2.21 -0.14 5.98 4.77 0.38 -4.33 117.00 124.43 1npq n LEU 79 Ca 0.04 0.26 0.05 0.00 -0.03 0.00 0.00 56.01 56.33 1npq n LEU 79 Cb 0.14 -0.92 0.36 0.00 -2.33 0.00 0.00 43.42 40.67 1npq n LEU 79 CO 0.11 0.60 1.21 0.58 -1.33 0.00 0.00 177.39 178.56 1npq h VAL 80 N -0.67 1.06 -1.00 4.08 2.07 -1.56 0.77 116.25 121.01 1npq h VAL 80 Ca -0.54 -0.25 0.23 0.00 0.82 0.00 0.00 66.70 66.96 1npq h VAL 80 Cb 1.64 0.27 -0.12 0.00 -1.52 0.00 0.00 31.29 31.56 1npq h VAL 80 CO -0.23 0.13 0.58 0.00 0.02 0.00 0.00 177.57 178.07 1npq h MET 81 N 0.73 0.58 0.00 1.57 -0.00 -1.59 0.15 114.93 116.37 1npq h MET 81 Ca 0.26 -0.04 -0.27 0.00 -0.00 0.00 0.00 59.70 59.66 1npq h MET 81 Cb 0.13 -0.13 -0.05 0.00 -0.00 0.00 0.00 31.60 31.56 1npq h MET 81 CO -0.08 0.39 -1.80 -1.33 -0.00 0.00 0.00 176.91 174.08 1npq n MET 82 N -4.88 0.64 -0.36 -0.10 2.00 -0.63 -3.95 117.12 109.84 1npq n MET 82 Ca 0.26 0.19 -0.03 0.00 0.00 0.00 0.00 57.70 58.13 1npq n MET 82 Cb 0.71 -1.72 0.10 0.00 0.00 0.00 0.00 33.22 32.31 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 0.00 1.25 0.00 2.03 2.07 1.00 0.17 116.25 122.77 1npq h VAL 83 Ca -0.31 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 1npq h VAL 83 Cb 1.92 -0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1npq h VAL 83 CO 0.06 0.25 -0.12 0.03 0.02 0.00 0.00 177.57 177.80 1npq h ARG 84 N 1.31 0.00 -0.52 1.57 3.08 -0.96 -2.10 114.38 116.77 1npq h ARG 84 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1npq h ARG 84 Cb -0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.91 1npq h ARG 84 CO -0.07 0.12 0.00 1.04 -1.07 0.00 0.00 179.97 179.99 1npq n GLN 85 N -3.31 3.15 -0.04 0.04 1.13 -0.28 -4.45 117.38 113.62 1npq n GLN 85 Ca -0.00 -2.57 -0.07 0.00 -1.94 0.00 0.00 57.00 52.41 1npq n GLN 85 Cb 0.35 -1.62 -0.04 0.00 0.11 0.00 0.00 30.24 29.04 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 0.83 0.20 0.10 -1.09 2.81 0.46 -4.80 117.12 115.62 1npq n MET 86 Ca 0.20 0.06 -0.06 0.00 -1.81 0.00 0.00 57.70 56.10 1npq n MET 86 Cb 0.69 -1.03 -0.03 0.00 -0.71 0.00 0.00 33.22 32.14 1npq n MET 86 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1npq h LYS 87 N -0.13 -0.32 -1.52 0.03 1.57 -1.62 -3.49 116.57 111.10 1npq h LYS 87 Ca -0.20 0.02 0.35 0.00 -1.87 0.00 0.00 60.65 58.95 1npq h LYS 87 Cb 1.25 0.07 -0.11 0.00 0.08 0.00 0.00 32.23 33.53 1npq h LYS 87 CO -0.07 -0.21 0.90 -1.83 -0.57 0.00 0.00 179.45 177.67 1npq s GLU 88 N -3.88 0.28 -0.38 3.15 -1.05 -1.26 -5.03 118.70 110.53 1npq s GLU 88 Ca -0.06 -0.16 0.06 0.00 -0.15 0.00 0.00 54.97 54.66 1npq s GLU 88 Cb 0.01 0.09 0.58 0.00 -0.44 0.00 0.00 34.13 34.37 1npq s GLU 88 CO 0.18 -0.13 1.69 -3.47 0.95 0.00 0.00 175.26 174.49 1npq n ASP 89 N -0.65 3.30 0.00 0.83 2.03 -1.26 -4.78 116.55 116.01 1npq n ASP 89 Ca -0.05 -3.71 0.00 0.00 0.52 0.00 0.00 54.79 51.54 1npq n ASP 89 Cb 0.62 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 1npq n ASP 89 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28