#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 4.80 0.25 0.00 0.01 -1.26 -4.96 113.70 112.54 1npq s SER 2 Ca 0.00 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1npq s SER 2 Cb 0.00 -1.58 0.00 0.00 0.21 0.00 0.00 66.02 64.65 1npq s SER 2 CO 0.00 0.25 0.00 0.23 0.41 0.00 0.00 173.24 174.13 1npq n MET 3 N 3.00 0.00 -3.73 12.44 2.00 -1.26 -5.06 117.12 124.51 1npq n MET 3 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 57.70 57.14 1npq n MET 3 Cb 0.53 0.00 -0.12 0.00 0.00 0.00 0.00 33.22 33.63 1npq n MET 3 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1npq s THR 4 N -1.73 3.76 -1.47 2.03 -4.23 -1.26 -4.94 115.64 107.80 1npq s THR 4 Ca 0.00 -1.37 0.23 0.00 -1.18 0.00 0.00 61.69 59.38 1npq s THR 4 Cb 0.00 -3.24 0.43 0.00 1.34 0.00 0.00 72.50 71.02 1npq s THR 4 CO 0.00 -0.34 1.77 -0.90 -0.54 0.00 0.00 174.62 174.61 1npq n ASP 5 N 4.79 0.00 -0.34 3.99 5.68 -1.26 -3.65 116.55 125.76 1npq n ASP 5 Ca -0.10 -0.10 0.36 0.00 -0.50 0.00 0.00 54.79 54.45 1npq n ASP 5 Cb 0.44 -0.26 0.75 0.00 -1.14 0.00 0.00 41.12 40.91 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 -0.26 0.11 3.07 -2.00 0.87 115.11 116.90 1npq h GLN 6 Ca 0.00 -0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.69 1npq h GLN 6 Cb 0.20 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.75 1npq h GLN 6 CO 0.00 0.00 -0.05 -0.56 0.09 0.00 0.00 178.83 178.31 1npq h GLN 7 N 0.00 0.40 0.13 0.06 3.07 -1.88 -1.76 115.11 115.13 1npq h GLN 7 Ca 0.58 -0.09 -0.01 0.00 0.09 0.00 0.00 58.65 59.23 1npq h GLN 7 Cb 2.32 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 29.83 1npq h GLN 7 CO -0.01 0.47 -0.06 0.00 0.09 0.00 0.00 178.83 179.32 1npq h ALA 8 N 1.57 -0.18 -1.00 0.06 0.00 0.50 -3.21 119.26 117.00 1npq h ALA 8 Ca 0.08 -0.24 0.14 0.00 0.00 0.00 0.00 54.91 54.89 1npq h ALA 8 Cb 0.34 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 1npq h ALA 8 CO 0.01 -0.31 0.63 0.93 0.00 0.00 0.00 179.25 180.51 1npq h GLU 9 N -0.76 0.89 -0.62 0.00 4.39 -1.43 -2.47 114.58 114.58 1npq h GLU 9 Ca -0.02 -0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.69 1npq h GLU 9 Cb 0.54 -0.20 -0.09 0.00 -0.10 0.00 0.00 28.75 28.90 1npq h GLU 9 CO 0.03 0.59 -0.50 0.00 -1.16 0.00 0.00 179.01 177.97 1npq h ALA 10 N 1.57 -0.59 -0.48 3.43 0.00 -1.32 1.51 119.26 123.38 1npq h ALA 10 Ca 0.52 0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.62 1npq h ALA 10 Cb 0.62 1.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 1npq h ALA 10 CO -0.30 -0.89 0.49 0.00 0.00 0.00 0.00 179.25 178.55 1npq h ARG 11 N -0.16 0.00 0.00 0.00 3.08 -1.49 0.46 114.38 116.27 1npq h ARG 11 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1npq h ARG 11 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1npq h ARG 11 CO -0.67 0.00 -1.41 0.00 -1.07 0.00 0.00 179.97 176.82 1npq n ALA 12 N -2.37 2.74 0.62 0.04 0.00 0.26 -4.01 120.51 117.78 1npq n ALA 12 Ca 0.09 -0.37 0.12 0.00 0.00 0.00 0.00 53.44 53.28 1npq n ALA 12 Cb 0.69 -0.95 0.46 0.00 0.00 0.00 0.00 19.45 19.65 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 -2.43 0.64 -4.45 0.00 3.72 0.45 -4.84 117.46 110.55 1npq n PHE 13 Ca -0.01 0.21 -0.22 0.00 -0.05 0.00 0.00 57.45 57.37 1npq n PHE 13 Cb 0.54 -0.84 -0.10 0.00 -0.94 0.00 0.00 39.48 38.15 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 -4.09 2.07 0.49 4.37 1.43 -1.00 -5.06 118.68 116.89 1npq s LEU 14 Ca 0.09 -1.46 -0.04 0.00 -1.03 0.00 0.00 54.13 51.70 1npq s LEU 14 Cb 0.12 -0.27 -0.02 0.00 0.03 0.00 0.00 46.19 46.06 1npq s LEU 14 CO 0.49 -0.71 0.77 -0.44 0.23 0.00 0.00 176.35 176.69 1npq s SER 15 N -3.50 5.99 0.57 2.29 0.01 -1.26 -4.92 113.70 112.88 1npq s SER 15 Ca 0.33 0.67 0.31 0.00 1.31 0.00 0.00 55.95 58.57 1npq s SER 15 Cb 0.07 -1.92 1.44 0.00 0.21 0.00 0.00 66.02 65.82 1npq s SER 15 CO 0.15 -0.71 1.82 -0.33 0.41 0.00 0.00 173.24 174.58 1npq h GLU 16 N 0.21 0.00 0.92 12.44 3.07 -2.00 -0.95 114.58 128.28 1npq h GLU 16 Ca -0.47 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.35 1npq h GLU 16 Cb 1.23 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.15 1npq h GLU 16 CO 0.60 0.00 -0.44 0.93 -1.40 0.00 0.00 179.01 178.70 1npq h GLU 17 N 0.00 -1.19 -0.16 2.33 3.07 -2.00 -1.46 114.58 115.17 1npq h GLU 17 Ca 0.35 0.08 0.05 0.00 -0.50 0.00 0.00 59.36 59.34 1npq h GLU 17 Cb 1.67 0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 29.84 1npq h GLU 17 CO -0.00 -0.79 0.28 1.98 -1.40 0.00 0.00 179.01 179.07 1npq h MET 18 N -1.27 0.00 0.19 2.33 4.05 -1.55 -2.31 114.93 116.37 1npq h MET 18 Ca -0.13 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.28 1npq h MET 18 Cb 0.95 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.75 1npq h MET 18 CO 0.21 0.00 -0.09 0.82 0.23 0.00 0.00 176.91 178.08 1npq h ILE 19 N 0.00 0.00 -0.80 1.77 2.04 -1.14 -2.44 117.51 116.94 1npq h ILE 19 Ca 0.08 -0.42 0.23 0.00 1.00 0.00 0.00 64.86 65.74 1npq h ILE 19 Cb 0.63 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1npq h ILE 19 CO -0.00 0.00 0.72 0.00 0.00 0.00 0.00 178.15 178.87 1npq h ALA 20 N -1.46 2.64 0.05 1.87 0.00 -0.93 0.85 119.26 122.30 1npq h ALA 20 Ca -0.03 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 1npq h ALA 20 Cb 0.20 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1npq h ALA 20 CO 0.04 -1.14 -1.05 0.93 0.00 0.00 0.00 179.25 178.04 1npq h GLU 21 N 0.00 0.21 -0.22 0.00 4.39 -1.47 -3.08 114.58 114.41 1npq h GLU 21 Ca 0.38 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 1npq h GLU 21 Cb 1.82 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 30.56 1npq h GLU 21 CO -0.00 1.08 0.09 0.74 -1.16 0.00 0.00 179.01 179.76 1npq h PHE 22 N 0.08 0.33 0.00 4.33 0.04 0.12 -1.96 116.94 119.88 1npq h PHE 22 Ca -0.08 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.67 1npq h PHE 22 Cb 1.75 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 39.80 1npq h PHE 22 CO 0.04 0.35 0.00 -0.22 -0.60 0.00 0.00 178.31 177.88 1npq h LYS 23 N 0.21 0.00 0.00 1.51 3.11 -1.51 -3.23 116.57 116.66 1npq h LYS 23 Ca 0.07 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.91 1npq h LYS 23 Cb 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 1npq h LYS 23 CO -0.01 0.00 0.00 0.00 -2.81 0.00 0.00 179.45 176.63 1npq n ALA 24 N -1.83 -0.16 1.88 5.00 0.00 -0.74 -2.10 120.51 122.56 1npq n ALA 24 Ca 0.01 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.61 1npq n ALA 24 Cb 0.19 0.27 0.88 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 -2.25 2.66 0.02 0.00 0.00 -1.25 -3.82 120.51 115.87 1npq n ALA 25 Ca 0.00 -0.21 0.18 0.00 0.00 0.00 0.00 53.44 53.40 1npq n ALA 25 Cb 0.00 -1.48 0.66 0.00 0.00 0.00 0.00 19.45 18.63 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 0.20 0.06 0.00 0.00 3.04 -1.44 0.86 116.94 119.67 1npq h PHE 26 Ca 0.00 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1npq h PHE 26 Cb 0.08 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.58 1npq h PHE 26 CO 0.00 0.02 -0.01 0.38 -2.02 0.00 0.00 178.31 176.69 1npq h ASP 27 N 0.05 0.00 0.50 0.41 3.04 -1.67 -3.27 116.42 115.49 1npq h ASP 27 Ca 0.22 -0.94 -0.06 0.00 -3.24 0.00 0.00 57.03 53.01 1npq h ASP 27 Cb 0.82 -0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.10 1npq h ASP 27 CO -0.01 0.94 -0.31 -0.03 -2.04 0.00 0.00 179.24 177.79 1npq h MET 28 N -0.93 0.00 0.17 4.15 4.05 -1.65 -3.27 114.93 117.44 1npq h MET 28 Ca -0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1npq h MET 28 Cb 0.94 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.74 1npq h MET 28 CO 0.00 0.31 -0.12 0.74 0.23 0.00 0.00 176.91 178.07 1npq h PHE 29 N 0.00 -0.31 -2.14 1.39 0.04 0.65 -3.41 116.94 113.16 1npq h PHE 29 Ca -0.00 -0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.19 1npq h PHE 29 Cb 0.64 0.11 0.02 0.00 2.20 0.00 0.00 35.95 38.92 1npq h PHE 29 CO 0.00 -0.17 1.23 -0.25 -0.60 0.00 0.00 178.31 178.53 1npq n ASP 30 N -2.94 3.73 -0.10 2.17 8.00 -1.23 -4.85 116.55 121.32 1npq n ASP 30 Ca -0.03 0.81 -0.24 0.00 0.71 0.00 0.00 54.79 56.04 1npq n ASP 30 Cb 0.11 -1.47 -0.12 0.00 -0.02 0.00 0.00 41.12 39.63 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 7.89 1.05 0.33 2.24 0.00 -1.26 -4.22 120.51 126.53 1npq n ALA 31 Ca 0.23 -0.82 0.22 0.00 0.00 0.00 0.00 53.44 53.07 1npq n ALA 31 Cb 0.37 -0.27 1.10 0.00 0.00 0.00 0.00 19.45 20.65 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 -0.64 0.00 0.00 0.00 2.03 -1.94 -3.47 116.42 112.39 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 1.64 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.14 1npq h ASP 32 CO -0.21 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.61 1npq n GLY 33 N -0.83 0.96 2.69 7.15 0.00 -1.26 -4.91 105.19 108.98 1npq n GLY 33 Ca -0.02 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 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 1.53 0.00 -0.02 0.00 -1.26 -4.78 105.19 100.66 1npq n GLY 34 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.21 0.75 2.01 -0.02 0.00 -1.26 -5.14 105.19 101.33 1npq n GLY 35 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.48 -4.25 1.61 8.00 -1.26 -4.88 116.55 115.29 1npq n ASP 36 Ca 0.00 -2.36 -0.35 0.00 0.71 0.00 0.00 54.79 52.79 1npq n ASP 36 Cb 0.00 1.09 -0.14 0.00 -0.02 0.00 0.00 41.12 42.06 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 -2.83 3.23 0.00 0.53 1.01 -1.13 -4.66 121.20 117.34 1npq s ILE 37 Ca 0.24 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.99 1npq s ILE 37 Cb 0.01 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 39.84 1npq s ILE 37 CO 0.17 0.17 0.00 -1.20 0.00 0.00 0.00 174.94 174.08 1npq n SER 38 N 4.73 0.42 0.30 3.58 7.64 -1.26 -1.94 113.62 127.08 1npq n SER 38 Ca -0.16 -0.43 0.19 0.00 1.01 0.00 0.00 58.87 59.48 1npq n SER 38 Cb 0.47 0.00 0.84 0.00 -1.01 0.00 0.00 64.21 64.52 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 0.09 0.02 0.00 0.44 1.35 -1.91 -2.60 112.91 110.30 1npq h THR 39 Ca 0.00 -0.37 -0.26 0.00 -0.55 0.00 0.00 66.41 65.23 1npq h THR 39 Cb 0.00 1.36 -0.05 0.00 -1.73 0.00 0.00 68.15 67.73 1npq h THR 39 CO 0.00 0.01 -1.68 1.17 -0.25 0.00 0.00 175.52 174.76 1npq n LYS 40 N -3.11 0.63 0.17 4.72 3.00 -1.26 -3.57 118.16 118.75 1npq n LYS 40 Ca -0.01 0.26 0.05 0.00 -0.00 0.00 0.00 58.31 58.61 1npq n LYS 40 Cb 0.24 -1.78 0.23 0.00 0.00 0.00 0.00 35.03 33.71 1npq n LYS 40 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1npq h GLU 41 N 0.00 0.00 0.00 1.64 5.08 -1.80 -3.19 114.58 116.31 1npq h GLU 41 Ca -0.27 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1npq h GLU 41 Cb 1.92 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.16 1npq h GLU 41 CO 0.07 0.40 -0.02 1.25 -1.00 0.00 0.00 179.01 179.70 1npq h LEU 42 N 0.00 0.00 -2.44 1.33 7.12 -1.62 -3.30 115.31 116.40 1npq h LEU 42 Ca -0.00 -0.93 0.01 0.00 0.13 0.00 0.00 57.88 57.08 1npq h LEU 42 Cb 1.08 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.21 1npq h LEU 42 CO 0.05 0.98 0.17 1.23 -0.13 0.00 0.00 178.44 180.75 1npq h GLY 43 N -1.00 0.00 0.00 3.75 0.00 -1.65 -2.32 103.07 101.85 1npq h GLY 43 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 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 -3.16 0.00 -0.28 4.70 -1.04 -1.20 -1.59 114.28 111.71 1npq n THR 44 Ca -0.02 0.82 0.10 0.00 -2.04 0.00 0.00 64.05 62.91 1npq n THR 44 Cb 0.25 -1.70 0.34 0.00 -1.82 0.00 0.00 70.33 67.40 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 0.90 0.00 12.58 3.04 -1.71 0.32 116.25 131.38 1npq h VAL 45 Ca 0.00 -0.27 -0.02 0.00 -1.01 0.00 0.00 66.70 65.40 1npq h VAL 45 Cb 0.00 0.04 -0.00 0.00 -2.01 0.00 0.00 31.29 29.32 1npq h VAL 45 CO 0.00 0.14 -0.10 0.24 -1.01 0.00 0.00 177.57 176.84 1npq h MET 46 N 0.78 0.00 0.10 4.17 2.07 -1.52 -0.47 114.93 120.06 1npq h MET 46 Ca 0.43 0.00 -0.32 0.00 -2.07 0.00 0.00 59.70 57.74 1npq h MET 46 Cb 0.57 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.29 1npq h MET 46 CO -0.20 0.10 -1.71 0.00 1.07 0.00 0.00 176.91 176.18 1npq h ARG 47 N 0.00 0.22 0.00 1.72 3.08 0.06 0.24 114.38 119.70 1npq h ARG 47 Ca -0.00 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.67 1npq h ARG 47 Cb 0.35 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 1npq h ARG 47 CO 0.01 1.04 -0.10 0.00 -1.07 0.00 0.00 179.97 179.86 1npq h MET 48 N 0.06 0.00 0.06 0.04 -0.00 -1.17 -3.33 114.93 110.59 1npq h MET 48 Ca -0.31 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.25 1npq h MET 48 Cb 2.03 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.63 1npq h MET 48 CO 0.13 0.04 -0.68 -0.07 -0.00 0.00 0.00 176.91 176.32 1npq h LEU 49 N 0.00 0.18 0.00 -0.10 3.38 -1.22 -3.49 115.31 114.07 1npq h LEU 49 Ca -0.00 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.09 1npq h LEU 49 Cb 1.03 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1npq h LEU 49 CO 0.00 1.30 0.00 0.61 0.09 0.00 0.00 178.44 180.44 1npq n GLY 50 N 1.62 0.40 3.74 0.83 0.00 -1.17 -5.10 105.19 105.51 1npq n GLY 50 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 1.82 -0.36 1.61 -0.44 0.84 -4.95 119.66 118.18 1npq s GLN 51 Ca 0.00 1.19 0.14 0.00 -2.50 0.00 0.00 55.36 54.19 1npq s GLN 51 Cb 0.00 -1.85 0.40 0.00 -1.64 0.00 0.00 33.01 29.93 1npq s GLN 51 CO 0.00 -1.96 0.94 0.27 0.50 0.00 0.00 175.29 175.04 1npq n ASN 52 N -3.74 0.49 -4.59 6.67 6.94 -1.26 -3.80 115.26 115.97 1npq n ASN 52 Ca 0.09 -2.87 -0.42 0.00 -0.02 0.00 0.00 54.58 51.36 1npq n ASN 52 Cb 0.53 -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 -2.18 3.18 1.20 -0.53 0.04 -1.26 -4.98 135.00 130.46 1npq s PRO 53 Ca 0.30 1.24 -0.17 0.00 0.04 0.00 0.00 61.00 62.41 1npq s PRO 53 Cb 0.40 -4.23 0.23 0.00 0.04 0.00 0.00 34.50 30.93 1npq s PRO 53 CO -0.02 -2.05 0.50 2.41 0.04 0.00 0.00 177.00 177.87 1npq n THR 54 N 7.37 0.00 -0.20 1.26 -1.04 -1.26 -4.43 114.28 115.98 1npq n THR 54 Ca 0.22 -0.24 -0.02 0.00 -2.04 0.00 0.00 64.05 61.97 1npq n THR 54 Cb 0.48 -0.76 0.09 0.00 -1.82 0.00 0.00 70.33 68.32 1npq n THR 54 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1npq h LYS 55 N -2.70 0.48 -0.15 -2.82 1.63 -1.97 -0.47 116.57 110.57 1npq h LYS 55 Ca -0.48 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.24 1npq h LYS 55 Cb 1.24 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.75 1npq h LYS 55 CO 0.34 0.32 -0.15 0.00 -3.45 0.00 0.00 179.45 176.50 1npq h GLU 57 N 0.22 -0.41 -0.35 0.00 4.39 -1.39 0.32 114.58 117.37 1npq h GLU 57 Ca 0.04 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 1npq h GLU 57 Cb 0.41 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 1npq h GLU 57 CO 0.03 -0.27 0.15 -0.07 -1.16 0.00 0.00 179.01 177.68 1npq h LEU 58 N -0.46 0.43 -1.15 1.33 3.38 -1.42 -0.94 115.31 116.49 1npq h LEU 58 Ca -0.04 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1npq h LEU 58 Cb 0.32 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1npq h LEU 58 CO 0.07 0.39 -0.24 -0.78 0.09 0.00 0.00 178.44 177.97 1npq h ASP 59 N 0.49 0.00 0.70 -0.43 3.58 -0.80 -1.15 116.42 118.81 1npq h ASP 59 Ca 0.12 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.35 1npq h ASP 59 Cb 0.08 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 1npq h ASP 59 CO -0.01 0.24 -1.00 0.00 -2.88 0.00 0.00 179.24 175.58 1npq h ALA 60 N 1.76 0.37 0.03 -0.78 0.00 0.10 -3.08 119.26 117.66 1npq h ALA 60 Ca -0.00 -0.81 -0.00 0.00 0.00 0.00 0.00 54.91 54.10 1npq h ALA 60 Cb 0.74 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1npq h ALA 60 CO 0.03 1.01 -0.01 0.82 0.00 0.00 0.00 179.25 181.10 1npq h ILE 61 N 0.07 0.00 -1.28 0.00 5.03 -1.23 -3.03 117.51 117.08 1npq h ILE 61 Ca -0.06 -0.82 0.40 0.00 -0.12 0.00 0.00 64.86 64.26 1npq h ILE 61 Cb 1.69 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 35.37 1npq h ILE 61 CO 0.15 0.00 0.83 0.40 -0.68 0.00 0.00 178.15 178.86 1npq h ILE 62 N -0.85 0.22 -0.17 -0.67 2.04 -1.37 0.80 117.51 117.50 1npq h ILE 62 Ca -0.00 -0.05 -0.09 0.00 1.00 0.00 0.00 64.86 65.72 1npq h ILE 62 Cb 0.03 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.17 1npq h ILE 62 CO 0.01 0.03 -0.22 0.00 0.00 0.00 0.00 178.15 177.96 1npq h GLU 64 N 0.10 0.74 0.42 0.00 5.08 0.33 -3.31 114.58 117.94 1npq h GLU 64 Ca 0.02 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 1npq h GLU 64 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1npq h GLU 64 CO 0.05 0.99 -0.20 0.28 -1.00 0.00 0.00 179.01 179.13 1npq h VAL 65 N 0.61 0.00 -2.28 3.13 2.07 0.28 -3.42 116.25 116.64 1npq h VAL 65 Ca 0.06 -0.19 -0.54 0.00 0.82 0.00 0.00 66.70 66.84 1npq h VAL 65 Cb 0.91 0.00 0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1npq h VAL 65 CO 0.08 0.00 1.29 0.47 0.02 0.00 0.00 177.57 179.43 1npq n ASP 66 N -4.05 3.99 -2.00 0.57 8.00 -0.06 -4.86 116.55 118.14 1npq n ASP 66 Ca -0.07 0.76 -0.12 0.00 0.71 0.00 0.00 54.79 56.07 1npq n ASP 66 Cb 0.22 -1.53 0.23 0.00 -0.02 0.00 0.00 41.12 40.02 1npq n ASP 66 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1npq n GLU 67 N 7.78 2.94 -0.60 -1.24 -0.58 -1.26 -4.06 120.64 123.63 1npq n GLU 67 Ca 0.22 -2.78 -0.00 0.00 -0.42 0.00 0.00 57.16 54.18 1npq n GLU 67 Cb 0.42 -2.12 -0.00 0.00 -0.57 0.00 0.00 31.44 29.17 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 -0.48 0.02 -3.78 1.62 5.75 -1.26 -5.01 116.55 113.41 1npq n ASP 68 Ca 0.45 -1.62 -0.29 0.00 -0.01 0.00 0.00 54.79 53.31 1npq n ASP 68 Cb 1.42 -0.10 -0.01 0.00 -1.03 0.00 0.00 41.12 41.39 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 -0.47 0.08 6.12 0.00 -1.26 -4.83 105.19 104.88 1npq n GLY 69 Ca -0.01 0.11 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.45 0.69 0.00 1.61 3.41 -1.26 -4.97 113.62 110.65 1npq n SER 70 Ca 0.04 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1npq n SER 70 Cb 0.51 0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 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 1.57 0.36 3.29 5.00 0.00 -1.26 -4.99 105.19 109.16 1npq n GLY 71 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.81 2.36 -0.32 2.61 -4.23 -1.26 -4.18 115.64 108.81 1npq s THR 72 Ca 0.00 -0.94 -0.17 0.00 -1.18 0.00 0.00 61.69 59.40 1npq s THR 72 Cb 0.00 -1.91 -0.01 0.00 1.34 0.00 0.00 72.50 71.92 1npq s THR 72 CO 0.00 0.56 0.49 -0.63 -0.54 0.00 0.00 174.62 174.50 1npq s ILE 73 N 0.06 5.06 0.00 2.99 1.01 -0.82 -4.85 121.20 124.64 1npq s ILE 73 Ca -0.09 0.49 0.00 0.00 0.00 0.00 0.00 60.65 61.06 1npq s ILE 73 Cb -0.15 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.43 1npq s ILE 73 CO 0.06 -0.08 0.00 -0.67 0.00 0.00 0.00 174.94 174.24 1npq n ASP 74 N 5.62 -0.53 0.00 3.58 2.03 -1.26 -2.85 116.55 123.14 1npq n ASP 74 Ca -0.05 -0.30 0.00 0.00 0.52 0.00 0.00 54.79 54.96 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 -1.59 0.00 0.29 -0.67 3.72 -1.26 -3.50 117.46 114.45 1npq n PHE 75 Ca 0.00 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.56 1npq n PHE 75 Cb 0.00 -0.06 0.88 0.00 -0.94 0.00 0.00 39.48 39.36 1npq n PHE 75 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1npq h GLU 76 N 0.00 0.00 -0.76 -1.08 4.39 -1.95 -2.41 114.58 112.78 1npq h GLU 76 Ca 0.00 0.00 0.22 0.00 0.34 0.00 0.00 59.36 59.92 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 0.05 0.60 0.93 -1.16 0.00 0.00 179.01 179.43 1npq h GLU 77 N 0.00 0.00 0.00 2.33 5.08 -1.87 0.73 114.58 120.84 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 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1npq h GLU 77 CO 0.01 0.00 0.00 0.35 -1.00 0.00 0.00 179.01 178.37 1npq h PHE 78 N 0.00 0.00 0.07 4.33 3.04 -1.46 0.02 116.94 122.93 1npq h PHE 78 Ca 0.36 0.00 -0.34 0.00 3.98 0.00 0.00 57.97 61.97 1npq h PHE 78 Cb 1.55 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 40.02 1npq h PHE 78 CO 0.00 0.00 -1.90 1.28 -2.02 0.00 0.00 178.31 175.67 1npq n LEU 79 N -2.92 1.86 0.08 0.59 4.32 0.25 -4.19 117.00 117.00 1npq n LEU 79 Ca -0.00 0.28 -0.12 0.00 -0.02 0.00 0.00 56.01 56.14 1npq n LEU 79 Cb 0.20 -0.55 -0.05 0.00 -1.62 0.00 0.00 43.42 41.40 1npq n LEU 79 CO 0.23 0.66 0.16 1.62 -1.22 0.00 0.00 177.39 178.84 1npq h VAL 80 N 0.04 1.44 -1.00 4.08 3.04 -1.27 -2.91 116.25 119.66 1npq h VAL 80 Ca -0.37 -2.60 0.21 0.00 -1.01 0.00 0.00 66.70 62.93 1npq h VAL 80 Cb 2.03 2.52 -0.11 0.00 -2.01 0.00 0.00 31.29 33.72 1npq h VAL 80 CO 0.08 0.77 0.61 0.00 -1.01 0.00 0.00 177.57 178.02 1npq h MET 81 N 0.17 0.63 0.01 4.17 -0.00 -1.17 0.72 114.93 119.47 1npq h MET 81 Ca -0.08 -0.04 -0.23 0.00 -0.00 0.00 0.00 59.70 59.35 1npq h MET 81 Cb 1.62 -0.14 0.02 0.00 -0.00 0.00 0.00 31.60 33.10 1npq h MET 81 CO 0.16 0.42 -0.90 0.52 -0.00 0.00 0.00 176.91 177.11 1npq h MET 82 N 0.65 0.59 -0.27 -0.10 2.07 -1.72 -3.23 114.93 112.93 1npq h MET 82 Ca 0.59 -0.65 0.05 0.00 -2.07 0.00 0.00 59.70 57.62 1npq h MET 82 Cb 1.08 0.19 -0.01 0.00 -1.87 0.00 0.00 31.60 30.98 1npq h MET 82 CO -0.38 1.26 0.18 0.28 1.07 0.00 0.00 176.91 179.32 1npq h VAL 83 N 0.19 0.94 0.00 -2.22 2.07 -0.73 0.26 116.25 116.76 1npq h VAL 83 Ca -0.12 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1npq h VAL 83 Cb 1.58 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1npq h VAL 83 CO 0.18 0.03 0.00 0.54 0.02 0.00 0.00 177.57 178.33 1npq n ARG 84 N -4.48 0.24 -0.01 1.57 1.74 -0.20 -2.50 116.66 113.01 1npq n ARG 84 Ca 0.03 0.07 0.01 0.00 -0.77 0.00 0.00 57.85 57.19 1npq n ARG 84 Cb 0.24 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.15 1npq n ARG 84 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1npq n GLN 85 N -1.35 0.99 0.12 5.56 6.02 0.56 -4.33 117.38 124.95 1npq n GLN 85 Ca 0.10 -0.03 -0.24 0.00 -0.01 0.00 0.00 57.00 56.82 1npq n GLN 85 Cb 0.21 -1.10 -0.15 0.00 1.02 0.00 0.00 30.24 30.22 1npq n GLN 85 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1npq h MET 86 N 0.00 0.51 -0.09 -1.09 2.86 -0.62 -3.35 114.93 113.17 1npq h MET 86 Ca -0.03 -0.84 -0.06 0.00 -2.06 0.00 0.00 59.70 56.71 1npq h MET 86 Cb 0.47 0.31 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1npq h MET 86 CO 0.00 1.40 -0.18 0.87 1.06 0.00 0.00 176.91 180.06 1npq h LYS 87 N 0.07 0.27 0.00 1.72 1.57 -1.74 -3.47 116.57 115.00 1npq h LYS 87 Ca -0.23 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1npq h LYS 87 Cb 2.03 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.36 1npq h LYS 87 CO 0.25 0.77 0.00 -1.91 -0.57 0.00 0.00 179.45 177.99 1npq n GLU 88 N -4.56 0.00 -0.47 3.15 2.13 -1.26 -4.85 120.64 114.77 1npq n GLU 88 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 1npq n GLU 88 Cb 0.40 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.11 1npq n GLU 88 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1npq n ASP 89 N 2.94 -2.79 0.00 4.31 9.92 -1.26 -5.04 116.55 124.64 1npq n ASP 89 Ca 0.00 0.50 0.03 0.00 -0.53 0.00 0.00 54.79 54.79 1npq n ASP 89 Cb 0.00 -0.80 0.19 0.00 -0.64 0.00 0.00 41.12 39.87 1npq n ASP 89 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33