#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbd s MET 2 N 0.00 2.92 0.00 4.33 -2.45 -1.26 -4.73 119.30 118.11 2qbd s MET 2 Ca 0.00 1.79 0.00 0.00 -1.25 0.00 0.00 55.69 56.23 2qbd s MET 2 Cb 0.00 -4.40 -0.00 0.00 1.25 0.00 0.00 34.83 31.68 2qbd s MET 2 CO 0.00 -2.35 0.26 1.04 1.05 0.00 0.00 175.02 175.02 2qbd n GLN 3 N 8.79 2.90 -3.31 4.11 6.02 -1.26 -4.89 117.38 129.74 2qbd n GLN 3 Ca 0.30 -0.26 -0.11 0.00 -0.01 0.00 0.00 57.00 56.92 2qbd n GLN 3 Cb 0.47 -0.76 -0.06 0.00 1.02 0.00 0.00 30.24 30.92 2qbd n GLN 3 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2qbd s ASP 4 N -0.49 0.34 0.33 1.08 3.68 -1.26 -4.91 116.67 115.43 2qbd s ASP 4 Ca 0.00 -1.26 0.07 0.00 2.13 0.00 0.00 52.55 53.49 2qbd s ASP 4 Cb 0.00 1.00 0.57 0.00 -1.45 0.00 0.00 42.92 43.04 2qbd s ASP 4 CO 0.00 -0.24 1.79 1.55 0.13 0.00 0.00 175.17 178.40 2qbd h PRO 5 N 7.13 0.31 -0.69 4.34 0.13 -2.00 -3.10 132.00 138.12 2qbd h PRO 5 Ca 0.04 -0.11 0.02 0.00 -0.87 0.00 0.00 66.00 65.08 2qbd h PRO 5 Cb 1.10 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.16 2qbd h PRO 5 CO 0.18 0.55 0.44 0.82 -0.23 0.00 0.00 178.00 179.75 2qbd h ILE 6 N 0.28 1.12 -0.93 -3.56 1.08 -2.00 -2.40 117.51 111.10 2qbd h ILE 6 Ca 0.04 -0.30 -0.01 0.00 -0.39 0.00 0.00 64.86 64.20 2qbd h ILE 6 Cb 0.60 0.17 -0.04 0.00 -3.07 0.00 0.00 36.82 34.48 2qbd h ILE 6 CO 0.04 0.16 0.56 0.00 -0.69 0.00 0.00 178.15 178.22 2qbd h ALA 7 N 1.28 1.22 -0.79 1.87 0.00 -1.97 -2.39 119.26 118.48 2qbd h ALA 7 Ca 0.27 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2qbd h ALA 7 Cb -0.03 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.35 2qbd h ALA 7 CO -0.09 0.66 0.47 0.22 0.00 0.00 0.00 179.25 180.52 2qbd h ASP 8 N 1.29 0.95 0.08 0.00 1.82 -1.48 -0.06 116.42 119.02 2qbd h ASP 8 Ca 0.33 -0.07 -0.00 0.00 -0.39 0.00 0.00 57.03 56.91 2qbd h ASP 8 Cb -0.04 -0.24 -0.00 0.00 0.68 0.00 0.00 39.33 39.72 2qbd h ASP 8 CO -0.06 0.74 -0.05 -0.03 -1.61 0.00 0.00 179.24 178.22 2qbd h MET 9 N 1.08 -0.13 -0.43 0.28 4.05 -1.06 0.15 114.93 118.88 2qbd h MET 9 Ca 0.28 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.71 2qbd h MET 9 Cb -0.04 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.77 2qbd h MET 9 CO -0.05 -0.08 0.24 -0.07 0.23 0.00 0.00 176.91 177.18 2qbd h LEU 10 N -0.13 0.53 -0.67 3.39 3.38 -1.22 -2.70 115.31 117.89 2qbd h LEU 10 Ca -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2qbd h LEU 10 Cb 0.11 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2qbd h LEU 10 CO 0.01 0.45 0.37 0.71 0.09 0.00 0.00 178.44 180.07 2qbd h THR 11 N 0.56 1.21 -0.91 0.22 1.35 -0.81 -1.91 112.91 112.62 2qbd h THR 11 Ca 0.15 -0.53 0.10 0.00 -0.55 0.00 0.00 66.41 65.59 2qbd h THR 11 Cb 0.04 0.34 -0.07 0.00 -1.73 0.00 0.00 68.15 66.73 2qbd h THR 11 CO -0.03 0.23 0.59 0.03 -0.25 0.00 0.00 175.52 176.09 2qbd h ARG 12 N 0.92 0.87 -0.03 4.72 3.08 -0.40 -1.13 114.38 122.40 2qbd h ARG 12 Ca 0.24 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.18 2qbd h ARG 12 Cb 0.04 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.90 2qbd h ARG 12 CO -0.04 0.58 -0.20 0.82 -1.07 0.00 0.00 179.97 180.06 2qbd h ILE 13 N 0.90 1.50 -0.45 2.04 2.04 -1.14 -1.26 117.51 121.13 2qbd h ILE 13 Ca 0.43 -1.75 0.02 0.00 1.00 0.00 0.00 64.86 64.56 2qbd h ILE 13 Cb 0.44 2.55 -0.03 0.00 -0.74 0.00 0.00 36.82 39.04 2qbd h ILE 13 CO -0.19 0.48 0.27 -0.09 0.00 0.00 0.00 178.15 178.62 2qbd h ARG 14 N -0.42 0.53 0.00 2.37 2.43 -1.06 0.24 114.38 118.47 2qbd h ARG 14 Ca -0.02 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 2qbd h ARG 14 Cb 0.89 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 2qbd h ARG 14 CO 0.04 0.35 -0.49 -0.91 -1.51 0.00 0.00 179.97 177.45 2qbd h ASN 15 N 0.55 0.00 0.20 -3.80 2.35 -1.31 -2.66 115.58 110.91 2qbd h ASN 15 Ca 0.18 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 2qbd h ASN 15 Cb -0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2qbd h ASN 15 CO -0.07 0.49 -0.09 1.23 -1.65 0.00 0.00 177.43 177.33 2qbd h GLY 16 N 1.79 -0.28 1.18 2.83 0.00 -0.32 -2.77 103.07 105.50 2qbd h GLY 16 Ca -0.00 0.10 0.12 0.00 0.00 0.00 0.00 47.33 47.54 2qbd h GLY 16 CO 0.06 -0.10 0.30 1.46 0.00 0.00 0.00 176.54 178.26 2qbd h GLN 17 N -0.77 0.03 -0.40 4.80 1.08 -0.58 -0.35 115.11 118.92 2qbd h GLN 17 Ca -0.03 -0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.03 2qbd h GLN 17 Cb 0.51 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 2qbd h GLN 17 CO 0.04 0.02 -0.31 0.00 -0.95 0.00 0.00 178.83 177.64 2qbd h ALA 18 N 1.79 0.71 -0.24 3.87 0.00 -1.41 -2.81 119.26 121.17 2qbd h ALA 18 Ca 0.20 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2qbd h ALA 18 Cb 0.76 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2qbd h ALA 18 CO -0.01 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.91 2qbd n ALA 19 N -2.52 2.49 -3.51 0.00 0.00 -0.24 -4.92 120.51 111.80 2qbd n ALA 19 Ca -0.01 -0.57 -0.25 0.00 0.00 0.00 0.00 53.44 52.62 2qbd n ALA 19 Cb 0.49 -1.04 0.06 0.00 0.00 0.00 0.00 19.45 18.96 2qbd n ALA 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qbd n ASN 20 N 0.42 -6.05 -4.74 0.00 4.13 -0.60 -4.94 115.26 103.48 2qbd n ASN 20 Ca 0.15 -0.52 -0.41 0.00 1.68 0.00 0.00 54.58 55.48 2qbd n ASN 20 Cb 0.32 -4.80 -0.03 0.00 -1.54 0.00 0.00 39.78 33.73 2qbd n ASN 20 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2qbd s LYS 21 N -6.22 4.46 0.24 3.52 -0.14 -0.84 -4.92 119.74 115.84 2qbd s LYS 21 Ca 0.53 1.93 -0.05 0.00 -1.36 0.00 0.00 55.97 57.02 2qbd s LYS 21 Cb -0.24 -3.22 0.44 0.00 -1.68 0.00 0.00 37.83 33.12 2qbd s LYS 21 CO 0.66 -0.13 1.70 0.00 -0.76 0.00 0.00 175.35 176.82 2qbd h ALA 22 N 5.22 0.94 -3.00 5.17 0.00 -1.92 -3.42 119.26 122.26 2qbd h ALA 22 Ca -0.45 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2qbd h ALA 22 Cb 1.21 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2qbd h ALA 22 CO 0.75 -0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.69 2qbd n ALA 23 N -2.61 0.00 -3.42 0.00 0.00 -1.26 -2.55 120.51 110.67 2qbd n ALA 23 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.59 2qbd n ALA 23 Cb 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.83 2qbd n ALA 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qbd s VAL 24 N 0.18 -0.19 0.29 0.00 0.11 -0.58 -4.68 120.40 115.53 2qbd s VAL 24 Ca 0.00 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.12 2qbd s VAL 24 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 2qbd s VAL 24 CO 0.00 0.00 0.26 -0.89 -3.33 0.00 0.00 175.10 171.14 2qbd s THR 25 N 1.90 4.16 -0.16 5.04 2.01 -1.26 -0.13 115.64 127.20 2qbd s THR 25 Ca -0.04 -1.34 -0.34 0.00 0.31 0.00 0.00 61.69 60.28 2qbd s THR 25 Cb -0.03 -3.36 0.14 0.00 0.01 0.00 0.00 72.50 69.26 2qbd s THR 25 CO -0.15 -0.28 1.29 0.00 -0.69 0.00 0.00 174.62 174.79 2qbd s MET 26 N -3.93 0.25 -0.44 4.92 0.23 -1.05 -4.97 119.30 114.31 2qbd s MET 26 Ca 0.36 -0.11 -0.27 0.00 -1.03 0.00 0.00 55.69 54.64 2qbd s MET 26 Cb -0.07 0.10 -0.03 0.00 -1.53 0.00 0.00 34.83 33.29 2qbd s MET 26 CO 0.26 -0.11 2.01 -1.25 -2.03 0.00 0.00 175.02 173.91 2qbd s PRO 27 N -2.30 2.79 1.22 3.16 0.04 -1.26 0.85 135.00 139.49 2qbd s PRO 27 Ca 0.12 1.24 -0.14 0.00 0.04 0.00 0.00 61.00 62.25 2qbd s PRO 27 Cb 0.01 -4.37 0.29 0.00 0.04 0.00 0.00 34.50 30.48 2qbd s PRO 27 CO -0.04 -2.50 0.90 0.45 0.04 0.00 0.00 177.00 175.85 2qbd n SER 28 N 12.57 -2.16 -3.65 6.66 2.88 0.27 -4.77 113.62 125.42 2qbd n SER 28 Ca 0.26 -0.27 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 2qbd n SER 28 Cb 0.50 -1.19 -0.06 0.00 -0.75 0.00 0.00 64.21 62.71 2qbd n SER 28 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2qbd s SER 29 N -2.37 -0.05 0.00 -3.46 1.04 -1.26 -4.84 113.70 102.76 2qbd s SER 29 Ca 0.67 0.09 0.00 0.00 0.48 0.00 0.00 55.95 57.19 2qbd s SER 29 Cb -0.23 0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.97 2qbd s SER 29 CO 0.65 -0.03 0.51 1.17 0.98 0.00 0.00 173.24 176.52 2qbd n LYS 30 N 1.21 0.00 -0.24 4.02 4.81 -1.26 -0.65 118.16 126.05 2qbd n LYS 30 Ca -0.07 0.51 0.04 0.00 -0.87 0.00 0.00 58.31 57.91 2qbd n LYS 30 Cb 0.58 -0.79 0.14 0.00 0.02 0.00 0.00 35.03 34.98 2qbd n LYS 30 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2qbd h LEU 31 N 0.00 -0.33 -0.48 3.14 5.85 -1.99 -0.40 115.31 121.09 2qbd h LEU 31 Ca 0.00 0.18 0.10 0.00 0.84 0.00 0.00 57.88 59.00 2qbd h LEU 31 Cb 0.00 0.32 -0.09 0.00 0.37 0.00 0.00 40.66 41.27 2qbd h LEU 31 CO 0.00 -0.16 -0.06 0.11 -0.34 0.00 0.00 178.44 177.99 2qbd h LYS 32 N 0.11 0.05 0.74 1.25 1.57 -1.29 -1.23 116.57 117.77 2qbd h LYS 32 Ca 0.38 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.12 2qbd h LYS 32 Cb 0.65 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.95 2qbd h LYS 32 CO -0.62 0.03 -0.35 0.28 -0.57 0.00 0.00 179.45 178.22 2qbd h VAL 33 N 0.05 0.25 -0.98 0.50 2.07 -0.37 -1.41 116.25 116.36 2qbd h VAL 33 Ca 0.24 -0.06 0.31 0.00 0.82 0.00 0.00 66.70 68.01 2qbd h VAL 33 Cb 0.36 0.27 -0.15 0.00 -1.52 0.00 0.00 31.29 30.26 2qbd h VAL 33 CO -0.45 0.01 0.50 0.00 0.02 0.00 0.00 177.57 177.65 2qbd h ALA 34 N -0.79 1.83 -0.39 1.67 0.00 -0.91 0.67 119.26 121.34 2qbd h ALA 34 Ca -0.10 0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 2qbd h ALA 34 Cb 0.77 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2qbd h ALA 34 CO 0.17 -0.56 -0.36 0.82 0.00 0.00 0.00 179.25 179.31 2qbd h ILE 35 N 0.30 1.27 -0.84 0.00 2.04 -0.99 -3.04 117.51 116.25 2qbd h ILE 35 Ca 0.70 -1.54 0.01 0.00 1.00 0.00 0.00 64.86 65.03 2qbd h ILE 35 Cb 1.58 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 38.99 2qbd h ILE 35 CO -0.62 0.52 0.55 0.00 0.00 0.00 0.00 178.15 178.60 2qbd h ALA 36 N 0.78 1.39 -0.15 1.87 0.00 0.14 -2.53 119.26 120.76 2qbd h ALA 36 Ca 0.06 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2qbd h ALA 36 Cb 0.96 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 2qbd h ALA 36 CO 0.09 0.56 -0.18 -0.91 0.00 0.00 0.00 179.25 178.81 2qbd h ASN 37 N 1.14 -0.58 -0.97 0.00 4.21 -0.95 0.60 115.58 119.04 2qbd h ASN 37 Ca 0.31 0.10 0.11 0.00 1.21 0.00 0.00 56.30 58.03 2qbd h ASN 37 Cb -0.12 0.27 -0.08 0.00 -1.12 0.00 0.00 38.32 37.27 2qbd h ASN 37 CO -0.07 -0.23 0.61 0.58 -1.29 0.00 0.00 177.43 177.04 2qbd h VAL 38 N -0.22 0.93 -0.24 2.81 2.07 -1.47 0.12 116.25 120.25 2qbd h VAL 38 Ca 0.11 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 2qbd h VAL 38 Cb 0.38 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 2qbd h VAL 38 CO -0.28 0.17 -0.17 -0.07 0.02 0.00 0.00 177.57 177.24 2qbd h LEU 39 N 0.95 0.41 0.04 2.57 3.38 -0.81 -2.51 115.31 119.34 2qbd h LEU 39 Ca 0.47 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.32 2qbd h LEU 39 Cb 0.47 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2qbd h LEU 39 CO -0.23 0.60 -0.02 0.50 0.09 0.00 0.00 178.44 179.38 2qbd h LYS 40 N 0.38 -0.06 0.00 1.13 1.63 0.12 -1.23 116.57 118.54 2qbd h LYS 40 Ca 0.07 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 2qbd h LYS 40 Cb 0.52 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 2qbd h LYS 40 CO 0.03 0.58 0.00 0.39 -3.45 0.00 0.00 179.45 177.00 2qbd n GLU 41 N -4.78 0.12 0.00 1.90 -0.58 0.20 -1.08 120.64 116.42 2qbd n GLU 41 Ca -0.08 0.15 0.05 0.00 -0.42 0.00 0.00 57.16 56.86 2qbd n GLU 41 Cb 0.33 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.73 2qbd n GLU 41 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2qbd n GLU 42 N -1.19 0.69 -1.69 3.49 -0.58 -0.95 -5.00 120.64 115.40 2qbd n GLU 42 Ca 0.03 -0.97 -0.08 0.00 -0.42 0.00 0.00 57.16 55.72 2qbd n GLU 42 Cb 0.04 -1.16 -0.02 0.00 -0.57 0.00 0.00 31.44 29.73 2qbd n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qbd n GLY 43 N 0.60 0.54 0.09 0.62 0.00 -0.24 -4.91 105.19 101.89 2qbd n GLY 43 Ca 0.05 -0.59 -0.02 0.00 0.00 0.00 0.00 46.02 45.46 2qbd n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qbd n PHE 44 N -3.36 0.97 -4.15 1.61 3.72 -0.48 -4.91 117.46 110.85 2qbd n PHE 44 Ca -0.09 0.33 -0.17 0.00 -0.05 0.00 0.00 57.45 57.46 2qbd n PHE 44 Cb 0.42 -1.10 -0.12 0.00 -0.94 0.00 0.00 39.48 37.74 2qbd n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2qbd s ILE 45 N -2.85 1.00 0.01 4.37 -4.36 -1.18 -4.21 121.20 113.98 2qbd s ILE 45 Ca -0.03 -1.27 -0.11 0.00 -0.26 0.00 0.00 60.65 58.98 2qbd s ILE 45 Cb 0.09 -0.99 -0.06 0.00 1.25 0.00 0.00 42.46 42.75 2qbd s ILE 45 CO 0.82 -0.26 0.87 -0.33 0.24 0.00 0.00 174.94 176.28 2qbd h GLU 46 N 4.32 -0.38 0.00 0.37 4.39 -1.63 -3.42 114.58 118.23 2qbd h GLU 46 Ca -0.40 0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.22 2qbd h GLU 46 Cb 1.19 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.91 2qbd h GLU 46 CO 0.40 -0.25 0.10 -3.47 -1.16 0.00 0.00 179.01 174.63 2qbd n ASP 47 N -3.39 -1.62 -3.59 1.42 2.03 -1.25 -4.99 116.55 105.15 2qbd n ASP 47 Ca -0.05 -2.42 -0.14 0.00 0.52 0.00 0.00 54.79 52.70 2qbd n ASP 47 Cb 0.16 2.79 -0.07 0.00 -0.72 0.00 0.00 41.12 43.28 2qbd n ASP 47 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2qbd s PHE 48 N -3.33 -0.68 -0.07 -0.67 -0.71 -1.26 -2.03 117.98 109.23 2qbd s PHE 48 Ca 0.17 1.50 -0.06 0.00 -1.04 0.00 0.00 56.93 57.51 2qbd s PHE 48 Cb -0.03 0.34 0.03 0.00 -1.21 0.00 0.00 43.02 42.14 2qbd s PHE 48 CO 0.13 -0.43 0.19 0.21 -1.34 0.00 0.00 175.22 173.97 2qbd s LYS 49 N -0.24 0.19 -0.46 1.99 2.47 -0.46 -4.97 119.74 118.27 2qbd s LYS 49 Ca -0.03 0.32 -0.13 0.00 -1.56 0.00 0.00 55.97 54.56 2qbd s LYS 49 Cb -0.03 0.03 0.08 0.00 -1.46 0.00 0.00 37.83 36.45 2qbd s LYS 49 CO 0.03 -0.07 0.36 0.54 0.16 0.00 0.00 175.35 176.37 2qbd s VAL 50 N 0.45 4.83 0.00 4.02 0.11 -1.26 0.43 120.40 128.98 2qbd s VAL 50 Ca -0.03 -1.25 0.00 0.00 -2.93 0.00 0.00 61.98 57.77 2qbd s VAL 50 Cb -0.04 -3.94 0.00 0.00 -1.53 0.00 0.00 36.38 30.87 2qbd s VAL 50 CO -0.02 -0.59 0.00 1.21 -3.33 0.00 0.00 175.10 172.37 2qbd n GLU 51 N 5.09 1.05 -0.63 1.54 2.13 0.30 -4.79 120.64 125.32 2qbd n GLU 51 Ca -0.12 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.71 2qbd n GLU 51 Cb 0.43 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.14 2qbd n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qbd n GLY 52 N 5.00 -3.29 0.40 8.31 0.00 -1.26 -2.68 105.19 111.67 2qbd n GLY 52 Ca 0.00 -1.13 -0.21 0.00 0.00 0.00 0.00 46.02 44.68 2qbd n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qbd n ASP 53 N -2.03 1.36 -0.22 1.61 -0.08 -1.26 -4.60 116.55 111.34 2qbd n ASP 53 Ca -0.00 0.24 0.05 0.00 -1.51 0.00 0.00 54.79 53.56 2qbd n ASP 53 Cb 0.20 -0.57 -0.00 0.00 2.34 0.00 0.00 41.12 43.09 2qbd n ASP 53 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2qbd n THR 54 N -3.87 0.00 -3.47 5.18 5.66 -1.26 -4.77 114.28 111.75 2qbd n THR 54 Ca -0.38 -0.39 -0.28 0.00 -3.05 0.00 0.00 64.05 59.95 2qbd n THR 54 Cb 0.77 1.12 -0.11 0.00 -1.55 0.00 0.00 70.33 70.55 2qbd n THR 54 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2qbd s LYS 55 N -1.40 0.75 -0.09 1.09 -0.14 -1.26 -5.12 119.74 113.56 2qbd s LYS 55 Ca 0.08 -1.66 -0.29 0.00 -1.36 0.00 0.00 55.97 52.74 2qbd s LYS 55 Cb 0.08 -1.45 -0.05 0.00 -1.68 0.00 0.00 37.83 34.74 2qbd s LYS 55 CO 0.26 -1.26 1.63 -1.25 -0.76 0.00 0.00 175.35 173.97 2qbd s PRO 56 N 0.66 4.11 -0.23 -1.68 0.04 -1.26 -4.18 135.00 132.46 2qbd s PRO 56 Ca 0.23 2.07 -0.05 0.00 0.04 0.00 0.00 61.00 63.29 2qbd s PRO 56 Cb -0.14 -3.98 -0.01 0.00 0.04 0.00 0.00 34.50 30.40 2qbd s PRO 56 CO -0.06 -0.92 -0.01 -1.21 0.04 0.00 0.00 177.00 174.84 2qbd s GLU 57 N 4.13 3.46 -0.37 4.56 8.01 -1.09 0.97 118.70 138.37 2qbd s GLU 57 Ca 0.72 -0.58 -0.20 0.00 0.01 0.00 0.00 54.97 54.92 2qbd s GLU 57 Cb -0.31 -3.11 0.01 0.00 -4.31 0.00 0.00 34.13 26.40 2qbd s GLU 57 CO 0.28 -0.20 0.62 -1.17 0.01 0.00 0.00 175.26 174.81 2qbd s LEU 58 N 1.52 4.31 -0.39 1.80 0.20 0.25 -0.54 118.68 125.83 2qbd s LEU 58 Ca 0.06 0.04 -0.21 0.00 0.69 0.00 0.00 54.13 54.70 2qbd s LEU 58 Cb -0.15 -2.75 0.01 0.00 -0.43 0.00 0.00 46.19 42.88 2qbd s LEU 58 CO -0.01 -0.61 0.69 -0.70 -0.29 0.00 0.00 176.35 175.43 2qbd s GLU 59 N 2.68 3.58 -0.46 1.98 2.12 0.17 -2.52 118.70 126.24 2qbd s GLU 59 Ca 0.23 0.00 -0.08 0.00 0.36 0.00 0.00 54.97 55.48 2qbd s GLU 59 Cb -0.15 -3.86 0.12 0.00 0.26 0.00 0.00 34.13 30.51 2qbd s GLU 59 CO 0.15 -0.87 0.33 -1.17 -0.54 0.00 0.00 175.26 173.16 2qbd s LEU 60 N 2.91 5.65 -0.41 2.70 2.96 0.81 -1.35 118.68 131.96 2qbd s LEU 60 Ca 0.26 -1.93 -0.28 0.00 -0.22 0.00 0.00 54.13 51.96 2qbd s LEU 60 Cb -0.14 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 2qbd s LEU 60 CO 0.17 -0.68 1.64 0.42 -1.32 0.00 0.00 176.35 176.59 2qbd s THR 61 N 1.34 3.63 1.08 3.68 -4.23 -0.86 -1.52 115.64 118.76 2qbd s THR 61 Ca 0.06 0.62 -0.12 0.00 -1.18 0.00 0.00 61.69 61.07 2qbd s THR 61 Cb -0.26 -3.93 0.24 0.00 1.34 0.00 0.00 72.50 69.89 2qbd s THR 61 CO -0.01 -0.64 1.07 -0.76 -0.54 0.00 0.00 174.62 173.73 2qbd s LEU 62 N 6.55 1.54 0.02 4.79 1.02 -1.06 -2.24 118.68 129.29 2qbd s LEU 62 Ca 0.70 1.77 0.02 0.00 0.02 0.00 0.00 54.13 56.64 2qbd s LEU 62 Cb -0.17 -3.84 -0.01 0.00 0.02 0.00 0.00 46.19 42.18 2qbd s LEU 62 CO 0.31 -3.85 -0.07 -0.75 0.02 0.00 0.00 176.35 172.01 2qbd s LYS 63 N -4.52 0.53 -0.01 1.70 2.20 -1.26 -4.28 119.74 114.10 2qbd s LYS 63 Ca 0.68 -0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.85 2qbd s LYS 63 Cb -0.24 -0.45 0.02 0.00 -1.51 0.00 0.00 37.83 35.65 2qbd s LYS 63 CO 0.62 0.11 0.00 0.71 -0.36 0.00 0.00 175.35 176.44 2qbd s TYR 64 N -0.63 0.16 0.00 4.03 1.51 -1.26 -1.80 117.35 119.36 2qbd s TYR 64 Ca -0.02 0.03 0.00 0.00 -1.01 0.00 0.00 57.07 56.07 2qbd s TYR 64 Cb -0.05 -0.23 0.00 0.00 -0.11 0.00 0.00 41.96 41.57 2qbd s TYR 64 CO 0.00 -0.07 0.00 0.34 -1.11 0.00 0.00 175.55 174.72 2qbd n PHE 65 N 3.70 0.00 0.00 2.71 7.35 -0.59 -4.87 117.46 125.76 2qbd n PHE 65 Ca -0.21 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.48 2qbd n PHE 65 Cb 0.54 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.37 2qbd n PHE 65 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2qbd n GLN 66 N 0.00 0.00 -1.35 -4.13 6.02 -1.26 -4.66 117.38 112.00 2qbd n GLN 66 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.76 2qbd n GLN 66 Cb 0.00 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.19 2qbd n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qbd n GLY 67 N 3.02 4.05 3.62 1.08 0.00 -1.26 -4.84 105.19 110.86 2qbd n GLY 67 Ca 0.00 -1.69 -0.03 0.00 0.00 0.00 0.00 46.02 44.30 2qbd n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qbd s LYS 68 N -1.18 0.58 0.45 1.61 2.47 -1.26 -5.17 119.74 117.23 2qbd s LYS 68 Ca 0.58 -0.28 -0.07 0.00 -1.56 0.00 0.00 55.97 54.65 2qbd s LYS 68 Cb 0.36 0.22 -0.05 0.00 -1.46 0.00 0.00 37.83 36.91 2qbd s LYS 68 CO -0.16 -0.26 0.77 0.00 0.16 0.00 0.00 175.35 175.86 2qbd s ALA 69 N -2.68 3.39 0.01 3.13 0.00 -1.26 -1.54 121.76 122.80 2qbd s ALA 69 Ca 0.11 -0.41 -0.25 0.00 0.00 0.00 0.00 51.96 51.41 2qbd s ALA 69 Cb 0.01 -2.61 -0.16 0.00 0.00 0.00 0.00 23.12 20.35 2qbd s ALA 69 CO -0.04 -0.22 1.23 0.28 0.00 0.00 0.00 175.76 177.01 2qbd h VAL 70 N 0.53 0.69 -2.12 0.00 2.07 -1.65 -3.40 116.25 112.36 2qbd h VAL 70 Ca -0.47 -0.60 -0.52 0.00 0.82 0.00 0.00 66.70 65.94 2qbd h VAL 70 Cb 1.20 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 31.90 2qbd h VAL 70 CO 0.62 0.11 1.19 -0.69 0.02 0.00 0.00 177.57 178.83 2qbd s VAL 71 N -4.66 3.56 -0.35 2.57 1.01 -1.26 -4.78 120.40 116.49 2qbd s VAL 71 Ca -0.14 0.27 0.22 0.00 0.00 0.00 0.00 61.98 62.33 2qbd s VAL 71 Cb 0.02 -4.48 -0.17 0.00 0.00 0.00 0.00 36.38 31.75 2qbd s VAL 71 CO 0.54 -1.44 0.84 -1.84 0.00 0.00 0.00 175.10 173.20 2qbd n GLU 72 N 9.27 0.47 -3.66 2.72 0.00 -1.25 -4.89 120.64 123.31 2qbd n GLU 72 Ca 0.12 -0.04 -0.08 0.00 0.00 0.00 0.00 57.16 57.16 2qbd n GLU 72 Cb 0.50 -1.62 -0.09 0.00 0.00 0.00 0.00 31.44 30.24 2qbd n GLU 72 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2qbd s SER 73 N -4.40 -0.39 -0.26 -1.84 0.15 -1.26 -5.04 113.70 100.65 2qbd s SER 73 Ca -0.01 1.06 -0.02 0.00 0.70 0.00 0.00 55.95 57.68 2qbd s SER 73 Cb 0.13 1.40 0.15 0.00 -1.71 0.00 0.00 66.02 66.00 2qbd s SER 73 CO 0.84 -0.23 0.46 -0.51 1.20 0.00 0.00 173.24 175.00 2qbd s ILE 74 N 2.51 -0.74 0.00 6.45 2.07 -1.25 -0.94 121.20 129.30 2qbd s ILE 74 Ca -0.03 -0.06 0.03 0.00 -1.41 0.00 0.00 60.65 59.18 2qbd s ILE 74 Cb -0.12 -0.88 -0.01 0.00 0.13 0.00 0.00 42.46 41.58 2qbd s ILE 74 CO -0.14 -0.09 -0.08 -1.10 -1.91 0.00 0.00 174.94 171.63 2qbd s GLN 75 N 2.65 0.64 0.70 3.50 1.11 -1.21 -4.84 119.66 122.22 2qbd s GLN 75 Ca 0.15 -0.34 -0.16 0.00 0.01 0.00 0.00 55.36 55.03 2qbd s GLN 75 Cb -0.15 -0.61 0.02 0.00 -1.01 0.00 0.00 33.01 31.27 2qbd s GLN 75 CO -0.18 0.16 1.21 0.50 0.01 0.00 0.00 175.29 176.99 2qbd s ARG 76 N -0.34 2.30 0.02 2.91 6.06 -1.26 -2.17 118.95 126.47 2qbd s ARG 76 Ca 0.02 1.79 0.00 0.00 -2.50 0.00 0.00 55.73 55.04 2qbd s ARG 76 Cb -0.04 -1.85 0.00 0.00 0.06 0.00 0.00 34.95 33.12 2qbd s ARG 76 CO -0.00 -1.72 0.00 0.28 -2.50 0.00 0.00 175.30 171.36 2qbd n VAL 77 N -2.50 0.12 -1.14 7.11 0.31 0.08 -4.86 118.33 117.46 2qbd n VAL 77 Ca 0.14 0.04 -0.33 0.00 -0.01 0.00 0.00 64.34 64.18 2qbd n VAL 77 Cb 0.50 -0.79 -0.04 0.00 -0.91 0.00 0.00 33.84 32.60 2qbd n VAL 77 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2qbd n SER 78 N -2.64 7.55 -4.74 4.52 2.88 -1.22 -4.83 113.62 115.15 2qbd n SER 78 Ca 0.00 -2.50 -0.30 0.00 -1.33 0.00 0.00 58.87 54.74 2qbd n SER 78 Cb 0.00 -1.43 0.12 0.00 -0.75 0.00 0.00 64.21 62.16 2qbd n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qbd s ARG 79 N 2.37 1.53 1.15 -1.46 1.70 -1.25 -4.65 118.95 118.34 2qbd s ARG 79 Ca 0.62 0.86 -0.16 0.00 -0.47 0.00 0.00 55.73 56.59 2qbd s ARG 79 Cb 0.17 -1.84 0.26 0.00 -0.57 0.00 0.00 34.95 32.98 2qbd s ARG 79 CO -0.05 -2.06 1.06 -1.25 -1.08 0.00 0.00 175.30 171.92 2qbd s PRO 80 N -4.96 -0.81 -0.24 3.89 0.04 -1.26 -2.81 135.00 128.85 2qbd s PRO 80 Ca 0.63 0.38 0.00 0.00 0.04 0.00 0.00 61.00 62.05 2qbd s PRO 80 Cb -0.17 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.76 2qbd s PRO 80 CO 0.56 -3.54 0.00 0.41 0.04 0.00 0.00 177.00 174.48 2qbd n GLY 81 N -0.27 0.22 0.00 0.56 0.00 -1.26 -4.58 105.19 99.86 2qbd n GLY 81 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2qbd n GLY 81 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qbd n LEU 82 N -0.27 0.00 -4.81 0.99 -0.00 -1.19 -5.16 117.00 106.56 2qbd n LEU 82 Ca -0.02 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.65 2qbd n LEU 82 Cb 0.48 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.86 2qbd n LEU 82 CO 0.03 0.00 0.69 -0.13 -0.00 0.00 0.00 177.39 177.99 2qbd s ARG 83 N 0.00 3.89 -0.07 1.96 1.81 -1.12 -3.86 118.95 121.55 2qbd s ARG 83 Ca 0.00 1.25 0.03 0.00 -1.72 0.00 0.00 55.73 55.29 2qbd s ARG 83 Cb 0.00 -2.12 0.01 0.00 -0.45 0.00 0.00 34.95 32.39 2qbd s ARG 83 CO 0.00 -0.34 -0.15 0.42 -0.68 0.00 0.00 175.30 174.54 2qbd s ILE 84 N -2.12 1.38 -0.05 1.52 1.01 -1.26 -5.00 121.20 116.67 2qbd s ILE 84 Ca 0.65 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.67 2qbd s ILE 84 Cb -0.14 -1.23 0.02 0.00 0.01 0.00 0.00 42.46 41.13 2qbd s ILE 84 CO 0.20 0.41 -0.04 -0.31 0.00 0.00 0.00 174.94 175.20 2qbd s TYR 85 N 0.50 0.79 0.41 3.97 1.51 -1.26 -3.04 117.35 120.22 2qbd s TYR 85 Ca -0.14 -0.23 0.07 0.00 -1.01 0.00 0.00 57.07 55.76 2qbd s TYR 85 Cb -0.16 -0.73 -0.07 0.00 -0.11 0.00 0.00 41.96 40.89 2qbd s TYR 85 CO 0.05 -0.24 0.06 0.15 -1.11 0.00 0.00 175.55 174.46 2qbd s LYS 86 N 1.16 2.04 0.33 -0.62 -0.14 -0.98 -4.99 119.74 116.54 2qbd s LYS 86 Ca -0.07 -2.04 0.05 0.00 -1.36 0.00 0.00 55.97 52.55 2qbd s LYS 86 Cb -0.14 -1.74 -0.01 0.00 -1.68 0.00 0.00 37.83 34.26 2qbd s LYS 86 CO -0.01 -0.07 0.47 1.03 -0.76 0.00 0.00 175.35 176.01 2qbd s ARG 87 N -3.77 3.20 0.30 1.68 0.52 -1.26 -2.70 118.95 116.93 2qbd s ARG 87 Ca 0.37 -0.86 0.03 0.00 -0.52 0.00 0.00 55.73 54.75 2qbd s ARG 87 Cb 0.08 -2.80 0.63 0.00 0.52 0.00 0.00 34.95 33.38 2qbd s ARG 87 CO 0.19 0.11 1.84 1.57 0.02 0.00 0.00 175.30 179.03 2qbd h LYS 88 N 0.89 0.88 -0.57 3.54 2.10 -1.90 0.69 116.57 122.20 2qbd h LYS 88 Ca -0.47 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.12 2qbd h LYS 88 Cb 1.25 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 2qbd h LYS 88 CO 0.56 0.59 0.00 -0.40 -2.00 0.00 0.00 179.45 178.19 2qbd n ASP 89 N -4.62 2.49 -1.13 7.07 5.68 -1.26 -3.75 116.55 121.03 2qbd n ASP 89 Ca 0.19 -2.21 0.03 0.00 -0.50 0.00 0.00 54.79 52.30 2qbd n ASP 89 Cb 0.40 -0.40 0.02 0.00 -1.14 0.00 0.00 41.12 40.00 2qbd n ASP 89 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2qbd n GLU 90 N 0.40 0.08 -2.71 0.11 1.02 0.23 -5.09 120.64 114.69 2qbd n GLU 90 Ca 0.12 -1.75 -0.41 0.00 -0.02 0.00 0.00 57.16 55.11 2qbd n GLU 90 Cb 0.48 -0.24 -0.04 0.00 -0.02 0.00 0.00 31.44 31.62 2qbd n GLU 90 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2qbd s LEU 91 N -0.16 4.50 0.58 -4.62 1.43 -0.72 -4.27 118.68 115.41 2qbd s LEU 91 Ca 0.24 1.82 -0.18 0.00 -1.03 0.00 0.00 54.13 54.98 2qbd s LEU 91 Cb 0.27 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.86 2qbd s LEU 91 CO -0.11 -0.08 1.11 -2.16 0.23 0.00 0.00 176.35 175.34 2qbd s PRO 92 N -0.02 3.21 -0.32 1.29 0.04 -1.26 -5.04 135.00 132.91 2qbd s PRO 92 Ca 0.47 1.50 0.02 0.00 0.04 0.00 0.00 61.00 63.04 2qbd s PRO 92 Cb -0.24 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 32.39 2qbd s PRO 92 CO 0.30 -0.94 0.02 0.15 0.04 0.00 0.00 177.00 176.57 2qbd s LYS 93 N -3.58 1.84 0.15 4.56 1.02 -1.26 -4.85 119.74 117.62 2qbd s LYS 93 Ca 0.70 -1.67 -0.30 0.00 0.02 0.00 0.00 55.97 54.72 2qbd s LYS 93 Cb -0.22 -3.16 -0.08 0.00 -0.52 0.00 0.00 37.83 33.86 2qbd s LYS 93 CO 0.32 -0.82 1.28 0.08 -0.92 0.00 0.00 175.35 175.28 2qbd s VAL 94 N 1.01 3.47 -1.43 3.17 1.01 -1.26 -3.65 120.40 122.72 2qbd s VAL 94 Ca 0.04 1.15 -0.01 0.00 0.00 0.00 0.00 61.98 63.16 2qbd s VAL 94 Cb -0.20 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.45 2qbd s VAL 94 CO -0.06 0.14 0.33 0.80 0.00 0.00 0.00 175.10 176.31 2qbd n MET 95 N 3.09 -2.69 -1.13 2.72 0.00 -1.26 -0.51 117.12 117.35 2qbd n MET 95 Ca 0.07 0.33 -0.09 0.00 -0.00 0.00 0.00 57.70 58.02 2qbd n MET 95 Cb 0.44 -4.28 -0.04 0.00 0.00 0.00 0.00 33.22 29.34 2qbd n MET 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2qbd n ALA 96 N -4.45 -0.13 0.00 -5.12 0.00 -1.24 -0.85 120.51 108.72 2qbd n ALA 96 Ca -0.31 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2qbd n ALA 96 Cb 0.69 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.84 2qbd n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbd n GLY 97 N 0.10 1.30 0.28 0.00 0.00 0.34 -4.92 105.19 102.27 2qbd n GLY 97 Ca -0.09 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.12 2qbd n GLY 97 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qbd h LEU 98 N 0.00 0.00-10.19 0.99 3.38 -0.99 -3.44 115.31 105.06 2qbd h LEU 98 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 2qbd h LEU 98 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 2qbd h LEU 98 CO 0.00 0.00 -0.37 -0.83 0.09 0.00 0.00 178.44 177.33 2qbd s GLY 99 N -4.10 2.31 0.27 0.83 0.00 -0.52 -4.96 107.32 101.15 2qbd s GLY 99 Ca -0.00 -1.61 0.07 0.00 0.00 0.00 0.00 44.72 43.18 2qbd s GLY 99 CO 0.48 -1.87 -0.08 -0.26 0.00 0.00 0.00 173.10 171.36 2qbd s ILE 100 N -2.65 1.76 -0.28 0.90 -4.36 -0.42 -4.34 121.20 111.81 2qbd s ILE 100 Ca 0.39 -2.16 -0.03 0.00 -0.26 0.00 0.00 60.65 58.59 2qbd s ILE 100 Cb -0.01 -2.39 0.09 0.00 1.25 0.00 0.00 42.46 41.41 2qbd s ILE 100 CO 0.23 -0.35 0.11 0.00 0.24 0.00 0.00 174.94 175.17 2qbd s ALA 101 N -2.94 0.94 -0.04 2.27 0.00 -1.26 -1.56 121.76 119.17 2qbd s ALA 101 Ca 0.29 -1.16 -0.33 0.00 0.00 0.00 0.00 51.96 50.75 2qbd s ALA 101 Cb 0.02 -1.41 -0.11 0.00 0.00 0.00 0.00 23.12 21.62 2qbd s ALA 101 CO 0.12 -1.56 1.87 0.28 0.00 0.00 0.00 175.76 176.47 2qbd n VAL 102 N 5.10 0.56 -4.73 0.00 0.31 -1.04 -1.82 118.33 116.71 2qbd n VAL 102 Ca -0.05 -0.10 -0.26 0.00 -0.01 0.00 0.00 64.34 63.92 2qbd n VAL 102 Cb 0.43 -1.93 -0.17 0.00 -0.91 0.00 0.00 33.84 31.26 2qbd n VAL 102 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2qbd s VAL 103 N 3.87 1.34 -0.69 2.52 1.01 0.52 -0.79 120.40 128.17 2qbd s VAL 103 Ca 0.91 -0.60 -0.19 0.00 0.00 0.00 0.00 61.98 62.10 2qbd s VAL 103 Cb -0.64 -1.20 0.11 0.00 0.00 0.00 0.00 36.38 34.65 2qbd s VAL 103 CO 0.49 0.40 0.85 -0.55 0.00 0.00 0.00 175.10 176.29 2qbd s SER 104 N 0.59 6.31 0.50 3.32 0.15 -0.22 -1.12 113.70 123.23 2qbd s SER 104 Ca -0.16 -1.55 0.04 0.00 0.70 0.00 0.00 55.95 54.99 2qbd s SER 104 Cb -0.16 -2.34 0.02 0.00 -1.71 0.00 0.00 66.02 61.83 2qbd s SER 104 CO 0.05 -1.14 0.69 0.42 1.20 0.00 0.00 173.24 174.46 2qbd s THR 105 N 2.81 2.86 -0.62 6.45 -4.23 0.27 -2.65 115.64 120.54 2qbd s THR 105 Ca 0.18 -0.79 0.11 0.00 -1.18 0.00 0.00 61.69 60.02 2qbd s THR 105 Cb -0.18 -3.02 0.11 0.00 1.34 0.00 0.00 72.50 70.75 2qbd s THR 105 CO 0.03 -0.01 1.35 -0.24 -0.54 0.00 0.00 174.62 175.21 2qbd n SER 106 N -2.14 0.28 -0.08 3.99 2.88 -1.26 -0.02 113.62 117.27 2qbd n SER 106 Ca 0.08 0.62 0.11 0.00 -1.33 0.00 0.00 58.87 58.35 2qbd n SER 106 Cb 0.59 -0.66 0.02 0.00 -0.75 0.00 0.00 64.21 63.41 2qbd n SER 106 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2qbd n LYS 107 N -1.87 0.22 0.00 -1.46 4.76 -1.26 -5.07 118.16 113.47 2qbd n LYS 107 Ca -0.00 -0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 2qbd n LYS 107 Cb 0.04 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.73 2qbd n LYS 107 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qbd n GLY 108 N 1.48 0.82 3.53 0.72 0.00 0.97 -5.01 105.19 107.71 2qbd n GLY 108 Ca 0.06 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 2qbd n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbd s VAL 109 N -1.00 4.47 0.32 1.61 1.01 -1.26 -0.56 120.40 124.98 2qbd s VAL 109 Ca 0.00 0.36 0.03 0.00 0.00 0.00 0.00 61.98 62.37 2qbd s VAL 109 Cb 0.00 -4.47 -0.06 0.00 0.00 0.00 0.00 36.38 31.85 2qbd s VAL 109 CO 0.00 -0.98 0.07 0.00 0.00 0.00 0.00 175.10 174.19 2qbd s MET 110 N 3.75 1.62 0.49 2.72 0.00 -0.27 -4.81 119.30 122.80 2qbd s MET 110 Ca 0.31 -1.90 -0.19 0.00 0.00 0.00 0.00 55.69 53.91 2qbd s MET 110 Cb -0.12 -0.70 -0.08 0.00 0.00 0.00 0.00 34.83 33.92 2qbd s MET 110 CO 0.21 -0.24 1.00 0.95 0.00 0.00 0.00 175.02 176.94 2qbd s THR 111 N -3.40 4.22 0.16 3.16 -4.23 -1.26 -0.36 115.64 113.93 2qbd s THR 111 Ca 0.36 1.23 -0.20 0.00 -1.18 0.00 0.00 61.69 61.90 2qbd s THR 111 Cb 0.08 -3.57 0.07 0.00 1.34 0.00 0.00 72.50 70.42 2qbd s THR 111 CO 0.15 -0.44 1.64 -2.24 -0.54 0.00 0.00 174.62 173.19 2qbd h ASP 112 N 1.32 -0.63 -0.65 3.99 2.03 -1.72 -0.77 116.42 119.99 2qbd h ASP 112 Ca -0.48 0.14 0.14 0.00 -0.73 0.00 0.00 57.03 56.09 2qbd h ASP 112 Cb 1.20 0.33 -0.11 0.00 -0.83 0.00 0.00 39.33 39.92 2qbd h ASP 112 CO 0.60 -0.22 0.05 -0.09 -1.03 0.00 0.00 179.24 178.55 2qbd h ARG 113 N -0.14 0.16 0.51 4.15 2.43 -1.91 0.28 114.38 119.85 2qbd h ARG 113 Ca 0.17 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 2qbd h ARG 113 Cb 0.40 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2qbd h ARG 113 CO -0.42 0.10 -0.24 0.00 -1.51 0.00 0.00 179.97 177.89 2qbd h ALA 114 N 1.58 -0.68 -0.78 2.80 0.00 -1.72 -3.07 119.26 117.38 2qbd h ALA 114 Ca 0.35 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.15 2qbd h ALA 114 Cb 0.57 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 2qbd h ALA 114 CO -0.52 -0.76 0.44 0.00 0.00 0.00 0.00 179.25 178.40 2qbd h ALA 115 N -0.58 1.08 -0.35 0.00 0.00 -0.80 -0.26 119.26 118.35 2qbd h ALA 115 Ca -0.07 0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.97 2qbd h ALA 115 Cb 0.61 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2qbd h ALA 115 CO 0.11 0.09 0.30 -0.09 0.00 0.00 0.00 179.25 179.67 2qbd h ARG 116 N 0.77 0.00 0.05 0.00 2.43 -0.46 -0.96 114.38 116.20 2qbd h ARG 116 Ca 0.36 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 59.21 2qbd h ARG 116 Cb 0.29 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 2qbd h ARG 116 CO -0.22 0.00 -1.83 1.04 -1.51 0.00 0.00 179.97 177.45 2qbd n GLN 117 N -4.06 0.68 0.00 0.20 6.02 -0.24 -3.83 117.38 116.14 2qbd n GLN 117 Ca 0.06 0.28 0.02 0.00 -0.01 0.00 0.00 57.00 57.35 2qbd n GLN 117 Cb 0.48 -1.76 0.14 0.00 1.02 0.00 0.00 30.24 30.12 2qbd n GLN 117 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qbd n ALA 118 N -2.72 1.84 -3.63 -1.58 0.00 -0.38 -4.80 120.51 109.24 2qbd n ALA 118 Ca -0.23 -0.03 -0.24 0.00 0.00 0.00 0.00 53.44 52.94 2qbd n ALA 118 Cb 1.05 -1.08 0.07 0.00 0.00 0.00 0.00 19.45 19.50 2qbd n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbd n GLY 119 N -0.27 -0.52 3.27 0.00 0.00 -1.13 -5.00 105.19 101.54 2qbd n GLY 119 Ca 0.04 0.23 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 2qbd n GLY 119 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2qbd s LEU 120 N -7.21 0.70 0.55 0.99 2.34 -1.19 -5.01 118.68 109.86 2qbd s LEU 120 Ca 0.53 0.16 0.05 0.00 0.06 0.00 0.00 54.13 54.93 2qbd s LEU 120 Cb -0.24 1.39 0.04 0.00 -0.56 0.00 0.00 46.19 46.82 2qbd s LEU 120 CO 0.75 -0.46 0.39 -0.83 -1.06 0.00 0.00 176.35 175.14 2qbd s GLY 121 N -1.28 2.44 -0.02 -3.48 0.00 -1.26 -4.34 107.32 99.38 2qbd s GLY 121 Ca -0.13 -1.11 -0.07 0.00 0.00 0.00 0.00 44.72 43.41 2qbd s GLY 121 CO 0.05 -1.97 0.33 0.61 0.00 0.00 0.00 173.10 172.12 2qbd n GLY 122 N -1.76 0.40 3.65 0.20 0.00 -1.10 -4.41 105.19 102.16 2qbd n GLY 122 Ca -0.03 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 2qbd n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qbd s GLU 123 N -2.00 4.19 1.36 1.61 2.12 -1.08 -2.31 118.70 122.58 2qbd s GLU 123 Ca 0.08 1.19 -0.19 0.00 0.36 0.00 0.00 54.97 56.41 2qbd s GLU 123 Cb -0.00 -3.67 0.35 0.00 0.26 0.00 0.00 34.13 31.07 2qbd s GLU 123 CO -0.01 -0.67 0.94 0.42 -0.54 0.00 0.00 175.26 175.41 2qbd s ILE 124 N 3.22 1.48 0.00 -3.70 1.01 -1.17 -1.05 121.20 120.99 2qbd s ILE 124 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.07 2qbd s ILE 124 Cb -0.14 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.32 2qbd s ILE 124 CO 0.08 0.00 0.00 -0.38 0.00 0.00 0.00 174.94 174.64 2qbd n ILE 125 N -5.50 0.00 -3.78 2.92 5.41 0.03 -4.35 119.36 114.08 2qbd n ILE 125 Ca 0.08 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.85 2qbd n ILE 125 Cb 0.58 -0.19 0.00 0.00 -0.71 0.00 0.00 39.64 39.32 2qbd n ILE 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qbd s TYR 127 N -2.27 2.83 -0.36 0.00 2.02 -0.92 -2.51 117.35 116.15 2qbd s TYR 127 Ca 0.20 -2.16 -0.11 0.00 -0.37 0.00 0.00 57.07 54.64 2qbd s TYR 127 Cb 0.02 -1.96 0.01 0.00 -0.40 0.00 0.00 41.96 39.64 2qbd s TYR 127 CO -0.02 -0.85 0.20 0.08 -1.57 0.00 0.00 175.55 173.40 2qbd s VAL 128 N 1.24 4.68 -2.05 0.71 1.01 -0.60 -3.28 120.40 122.11 2qbd s VAL 128 Ca -0.02 -0.67 0.16 0.00 0.00 0.00 0.00 61.98 61.46 2qbd s VAL 128 Cb -0.19 -3.53 0.13 0.00 0.00 0.00 0.00 36.38 32.79 2qbd s VAL 128 CO -0.08 -0.14 1.02 0.00 0.00 0.00 0.00 175.10 175.90