#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqe s SER 2 N 0.00 4.67 -0.13 1.61 0.15 -1.26 -5.08 113.70 113.66 2aqe s SER 2 Ca 0.00 -0.25 -0.05 0.00 0.70 0.00 0.00 55.95 56.34 2aqe s SER 2 Cb 0.00 -1.80 0.06 0.00 -1.71 0.00 0.00 66.02 62.57 2aqe s SER 2 CO 0.00 0.05 0.27 0.54 1.20 0.00 0.00 173.24 175.30 2aqe s ASN 3 N 1.09 0.06 0.14 5.45 4.22 -1.26 -5.15 114.94 119.49 2aqe s ASN 3 Ca 0.02 0.61 -0.17 0.00 -2.14 0.00 0.00 52.86 51.18 2aqe s ASN 3 Cb -0.14 0.64 0.04 0.00 1.28 0.00 0.00 41.25 43.06 2aqe s ASN 3 CO 0.01 -0.21 0.44 -0.44 -2.04 0.00 0.00 177.10 174.86 2aqe s SER 4 N 1.97 -0.27 0.00 3.54 0.01 -1.26 -5.10 113.70 112.58 2aqe s SER 4 Ca -0.03 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2aqe s SER 4 Cb -0.11 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.62 2aqe s SER 4 CO -0.09 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.28 2aqe n GLY 5 N -0.26 -1.88 2.58 3.44 0.00 -1.26 -5.11 105.19 102.70 2aqe n GLY 5 Ca -0.15 0.85 -0.15 0.00 0.00 0.00 0.00 46.02 46.57 2aqe n GLY 5 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2aqe n ARG 6 N 0.00 0.40 -2.05 1.61 1.85 -1.26 -4.43 116.66 112.78 2aqe n ARG 6 Ca 0.00 -2.56 -0.28 0.00 -1.00 0.00 0.00 57.85 54.01 2aqe n ARG 6 Cb 0.00 -1.55 0.14 0.00 -1.05 0.00 0.00 32.46 30.01 2aqe n ARG 6 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2aqe s ARG 7 N 0.44 1.21 0.00 2.89 1.81 -1.26 -5.04 118.95 119.01 2aqe s ARG 7 Ca 0.32 -0.39 0.00 0.00 -1.72 0.00 0.00 55.73 53.93 2aqe s ARG 7 Cb 0.03 -1.97 0.00 0.00 -0.45 0.00 0.00 34.95 32.56 2aqe s ARG 7 CO -0.12 -1.99 0.39 -1.13 -0.68 0.00 0.00 175.30 171.76 2aqe n SER 8 N -3.46 0.00 -1.27 0.23 3.41 -1.26 -4.98 113.62 106.29 2aqe n SER 8 Ca 0.13 0.39 0.15 0.00 -0.26 0.00 0.00 58.87 59.28 2aqe n SER 8 Cb 0.60 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.49 2aqe n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aqe n ALA 9 N -0.97 -3.46 -1.60 7.33 0.00 -1.26 -4.52 120.51 116.03 2aqe n ALA 9 Ca 0.00 0.58 -0.49 0.00 0.00 0.00 0.00 53.44 53.53 2aqe n ALA 9 Cb 0.00 -1.28 -0.05 0.00 0.00 0.00 0.00 19.45 18.12 2aqe n ALA 9 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2aqe n PRO 10 N -3.87 1.71 -2.42 0.00 -0.02 -1.26 -4.88 135.00 124.25 2aqe n PRO 10 Ca -0.03 0.57 -0.43 0.00 -2.02 0.00 0.00 63.50 61.58 2aqe n PRO 10 Cb 0.64 -2.63 -0.02 0.00 -0.02 0.00 0.00 33.50 31.47 2aqe n PRO 10 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2aqe s PRO 11 N 5.07 3.75 0.00 0.52 0.02 -1.26 -4.79 135.00 138.31 2aqe s PRO 11 Ca 1.00 1.02 0.00 0.00 0.02 0.00 0.00 61.00 63.04 2aqe s PRO 11 Cb -0.72 -3.94 0.00 0.00 0.02 0.00 0.00 34.50 29.85 2aqe s PRO 11 CO 0.50 -1.34 0.00 1.28 -0.33 0.00 0.00 177.00 177.11 2aqe n LEU 12 N 8.14 0.00 0.20 -5.54 4.32 -1.26 -4.94 117.00 117.92 2aqe n LEU 12 Ca 0.15 0.00 0.18 0.00 -0.02 0.00 0.00 56.01 56.32 2aqe n LEU 12 Cb 0.47 0.00 0.75 0.00 -1.62 0.00 0.00 43.42 43.03 2aqe n LEU 12 CO 0.67 0.00 1.15 0.78 -1.22 0.00 0.00 177.39 178.77 2aqe h ASN 13 N 0.00 0.00 -0.26 -1.43 2.35 -1.93 0.72 115.58 115.03 2aqe h ASN 13 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2aqe h ASN 13 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2aqe h ASN 13 CO 0.00 0.00 0.00 -0.11 -1.65 0.00 0.00 177.43 175.67 2aqe n LEU 14 N -3.31 1.70 -4.74 1.61 7.94 -1.26 -4.55 117.00 114.39 2aqe n LEU 14 Ca 0.03 -0.85 -0.42 0.00 -1.11 0.00 0.00 56.01 53.66 2aqe n LEU 14 Cb 0.54 -0.25 -0.02 0.00 0.53 0.00 0.00 43.42 44.22 2aqe n LEU 14 CO 0.20 0.37 1.22 0.42 -1.11 0.00 0.00 177.39 178.49 2aqe s THR 15 N -1.64 2.36 0.00 1.96 -4.23 0.25 -4.54 115.64 109.81 2aqe s THR 15 Ca 0.19 0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.98 2aqe s THR 15 Cb 0.11 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.76 2aqe s THR 15 CO 0.11 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.84 2aqe n GLY 16 N 2.77 2.13 1.30 3.99 0.00 -1.26 -4.94 105.19 109.18 2aqe n GLY 16 Ca 0.10 0.36 0.15 0.00 0.00 0.00 0.00 46.02 46.63 2aqe n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2aqe n LEU 17 N 0.00 -0.78 -0.08 0.99 4.77 -1.26 -4.19 117.00 116.45 2aqe n LEU 17 Ca 0.00 1.79 -0.19 0.00 -0.03 0.00 0.00 56.01 57.58 2aqe n LEU 17 Cb 0.00 -3.72 -0.12 0.00 -2.33 0.00 0.00 43.42 37.25 2aqe n LEU 17 CO 0.00 -2.26 -0.23 1.55 -1.33 0.00 0.00 177.39 175.11 2aqe h PRO 18 N -1.35 0.02 0.00 3.23 0.13 -1.95 -3.36 132.00 128.71 2aqe h PRO 18 Ca -0.11 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.96 2aqe h PRO 18 Cb 1.26 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2aqe h PRO 18 CO 0.05 1.02 -0.15 0.78 -0.23 0.00 0.00 178.00 179.46 2aqe h GLY 19 N -0.90 0.00 -0.35 1.56 0.00 -1.95 -2.94 103.07 98.49 2aqe h GLY 19 Ca -0.24 0.00 0.31 0.00 0.00 0.00 0.00 47.33 47.41 2aqe h GLY 19 CO -0.12 0.00 0.75 -0.84 0.00 0.00 0.00 176.54 176.33 2aqe h THR 20 N 0.00 0.43 -0.13 4.70 2.02 -1.73 0.32 112.91 118.53 2aqe h THR 20 Ca -0.00 -0.08 -0.18 0.00 0.77 0.00 0.00 66.41 66.92 2aqe h THR 20 Cb 0.43 0.18 0.01 0.00 -1.74 0.00 0.00 68.15 67.02 2aqe h THR 20 CO 0.02 0.04 -0.62 -0.08 0.37 0.00 0.00 175.52 175.26 2aqe h GLU 21 N 0.23 0.64 -0.12 6.66 4.57 -1.73 -2.93 114.58 121.91 2aqe h GLU 21 Ca 0.62 -0.52 0.04 0.00 -1.18 0.00 0.00 59.36 58.31 2aqe h GLU 21 Cb 1.89 0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 30.58 2aqe h GLU 21 CO -0.23 1.14 0.17 0.87 -1.18 0.00 0.00 179.01 179.78 2aqe h LYS 22 N 0.30 0.00 -6.62 1.92 1.57 -0.52 -3.37 116.57 109.84 2aqe h LYS 22 Ca -0.04 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.18 2aqe h LYS 22 Cb 1.26 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.50 2aqe h LYS 22 CO 0.13 0.00 1.00 -0.51 -0.57 0.00 0.00 179.45 179.49 2aqe s LEU 23 N -7.23 3.58 0.97 2.94 1.43 -0.85 -4.99 118.68 114.53 2aqe s LEU 23 Ca -0.05 0.54 -0.15 0.00 -1.03 0.00 0.00 54.13 53.45 2aqe s LEU 23 Cb 0.14 -3.48 -0.03 0.00 0.03 0.00 0.00 46.19 42.86 2aqe s LEU 23 CO 0.50 -1.37 -0.04 -3.20 0.23 0.00 0.00 176.35 172.47 2aqe n ASN 24 N 8.38 -3.45 -0.27 2.29 2.85 -1.26 -3.86 115.26 119.94 2aqe n ASN 24 Ca 0.13 0.26 0.30 0.00 -0.11 0.00 0.00 54.58 55.16 2aqe n ASN 24 Cb 0.49 -1.04 0.68 0.00 1.24 0.00 0.00 39.78 41.15 2aqe n ASN 24 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 2aqe h GLU 25 N -1.38 0.10 -0.05 1.20 4.39 -1.94 0.95 114.58 117.85 2aqe h GLU 25 Ca -0.44 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.23 2aqe h GLU 25 Cb 1.29 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.92 2aqe h GLU 25 CO 0.30 0.07 -0.07 0.87 -1.16 0.00 0.00 179.01 179.02 2aqe h LYS 26 N 0.11 0.14 0.00 2.33 1.57 -2.01 -2.77 116.57 115.94 2aqe h LYS 26 Ca 0.52 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 59.15 2aqe h LYS 26 Cb 1.88 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 34.18 2aqe h LYS 26 CO -0.08 0.62 -0.33 0.93 -0.57 0.00 0.00 179.45 180.02 2aqe h GLU 27 N -0.33 0.00 0.49 3.15 5.08 -0.95 -2.16 114.58 119.86 2aqe h GLU 27 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2aqe h GLU 27 Cb 0.60 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2aqe h GLU 27 CO 0.02 0.33 -0.39 0.87 -1.00 0.00 0.00 179.01 178.84 2aqe h LYS 28 N 0.00 -0.84 -0.55 2.33 1.57 0.93 0.16 116.57 120.17 2aqe h LYS 28 Ca -0.00 0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2aqe h LYS 28 Cb 0.70 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 2aqe h LYS 28 CO 0.04 -0.56 0.18 1.49 -0.57 0.00 0.00 179.45 180.04 2aqe h GLU 29 N -0.87 0.85 -0.84 3.15 4.22 -1.43 -0.04 114.58 119.62 2aqe h GLU 29 Ca -0.05 -0.18 0.12 0.00 0.08 0.00 0.00 59.36 59.33 2aqe h GLU 29 Cb 0.74 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 2aqe h GLU 29 CO -0.00 0.77 0.55 1.25 -2.18 0.00 0.00 179.01 179.39 2aqe h LEU 30 N 0.76 0.65 0.06 1.64 7.12 -1.12 -1.03 115.31 123.40 2aqe h LEU 30 Ca 0.18 0.03 -0.15 0.00 0.13 0.00 0.00 57.88 58.07 2aqe h LEU 30 Cb 0.26 -0.10 0.02 0.00 -0.53 0.00 0.00 40.66 40.30 2aqe h LEU 30 CO -0.01 0.36 -0.63 0.00 -0.13 0.00 0.00 178.44 178.03 2aqe h GLN 32 N -0.31 0.00 0.00 0.00 4.20 -0.38 -2.47 115.11 116.16 2aqe h GLN 32 Ca -0.10 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 2aqe h GLN 32 Cb 1.41 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.18 2aqe h GLN 32 CO 0.12 0.00 -0.13 0.28 -0.67 0.00 0.00 178.83 178.43 2aqe h VAL 33 N 0.00 0.79 -1.68 -0.54 2.07 -1.22 -3.38 116.25 112.29 2aqe h VAL 33 Ca 0.09 -1.63 -0.74 0.00 0.82 0.00 0.00 66.70 65.24 2aqe h VAL 33 Cb 0.44 1.52 -0.15 0.00 -1.52 0.00 0.00 31.29 31.58 2aqe h VAL 33 CO -0.00 0.27 1.75 0.55 0.02 0.00 0.00 177.57 180.16 2aqe n VAL 34 N -4.67 4.23 -0.79 2.57 3.14 -0.92 -4.94 118.33 116.96 2aqe n VAL 34 Ca -0.07 -4.48 -0.18 0.00 -2.96 0.00 0.00 64.34 56.65 2aqe n VAL 34 Cb 0.26 -2.42 -0.09 0.00 -1.06 0.00 0.00 33.84 30.53 2aqe n VAL 34 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 2aqe n ARG 35 N 5.20 0.00 -3.58 1.45 1.85 -1.11 -4.75 116.66 115.72 2aqe n ARG 35 Ca 0.40 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 57.16 2aqe n ARG 35 Cb 0.40 -0.70 -0.09 0.00 -1.05 0.00 0.00 32.46 31.03 2aqe n ARG 35 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2aqe s LEU 36 N 3.09 -0.63 0.82 2.89 1.02 -1.25 -4.89 118.68 119.73 2aqe s LEU 36 Ca 0.70 0.79 -0.16 0.00 0.02 0.00 0.00 54.13 55.49 2aqe s LEU 36 Cb -0.59 1.26 -0.05 0.00 0.02 0.00 0.00 46.19 46.84 2aqe s LEU 36 CO 0.27 -0.25 0.17 1.33 0.02 0.00 0.00 176.35 177.90 2aqe n VAL 37 N 5.38 0.75 0.17 -1.59 0.24 -1.26 -4.54 118.33 117.49 2aqe n VAL 37 Ca -0.07 -0.37 -0.07 0.00 -2.04 0.00 0.00 64.34 61.79 2aqe n VAL 37 Cb 0.50 -0.49 -0.04 0.00 -1.47 0.00 0.00 33.84 32.34 2aqe n VAL 37 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 2aqe h PRO 38 N -0.80 -0.44 -1.11 7.34 0.11 -1.90 -0.90 132.00 134.30 2aqe h PRO 38 Ca -0.44 0.03 0.32 0.00 0.11 0.00 0.00 66.00 66.02 2aqe h PRO 38 Cb 1.33 0.10 -0.11 0.00 0.11 0.00 0.00 31.00 32.43 2aqe h PRO 38 CO 0.36 -0.29 0.70 0.78 -0.21 0.00 0.00 178.00 179.34 2aqe h GLY 39 N -0.45 1.38 0.77 -0.55 0.00 -1.91 1.13 103.07 103.45 2aqe h GLY 39 Ca -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 2aqe h GLY 39 CO 0.05 -0.26 -0.12 0.00 0.00 0.00 0.00 176.54 176.22 2aqe h ALA 40 N 1.65 -0.32 -0.65 3.60 0.00 -1.85 -2.43 119.26 119.27 2aqe h ALA 40 Ca 0.68 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.40 2aqe h ALA 40 Cb 1.80 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.68 2aqe h ALA 40 CO -0.38 -0.56 0.26 -0.92 0.00 0.00 0.00 179.25 177.65 2aqe h TYR 41 N -0.56 0.98 -1.02 0.00 3.20 0.84 -2.05 116.97 118.36 2aqe h TYR 41 Ca -0.03 -0.07 0.25 0.00 3.14 0.00 0.00 58.73 62.02 2aqe h TYR 41 Cb 0.41 -0.29 -0.09 0.00 1.54 0.00 0.00 36.73 38.30 2aqe h TYR 41 CO 0.00 0.77 0.66 -0.07 -1.64 0.00 0.00 178.16 177.88 2aqe h LEU 42 N 0.91 0.45 0.30 2.82 4.07 0.13 0.28 115.31 124.28 2aqe h LEU 42 Ca 0.22 0.08 -0.01 0.00 0.08 0.00 0.00 57.88 58.24 2aqe h LEU 42 Cb 0.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.94 2aqe h LEU 42 CO -0.02 0.11 -0.15 -0.08 -1.08 0.00 0.00 178.44 177.22 2aqe h GLU 43 N 0.41 -0.39 -0.39 1.13 4.57 -0.87 -2.69 114.58 116.34 2aqe h GLU 43 Ca 0.58 0.03 0.08 0.00 -1.18 0.00 0.00 59.36 58.87 2aqe h GLU 43 Cb 1.43 0.09 -0.09 0.00 -0.16 0.00 0.00 28.75 30.02 2aqe h GLU 43 CO -0.28 -0.26 -0.22 1.88 -1.18 0.00 0.00 179.01 178.95 2aqe h TYR 44 N -0.87 -0.56 -0.80 0.92 0.05 -1.08 0.27 116.97 114.89 2aqe h TYR 44 Ca -0.04 0.05 0.18 0.00 0.05 0.00 0.00 58.73 58.96 2aqe h TYR 44 Cb 0.31 0.31 -0.11 0.00 1.01 0.00 0.00 36.73 38.25 2aqe h TYR 44 CO 0.02 -0.30 0.27 -0.22 -1.05 0.00 0.00 178.16 176.88 2aqe h LYS 45 N -0.15 0.33 0.00 4.88 3.11 -0.56 1.21 116.57 125.39 2aqe h LYS 45 Ca 0.19 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.01 2aqe h LYS 45 Cb 0.45 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.60 2aqe h LYS 45 CO -0.49 0.22 0.00 0.43 -2.81 0.00 0.00 179.45 176.81 2aqe n SER 46 N -5.09 0.00 -0.01 4.20 7.64 0.03 -2.51 113.62 117.88 2aqe n SER 46 Ca 0.17 0.43 -0.21 0.00 1.01 0.00 0.00 58.87 60.27 2aqe n SER 46 Cb 0.52 -0.46 -0.13 0.00 -1.01 0.00 0.00 64.21 63.12 2aqe n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2aqe h ALA 47 N 2.46 0.21 -0.53 -0.43 0.00 0.20 -2.74 119.26 118.43 2aqe h ALA 47 Ca 0.00 -1.11 -0.03 0.00 0.00 0.00 0.00 54.91 53.77 2aqe h ALA 47 Cb 0.20 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2aqe h ALA 47 CO 0.00 0.82 0.20 -0.07 0.00 0.00 0.00 179.25 180.20 2aqe h LEU 48 N -0.40 0.69 -0.00 0.00 -0.00 -1.25 0.66 115.31 115.02 2aqe h LEU 48 Ca -0.31 -0.09 -0.00 0.00 -0.00 0.00 0.00 57.88 57.48 2aqe h LEU 48 Cb 1.69 -0.18 -0.00 0.00 -0.00 0.00 0.00 40.66 42.17 2aqe h LEU 48 CO 0.02 0.63 -0.00 -0.07 -0.00 0.00 0.00 178.44 179.02 2aqe h LEU 49 N 0.75 0.00 -0.26 1.67 -0.00 -1.61 -1.95 115.31 113.91 2aqe h LEU 49 Ca 0.18 -0.48 -0.01 0.00 -0.00 0.00 0.00 57.88 57.56 2aqe h LEU 49 Cb 0.16 -0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.81 2aqe h LEU 49 CO -0.02 0.48 0.11 -1.13 -0.00 0.00 0.00 178.44 177.89 2aqe h ASN 50 N -0.48 0.36 0.00 -0.43 -1.24 -1.26 -1.55 115.58 110.98 2aqe h ASN 50 Ca 0.00 -0.16 -0.00 0.00 0.71 0.00 0.00 56.30 56.85 2aqe h ASN 50 Cb 0.48 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.44 2aqe h ASN 50 CO 0.00 0.42 -0.00 -0.08 -1.29 0.00 0.00 177.43 176.48 2aqe h GLU 51 N 0.28 -0.01 -0.14 6.67 4.57 -0.93 -0.85 114.58 124.17 2aqe h GLU 51 Ca 0.09 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2aqe h GLU 51 Cb 0.17 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 2aqe h GLU 51 CO -0.01 0.02 0.06 0.00 -1.18 0.00 0.00 179.01 177.90 2aqe h HIS 53 N 0.20 0.28 0.00 0.00 2.76 -0.71 -2.11 115.15 115.57 2aqe h HIS 53 Ca 0.05 -0.13 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 2aqe h HIS 53 Cb 0.05 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 28.97 2aqe h HIS 53 CO 0.00 0.89 0.00 1.17 -1.30 0.00 0.00 177.93 178.69 2aqe n LYS 54 N -3.73 0.00 0.36 5.26 3.00 -0.38 -4.50 118.16 118.17 2aqe n LYS 54 Ca -0.03 0.41 -0.18 0.00 -0.00 0.00 0.00 58.31 58.51 2aqe n LYS 54 Cb 0.74 -0.91 -0.09 0.00 0.00 0.00 0.00 35.03 34.77 2aqe n LYS 54 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 2aqe h GLN 55 N 0.00 -0.85 0.00 1.64 1.08 -1.44 -3.48 115.11 112.05 2aqe h GLN 55 Ca 0.00 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2aqe h GLN 55 Cb 0.00 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2aqe h GLN 55 CO 0.00 -0.57 0.00 0.41 -0.95 0.00 0.00 178.83 177.72 2aqe n GLY 56 N -1.47 1.80 3.76 3.46 0.00 -0.79 -5.07 105.19 106.87 2aqe n GLY 56 Ca -0.13 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 2aqe n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2aqe s GLY 57 N 0.00 1.97 -0.35 -0.02 0.00 -1.26 -4.64 107.32 103.02 2aqe s GLY 57 Ca 0.00 -0.80 0.03 0.00 0.00 0.00 0.00 44.72 43.95 2aqe s GLY 57 CO 0.00 -0.61 0.08 -2.27 0.00 0.00 0.00 173.10 170.30 2aqe s LEU 58 N -1.24 4.14 0.79 0.66 1.98 -0.04 -4.76 118.68 120.20 2aqe s LEU 58 Ca 0.17 -2.13 -0.14 0.00 -2.89 0.00 0.00 54.13 49.14 2aqe s LEU 58 Cb -0.12 -1.45 0.07 0.00 0.66 0.00 0.00 46.19 45.35 2aqe s LEU 58 CO 0.07 -0.37 1.19 -1.14 -1.89 0.00 0.00 176.35 174.21 2aqe n ARG 59 N 4.27 0.29 0.10 1.98 0.63 -1.26 -3.54 116.66 119.13 2aqe n ARG 59 Ca 0.03 0.17 -0.04 0.00 -0.92 0.00 0.00 57.85 57.09 2aqe n ARG 59 Cb 0.41 -2.43 0.12 0.00 0.45 0.00 0.00 32.46 31.01 2aqe n ARG 59 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2aqe h LEU 60 N -0.73 0.17 0.36 6.15 5.85 -1.91 -2.50 115.31 122.70 2aqe h LEU 60 Ca -0.47 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.13 2aqe h LEU 60 Cb 1.31 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.29 2aqe h LEU 60 CO 0.47 0.77 -0.17 0.00 -0.34 0.00 0.00 178.44 179.16 2aqe h ALA 61 N 1.23 -0.48 -0.60 1.25 0.00 -2.00 -1.53 119.26 117.12 2aqe h ALA 61 Ca -0.01 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 54.89 2aqe h ALA 61 Cb 1.16 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 2aqe h ALA 61 CO 0.09 -0.63 0.43 1.96 0.00 0.00 0.00 179.25 181.10 2aqe h GLN 62 N -0.76 0.06 -0.36 0.00 7.50 -1.94 0.67 115.11 120.28 2aqe h GLN 62 Ca -0.05 -0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.04 2aqe h GLN 62 Cb 0.51 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.02 2aqe h GLN 62 CO 0.08 0.04 -0.02 0.00 -1.50 0.00 0.00 178.83 177.44 2aqe h ALA 63 N 1.70 0.49 -0.99 3.87 0.00 -0.97 -0.74 119.26 122.62 2aqe h ALA 63 Ca 0.29 -0.26 0.10 0.00 0.00 0.00 0.00 54.91 55.04 2aqe h ALA 63 Cb 1.07 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 2aqe h ALA 63 CO -0.02 0.28 0.62 0.00 0.00 0.00 0.00 179.25 180.13 2aqe h ARG 64 N 0.46 1.01 -0.09 0.00 -0.00 0.15 0.75 114.38 116.67 2aqe h ARG 64 Ca 0.10 -0.06 0.00 0.00 -0.50 0.00 0.00 59.98 59.52 2aqe h ARG 64 Cb 0.49 -0.23 0.00 0.00 0.00 0.00 0.00 29.97 30.23 2aqe h ARG 64 CO 0.02 0.67 0.00 0.00 0.00 0.00 0.00 179.97 180.66 2aqe n ALA 65 N -2.36 2.55 -0.78 0.04 0.00 -1.07 -4.53 120.51 114.36 2aqe n ALA 65 Ca 0.17 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2aqe n ALA 65 Cb 0.29 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2aqe n ALA 65 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2aqe n LEU 66 N 0.29 1.17 0.00 0.00 4.77 0.25 -5.03 117.00 118.44 2aqe n LEU 66 Ca 0.18 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2aqe n LEU 66 Cb 0.35 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2aqe n LEU 66 CO 0.15 -0.11 0.00 2.30 -1.33 0.00 0.00 177.39 178.40 2aqe n ILE 67 N -1.28 0.00 -2.51 -0.08 -5.35 -1.17 -4.97 119.36 104.01 2aqe n ILE 67 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2aqe n ILE 67 Cb 0.00 -1.44 0.00 0.00 -1.74 0.00 0.00 39.64 36.46 2aqe n ILE 67 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2aqe n LYS 68 N -0.75 0.00 0.00 6.28 4.76 -1.26 -4.64 118.16 122.55 2aqe n LYS 68 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2aqe n LYS 68 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2aqe n LYS 68 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 2aqe n ILE 69 N -0.06 0.00 0.00 -0.18 -6.64 -1.26 -5.05 119.36 106.18 2aqe n ILE 69 Ca 0.00 -0.16 0.00 0.00 -1.77 0.00 0.00 62.75 60.82 2aqe n ILE 69 Cb 0.00 1.24 0.00 0.00 -1.44 0.00 0.00 39.64 39.44 2aqe n ILE 69 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 2aqe n ASP 70 N -0.21 0.00 0.00 7.28 8.00 -1.26 -5.11 116.55 125.25 2aqe n ASP 70 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2aqe n ASP 70 Cb 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 2aqe n ASP 70 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 2aqe n VAL 71 N 0.00 0.00 0.17 2.53 3.14 -1.26 -4.66 118.33 118.25 2aqe n VAL 71 Ca 0.00 0.00 0.07 0.00 -2.96 0.00 0.00 64.34 61.45 2aqe n VAL 71 Cb 0.00 0.00 0.57 0.00 -1.06 0.00 0.00 33.84 33.35 2aqe n VAL 71 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 2aqe h ASN 72 N 0.00 0.15 0.08 6.55 2.35 -1.97 1.34 115.58 124.07 2aqe h ASN 72 Ca 0.00 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2aqe h ASN 72 Cb 0.00 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.33 2aqe h ASN 72 CO 0.00 0.11 -0.04 0.11 -1.65 0.00 0.00 177.43 175.96 2aqe h LYS 73 N 0.18 -0.10 -0.25 0.81 6.56 -1.98 -2.52 116.57 119.26 2aqe h LYS 73 Ca 0.05 0.01 -0.06 0.00 -1.06 0.00 0.00 60.65 59.58 2aqe h LYS 73 Cb -0.01 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.66 2aqe h LYS 73 CO -0.01 0.21 -0.09 1.15 -2.06 0.00 0.00 179.45 178.65 2aqe h THR 74 N -0.42 1.29 -1.05 -0.16 2.02 -1.66 -2.82 112.91 110.12 2aqe h THR 74 Ca -0.01 -1.14 0.27 0.00 0.77 0.00 0.00 66.41 66.31 2aqe h THR 74 Cb 0.36 1.50 -0.10 0.00 -1.74 0.00 0.00 68.15 68.17 2aqe h THR 74 CO 0.02 0.35 0.66 -0.09 0.37 0.00 0.00 175.52 176.84 2aqe h ARG 75 N 0.25 0.40 0.10 6.66 2.43 0.18 0.33 114.38 124.72 2aqe h ARG 75 Ca 0.06 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2aqe h ARG 75 Cb 0.58 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2aqe h ARG 75 CO 0.03 0.26 -0.05 0.87 -1.51 0.00 0.00 179.97 179.57 2aqe h LYS 76 N 0.41 -0.13 0.84 0.20 1.57 -1.29 -2.40 116.57 115.76 2aqe h LYS 76 Ca 0.62 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.37 2aqe h LYS 76 Cb 1.53 0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.87 2aqe h LYS 76 CO -0.34 0.33 -0.40 0.82 -0.57 0.00 0.00 179.45 179.29 2aqe h ILE 77 N -0.92 0.00 -0.44 1.86 2.04 -1.12 -2.69 117.51 116.22 2aqe h ILE 77 Ca -0.01 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 65.77 2aqe h ILE 77 Cb 0.52 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.54 2aqe h ILE 77 CO 0.02 0.00 0.09 1.88 0.00 0.00 0.00 178.15 180.14 2aqe h TYR 78 N -1.27 0.14 -0.95 1.37 0.05 -0.54 -0.39 116.97 115.39 2aqe h TYR 78 Ca -0.11 0.03 0.20 0.00 0.05 0.00 0.00 58.73 58.89 2aqe h TYR 78 Cb 0.86 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.53 2aqe h TYR 78 CO 0.01 0.01 0.61 0.22 -1.05 0.00 0.00 178.16 177.95 2aqe h ASP 79 N 0.22 0.53 0.41 3.88 3.58 -1.42 0.33 116.42 123.95 2aqe h ASP 79 Ca 0.22 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.71 2aqe h ASP 79 Cb 0.27 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2aqe h ASP 79 CO -0.28 0.20 -0.20 0.15 -2.88 0.00 0.00 179.24 176.23 2aqe h PHE 80 N 0.53 -0.51 -0.63 0.28 3.57 -0.72 0.82 116.94 120.28 2aqe h PHE 80 Ca 0.51 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.90 2aqe h PHE 80 Cb 1.10 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 2aqe h PHE 80 CO -0.00 -0.27 0.03 -0.07 -2.23 0.00 0.00 178.31 175.76 2aqe h LEU 81 N -0.63 1.06 0.70 0.59 3.38 -0.96 -0.82 115.31 118.64 2aqe h LEU 81 Ca -0.06 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 2aqe h LEU 81 Cb 0.46 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 40.94 2aqe h LEU 81 CO 0.09 1.10 -0.34 0.40 0.09 0.00 0.00 178.44 179.78 2aqe h ILE 82 N 1.00 0.29 0.00 1.22 1.08 -0.28 -2.67 117.51 118.15 2aqe h ILE 82 Ca 0.18 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.59 2aqe h ILE 82 Cb 0.54 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 34.60 2aqe h ILE 82 CO 0.03 0.01 0.00 0.03 -0.69 0.00 0.00 178.15 177.52 2aqe h ARG 83 N -0.99 0.00 0.00 2.37 -0.00 -0.83 -3.43 114.38 111.50 2aqe h ARG 83 Ca -0.10 0.00 -0.31 0.00 -0.50 0.00 0.00 59.98 59.07 2aqe h ARG 83 Cb 0.73 0.00 0.05 0.00 0.00 0.00 0.00 29.97 30.76 2aqe h ARG 83 CO 0.16 0.00 0.07 0.39 0.00 0.00 0.00 179.97 180.59 2aqe n GLU 84 N -2.96 0.16 -1.11 0.04 -0.58 -0.32 -4.97 120.64 110.89 2aqe n GLU 84 Ca 0.00 -1.85 -0.22 0.00 -0.42 0.00 0.00 57.16 54.67 2aqe n GLU 84 Cb 0.24 -0.43 0.03 0.00 -0.57 0.00 0.00 31.44 30.71 2aqe n GLU 84 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2aqe n GLY 85 N -0.15 4.50 0.16 0.62 0.00 -1.26 -4.34 105.19 104.72 2aqe n GLY 85 Ca 0.11 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 2aqe n GLY 85 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2aqe n TYR 86 N 0.20 0.00 -2.70 1.61 4.01 -1.16 -5.07 117.16 114.04 2aqe n TYR 86 Ca 0.40 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.14 2aqe n TYR 86 Cb 0.58 -0.98 0.00 0.00 -0.31 0.00 0.00 39.34 38.63 2aqe n TYR 86 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 2aqe n ILE 87 N -4.23 0.00 -4.00 -0.72 -5.35 -1.04 -4.90 119.36 99.13 2aqe n ILE 87 Ca -0.54 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 61.83 2aqe n ILE 87 Cb 0.88 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.75 2aqe n ILE 87 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2aqe s THR 88 N 0.07 0.00 -0.21 7.28 -4.23 -1.26 -4.68 115.64 112.61 2aqe s THR 88 Ca 0.00 -1.41 -0.04 0.00 -1.18 0.00 0.00 61.69 59.06 2aqe s THR 88 Cb 0.00 -2.59 0.10 0.00 1.34 0.00 0.00 72.50 71.35 2aqe s THR 88 CO 0.00 0.00 0.29 -1.59 -0.54 0.00 0.00 174.62 172.78 2aqe s LYS 89 N -3.10 0.25 0.00 3.99 0.00 -1.23 -0.87 119.74 118.77 2aqe s LYS 89 Ca 0.25 0.41 0.16 0.00 0.00 0.00 0.00 55.97 56.79 2aqe s LYS 89 Cb -0.02 -0.77 0.97 0.00 0.00 0.00 0.00 37.83 38.01 2aqe s LYS 89 CO 0.16 -0.60 1.37 0.00 0.00 0.00 0.00 175.35 176.28