#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqe n SER 2 N 0.00 -7.63 -3.60 1.61 7.64 -1.26 -4.73 113.62 105.65 2aqe n SER 2 Ca 0.00 1.50 -0.27 0.00 1.01 0.00 0.00 58.87 61.11 2aqe n SER 2 Cb 0.00 -4.90 0.01 0.00 -1.01 0.00 0.00 64.21 58.31 2aqe n SER 2 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2aqe n ASN 3 N -3.94 -4.45 -0.02 6.43 5.03 -1.26 -4.85 115.26 112.20 2aqe n ASN 3 Ca -0.07 -0.58 -0.04 0.00 0.87 0.00 0.00 54.58 54.76 2aqe n ASN 3 Cb 0.62 -3.61 -0.01 0.00 -1.02 0.00 0.00 39.78 35.76 2aqe n ASN 3 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2aqe n SER 4 N -2.56 1.48 0.00 6.41 2.88 -1.26 -5.13 113.62 115.44 2aqe n SER 4 Ca 0.00 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 2aqe n SER 4 Cb 0.54 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 2aqe n SER 4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2aqe n GLY 5 N 2.45 -0.77 4.03 0.46 0.00 -1.26 -4.84 105.19 105.26 2aqe n GLY 5 Ca -0.07 -1.63 -0.20 0.00 0.00 0.00 0.00 46.02 44.12 2aqe n GLY 5 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2aqe s ARG 6 N -1.59 2.26 -0.07 1.61 6.06 -1.26 -5.10 118.95 120.86 2aqe s ARG 6 Ca 0.00 -1.68 -0.06 0.00 -2.50 0.00 0.00 55.73 51.48 2aqe s ARG 6 Cb 0.00 -2.63 0.02 0.00 0.06 0.00 0.00 34.95 32.40 2aqe s ARG 6 CO 0.00 -0.90 0.19 1.03 -2.50 0.00 0.00 175.30 173.12 2aqe s ARG 7 N -4.68 0.22 0.00 5.12 0.52 -1.26 -5.00 118.95 113.87 2aqe s ARG 7 Ca 0.62 0.27 0.00 0.00 -0.52 0.00 0.00 55.73 56.09 2aqe s ARG 7 Cb -0.05 0.10 0.00 0.00 0.52 0.00 0.00 34.95 35.52 2aqe s ARG 7 CO 0.39 -0.03 0.00 0.43 0.02 0.00 0.00 175.30 176.11 2aqe n SER 8 N 3.01 0.00 -3.61 0.23 7.64 -1.26 -5.15 113.62 114.47 2aqe n SER 8 Ca -0.13 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.60 2aqe n SER 8 Cb 0.59 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.72 2aqe n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2aqe s ALA 9 N -0.97 -1.34 -0.34 -0.43 0.00 -1.26 -5.10 121.76 112.33 2aqe s ALA 9 Ca 0.00 0.82 -0.31 0.00 0.00 0.00 0.00 51.96 52.47 2aqe s ALA 9 Cb 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 23.12 23.14 2aqe s ALA 9 CO 0.00 -0.36 2.25 -2.30 0.00 0.00 0.00 175.76 175.35 2aqe n PRO 10 N 0.93 1.40 0.00 0.00 -0.02 -1.26 -4.94 135.00 131.10 2aqe n PRO 10 Ca -0.20 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2aqe n PRO 10 Cb 0.57 -2.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 2aqe n PRO 10 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2aqe n PRO 11 N 8.55 1.76 0.00 0.52 -0.02 -1.26 -5.06 135.00 139.49 2aqe n PRO 11 Ca 0.37 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2aqe n PRO 11 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.83 2aqe n PRO 11 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2aqe n LEU 12 N 0.00 0.00 -0.00 2.45 4.32 -1.26 -4.98 117.00 117.53 2aqe n LEU 12 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 56.01 56.04 2aqe n LEU 12 Cb 0.00 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 41.72 2aqe n LEU 12 CO 0.00 0.00 -0.45 -3.20 -1.22 0.00 0.00 177.39 172.52 2aqe n ASN 13 N -0.86 1.92 -0.18 -1.43 5.15 -1.26 -4.57 115.26 114.03 2aqe n ASN 13 Ca 0.00 -0.22 -0.08 0.00 -0.60 0.00 0.00 54.58 53.68 2aqe n ASN 13 Cb 0.00 1.35 0.01 0.00 -0.53 0.00 0.00 39.78 40.61 2aqe n ASN 13 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2aqe h LEU 14 N 0.00 0.71 -8.49 1.20 4.07 -1.94 -3.41 115.31 107.46 2aqe h LEU 14 Ca 0.00 -0.17 -0.65 0.00 0.08 0.00 0.00 57.88 57.13 2aqe h LEU 14 Cb 0.42 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 2aqe h LEU 14 CO 0.00 0.69 1.45 1.07 -1.08 0.00 0.00 178.44 180.57 2aqe n THR 15 N -4.54 0.15 0.00 0.22 5.66 -1.26 -0.15 114.28 114.36 2aqe n THR 15 Ca 0.02 -0.27 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 2aqe n THR 15 Cb 0.16 -1.60 0.00 0.00 -1.55 0.00 0.00 70.33 67.34 2aqe n THR 15 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2aqe n GLY 16 N 6.56 1.94 3.90 1.09 0.00 -1.26 -5.02 105.19 112.39 2aqe n GLY 16 Ca 0.43 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 2aqe n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqe s LEU 17 N 0.00 4.00 -0.03 0.99 1.43 0.79 -5.03 118.68 120.84 2aqe s LEU 17 Ca 0.00 0.83 -0.21 0.00 -1.03 0.00 0.00 54.13 53.72 2aqe s LEU 17 Cb 0.00 -3.67 -0.14 0.00 0.03 0.00 0.00 46.19 42.41 2aqe s LEU 17 CO 0.00 -0.25 0.93 1.55 0.23 0.00 0.00 176.35 178.81 2aqe h PRO 18 N 1.59 -0.36 0.00 1.29 0.13 -1.99 -3.13 132.00 129.53 2aqe h PRO 18 Ca -0.47 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2aqe h PRO 18 Cb 1.19 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2aqe h PRO 18 CO 0.66 -0.03 0.13 0.78 -0.23 0.00 0.00 178.00 179.31 2aqe h GLY 19 N -0.91 0.00 -0.40 1.56 0.00 -1.95 -2.78 103.07 98.59 2aqe h GLY 19 Ca -0.04 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.53 2aqe h GLY 19 CO 0.06 0.00 0.30 -0.84 0.00 0.00 0.00 176.54 176.06 2aqe h THR 20 N 0.00 0.35 0.00 4.70 2.02 -1.82 0.43 112.91 118.58 2aqe h THR 20 Ca 0.00 -0.09 -0.17 0.00 0.77 0.00 0.00 66.41 66.92 2aqe h THR 20 Cb 0.27 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 2aqe h THR 20 CO 0.00 0.05 -0.80 -0.08 0.37 0.00 0.00 175.52 175.05 2aqe h GLU 21 N 0.26 0.00 0.00 6.66 4.81 -1.71 -3.14 114.58 121.46 2aqe h GLU 21 Ca 0.57 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.79 2aqe h GLU 21 Cb 1.16 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 2aqe h GLU 21 CO -0.62 0.80 -0.03 0.87 -0.73 0.00 0.00 179.01 179.30 2aqe h LYS 22 N 0.00 0.00 -6.16 1.92 1.79 -0.31 -3.40 116.57 110.41 2aqe h LYS 22 Ca -0.01 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.90 2aqe h LYS 22 Cb 1.61 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 32.22 2aqe h LYS 22 CO 0.10 0.03 0.38 -0.51 -1.08 0.00 0.00 179.45 178.38 2aqe s LEU 23 N -7.07 4.27 1.11 2.94 1.43 -0.74 -5.03 118.68 115.59 2aqe s LEU 23 Ca -0.04 1.39 -0.13 0.00 -1.03 0.00 0.00 54.13 54.33 2aqe s LEU 23 Cb 0.14 -3.38 0.23 0.00 0.03 0.00 0.00 46.19 43.21 2aqe s LEU 23 CO 0.52 -0.33 0.90 0.59 0.23 0.00 0.00 176.35 178.26 2aqe n ASN 24 N 4.59 -1.38 -0.05 2.29 4.13 -1.26 -4.30 115.26 119.28 2aqe n ASN 24 Ca 0.05 -0.01 0.23 0.00 1.68 0.00 0.00 54.58 56.54 2aqe n ASN 24 Cb 0.50 -1.27 0.71 0.00 -1.54 0.00 0.00 39.78 38.18 2aqe n ASN 24 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 2aqe h GLU 25 N -2.40 0.00 0.09 3.52 4.81 -1.95 0.44 114.58 119.08 2aqe h GLU 25 Ca -0.56 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.50 2aqe h GLU 25 Cb 1.32 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.72 2aqe h GLU 25 CO 0.45 0.00 -0.74 0.87 -0.73 0.00 0.00 179.01 178.86 2aqe h LYS 26 N 0.00 0.35 -0.32 1.92 1.57 -2.01 -3.20 116.57 114.88 2aqe h LYS 26 Ca 0.31 -0.49 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 2aqe h LYS 26 Cb 1.28 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.75 2aqe h LYS 26 CO -0.00 1.19 -0.02 0.93 -0.57 0.00 0.00 179.45 180.98 2aqe h GLU 27 N -0.26 0.58 -0.86 3.15 5.08 -1.51 -2.39 114.58 118.37 2aqe h GLU 27 Ca -0.12 -0.20 0.16 0.00 -1.00 0.00 0.00 59.36 58.21 2aqe h GLU 27 Cb 1.52 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 30.62 2aqe h GLU 27 CO 0.14 0.73 0.43 0.87 -1.00 0.00 0.00 179.01 180.18 2aqe h LYS 28 N 0.37 0.56 -0.33 2.33 1.57 -1.09 0.45 116.57 120.43 2aqe h LYS 28 Ca 0.09 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 2aqe h LYS 28 Cb 0.48 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 2aqe h LYS 28 CO 0.02 0.37 -0.12 1.49 -0.57 0.00 0.00 179.45 180.64 2aqe h GLU 29 N 0.58 0.56 -0.38 3.15 4.81 -1.50 -0.09 114.58 121.71 2aqe h GLU 29 Ca 0.49 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.56 2aqe h GLU 29 Cb 0.75 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 2aqe h GLU 29 CO -0.40 0.68 0.24 1.25 -0.73 0.00 0.00 179.01 180.05 2aqe h LEU 30 N 0.52 0.40 -0.15 1.64 6.46 0.35 -1.58 115.31 122.96 2aqe h LEU 30 Ca 0.09 -0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.74 2aqe h LEU 30 Cb 0.52 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.36 2aqe h LEU 30 CO 0.03 0.29 -0.34 0.00 -0.62 0.00 0.00 178.44 177.80 2aqe h GLN 32 N 0.11 0.33 0.50 0.00 4.20 -0.86 -0.75 115.11 118.64 2aqe h GLN 32 Ca -0.00 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 2aqe h GLN 32 Cb 0.95 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.66 2aqe h GLN 32 CO 0.08 0.22 -0.29 0.28 -0.67 0.00 0.00 178.83 178.45 2aqe h VAL 33 N 0.34 0.00 -2.25 -0.54 2.07 -1.31 -3.18 116.25 111.38 2aqe h VAL 33 Ca 0.26 0.00 -0.74 0.00 0.82 0.00 0.00 66.70 67.04 2aqe h VAL 33 Cb 0.30 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.89 2aqe h VAL 33 CO -0.28 0.00 1.28 0.68 0.02 0.00 0.00 177.57 179.27 2aqe s VAL 34 N -4.70 5.05 -0.43 2.57 -7.23 -1.02 -4.93 120.40 109.71 2aqe s VAL 34 Ca -0.11 -2.59 -0.09 0.00 -1.81 0.00 0.00 61.98 57.38 2aqe s VAL 34 Cb 0.02 -4.89 -0.12 0.00 0.56 0.00 0.00 36.38 31.95 2aqe s VAL 34 CO 0.35 -1.59 1.03 0.54 -0.31 0.00 0.00 175.10 175.12 2aqe n ARG 35 N 5.59 0.00 -3.68 4.82 1.74 -0.33 -4.60 116.66 120.20 2aqe n ARG 35 Ca 0.35 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 57.21 2aqe n ARG 35 Cb 0.43 -0.53 -0.18 0.00 -1.02 0.00 0.00 32.46 31.16 2aqe n ARG 35 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2aqe s LEU 36 N 1.91 0.32 0.93 0.55 1.02 -0.96 -5.02 118.68 117.44 2aqe s LEU 36 Ca 0.57 -0.14 -0.14 0.00 0.02 0.00 0.00 54.13 54.44 2aqe s LEU 36 Cb -0.45 -0.24 -0.01 0.00 0.02 0.00 0.00 46.19 45.51 2aqe s LEU 36 CO 0.23 -0.26 0.18 1.33 0.02 0.00 0.00 176.35 177.84 2aqe n VAL 37 N 5.25 0.20 0.19 -1.59 0.24 -1.26 -4.68 118.33 116.68 2aqe n VAL 37 Ca -0.05 -0.28 -0.07 0.00 -2.04 0.00 0.00 64.34 61.90 2aqe n VAL 37 Cb 0.50 -0.51 -0.04 0.00 -1.47 0.00 0.00 33.84 32.32 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 -1.30 -0.47 -1.13 7.34 0.11 -1.92 -2.59 132.00 132.04 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 1.29 0.11 -0.10 0.00 0.11 0.00 0.00 31.00 32.41 2aqe h PRO 38 CO 0.33 -0.31 0.73 0.78 -0.21 0.00 0.00 178.00 179.32 2aqe h GLY 39 N -0.56 1.16 0.00 -0.55 0.00 -1.91 0.68 103.07 101.90 2aqe h GLY 39 Ca -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2aqe h GLY 39 CO 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 176.54 176.42 2aqe n ALA 40 N -2.50 -0.19 -0.28 3.60 0.00 -1.17 -0.35 120.51 119.61 2aqe n ALA 40 Ca 0.29 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.83 2aqe n ALA 40 Cb 1.06 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.76 2aqe n ALA 40 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2aqe h TYR 41 N 0.00 0.31 -0.92 0.00 5.03 -1.02 1.28 116.97 121.65 2aqe h TYR 41 Ca 0.00 0.05 0.18 0.00 2.58 0.00 0.00 58.73 61.54 2aqe h TYR 41 Cb 0.00 -0.01 -0.08 0.00 1.55 0.00 0.00 36.73 38.20 2aqe h TYR 41 CO 0.09 -0.17 0.60 1.25 -1.32 0.00 0.00 178.16 178.61 2aqe h LEU 42 N 0.23 0.58 0.05 2.82 5.85 0.41 0.29 115.31 125.54 2aqe h LEU 42 Ca 0.50 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 59.27 2aqe h LEU 42 Cb 0.96 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.93 2aqe h LEU 42 CO -0.61 0.25 -0.02 -0.08 -0.34 0.00 0.00 178.44 177.63 2aqe h GLU 43 N 0.59 -0.07 -0.09 1.25 4.57 0.45 -2.52 114.58 118.76 2aqe h GLU 43 Ca 0.49 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.71 2aqe h GLU 43 Cb 0.96 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.50 2aqe h GLU 43 CO -0.23 0.18 -0.49 1.88 -1.18 0.00 0.00 179.01 179.17 2aqe h TYR 44 N -1.00 -1.43 -0.89 0.92 -1.99 -0.57 0.13 116.97 112.14 2aqe h TYR 44 Ca -0.01 0.05 0.22 0.00 2.00 0.00 0.00 58.73 60.99 2aqe h TYR 44 Cb 0.28 0.64 -0.12 0.00 2.00 0.00 0.00 36.73 39.52 2aqe h TYR 44 CO 0.06 -0.53 0.37 -0.22 -0.00 0.00 0.00 178.16 177.85 2aqe h LYS 45 N -0.57 0.38 0.00 4.88 3.11 -0.58 1.50 116.57 125.29 2aqe h LYS 45 Ca 0.05 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 2aqe h LYS 45 Cb 0.67 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.82 2aqe h LYS 45 CO -0.40 0.25 0.00 0.77 -2.81 0.00 0.00 179.45 177.26 2aqe h SER 46 N 0.39 0.00 0.57 4.20 0.02 -0.31 -0.93 113.55 117.49 2aqe h SER 46 Ca 0.55 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 61.23 2aqe h SER 46 Cb 1.04 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.53 2aqe h SER 46 CO -0.53 0.00 -1.60 0.00 -1.14 0.00 0.00 176.83 173.55 2aqe h ALA 47 N 2.05 0.72 -0.19 3.77 0.00 0.30 -2.71 119.26 123.20 2aqe h ALA 47 Ca 0.00 -1.36 -0.16 0.00 0.00 0.00 0.00 54.91 53.39 2aqe h ALA 47 Cb 0.09 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2aqe h ALA 47 CO 0.00 1.51 -0.54 -0.07 0.00 0.00 0.00 179.25 180.14 2aqe h LEU 48 N 0.00 0.61 -0.07 0.00 -0.00 -0.70 0.12 115.31 115.27 2aqe h LEU 48 Ca -0.25 -0.32 -0.16 0.00 -0.00 0.00 0.00 57.88 57.15 2aqe h LEU 48 Cb 1.96 -0.17 0.01 0.00 -0.00 0.00 0.00 40.66 42.45 2aqe h LEU 48 CO 0.08 1.03 -0.59 0.25 -0.00 0.00 0.00 178.44 179.22 2aqe h LEU 49 N 0.42 0.63 -0.19 1.67 5.85 -1.51 -2.36 115.31 119.83 2aqe h LEU 49 Ca 0.01 -0.69 -0.11 0.00 0.84 0.00 0.00 57.88 57.94 2aqe h LEU 49 Cb 1.08 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 2aqe h LEU 49 CO 0.10 1.22 -0.30 -1.13 -0.34 0.00 0.00 178.44 177.99 2aqe h ASN 50 N 0.09 0.59 -0.54 1.25 -1.24 -1.47 -2.12 115.58 112.13 2aqe h ASN 50 Ca -0.05 -0.53 -0.05 0.00 0.71 0.00 0.00 56.30 56.37 2aqe h ASN 50 Cb 1.25 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 40.11 2aqe h ASN 50 CO 0.12 1.01 0.16 -0.08 -1.29 0.00 0.00 177.43 177.34 2aqe h GLU 51 N 0.19 0.90 0.16 6.67 4.57 -0.85 -1.14 114.58 125.09 2aqe h GLU 51 Ca 0.01 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.00 2aqe h GLU 51 Cb 0.89 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 2aqe h GLU 51 CO 0.07 0.80 -0.08 0.00 -1.18 0.00 0.00 179.01 178.62 2aqe h HIS 53 N -0.62 0.02 0.63 0.00 -0.00 -1.29 1.02 115.15 114.91 2aqe h HIS 53 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.32 2aqe h HIS 53 Cb 0.46 -0.01 0.01 0.00 -0.00 0.00 0.00 27.41 27.87 2aqe h HIS 53 CO 0.05 0.01 -0.30 0.87 -0.00 0.00 0.00 177.93 178.56 2aqe h LYS 54 N 0.02 -0.81 -0.67 5.26 1.79 -0.95 -3.17 116.57 118.04 2aqe h LYS 54 Ca 0.21 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 2aqe h LYS 54 Cb 0.80 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 2aqe h LYS 54 CO -0.01 -0.54 0.00 1.04 -1.08 0.00 0.00 179.45 178.86 2aqe n GLN 55 N -5.09 2.69 0.00 3.15 1.13 -0.87 -4.96 117.38 113.44 2aqe n GLN 55 Ca -0.10 -1.56 0.00 0.00 -1.94 0.00 0.00 57.00 53.40 2aqe n GLN 55 Cb 0.33 -1.72 0.00 0.00 0.11 0.00 0.00 30.24 28.96 2aqe n GLN 55 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2aqe n GLY 56 N 0.55 2.31 3.76 1.08 0.00 0.35 -4.82 105.19 108.43 2aqe n GLY 56 Ca 0.14 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 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 2.55 -0.26 -0.02 0.00 -1.23 -3.95 107.32 104.41 2aqe s GLY 57 Ca 0.00 -1.49 -0.06 0.00 0.00 0.00 0.00 44.72 43.17 2aqe s GLY 57 CO 0.00 -2.02 0.53 -2.27 0.00 0.00 0.00 173.10 169.34 2aqe s LEU 58 N -3.95 -0.98 1.01 0.66 2.96 0.24 -4.82 118.68 113.80 2aqe s LEU 58 Ca 0.29 1.05 -0.15 0.00 -0.22 0.00 0.00 54.13 55.11 2aqe s LEU 58 Cb 0.03 1.83 0.07 0.00 0.50 0.00 0.00 46.19 48.62 2aqe s LEU 58 CO 0.16 -0.24 0.33 0.54 -1.32 0.00 0.00 176.35 175.82 2aqe n ARG 59 N 5.42 -0.81 0.03 1.98 1.74 0.23 -3.60 116.66 121.65 2aqe n ARG 59 Ca -0.07 -0.20 -0.19 0.00 -0.77 0.00 0.00 57.85 56.61 2aqe n ARG 59 Cb 0.50 -1.84 -0.12 0.00 -1.02 0.00 0.00 32.46 29.97 2aqe n ARG 59 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2aqe h LEU 60 N -1.79 0.57 -0.07 0.55 5.85 -1.88 -3.02 115.31 115.53 2aqe h LEU 60 Ca -0.47 -0.83 0.00 0.00 0.84 0.00 0.00 57.88 57.42 2aqe h LEU 60 Cb 1.31 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 2aqe h LEU 60 CO 0.36 1.34 0.05 0.00 -0.34 0.00 0.00 178.44 179.85 2aqe h ALA 61 N 0.24 0.09 -0.59 1.25 0.00 -1.97 -1.04 119.26 117.24 2aqe h ALA 61 Ca -0.11 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 54.96 2aqe h ALA 61 Cb 1.52 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 2aqe h ALA 61 CO 0.15 -0.42 0.43 1.96 0.00 0.00 0.00 179.25 181.37 2aqe h GLN 62 N 0.09 0.00 -0.28 0.00 1.08 -1.93 0.00 115.11 114.07 2aqe h GLN 62 Ca 0.03 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.18 2aqe h GLN 62 Cb -0.01 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 2aqe h GLN 62 CO -0.01 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.88 2aqe h ALA 63 N 1.70 0.37 -0.88 3.87 0.00 -1.06 -1.34 119.26 121.92 2aqe h ALA 63 Ca 0.28 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.06 2aqe h ALA 63 Cb 1.13 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 2aqe h ALA 63 CO -0.00 0.11 0.57 0.00 0.00 0.00 0.00 179.25 179.92 2aqe h ARG 64 N 0.27 0.84 -0.00 0.00 -0.00 -0.68 0.25 114.38 115.06 2aqe h ARG 64 Ca 0.08 -0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.51 2aqe h ARG 64 Cb 0.42 -0.19 0.00 0.00 0.00 0.00 0.00 29.97 30.20 2aqe h ARG 64 CO 0.01 0.56 -0.07 0.00 0.00 0.00 0.00 179.97 180.47 2aqe n ALA 65 N -2.41 2.62 -0.73 0.04 0.00 -1.05 -4.41 120.51 114.58 2aqe n ALA 65 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2aqe n ALA 65 Cb 0.31 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.36 2aqe n ALA 65 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2aqe n LEU 66 N -1.24 1.01 0.00 0.00 0.00 0.84 -5.03 117.00 112.57 2aqe n LEU 66 Ca 0.12 0.06 0.00 0.00 0.00 0.00 0.00 56.01 56.19 2aqe n LEU 66 Cb 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 43.42 43.56 2aqe n LEU 66 CO 0.25 -0.14 0.00 2.30 0.00 0.00 0.00 177.39 179.80 2aqe n ILE 67 N -1.37 0.00 -3.39 1.96 -5.35 -1.02 -4.98 119.36 105.21 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 -1.45 0.00 0.00 -1.74 0.00 0.00 39.64 36.45 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 -0.55 0.00 0.00 6.28 4.76 -1.26 -4.67 118.16 122.72 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 -0.48 0.00 0.00 -0.18 -6.64 -1.26 -5.04 119.36 105.75 2aqe n ILE 69 Ca 0.00 -0.15 0.00 0.00 -1.77 0.00 0.00 62.75 60.83 2aqe n ILE 69 Cb 0.00 1.36 0.00 0.00 -1.44 0.00 0.00 39.64 39.56 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 -0.14 0.00 0.05 7.28 8.00 -1.26 -5.11 116.55 125.36 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 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 2aqe n ASP 70 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2aqe n VAL 71 N 0.00 0.00 0.28 2.53 0.24 -1.26 -4.70 118.33 115.42 2aqe n VAL 71 Ca 0.00 0.00 0.14 0.00 -2.04 0.00 0.00 64.34 62.44 2aqe n VAL 71 Cb 0.00 0.00 0.82 0.00 -1.47 0.00 0.00 33.84 33.19 2aqe n VAL 71 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 2aqe h ASN 72 N 0.00 0.00 0.62 -1.34 -0.73 -1.97 0.38 115.58 112.55 2aqe h ASN 72 Ca 0.00 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.14 2aqe h ASN 72 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.60 2aqe h ASN 72 CO 0.00 0.06 -0.30 0.11 -0.37 0.00 0.00 177.43 176.93 2aqe h LYS 73 N 0.00 -0.80 -0.05 6.67 6.56 -1.98 -2.16 116.57 124.81 2aqe h LYS 73 Ca -0.00 0.05 -0.06 0.00 -1.06 0.00 0.00 60.65 59.58 2aqe h LYS 73 Cb 0.16 0.18 -0.01 0.00 -0.57 0.00 0.00 32.23 32.00 2aqe h LYS 73 CO 0.01 -0.48 -0.27 1.15 -2.06 0.00 0.00 179.45 177.80 2aqe h THR 74 N -1.09 1.21 -0.70 -0.16 2.02 -1.83 -2.14 112.91 110.22 2aqe h THR 74 Ca -0.08 -1.01 0.14 0.00 0.77 0.00 0.00 66.41 66.22 2aqe h THR 74 Cb 0.68 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 68.53 2aqe h THR 74 CO 0.14 0.30 0.47 -0.09 0.37 0.00 0.00 175.52 176.71 2aqe h ARG 75 N 0.08 0.38 0.00 6.66 2.43 -0.00 0.38 114.38 124.30 2aqe h ARG 75 Ca 0.01 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 2aqe h ARG 75 Cb 0.52 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2aqe h ARG 75 CO 0.04 0.25 -0.36 0.87 -1.51 0.00 0.00 179.97 179.26 2aqe h LYS 76 N 0.39 0.00 0.70 0.20 1.57 -0.73 -2.38 116.57 116.32 2aqe h LYS 76 Ca 0.34 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.09 2aqe h LYS 76 Cb 0.79 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 2aqe h LYS 76 CO -0.10 0.64 -0.39 0.82 -0.57 0.00 0.00 179.45 179.85 2aqe h ILE 77 N -1.00 0.20 -0.53 1.86 2.04 -1.31 -2.46 117.51 116.31 2aqe h ILE 77 Ca -0.08 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.84 2aqe h ILE 77 Cb 0.78 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 2aqe h ILE 77 CO -0.05 0.00 0.24 0.22 0.00 0.00 0.00 178.15 178.56 2aqe h TYR 78 N -1.02 0.44 -0.97 1.37 3.20 -0.44 -0.33 116.97 119.22 2aqe h TYR 78 Ca -0.09 0.02 0.23 0.00 3.14 0.00 0.00 58.73 62.03 2aqe h TYR 78 Cb 0.81 -0.12 -0.08 0.00 1.54 0.00 0.00 36.73 38.88 2aqe h TYR 78 CO -0.07 0.19 0.64 0.22 -1.64 0.00 0.00 178.16 177.50 2aqe h ASP 79 N 0.47 0.43 -0.19 -2.11 1.82 -1.25 0.43 116.42 116.02 2aqe h ASP 79 Ca 0.24 0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.93 2aqe h ASP 79 Cb 0.19 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.18 2aqe h ASP 79 CO -0.19 0.14 0.07 0.15 -1.61 0.00 0.00 179.24 177.79 2aqe h PHE 80 N 0.41 0.29 -0.42 0.28 3.57 -0.58 -0.01 116.94 120.47 2aqe h PHE 80 Ca 0.53 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.90 2aqe h PHE 80 Cb 1.32 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 2aqe h PHE 80 CO -0.00 0.36 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.22 2aqe h LEU 81 N 0.14 0.85 0.01 0.59 3.38 -0.39 -2.20 115.31 117.69 2aqe h LEU 81 Ca 0.06 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 2aqe h LEU 81 Cb 0.20 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2aqe h LEU 81 CO -0.00 1.04 -0.00 0.40 0.09 0.00 0.00 178.44 179.96 2aqe h ILE 82 N 0.66 0.00 -1.14 1.22 1.08 -0.16 -2.76 117.51 116.41 2aqe h ILE 82 Ca 0.10 -0.00 0.32 0.00 -0.39 0.00 0.00 64.86 64.89 2aqe h ILE 82 Cb 0.69 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.37 2aqe h ILE 82 CO 0.05 0.00 0.79 0.03 -0.69 0.00 0.00 178.15 178.33 2aqe h ARG 83 N -0.01 0.12 0.00 2.37 -0.00 -1.11 -3.41 114.38 112.34 2aqe h ARG 83 Ca -0.00 -0.01 -0.40 0.00 -0.50 0.00 0.00 59.98 59.07 2aqe h ARG 83 Cb 0.01 -0.03 0.09 0.00 0.00 0.00 0.00 29.97 30.04 2aqe h ARG 83 CO 0.00 0.08 0.14 0.39 0.00 0.00 0.00 179.97 180.58 2aqe n GLU 84 N -4.33 -0.20 -1.72 0.04 1.02 -0.83 -4.97 120.64 109.65 2aqe n GLU 84 Ca 0.26 -2.28 -0.33 0.00 -0.02 0.00 0.00 57.16 54.80 2aqe n GLU 84 Cb 1.14 -0.68 -0.03 0.00 -0.02 0.00 0.00 31.44 31.85 2aqe n GLU 84 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2aqe n GLY 85 N -1.83 4.74 0.38 0.62 0.00 -1.26 -4.54 105.19 103.30 2aqe n GLY 85 Ca 0.14 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 1.22 0.00 -4.55 1.61 4.01 -1.05 -5.08 117.16 113.31 2aqe n TYR 86 Ca 0.55 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 58.02 2aqe n TYR 86 Cb 0.42 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.34 2aqe n TYR 86 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 2aqe s ILE 87 N -0.93 2.15 0.16 -0.72 -4.36 -1.13 -4.98 121.20 111.39 2aqe s ILE 87 Ca 0.00 -2.08 0.09 0.00 -0.26 0.00 0.00 60.65 58.40 2aqe s ILE 87 Cb 0.00 -2.83 -0.04 0.00 1.25 0.00 0.00 42.46 40.84 2aqe s ILE 87 CO 0.00 -0.10 -0.13 0.42 0.24 0.00 0.00 174.94 175.37 2aqe s THR 88 N -2.65 3.04 -0.10 8.37 -4.23 -1.26 -4.26 115.64 114.55 2aqe s THR 88 Ca 0.34 -1.61 -0.01 0.00 -1.18 0.00 0.00 61.69 59.23 2aqe s THR 88 Cb 0.06 -2.46 -0.00 0.00 1.34 0.00 0.00 72.50 71.43 2aqe s THR 88 CO 0.18 -0.03 -0.01 0.11 -0.54 0.00 0.00 174.62 174.32 2aqe h LYS 89 N 3.23 0.00 0.00 3.99 1.57 -1.90 0.68 116.57 124.14 2aqe h LYS 89 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2aqe h LYS 89 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2aqe h LYS 89 CO 0.51 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.39