#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 1.39 -4.99 1.61 2.88 -1.26 -5.05 113.62 108.20 2aqe n SER 2 Ca 0.00 0.06 -0.19 0.00 -1.33 0.00 0.00 58.87 57.41 2aqe n SER 2 Cb 0.00 -0.20 -0.00 0.00 -0.75 0.00 0.00 64.21 63.25 2aqe n SER 2 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2aqe s ASN 3 N -5.44 5.99 -0.25 -3.46 2.47 -1.26 -5.09 114.94 107.91 2aqe s ASN 3 Ca -0.11 -0.15 -0.08 0.00 0.42 0.00 0.00 52.86 52.94 2aqe s ASN 3 Cb 0.04 -1.28 -0.03 0.00 -1.45 0.00 0.00 41.25 38.52 2aqe s ASN 3 CO 0.15 -0.42 0.09 -0.94 -3.72 0.00 0.00 177.10 172.27 2aqe s SER 4 N -4.16 5.34 0.00 -4.21 1.04 -1.26 -4.48 113.70 105.97 2aqe s SER 4 Ca 0.44 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.73 2aqe s SER 4 Cb -0.10 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 64.06 2aqe s SER 4 CO 0.31 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 175.12 2aqe n GLY 5 N 4.84 1.00 3.08 7.32 0.00 -1.26 -5.06 105.19 115.11 2aqe n GLY 5 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 2.65 0.02 1.61 3.52 -1.26 -4.87 118.95 120.62 2aqe s ARG 6 Ca 0.00 -0.70 0.01 0.00 -0.13 0.00 0.00 55.73 54.91 2aqe s ARG 6 Cb 0.00 -2.29 -0.02 0.00 -1.56 0.00 0.00 34.95 31.08 2aqe s ARG 6 CO 0.00 -0.17 -0.05 0.50 -0.81 0.00 0.00 175.30 174.78 2aqe s ARG 7 N 1.25 0.37 -0.18 5.12 3.52 -1.26 -4.96 118.95 122.80 2aqe s ARG 7 Ca 0.02 -0.59 -0.07 0.00 -0.13 0.00 0.00 55.73 54.96 2aqe s ARG 7 Cb -0.14 -0.07 -0.04 0.00 -1.56 0.00 0.00 34.95 33.14 2aqe s ARG 7 CO -0.09 -0.00 0.06 -1.54 -0.81 0.00 0.00 175.30 172.92 2aqe s SER 8 N -1.30 5.63 0.06 -2.12 1.04 -1.26 -5.06 113.70 110.69 2aqe s SER 8 Ca -0.11 0.09 -0.26 0.00 0.48 0.00 0.00 55.95 56.14 2aqe s SER 8 Cb -0.09 -1.96 0.09 0.00 0.10 0.00 0.00 66.02 64.17 2aqe s SER 8 CO -0.00 0.18 1.19 0.00 0.98 0.00 0.00 173.24 175.59 2aqe s ALA 9 N 0.32 -2.10 -0.24 5.32 0.00 -1.26 -5.07 121.76 118.74 2aqe s ALA 9 Ca 0.03 0.03 -0.29 0.00 0.00 0.00 0.00 51.96 51.73 2aqe s ALA 9 Cb -0.12 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.72 2aqe s ALA 9 CO 0.00 -1.10 1.63 -1.25 0.00 0.00 0.00 175.76 175.04 2aqe s PRO 10 N -2.21 3.73 -0.18 0.00 0.04 -1.26 -4.91 135.00 130.20 2aqe s PRO 10 Ca 0.23 1.61 -0.32 0.00 0.04 0.00 0.00 61.00 62.56 2aqe s PRO 10 Cb -0.00 -4.06 -0.09 0.00 0.04 0.00 0.00 34.50 30.39 2aqe s PRO 10 CO 0.01 -1.38 2.07 -2.30 0.04 0.00 0.00 177.00 175.44 2aqe n PRO 11 N 7.78 1.89 0.00 0.56 -0.02 -1.26 -4.80 135.00 139.15 2aqe n PRO 11 Ca 0.19 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 2aqe n PRO 11 Cb 0.45 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 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 9.00 0.00 0.00 2.45 4.77 -1.26 -5.05 117.00 126.91 2aqe n LEU 12 Ca 0.29 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 2aqe n LEU 12 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2aqe n LEU 12 CO 0.72 -0.33 0.00 0.59 -1.33 0.00 0.00 177.39 177.03 2aqe n ASN 13 N -2.00 0.00 -2.76 -1.43 3.02 -1.26 -4.90 115.26 105.92 2aqe n ASN 13 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.30 2aqe n ASN 13 Cb 0.00 0.03 -0.08 0.00 -0.61 0.00 0.00 39.78 39.11 2aqe n ASN 13 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2aqe n LEU 14 N -1.72 6.72 -3.48 3.41 7.94 -1.24 -4.61 117.00 124.02 2aqe n LEU 14 Ca 0.00 -3.63 -0.28 0.00 -1.11 0.00 0.00 56.01 51.00 2aqe n LEU 14 Cb 0.00 -1.40 -0.11 0.00 0.53 0.00 0.00 43.42 42.44 2aqe n LEU 14 CO 0.00 1.69 -0.29 0.42 -1.11 0.00 0.00 177.39 178.11 2aqe s THR 15 N 1.88 0.61 0.00 1.96 -4.23 -1.26 -4.78 115.64 109.81 2aqe s THR 15 Ca 0.63 -2.58 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 2aqe s THR 15 Cb 0.22 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.63 2aqe s THR 15 CO -0.03 -1.14 0.00 0.61 -0.54 0.00 0.00 174.62 173.52 2aqe n GLY 16 N 3.09 1.67 3.87 3.99 0.00 -1.26 -5.02 105.19 111.52 2aqe n GLY 16 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 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 3.21 0.00 0.99 1.43 -1.26 -5.05 118.68 117.99 2aqe s LEU 17 Ca 0.00 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.21 2aqe s LEU 17 Cb 0.00 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.43 2aqe s LEU 17 CO 0.00 -0.75 0.50 -0.81 0.23 0.00 0.00 176.35 175.51 2aqe n PRO 18 N -1.57 0.00 0.05 1.29 -0.04 -1.26 -3.00 135.00 130.47 2aqe n PRO 18 Ca 0.02 0.02 0.20 0.00 -0.04 0.00 0.00 63.50 63.71 2aqe n PRO 18 Cb 0.63 -1.00 0.59 0.00 -0.04 0.00 0.00 33.50 33.68 2aqe n PRO 18 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2aqe h GLY 19 N 0.00 0.00 -1.00 0.55 0.00 -1.98 -2.17 103.07 98.47 2aqe h GLY 19 Ca 0.00 0.00 0.42 0.00 0.00 0.00 0.00 47.33 47.75 2aqe h GLY 19 CO 0.00 0.00 0.84 -0.84 0.00 0.00 0.00 176.54 176.54 2aqe h THR 20 N 0.00 0.17 0.00 4.70 2.02 -1.90 1.13 112.91 119.04 2aqe h THR 20 Ca 0.24 -0.04 -0.15 0.00 0.77 0.00 0.00 66.41 67.23 2aqe h THR 20 Cb 1.70 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 2aqe h THR 20 CO -0.00 0.02 -1.02 -0.08 0.37 0.00 0.00 175.52 174.81 2aqe h GLU 21 N 0.12 0.00 0.00 6.66 4.81 -1.56 -3.25 114.58 121.36 2aqe h GLU 21 Ca 0.79 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 60.02 2aqe h GLU 21 Cb 2.47 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.85 2aqe h GLU 21 CO -0.39 0.45 0.00 0.87 -0.73 0.00 0.00 179.01 179.21 2aqe h LYS 22 N 0.00 0.00 -5.98 1.92 1.79 0.11 -3.43 116.57 110.98 2aqe h LYS 22 Ca -0.09 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.81 2aqe h LYS 22 Cb 1.54 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 32.13 2aqe h LYS 22 CO 0.06 0.00 0.19 -0.51 -1.08 0.00 0.00 179.45 178.11 2aqe s LEU 23 N -5.54 4.26 1.08 2.94 1.43 -0.53 -5.03 118.68 117.28 2aqe s LEU 23 Ca 0.04 1.17 -0.17 0.00 -1.03 0.00 0.00 54.13 54.14 2aqe s LEU 23 Cb 0.09 -3.13 0.09 0.00 0.03 0.00 0.00 46.19 43.27 2aqe s LEU 23 CO 0.54 -0.22 0.11 0.59 0.23 0.00 0.00 176.35 177.59 2aqe n ASN 24 N 4.35 -2.31 0.28 2.29 4.13 -1.26 -4.19 115.26 118.54 2aqe n ASN 24 Ca 0.01 -0.00 0.18 0.00 1.68 0.00 0.00 54.58 56.45 2aqe n ASN 24 Cb 0.50 -1.02 0.91 0.00 -1.54 0.00 0.00 39.78 38.63 2aqe n ASN 24 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 2aqe h GLU 25 N -1.93 0.00 0.10 3.52 4.11 -1.95 -0.12 114.58 118.30 2aqe h GLU 25 Ca -0.51 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 58.59 2aqe h GLU 25 Cb 1.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.57 2aqe h GLU 25 CO 0.37 0.00 -1.82 0.87 0.07 0.00 0.00 179.01 178.50 2aqe h LYS 26 N 0.00 0.20 -0.47 1.06 1.57 -2.01 -3.33 116.57 113.60 2aqe h LYS 26 Ca 0.04 -0.34 -0.13 0.00 -1.87 0.00 0.00 60.65 58.35 2aqe h LYS 26 Cb 0.51 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 2aqe h LYS 26 CO -0.00 1.01 -0.20 0.93 -0.57 0.00 0.00 179.45 180.62 2aqe h GLU 27 N 0.05 0.96 -0.53 3.15 5.08 -1.36 -1.80 114.58 120.13 2aqe h GLU 27 Ca -0.35 -0.41 0.09 0.00 -1.00 0.00 0.00 59.36 57.70 2aqe h GLU 27 Cb 2.03 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 31.17 2aqe h GLU 27 CO 0.11 1.07 0.12 0.87 -1.00 0.00 0.00 179.01 180.18 2aqe h LYS 28 N 0.80 0.25 -0.12 2.33 1.57 -1.28 0.25 116.57 120.37 2aqe h LYS 28 Ca 0.11 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 2aqe h LYS 28 Cb 0.77 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 2aqe h LYS 28 CO 0.06 0.17 -0.39 1.49 -0.57 0.00 0.00 179.45 180.21 2aqe h GLU 29 N 0.26 0.27 -0.96 3.15 4.81 -1.64 -2.38 114.58 118.09 2aqe h GLU 29 Ca 0.27 -0.12 0.15 0.00 -0.13 0.00 0.00 59.36 59.52 2aqe h GLU 29 Cb 0.37 -0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.66 2aqe h GLU 29 CO -0.34 0.62 0.61 -0.07 -0.73 0.00 0.00 179.01 179.10 2aqe h LEU 30 N 0.23 0.78 0.05 1.64 3.38 -0.06 0.31 115.31 121.64 2aqe h LEU 30 Ca 0.02 0.05 -0.24 0.00 0.09 0.00 0.00 57.88 57.81 2aqe h LEU 30 Cb 0.79 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2aqe h LEU 30 CO 0.06 0.38 -1.14 0.00 0.09 0.00 0.00 178.44 177.83 2aqe h GLN 32 N 0.03 0.00 0.00 0.00 1.08 -0.50 -2.72 115.11 112.99 2aqe h GLN 32 Ca -0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2aqe h GLN 32 Cb 1.86 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.29 2aqe h GLN 32 CO 0.15 0.07 -0.21 0.28 -0.95 0.00 0.00 178.83 178.18 2aqe h VAL 33 N 0.00 0.00 -2.42 -0.54 2.07 -1.09 -3.40 116.25 110.87 2aqe h VAL 33 Ca -0.00 -0.79 -0.71 0.00 0.82 0.00 0.00 66.70 66.02 2aqe h VAL 33 Cb 0.32 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.90 2aqe h VAL 33 CO 0.01 0.00 0.98 0.68 0.02 0.00 0.00 177.57 179.26 2aqe s VAL 34 N -1.72 4.91 -0.45 2.57 -7.23 -1.04 -4.93 120.40 112.51 2aqe s VAL 34 Ca -0.06 -2.05 -0.08 0.00 -1.81 0.00 0.00 61.98 57.98 2aqe s VAL 34 Cb 0.01 -4.81 -0.13 0.00 0.56 0.00 0.00 36.38 32.01 2aqe s VAL 34 CO 0.09 -1.52 1.08 -1.14 -0.31 0.00 0.00 175.10 173.30 2aqe n ARG 35 N 6.01 0.00 -4.29 4.82 0.63 -1.04 -4.60 116.66 118.18 2aqe n ARG 35 Ca 0.28 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 57.06 2aqe n ARG 35 Cb 0.46 -0.55 -0.10 0.00 0.45 0.00 0.00 32.46 32.72 2aqe n ARG 35 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2aqe s LEU 36 N 1.71 1.70 0.39 6.15 1.02 -1.13 -5.02 118.68 123.50 2aqe s LEU 36 Ca 0.61 -1.34 0.05 0.00 0.02 0.00 0.00 54.13 53.46 2aqe s LEU 36 Cb -0.46 0.03 -0.00 0.00 0.02 0.00 0.00 46.19 45.78 2aqe s LEU 36 CO 0.24 -0.70 0.56 -0.69 0.02 0.00 0.00 176.35 175.78 2aqe s VAL 37 N -3.76 3.84 0.01 -1.59 1.01 -1.26 -3.66 120.40 114.98 2aqe s VAL 37 Ca 0.35 -0.84 -0.21 0.00 0.00 0.00 0.00 61.98 61.28 2aqe s VAL 37 Cb 0.07 -3.35 -0.12 0.00 0.00 0.00 0.00 36.38 32.98 2aqe s VAL 37 CO 0.11 -0.18 1.06 -0.65 0.00 0.00 0.00 175.10 175.45 2aqe h PRO 38 N 0.67 -0.74 -0.49 2.72 0.11 -1.93 -1.47 132.00 130.88 2aqe h PRO 38 Ca -0.45 0.05 0.09 0.00 0.11 0.00 0.00 66.00 65.80 2aqe h PRO 38 Cb 1.26 0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.51 2aqe h PRO 38 CO 0.53 -0.49 0.33 0.78 -0.21 0.00 0.00 178.00 178.94 2aqe h GLY 39 N -0.96 0.35 0.32 -0.55 0.00 -1.96 0.64 103.07 100.91 2aqe h GLY 39 Ca -0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 2aqe h GLY 39 CO 0.13 0.06 -0.23 0.00 0.00 0.00 0.00 176.54 176.50 2aqe h ALA 40 N 1.75 -1.02 -0.57 3.60 0.00 -1.91 0.19 119.26 121.30 2aqe h ALA 40 Ca 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2aqe h ALA 40 Cb 0.56 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2aqe h ALA 40 CO -0.04 -1.02 0.36 -0.92 0.00 0.00 0.00 179.25 177.63 2aqe h TYR 41 N -0.53 0.73 -0.80 0.00 5.03 -0.81 -1.10 116.97 119.49 2aqe h TYR 41 Ca -0.04 0.01 0.23 0.00 2.58 0.00 0.00 58.73 61.51 2aqe h TYR 41 Cb 0.43 -0.24 -0.03 0.00 1.55 0.00 0.00 36.73 38.44 2aqe h TYR 41 CO -0.05 0.47 0.59 1.25 -1.32 0.00 0.00 178.16 179.11 2aqe h LEU 42 N 0.77 0.00 0.03 2.82 5.85 0.45 0.16 115.31 125.37 2aqe h LEU 42 Ca 0.21 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 2aqe h LEU 42 Cb -0.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2aqe h LEU 42 CO -0.04 0.00 -0.01 -0.08 -0.34 0.00 0.00 178.44 177.97 2aqe h GLU 43 N 0.00 -0.03 -0.92 1.25 4.81 0.68 -2.38 114.58 117.99 2aqe h GLU 43 Ca 0.38 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.78 2aqe h GLU 43 Cb 1.55 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.87 2aqe h GLU 43 CO -0.00 -0.02 0.59 1.88 -0.73 0.00 0.00 179.01 180.73 2aqe h TYR 44 N -0.48 0.81 -0.54 0.92 0.05 -1.25 0.36 116.97 116.84 2aqe h TYR 44 Ca -0.00 0.02 -0.12 0.00 0.05 0.00 0.00 58.73 58.69 2aqe h TYR 44 Cb 0.03 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.50 2aqe h TYR 44 CO 0.01 0.25 -0.11 -0.22 -1.05 0.00 0.00 178.16 177.04 2aqe h LYS 45 N 0.64 1.03 -0.03 4.88 3.11 -0.82 -2.51 116.57 122.88 2aqe h LYS 45 Ca 0.48 -0.39 -0.08 0.00 -2.81 0.00 0.00 60.65 57.86 2aqe h LYS 45 Cb 0.87 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.04 2aqe h LYS 45 CO -0.23 1.07 -0.28 0.77 -2.81 0.00 0.00 179.45 177.97 2aqe h SER 46 N 0.90 0.29 -0.96 4.20 0.02 -0.42 -2.69 113.55 114.90 2aqe h SER 46 Ca 0.14 -0.72 0.16 0.00 -0.84 0.00 0.00 61.79 60.53 2aqe h SER 46 Cb 0.69 -0.09 -0.10 0.00 0.14 0.00 0.00 62.40 63.04 2aqe h SER 46 CO 0.05 0.96 0.56 0.00 -1.14 0.00 0.00 176.83 177.27 2aqe h ALA 47 N 0.33 1.51 -0.17 3.77 0.00 -0.39 -1.77 119.26 122.54 2aqe h ALA 47 Ca -0.03 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 2aqe h ALA 47 Cb 0.98 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2aqe h ALA 47 CO 0.06 0.02 -0.40 -0.07 0.00 0.00 0.00 179.25 178.85 2aqe h LEU 48 N 0.79 0.64 -1.47 0.00 3.38 -1.48 -2.51 115.31 114.65 2aqe h LEU 48 Ca 0.52 -0.57 0.21 0.00 0.09 0.00 0.00 57.88 58.13 2aqe h LEU 48 Cb 0.71 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 2aqe h LEU 48 CO -0.34 1.09 0.61 0.25 0.09 0.00 0.00 178.44 180.14 2aqe h LEU 49 N 0.21 0.43 0.01 1.67 5.85 -0.98 0.22 115.31 122.72 2aqe h LEU 49 Ca -0.00 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 2aqe h LEU 49 Cb 1.01 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 42.02 2aqe h LEU 49 CO 0.09 0.16 -0.36 -1.13 -0.34 0.00 0.00 178.44 176.86 2aqe h ASN 50 N 0.43 0.30 -0.77 1.25 -1.24 -1.37 -2.69 115.58 111.48 2aqe h ASN 50 Ca 0.49 -0.80 0.00 0.00 0.71 0.00 0.00 56.30 56.70 2aqe h ASN 50 Cb 1.19 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 40.11 2aqe h ASN 50 CO -0.20 1.06 0.49 -0.08 -1.29 0.00 0.00 177.43 177.42 2aqe h GLU 51 N -0.43 1.04 -0.46 6.67 4.57 -0.78 -1.40 114.58 123.78 2aqe h GLU 51 Ca -0.05 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.03 2aqe h GLU 51 Cb 1.13 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 29.47 2aqe h GLU 51 CO 0.07 0.71 0.22 0.00 -1.18 0.00 0.00 179.01 178.83 2aqe h HIS 53 N 0.60 0.00 0.00 0.00 -0.00 -1.10 1.19 115.15 115.84 2aqe h HIS 53 Ca 0.16 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.49 2aqe h HIS 53 Cb 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.53 2aqe h HIS 53 CO -0.01 0.04 -0.21 -0.22 -0.00 0.00 0.00 177.93 177.53 2aqe h LYS 54 N 0.00 0.00 0.07 5.26 3.64 -0.29 -3.38 116.57 121.86 2aqe h LYS 54 Ca -0.00 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 2aqe h LYS 54 Cb 0.31 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 2aqe h LYS 54 CO 0.01 0.77 -1.49 1.96 -2.27 0.00 0.00 179.45 178.43 2aqe h GLN 55 N -1.00 0.14 0.00 1.90 4.20 -1.13 -3.49 115.11 115.73 2aqe h GLN 55 Ca -0.05 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.41 2aqe h GLN 55 Cb 0.84 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.71 2aqe h GLN 55 CO -0.03 0.95 0.00 0.41 -0.67 0.00 0.00 178.83 179.49 2aqe n GLY 56 N 1.59 1.93 3.67 3.46 0.00 0.41 -4.97 105.19 111.28 2aqe n GLY 56 Ca -0.14 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 44.85 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 2.05 -0.48 -0.02 0.00 -1.26 -4.58 107.32 103.03 2aqe s GLY 57 Ca 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 44.72 44.09 2aqe s GLY 57 CO 0.00 0.62 0.23 -2.27 0.00 0.00 0.00 173.10 171.69 2aqe s LEU 58 N 1.15 3.97 1.07 0.66 1.98 -0.98 -4.85 118.68 121.69 2aqe s LEU 58 Ca 0.14 -2.83 -0.20 0.00 -2.89 0.00 0.00 54.13 48.35 2aqe s LEU 58 Cb -0.14 -1.50 0.02 0.00 0.66 0.00 0.00 46.19 45.23 2aqe s LEU 58 CO 0.06 -0.25 -0.31 0.54 -1.89 0.00 0.00 176.35 174.50 2aqe n ARG 59 N 3.33 -1.04 -0.02 1.98 5.12 -1.26 -3.73 116.66 121.04 2aqe n ARG 59 Ca 0.05 -0.29 -0.17 0.00 -1.93 0.00 0.00 57.85 55.52 2aqe n ARG 59 Cb 0.34 -1.54 -0.14 0.00 -1.16 0.00 0.00 32.46 29.96 2aqe n ARG 59 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2aqe h LEU 60 N -1.74 0.21 -0.06 0.55 5.85 -1.88 -3.23 115.31 115.01 2aqe h LEU 60 Ca -0.49 -0.97 0.04 0.00 0.84 0.00 0.00 57.88 57.29 2aqe h LEU 60 Cb 1.36 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.26 2aqe h LEU 60 CO 0.34 1.18 -0.35 0.00 -0.34 0.00 0.00 178.44 179.27 2aqe h ALA 61 N 0.03 -0.48 -0.94 1.25 0.00 -1.97 0.94 119.26 118.08 2aqe h ALA 61 Ca -0.07 -0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.07 2aqe h ALA 61 Cb 1.29 0.64 -0.06 0.00 0.00 0.00 0.00 17.79 19.66 2aqe h ALA 61 CO 0.06 -0.85 0.64 1.96 0.00 0.00 0.00 179.25 181.06 2aqe h GLN 62 N -0.47 0.26 -0.44 0.00 7.50 -1.94 0.15 115.11 120.17 2aqe h GLN 62 Ca 0.07 -0.02 -0.05 0.00 0.50 0.00 0.00 58.65 59.16 2aqe h GLN 62 Cb 0.58 -0.06 -0.02 0.00 0.05 0.00 0.00 27.48 28.03 2aqe h GLN 62 CO -0.32 0.17 0.09 0.00 -1.50 0.00 0.00 178.83 177.27 2aqe h ALA 63 N 1.59 0.58 -0.58 3.87 0.00 -0.85 -1.68 119.26 122.19 2aqe h ALA 63 Ca 0.49 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.26 2aqe h ALA 63 Cb 1.45 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 2aqe h ALA 63 CO -0.14 0.28 0.26 0.00 0.00 0.00 0.00 179.25 179.64 2aqe h ARG 64 N 0.58 0.46 0.00 0.00 -0.00 -0.07 0.23 114.38 115.58 2aqe h ARG 64 Ca 0.14 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.59 2aqe h ARG 64 Cb 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 29.97 30.21 2aqe h ARG 64 CO 0.00 0.30 0.00 0.00 0.00 0.00 0.00 179.97 180.28 2aqe n ALA 65 N -2.41 2.39 -0.05 0.04 0.00 -1.07 -4.20 120.51 115.21 2aqe n ALA 65 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2aqe n ALA 65 Cb 0.22 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 -1.21 0.06 0.00 0.00 0.00 0.76 -5.03 117.00 111.59 2aqe n LEU 66 Ca 0.15 0.22 -0.06 0.00 0.00 0.00 0.00 56.01 56.32 2aqe n LEU 66 Cb 0.18 -0.48 0.03 0.00 0.00 0.00 0.00 43.42 43.16 2aqe n LEU 66 CO 0.19 -0.48 0.14 2.30 0.00 0.00 0.00 177.39 179.55 2aqe n ILE 67 N -2.21 0.00 0.00 1.96 -5.35 -0.95 -4.93 119.36 107.88 2aqe n ILE 67 Ca 0.00 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 2aqe n ILE 67 Cb 0.00 -1.33 0.00 0.00 -1.74 0.00 0.00 39.64 36.57 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 -1.47 0.00 0.00 6.28 5.02 -1.26 -4.55 118.16 122.17 2aqe n LYS 68 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2aqe n LYS 68 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.15 2aqe n LYS 68 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2aqe n ILE 69 N 0.00 0.00 0.00 -0.18 -6.64 -1.26 -5.10 119.36 106.18 2aqe n ILE 69 Ca 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 2aqe n ILE 69 Cb 0.00 0.19 0.00 0.00 -1.44 0.00 0.00 39.64 38.39 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 0.00 0.00 0.00 7.28 9.92 -1.26 -5.04 116.55 127.45 2aqe n ASP 70 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2aqe n ASP 70 Cb 0.06 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.54 2aqe n ASP 70 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 2aqe n VAL 71 N -0.01 0.00 0.17 2.53 3.14 -1.26 -4.50 118.33 118.40 2aqe n VAL 71 Ca 0.00 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.40 2aqe n VAL 71 Cb 0.00 0.00 0.30 0.00 -1.06 0.00 0.00 33.84 33.08 2aqe n VAL 71 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 2aqe h ASN 72 N 0.00 0.00 0.66 6.55 -0.73 -1.97 0.33 115.58 120.43 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 0.45 -0.32 0.11 -0.37 0.00 0.00 177.43 177.30 2aqe h LYS 73 N 0.00 -0.85 -0.68 6.67 6.56 -1.99 -2.35 116.57 123.94 2aqe h LYS 73 Ca -0.00 0.06 -0.03 0.00 -1.06 0.00 0.00 60.65 59.62 2aqe h LYS 73 Cb 0.82 0.19 -0.03 0.00 -0.57 0.00 0.00 32.23 32.64 2aqe h LYS 73 CO 0.06 -0.56 0.32 1.15 -2.06 0.00 0.00 179.45 178.35 2aqe h THR 74 N -1.23 1.23 -1.05 -0.16 2.02 -1.89 -1.81 112.91 110.02 2aqe h THR 74 Ca -0.09 -0.65 0.28 0.00 0.77 0.00 0.00 66.41 66.72 2aqe h THR 74 Cb 0.69 0.41 -0.07 0.00 -1.74 0.00 0.00 68.15 67.43 2aqe h THR 74 CO 0.15 0.27 0.71 -0.09 0.37 0.00 0.00 175.52 176.93 2aqe h ARG 75 N 0.94 0.22 0.15 6.66 2.43 -0.31 0.39 114.38 124.85 2aqe h ARG 75 Ca 0.23 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 2aqe h ARG 75 Cb 0.13 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2aqe h ARG 75 CO -0.03 0.14 -0.07 0.87 -1.51 0.00 0.00 179.97 179.37 2aqe h LYS 76 N 0.22 -0.19 -0.36 0.20 1.57 -0.76 -1.26 116.57 115.99 2aqe h LYS 76 Ca 0.55 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.38 2aqe h LYS 76 Cb 1.73 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 34.05 2aqe h LYS 76 CO -0.16 -0.13 0.14 0.82 -0.57 0.00 0.00 179.45 179.54 2aqe h ILE 77 N -0.78 0.91 -0.17 1.86 2.04 -1.21 -2.64 117.51 117.53 2aqe h ILE 77 Ca -0.02 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 2aqe h ILE 77 Cb 0.16 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2aqe h ILE 77 CO 0.03 0.05 0.02 0.22 0.00 0.00 0.00 178.15 178.48 2aqe h TYR 78 N 0.29 0.30 -0.97 1.37 3.20 -0.38 -2.49 116.97 118.30 2aqe h TYR 78 Ca 0.16 -0.05 0.27 0.00 3.14 0.00 0.00 58.73 62.25 2aqe h TYR 78 Cb 0.12 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.26 2aqe h TYR 78 CO -0.13 0.46 0.68 0.22 -1.64 0.00 0.00 178.16 177.74 2aqe h ASP 79 N 0.05 0.12 0.31 -2.11 1.82 -1.00 0.29 116.42 115.90 2aqe h ASP 79 Ca 0.05 0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.69 2aqe h ASP 79 Cb 0.33 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.34 2aqe h ASP 79 CO 0.00 0.04 -0.15 0.15 -1.61 0.00 0.00 179.24 177.67 2aqe h PHE 80 N 0.12 -0.38 -0.63 0.28 3.57 -1.10 -2.16 116.94 116.64 2aqe h PHE 80 Ca 0.48 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.96 2aqe h PHE 80 Cb 1.69 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 40.53 2aqe h PHE 80 CO -0.00 -0.04 0.35 -0.07 -2.23 0.00 0.00 178.31 176.32 2aqe h LEU 81 N -0.92 0.78 0.42 0.59 3.38 -0.98 0.21 115.31 118.79 2aqe h LEU 81 Ca -0.04 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2aqe h LEU 81 Cb 0.51 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2aqe h LEU 81 CO 0.07 0.64 -0.38 0.40 0.09 0.00 0.00 178.44 179.26 2aqe h ILE 82 N 0.86 0.00 0.00 1.22 1.08 -0.54 -2.78 117.51 117.35 2aqe h ILE 82 Ca 0.22 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.66 2aqe h ILE 82 Cb 0.03 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 33.78 2aqe h ILE 82 CO -0.04 0.00 -0.16 0.03 -0.69 0.00 0.00 178.15 177.29 2aqe h ARG 83 N -0.79 0.00 0.00 2.37 -0.00 -1.36 -3.44 114.38 111.16 2aqe h ARG 83 Ca -0.05 0.00 -0.13 0.00 -0.50 0.00 0.00 59.98 59.30 2aqe h ARG 83 Cb 0.68 0.00 0.02 0.00 0.00 0.00 0.00 29.97 30.67 2aqe h ARG 83 CO -0.03 0.16 0.02 0.39 0.00 0.00 0.00 179.97 180.52 2aqe n GLU 84 N -3.37 0.50 -3.05 0.04 -0.58 0.72 -5.01 120.64 109.89 2aqe n GLU 84 Ca -0.00 -0.76 -0.45 0.00 -0.42 0.00 0.00 57.16 55.53 2aqe n GLU 84 Cb 0.37 -0.16 -0.02 0.00 -0.57 0.00 0.00 31.44 31.06 2aqe n GLU 84 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2aqe s GLY 85 N -3.06 2.25 0.00 0.62 0.00 -1.26 -4.48 107.32 101.40 2aqe s GLY 85 Ca 0.18 -3.05 0.00 0.00 0.00 0.00 0.00 44.72 41.85 2aqe s GLY 85 CO 0.12 1.80 0.00 -1.72 0.00 0.00 0.00 173.10 173.30 2aqe n TYR 86 N 5.58 -0.55 -2.49 1.90 4.01 -1.18 -5.06 117.16 119.36 2aqe n TYR 86 Ca 0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.98 2aqe n TYR 86 Cb 0.47 0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.68 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 -1.86 0.00 -3.91 -0.72 -5.35 -1.16 -4.92 119.36 101.45 2aqe n ILE 87 Ca 0.00 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.39 2aqe n ILE 87 Cb 0.00 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 37.81 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 -0.14 0.14 -0.02 7.28 -4.23 -1.26 -4.70 115.64 112.72 2aqe s THR 88 Ca 0.00 -1.18 0.02 0.00 -1.18 0.00 0.00 61.69 59.35 2aqe s THR 88 Cb 0.00 -1.12 0.03 0.00 1.34 0.00 0.00 72.50 72.75 2aqe s THR 88 CO 0.00 -0.65 0.99 1.17 -0.54 0.00 0.00 174.62 175.59 2aqe n LYS 89 N 0.40 2.63 -0.28 3.99 4.81 -1.24 -2.31 118.16 126.16 2aqe n LYS 89 Ca -0.17 -1.57 0.00 0.00 -0.87 0.00 0.00 58.31 55.70 2aqe n LYS 89 Cb 0.60 -1.03 0.00 0.00 0.02 0.00 0.00 35.03 34.62 2aqe n LYS 89 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57