#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 -7.24 -2.66 1.61 2.88 -1.26 -4.80 113.62 102.15 2aqe n SER 2 Ca 0.00 0.56 -0.27 0.00 -1.33 0.00 0.00 58.87 57.82 2aqe n SER 2 Cb 0.00 -4.05 -0.07 0.00 -0.75 0.00 0.00 64.21 59.34 2aqe n SER 2 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2aqe n ASN 3 N 0.14 6.74 0.01 -3.46 3.02 -1.26 -4.20 115.26 116.25 2aqe n ASN 3 Ca 0.03 -2.97 0.00 0.00 -0.03 0.00 0.00 54.58 51.62 2aqe n ASN 3 Cb 0.42 -1.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.25 2aqe n ASN 3 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2aqe n SER 4 N 1.68 0.08 -1.44 6.41 7.64 -1.26 -5.08 113.62 121.65 2aqe n SER 4 Ca 0.53 0.02 0.00 0.00 1.01 0.00 0.00 58.87 60.44 2aqe n SER 4 Cb 0.54 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 2aqe n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aqe n GLY 5 N 2.68 -1.51 3.61 0.23 0.00 -1.26 -3.65 105.19 105.29 2aqe n GLY 5 Ca 0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.58 0.75 0.12 1.61 3.52 -1.26 -2.36 118.95 120.75 2aqe s ARG 6 Ca 0.00 0.64 -0.26 0.00 -0.13 0.00 0.00 55.73 55.98 2aqe s ARG 6 Cb 0.00 0.36 0.08 0.00 -1.56 0.00 0.00 34.95 33.83 2aqe s ARG 6 CO 0.00 -0.14 1.05 0.50 -0.81 0.00 0.00 175.30 175.90 2aqe s ARG 7 N -0.14 1.05 0.25 5.12 3.52 -1.26 -5.06 118.95 122.44 2aqe s ARG 7 Ca -0.01 -0.61 0.00 0.00 -0.13 0.00 0.00 55.73 54.98 2aqe s ARG 7 Cb -0.04 0.34 0.00 0.00 -1.56 0.00 0.00 34.95 33.70 2aqe s ARG 7 CO 0.01 -0.48 0.00 0.45 -0.81 0.00 0.00 175.30 174.46 2aqe n SER 8 N -0.64 -6.04 -4.00 -2.12 2.88 -1.26 -4.65 113.62 97.78 2aqe n SER 8 Ca -0.06 0.45 -0.28 0.00 -1.33 0.00 0.00 58.87 57.65 2aqe n SER 8 Cb 0.61 -3.30 0.16 0.00 -0.75 0.00 0.00 64.21 60.93 2aqe n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2aqe n ALA 9 N -1.91 -3.22 -1.50 -1.46 0.00 -1.26 -4.65 120.51 106.51 2aqe n ALA 9 Ca 0.00 -1.25 -0.46 0.00 0.00 0.00 0.00 53.44 51.73 2aqe n ALA 9 Cb 0.62 -1.27 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 2aqe n ALA 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2aqe n PRO 10 N -1.88 1.19 0.00 0.00 -0.04 -1.26 -4.93 135.00 128.08 2aqe n PRO 10 Ca 0.03 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 2aqe n PRO 10 Cb 0.54 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 2aqe n PRO 10 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2aqe n PRO 11 N 8.49 1.49 -3.67 0.54 -0.02 -1.26 -5.00 135.00 135.56 2aqe n PRO 11 Ca 0.40 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.58 2aqe n PRO 11 Cb 0.32 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.65 2aqe n PRO 11 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2aqe s LEU 12 N 0.00 1.74 -1.52 2.45 1.02 -1.26 -4.78 118.68 116.33 2aqe s LEU 12 Ca 0.00 -1.58 0.00 0.00 0.02 0.00 0.00 54.13 52.57 2aqe s LEU 12 Cb 0.00 -0.71 0.00 0.00 0.02 0.00 0.00 46.19 45.50 2aqe s LEU 12 CO 0.00 -0.42 0.00 0.59 0.02 0.00 0.00 176.35 176.54 2aqe n ASN 13 N 4.91 -3.99 -1.01 2.29 4.13 -1.26 -3.79 115.26 116.54 2aqe n ASN 13 Ca -0.03 0.33 0.04 0.00 1.68 0.00 0.00 54.58 56.61 2aqe n ASN 13 Cb 0.42 -3.61 0.07 0.00 -1.54 0.00 0.00 39.78 35.12 2aqe n ASN 13 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 2aqe n LEU 14 N -2.12 1.39 -4.40 3.41 -0.00 -1.26 -4.28 117.00 109.74 2aqe n LEU 14 Ca -0.15 -2.42 -0.31 0.00 -0.00 0.00 0.00 56.01 53.13 2aqe n LEU 14 Cb 0.51 -0.17 -0.14 0.00 -0.00 0.00 0.00 43.42 43.63 2aqe n LEU 14 CO 0.22 0.71 -0.53 0.28 -0.00 0.00 0.00 177.39 178.07 2aqe s THR 15 N -1.04 2.48 -1.89 1.96 -1.32 -1.26 -4.59 115.64 109.97 2aqe s THR 15 Ca 0.30 -1.27 0.00 0.00 -1.21 0.00 0.00 61.69 59.51 2aqe s THR 15 Cb 0.32 -2.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.30 2aqe s THR 15 CO -0.10 0.36 0.00 0.61 -2.21 0.00 0.00 174.62 173.28 2aqe n GLY 16 N 1.70 0.58 3.95 6.08 0.00 -1.00 -4.96 105.19 111.54 2aqe n GLY 16 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 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 -5.38 2.84 -0.09 0.99 1.43 -1.24 -4.98 118.68 112.26 2aqe s LEU 17 Ca 0.00 -1.10 -0.08 0.00 -1.03 0.00 0.00 54.13 51.92 2aqe s LEU 17 Cb 0.00 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.85 2aqe s LEU 17 CO 0.00 -1.19 -0.15 -0.81 0.23 0.00 0.00 176.35 174.43 2aqe n PRO 18 N -1.94 0.28 0.08 1.29 -0.04 -1.26 -4.34 135.00 129.07 2aqe n PRO 18 Ca 0.05 0.26 0.20 0.00 -0.04 0.00 0.00 63.50 63.97 2aqe n PRO 18 Cb 0.63 -1.15 0.66 0.00 -0.04 0.00 0.00 33.50 33.60 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 -0.56 0.00 0.01 0.55 0.00 -1.98 -2.46 103.07 98.63 2aqe h GLY 19 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 2aqe h GLY 19 CO 0.00 0.00 -0.36 -0.84 0.00 0.00 0.00 176.54 175.34 2aqe h THR 20 N 0.00 0.00 -0.24 4.70 2.02 -1.92 0.12 112.91 117.60 2aqe h THR 20 Ca 0.22 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.47 2aqe h THR 20 Cb 1.46 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 2aqe h THR 20 CO -0.00 0.00 0.44 1.05 0.37 0.00 0.00 175.52 177.38 2aqe h GLU 21 N -0.46 0.00 0.00 6.66 4.11 -1.68 0.57 114.58 123.78 2aqe h GLU 21 Ca 0.01 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.27 2aqe h GLU 21 Cb 0.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2aqe h GLU 21 CO -0.24 0.00 -0.77 0.87 0.07 0.00 0.00 179.01 178.94 2aqe h LYS 22 N 0.00 0.00 -6.64 1.06 1.57 -0.90 -3.44 116.57 108.22 2aqe h LYS 22 Ca 0.11 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.37 2aqe h LYS 22 Cb 0.99 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.34 2aqe h LYS 22 CO -0.00 0.77 0.75 -0.51 -0.57 0.00 0.00 179.45 179.89 2aqe s LEU 23 N -6.83 4.38 1.00 2.94 1.43 0.20 -4.97 118.68 116.84 2aqe s LEU 23 Ca 0.01 2.49 -0.12 0.00 -1.03 0.00 0.00 54.13 55.48 2aqe s LEU 23 Cb 0.10 -3.60 0.16 0.00 0.03 0.00 0.00 46.19 42.88 2aqe s LEU 23 CO 0.78 -0.67 0.89 0.59 0.23 0.00 0.00 176.35 178.17 2aqe n ASN 24 N 3.24 -0.82 0.07 2.29 3.02 -1.26 -4.29 115.26 117.51 2aqe n ASN 24 Ca 0.10 0.22 0.21 0.00 -0.03 0.00 0.00 54.58 55.08 2aqe n ASN 24 Cb 0.41 -1.34 0.72 0.00 -0.61 0.00 0.00 39.78 38.96 2aqe n ASN 24 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2aqe h GLU 25 N -2.04 0.00 0.12 3.52 5.08 -1.95 0.14 114.58 119.45 2aqe h GLU 25 Ca -0.48 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.55 2aqe h GLU 25 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2aqe h GLU 25 CO 0.41 0.00 -1.76 0.87 -1.00 0.00 0.00 179.01 177.54 2aqe h LYS 26 N 0.00 0.26 -0.74 2.33 1.57 -2.01 -3.31 116.57 114.68 2aqe h LYS 26 Ca 0.22 -0.45 -0.05 0.00 -1.87 0.00 0.00 60.65 58.49 2aqe h LYS 26 Cb 1.24 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.69 2aqe h LYS 26 CO -0.00 1.22 0.25 0.93 -0.57 0.00 0.00 179.45 181.27 2aqe h GLU 27 N -0.11 1.12 -0.37 3.15 5.08 -1.36 -1.92 114.58 120.19 2aqe h GLU 27 Ca -0.38 -0.23 0.06 0.00 -1.00 0.00 0.00 59.36 57.82 2aqe h GLU 27 Cb 1.92 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 30.95 2aqe h GLU 27 CO 0.07 0.94 0.04 0.87 -1.00 0.00 0.00 179.01 179.93 2aqe h LYS 28 N 1.09 0.15 0.00 2.33 1.57 -0.97 0.71 116.57 121.44 2aqe h LYS 28 Ca 0.24 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 2aqe h LYS 28 Cb 0.27 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2aqe h LYS 28 CO -0.01 0.10 -0.17 1.49 -0.57 0.00 0.00 179.45 180.28 2aqe h GLU 29 N 0.15 0.00 -0.29 3.15 4.22 -1.57 -1.84 114.58 118.40 2aqe h GLU 29 Ca 0.18 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.64 2aqe h GLU 29 Cb 0.23 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2aqe h GLU 29 CO -0.26 0.17 0.13 1.25 -2.18 0.00 0.00 179.01 178.12 2aqe h LEU 30 N 0.00 0.19 -0.27 1.64 6.46 -0.07 -1.63 115.31 121.62 2aqe h LEU 30 Ca -0.00 0.02 -0.19 0.00 -0.12 0.00 0.00 57.88 57.58 2aqe h LEU 30 Cb 0.31 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.23 2aqe h LEU 30 CO 0.02 0.14 -0.59 0.00 -0.62 0.00 0.00 178.44 177.40 2aqe h GLN 32 N 0.66 0.00 0.00 0.00 4.20 -0.98 -2.90 115.11 116.09 2aqe h GLN 32 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2aqe h GLN 32 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 2aqe h GLN 32 CO 0.13 0.00 -0.33 0.28 -0.67 0.00 0.00 178.83 178.24 2aqe n VAL 33 N -3.70 0.92 -2.61 -0.54 0.31 -0.65 -4.52 118.33 107.54 2aqe n VAL 33 Ca 0.03 0.32 -0.43 0.00 -0.01 0.00 0.00 64.34 64.25 2aqe n VAL 33 Cb 0.41 -2.08 -0.00 0.00 -0.91 0.00 0.00 33.84 31.26 2aqe n VAL 33 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2aqe s VAL 34 N -1.80 4.18 -0.50 2.52 0.11 -0.50 -4.90 120.40 119.51 2aqe s VAL 34 Ca -0.10 -1.89 -0.12 0.00 -2.93 0.00 0.00 61.98 56.94 2aqe s VAL 34 Cb 0.01 -5.17 -0.13 0.00 -1.53 0.00 0.00 36.38 29.57 2aqe s VAL 34 CO 0.14 -1.99 1.27 -2.11 -3.33 0.00 0.00 175.10 169.08 2aqe n ARG 35 N 8.22 0.00 -1.04 1.54 -4.01 -1.12 -4.63 116.66 115.62 2aqe n ARG 35 Ca 0.47 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.28 2aqe n ARG 35 Cb 0.46 -0.67 0.00 0.00 -3.04 0.00 0.00 32.46 29.21 2aqe n ARG 35 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 2aqe n LEU 36 N 4.48 0.00 -4.34 2.89 7.94 -1.24 -5.01 117.00 121.72 2aqe n LEU 36 Ca 0.33 0.00 -0.20 0.00 -1.11 0.00 0.00 56.01 55.04 2aqe n LEU 36 Cb 0.03 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.88 2aqe n LEU 36 CO 0.49 0.00 -0.46 0.68 -1.11 0.00 0.00 177.39 177.00 2aqe s VAL 37 N -1.78 1.79 0.00 1.96 -7.23 -1.26 -4.07 120.40 109.81 2aqe s VAL 37 Ca 0.00 -2.11 -0.05 0.00 -1.81 0.00 0.00 61.98 58.01 2aqe s VAL 37 Cb 0.00 -1.97 -0.03 0.00 0.56 0.00 0.00 36.38 34.94 2aqe s VAL 37 CO 0.00 -0.49 0.84 -0.65 -0.31 0.00 0.00 175.10 174.50 2aqe h PRO 38 N 2.80 -0.16 -1.16 4.82 0.11 -1.92 0.40 132.00 136.89 2aqe h PRO 38 Ca -0.40 0.01 0.33 0.00 0.11 0.00 0.00 66.00 66.06 2aqe h PRO 38 Cb 1.22 0.04 -0.10 0.00 0.11 0.00 0.00 31.00 32.27 2aqe h PRO 38 CO 0.58 -0.11 0.76 0.78 -0.21 0.00 0.00 178.00 179.80 2aqe h GLY 39 N -0.20 1.02 0.17 -0.55 0.00 -1.97 1.38 103.07 102.92 2aqe h GLY 39 Ca -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2aqe h GLY 39 CO 0.03 -0.18 -0.08 0.00 0.00 0.00 0.00 176.54 176.30 2aqe h ALA 40 N 1.57 -0.24 -0.60 3.60 0.00 -1.98 -2.11 119.26 119.48 2aqe h ALA 40 Ca 0.66 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.61 2aqe h ALA 40 Cb 1.96 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.76 2aqe h ALA 40 CO -0.28 -0.23 0.21 -0.92 0.00 0.00 0.00 179.25 178.04 2aqe h TYR 41 N -1.00 0.37 -0.90 0.00 5.03 -0.16 0.34 116.97 120.64 2aqe h TYR 41 Ca -0.02 0.03 0.14 0.00 2.58 0.00 0.00 58.73 61.45 2aqe h TYR 41 Cb 0.18 -0.07 -0.07 0.00 1.55 0.00 0.00 36.73 38.31 2aqe h TYR 41 CO 0.00 0.08 0.58 1.25 -1.32 0.00 0.00 178.16 178.75 2aqe h LEU 42 N 0.39 0.70 0.26 2.82 5.85 0.17 0.19 115.31 125.69 2aqe h LEU 42 Ca 0.31 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 2aqe h LEU 42 Cb 0.39 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2aqe h LEU 42 CO -0.32 0.36 -0.12 -0.33 -0.34 0.00 0.00 178.44 177.69 2aqe h GLU 43 N 0.75 -0.34 -0.51 1.25 4.39 0.21 -2.72 114.58 117.61 2aqe h GLU 43 Ca 0.45 0.02 0.10 0.00 0.34 0.00 0.00 59.36 60.27 2aqe h GLU 43 Cb 0.66 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 29.28 2aqe h GLU 43 CO -0.21 -0.11 -0.20 1.88 -1.16 0.00 0.00 179.01 179.21 2aqe h TYR 44 N -1.04 -0.48 -0.70 4.33 0.05 -0.27 0.13 116.97 118.98 2aqe h TYR 44 Ca -0.04 0.05 0.11 0.00 0.05 0.00 0.00 58.73 58.91 2aqe h TYR 44 Cb 0.38 0.29 -0.08 0.00 1.01 0.00 0.00 36.73 38.33 2aqe h TYR 44 CO 0.03 -0.29 0.31 -0.22 -1.05 0.00 0.00 178.16 176.94 2aqe h LYS 45 N -0.08 0.49 -0.11 4.88 3.64 -0.72 0.14 116.57 124.81 2aqe h LYS 45 Ca 0.24 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 2aqe h LYS 45 Cb 0.45 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2aqe h LYS 45 CO -0.57 0.32 -0.11 0.77 -2.27 0.00 0.00 179.45 177.60 2aqe h SER 46 N 0.50 0.16 0.36 4.20 0.02 -0.48 -1.99 113.55 116.32 2aqe h SER 46 Ca 0.36 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 61.20 2aqe h SER 46 Cb 0.46 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2aqe h SER 46 CO -0.32 0.29 -0.40 0.00 -1.14 0.00 0.00 176.83 175.25 2aqe h ALA 47 N 1.73 1.27 -0.08 3.77 0.00 0.90 -2.47 119.26 124.38 2aqe h ALA 47 Ca 0.04 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 2aqe h ALA 47 Cb 0.30 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.02 2aqe h ALA 47 CO 0.02 0.53 -0.51 -0.07 0.00 0.00 0.00 179.25 179.22 2aqe h LEU 48 N 0.06 0.58 -0.39 0.00 3.38 -0.78 -0.82 115.31 117.33 2aqe h LEU 48 Ca 0.00 -0.67 -0.00 0.00 0.09 0.00 0.00 57.88 57.30 2aqe h LEU 48 Cb 0.74 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2aqe h LEU 48 CO 0.06 1.16 0.24 -0.07 0.09 0.00 0.00 178.44 179.92 2aqe h LEU 49 N 0.04 0.46 0.21 1.67 3.38 -1.40 0.12 115.31 119.80 2aqe h LEU 49 Ca -0.04 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2aqe h LEU 49 Cb 1.17 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2aqe h LEU 49 CO 0.10 0.37 -0.10 -1.13 0.09 0.00 0.00 178.44 177.77 2aqe h ASN 50 N 0.52 -0.24 -0.61 -0.43 -0.73 -1.50 -2.26 115.58 110.32 2aqe h ASN 50 Ca 0.14 -0.28 0.07 0.00 1.87 0.00 0.00 56.30 58.10 2aqe h ASN 50 Cb -0.01 0.06 -0.06 0.00 0.27 0.00 0.00 38.32 38.58 2aqe h ASN 50 CO -0.03 0.23 0.29 -0.08 -0.37 0.00 0.00 177.43 177.47 2aqe h GLU 51 N -0.80 0.51 -0.31 6.67 4.81 -1.13 -0.50 114.58 123.83 2aqe h GLU 51 Ca -0.03 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2aqe h GLU 51 Cb 0.51 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 2aqe h GLU 51 CO 0.05 0.34 0.09 0.00 -0.73 0.00 0.00 179.01 178.75 2aqe h HIS 53 N 0.43 0.00 -0.02 0.00 -0.00 -0.49 0.98 115.15 116.06 2aqe h HIS 53 Ca 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.47 2aqe h HIS 53 Cb 0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.56 2aqe h HIS 53 CO 0.00 0.34 -0.01 0.87 -0.00 0.00 0.00 177.93 179.13 2aqe h LYS 54 N 0.00 0.04 0.00 5.26 1.79 -0.50 -3.24 116.57 119.93 2aqe h LYS 54 Ca -0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2aqe h LYS 54 Cb 0.67 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 2aqe h LYS 54 CO 0.04 0.49 -0.68 1.96 -1.08 0.00 0.00 179.45 180.19 2aqe h GLN 55 N -0.40 0.00 0.00 3.15 1.08 -1.42 -3.48 115.11 114.04 2aqe h GLN 55 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2aqe h GLN 55 Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 2aqe h GLN 55 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 2aqe n GLY 56 N 1.18 2.84 3.15 3.46 0.00 0.34 -4.97 105.19 111.19 2aqe n GLY 56 Ca 0.02 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.80 0.12 -0.18 -0.02 0.00 -1.18 -4.72 107.32 99.54 2aqe s GLY 57 Ca 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 44.72 44.18 2aqe s GLY 57 CO 0.00 -0.66 0.16 1.08 0.00 0.00 0.00 173.10 173.69 2aqe s LEU 58 N -2.28 0.08 1.25 0.66 1.43 0.28 -4.81 118.68 115.29 2aqe s LEU 58 Ca -0.03 -0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 52.56 2aqe s LEU 58 Cb 0.00 0.11 0.31 0.00 0.03 0.00 0.00 46.19 46.65 2aqe s LEU 58 CO -0.06 -0.33 1.00 -0.60 0.23 0.00 0.00 176.35 176.59 2aqe s ARG 59 N 2.24 -1.62 0.09 1.70 3.52 -1.25 -3.71 118.95 119.93 2aqe s ARG 59 Ca 0.05 0.57 0.15 0.00 -0.13 0.00 0.00 55.73 56.36 2aqe s ARG 59 Cb -0.16 -1.49 -0.12 0.00 -1.56 0.00 0.00 34.95 31.62 2aqe s ARG 59 CO -0.10 -4.11 0.94 1.25 -0.81 0.00 0.00 175.30 172.47 2aqe h LEU 60 N -2.89 0.00 0.44 -0.88 5.85 -1.93 -3.12 115.31 112.78 2aqe h LEU 60 Ca -0.56 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.13 2aqe h LEU 60 Cb 1.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.37 2aqe h LEU 60 CO 0.44 0.65 -0.21 0.00 -0.34 0.00 0.00 178.44 178.98 2aqe h ALA 61 N 1.35 -0.59 -0.52 1.25 0.00 -2.00 -2.00 119.26 116.74 2aqe h ALA 61 Ca -0.14 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 54.76 2aqe h ALA 61 Cb 1.62 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 2aqe h ALA 61 CO 0.06 -0.57 0.47 1.96 0.00 0.00 0.00 179.25 181.17 2aqe h GLN 62 N -1.11 0.00 -0.18 0.00 4.20 -1.96 0.21 115.11 116.27 2aqe h GLN 62 Ca -0.06 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 2aqe h GLN 62 Cb 0.51 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 2aqe h GLN 62 CO 0.10 0.00 0.02 0.00 -0.67 0.00 0.00 178.83 178.28 2aqe h ALA 63 N 1.55 0.24 -0.74 3.87 0.00 -1.44 -0.39 119.26 122.34 2aqe h ALA 63 Ca 0.25 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 55.12 2aqe h ALA 63 Cb 1.19 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 2aqe h ALA 63 CO -0.00 -0.09 0.49 0.00 0.00 0.00 0.00 179.25 179.65 2aqe h ARG 64 N 0.08 0.45 -0.01 0.00 -0.00 0.17 0.19 114.38 115.25 2aqe h ARG 64 Ca 0.05 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.51 2aqe h ARG 64 Cb 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 29.97 30.19 2aqe h ARG 64 CO 0.00 0.30 -0.27 0.00 0.00 0.00 0.00 179.97 180.00 2aqe n ALA 65 N -2.51 3.10 -0.97 0.04 0.00 -0.99 -4.57 120.51 114.61 2aqe n ALA 65 Ca 0.14 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2aqe n ALA 65 Cb 0.48 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.71 2.35 0.00 0.00 7.94 0.65 -5.00 117.00 122.22 2aqe n LEU 66 Ca 0.12 0.01 -0.03 0.00 -1.11 0.00 0.00 56.01 55.00 2aqe n LEU 66 Cb 0.35 -0.02 0.02 0.00 0.53 0.00 0.00 43.42 44.30 2aqe n LEU 66 CO 0.26 -0.02 0.07 2.30 -1.11 0.00 0.00 177.39 178.90 2aqe n ILE 67 N -0.73 0.00 -2.13 1.96 -5.35 -1.20 -4.96 119.36 106.95 2aqe n ILE 67 Ca 0.00 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 2aqe n ILE 67 Cb 0.00 -1.39 0.00 0.00 -1.74 0.00 0.00 39.64 36.51 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 -1.24 0.00 0.00 6.28 4.76 -1.26 -4.77 118.16 121.93 2aqe n LYS 68 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 2aqe n LYS 68 Cb 0.07 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.26 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 0.00 0.00 -0.67 -0.18 -0.00 -1.26 -5.04 119.36 112.20 2aqe n ILE 69 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2aqe n ILE 69 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 2aqe n ILE 69 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2aqe n ASP 70 N -0.89 0.00 -0.06 7.28 2.03 -1.26 -5.00 116.55 118.65 2aqe n ASP 70 Ca 0.00 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.21 2aqe n ASP 70 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 2aqe n ASP 70 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 2aqe n VAL 71 N 0.00 0.63 0.26 5.18 3.14 -1.26 -4.46 118.33 121.82 2aqe n VAL 71 Ca 0.00 -0.21 0.10 0.00 -2.96 0.00 0.00 64.34 61.27 2aqe n VAL 71 Cb 0.00 -1.22 0.68 0.00 -1.06 0.00 0.00 33.84 32.24 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 -0.18 0.00 0.54 6.55 2.35 -1.98 0.44 115.58 123.30 2aqe h ASN 72 Ca -0.27 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.46 2aqe h ASN 72 Cb 1.33 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.70 2aqe h ASN 72 CO -0.10 0.10 -0.26 0.11 -1.65 0.00 0.00 177.43 175.64 2aqe h LYS 73 N 0.00 -0.70 -0.17 0.81 6.56 -2.00 -2.62 116.57 118.45 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 0.22 0.16 -0.00 0.00 -0.57 0.00 0.00 32.23 32.04 2aqe h LYS 73 CO 0.01 -0.42 -0.12 1.15 -2.06 0.00 0.00 179.45 178.01 2aqe h THR 74 N -1.12 1.33 -1.13 -0.16 2.02 -1.75 -2.82 112.91 109.27 2aqe h THR 74 Ca -0.07 -1.23 0.32 0.00 0.77 0.00 0.00 66.41 66.19 2aqe h THR 74 Cb 0.61 1.76 -0.09 0.00 -1.74 0.00 0.00 68.15 68.68 2aqe h THR 74 CO 0.12 0.37 0.74 -0.09 0.37 0.00 0.00 175.52 177.03 2aqe h ARG 75 N 0.05 0.25 0.11 6.66 2.43 -0.20 0.43 114.38 124.11 2aqe h ARG 75 Ca 0.03 -0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 58.96 2aqe h ARG 75 Cb 0.63 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2aqe h ARG 75 CO 0.03 0.17 -1.15 0.87 -1.51 0.00 0.00 179.97 178.38 2aqe h LYS 76 N 0.26 0.23 0.07 0.20 1.57 -1.38 -2.27 116.57 115.25 2aqe h LYS 76 Ca 0.64 -0.39 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2aqe h LYS 76 Cb 1.87 0.15 0.00 0.00 0.08 0.00 0.00 32.23 34.33 2aqe h LYS 76 CO -0.27 1.19 -0.03 0.82 -0.57 0.00 0.00 179.45 180.58 2aqe h ILE 77 N -0.41 1.14 -0.53 1.86 2.04 -1.04 -2.76 117.51 117.82 2aqe h ILE 77 Ca -0.24 -0.77 -0.05 0.00 1.00 0.00 0.00 64.86 64.80 2aqe h ILE 77 Cb 1.65 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 39.35 2aqe h ILE 77 CO 0.06 0.19 0.12 0.22 0.00 0.00 0.00 178.15 178.74 2aqe h TYR 78 N -0.44 0.89 -0.88 1.37 5.03 -0.36 -2.60 116.97 119.98 2aqe h TYR 78 Ca -0.01 -0.11 0.13 0.00 2.58 0.00 0.00 58.73 61.32 2aqe h TYR 78 Cb 0.38 -0.25 -0.09 0.00 1.55 0.00 0.00 36.73 38.33 2aqe h TYR 78 CO 0.04 0.78 0.49 0.22 -1.32 0.00 0.00 178.16 178.38 2aqe h ASP 79 N 0.74 0.66 0.87 -2.11 1.82 -1.41 0.30 116.42 117.28 2aqe h ASP 79 Ca 0.16 0.07 -0.04 0.00 -0.39 0.00 0.00 57.03 56.83 2aqe h ASP 79 Cb 0.35 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.31 2aqe h ASP 79 CO 0.00 0.33 -0.47 0.15 -1.61 0.00 0.00 179.24 177.64 2aqe h PHE 80 N 0.75 -1.24 -0.73 0.28 3.57 -1.16 0.35 116.94 118.76 2aqe h PHE 80 Ca 0.45 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.97 2aqe h PHE 80 Cb 0.54 0.43 -0.05 0.00 2.79 0.00 0.00 35.95 39.67 2aqe h PHE 80 CO -0.06 -0.73 0.46 -0.07 -2.23 0.00 0.00 178.31 175.68 2aqe h LEU 81 N -1.24 0.75 0.00 0.59 3.38 -1.21 0.08 115.31 117.67 2aqe h LEU 81 Ca -0.12 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2aqe h LEU 81 Cb 0.97 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2aqe h LEU 81 CO 0.16 0.52 0.00 -0.38 0.09 0.00 0.00 178.44 178.83 2aqe n ILE 82 N -4.65 0.00 -0.12 1.22 2.08 0.99 -2.57 119.36 116.32 2aqe n ILE 82 Ca 0.08 1.35 0.27 0.00 0.56 0.00 0.00 62.75 65.01 2aqe n ILE 82 Cb 0.09 -2.33 0.72 0.00 -0.75 0.00 0.00 39.64 37.36 2aqe n ILE 82 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2aqe h ARG 83 N 0.00 0.00 0.00 0.38 -0.00 -0.96 -3.41 114.38 110.39 2aqe h ARG 83 Ca 0.00 0.00 -0.23 0.00 -0.50 0.00 0.00 59.98 59.25 2aqe h ARG 83 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 29.97 30.02 2aqe h ARG 83 CO 0.00 0.00 0.09 0.39 0.00 0.00 0.00 179.97 180.45 2aqe n GLU 84 N -4.01 0.09 -1.87 0.04 -0.58 0.01 -4.97 120.64 109.35 2aqe n GLU 84 Ca 0.16 -1.34 -0.36 0.00 -0.42 0.00 0.00 57.16 55.20 2aqe n GLU 84 Cb 0.93 -0.40 -0.02 0.00 -0.57 0.00 0.00 31.44 31.38 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 0.97 5.00 0.52 0.62 0.00 -1.26 -4.35 105.19 106.69 2aqe n GLY 85 Ca 0.08 -2.03 -0.05 0.00 0.00 0.00 0.00 46.02 44.03 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 1.37 0.00 -3.20 1.61 4.02 -1.06 -5.10 117.16 114.79 2aqe n TYR 86 Ca 0.58 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.47 2aqe n TYR 86 Cb 0.34 -0.18 0.00 0.00 -0.02 0.00 0.00 39.34 39.47 2aqe n TYR 86 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 2aqe n ILE 87 N -3.00 0.00 -3.88 -0.72 -5.35 -1.09 -4.93 119.36 100.38 2aqe n ILE 87 Ca -0.09 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.29 2aqe n ILE 87 Cb 0.58 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 38.39 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 -1.41 0.12 -0.38 7.28 -4.23 -1.26 -4.67 115.64 111.09 2aqe s THR 88 Ca 0.00 -1.02 -0.10 0.00 -1.18 0.00 0.00 61.69 59.39 2aqe s THR 88 Cb 0.00 -0.97 0.04 0.00 1.34 0.00 0.00 72.50 72.92 2aqe s THR 88 CO 0.00 -0.56 0.20 -0.75 -0.54 0.00 0.00 174.62 172.97 2aqe s LYS 89 N -2.76 2.72 0.00 3.99 2.20 -1.24 0.99 119.74 125.64 2aqe s LYS 89 Ca -0.04 -1.21 0.27 0.00 -0.36 0.00 0.00 55.97 54.64 2aqe s LYS 89 Cb -0.00 -3.69 1.63 0.00 -1.51 0.00 0.00 37.83 34.25 2aqe s LYS 89 CO -0.05 -0.77 1.98 0.00 -0.36 0.00 0.00 175.35 176.15