#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 -1.48 0.00 1.61 2.88 -1.26 -4.89 113.62 110.48 2aqe n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2aqe n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2aqe n SER 2 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2aqe n ASN 3 N -3.37 -0.04 -4.50 -3.46 5.15 -1.26 -5.00 115.26 102.78 2aqe n ASN 3 Ca 0.00 0.01 -0.43 0.00 -0.60 0.00 0.00 54.58 53.56 2aqe n ASN 3 Cb 0.00 0.43 0.00 0.00 -0.53 0.00 0.00 39.78 39.68 2aqe n ASN 3 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2aqe n SER 4 N -2.51 5.06 -3.77 1.20 7.64 -1.26 -4.88 113.62 115.10 2aqe n SER 4 Ca 0.00 -2.95 -0.30 0.00 1.01 0.00 0.00 58.87 56.63 2aqe n SER 4 Cb 0.00 -1.66 -0.15 0.00 -1.01 0.00 0.00 64.21 61.39 2aqe n SER 4 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2aqe s GLY 5 N 3.50 1.26 0.00 0.23 0.00 -1.26 -4.48 107.32 106.57 2aqe s GLY 5 Ca 0.49 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 43.31 2aqe s GLY 5 CO 0.04 1.52 0.00 -2.13 0.00 0.00 0.00 173.10 172.53 2aqe n ARG 6 N 4.61 0.00 -0.89 2.90 0.63 -1.26 -5.13 116.66 117.52 2aqe n ARG 6 Ca 0.00 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.05 2aqe n ARG 6 Cb 0.41 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.29 2aqe n ARG 6 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2aqe n ARG 7 N 0.00 -1.79 0.11 -0.14 1.74 -1.26 -4.99 116.66 110.33 2aqe n ARG 7 Ca 0.00 1.18 0.00 0.00 -0.77 0.00 0.00 57.85 58.26 2aqe n ARG 7 Cb 0.00 -2.18 0.00 0.00 -1.02 0.00 0.00 32.46 29.26 2aqe n ARG 7 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2aqe n SER 8 N -4.29 -1.96 -1.16 0.55 2.88 -1.26 -5.16 113.62 103.21 2aqe n SER 8 Ca 0.01 0.50 0.14 0.00 -1.33 0.00 0.00 58.87 58.19 2aqe n SER 8 Cb 0.40 2.04 -0.05 0.00 -0.75 0.00 0.00 64.21 65.86 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 -2.97 -3.35 -1.68 -1.46 0.00 -1.26 -4.40 120.51 105.39 2aqe n ALA 9 Ca 0.00 0.45 -0.43 0.00 0.00 0.00 0.00 53.44 53.46 2aqe n ALA 9 Cb 0.00 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 2aqe n ALA 9 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2aqe s PRO 10 N -2.63 3.28 0.14 0.00 0.04 -1.26 -4.96 135.00 129.61 2aqe s PRO 10 Ca 0.00 2.01 -0.01 0.00 0.04 0.00 0.00 61.00 63.03 2aqe s PRO 10 Cb 0.00 -4.32 0.03 0.00 0.04 0.00 0.00 34.50 30.25 2aqe s PRO 10 CO 0.00 -1.93 0.19 -0.35 0.04 0.00 0.00 177.00 174.95 2aqe n PRO 11 N 8.56 0.15 0.00 0.56 -0.04 -1.26 -5.00 135.00 137.97 2aqe n PRO 11 Ca 0.28 -0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2aqe n PRO 11 Cb 0.45 -0.17 0.00 0.00 -0.04 0.00 0.00 33.50 33.74 2aqe n PRO 11 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2aqe n LEU 12 N 0.00 0.00 0.00 1.53 4.32 -1.26 -5.01 117.00 116.58 2aqe n LEU 12 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.02 2aqe n LEU 12 Cb 0.10 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.90 2aqe n LEU 12 CO 0.07 0.00 0.16 -0.46 -1.22 0.00 0.00 177.39 175.94 2aqe n ASN 13 N -0.93 0.31 0.00 -1.43 6.94 -1.26 -4.77 115.26 114.11 2aqe n ASN 13 Ca 0.00 -1.09 0.10 0.00 -0.02 0.00 0.00 54.58 53.57 2aqe n ASN 13 Cb 0.00 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.35 2aqe n ASN 13 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2aqe n LEU 14 N -0.05 0.92 -4.81 -4.53 7.94 -1.26 -4.79 117.00 110.42 2aqe n LEU 14 Ca 0.00 -0.42 -0.34 0.00 -1.11 0.00 0.00 56.01 54.14 2aqe n LEU 14 Cb 0.31 -0.04 -0.07 0.00 0.53 0.00 0.00 43.42 44.15 2aqe n LEU 14 CO 0.00 0.23 0.65 0.28 -1.11 0.00 0.00 177.39 177.44 2aqe s THR 15 N -3.01 4.35 -0.82 1.96 -1.32 -1.26 -3.65 115.64 111.90 2aqe s THR 15 Ca 0.08 1.53 0.00 0.00 -1.21 0.00 0.00 61.69 62.09 2aqe s THR 15 Cb 0.16 -3.65 0.00 0.00 -1.51 0.00 0.00 72.50 67.50 2aqe s THR 15 CO 0.85 -0.25 0.00 0.61 -2.21 0.00 0.00 174.62 173.61 2aqe n GLY 16 N -0.46 0.28 3.44 6.08 0.00 -1.26 -5.02 105.19 108.25 2aqe n GLY 16 Ca 0.06 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.46 2.36 0.00 0.99 1.43 -1.24 -5.08 118.68 114.68 2aqe s LEU 17 Ca 0.00 -1.28 0.00 0.00 -1.03 0.00 0.00 54.13 51.82 2aqe s LEU 17 Cb 0.00 -0.51 0.00 0.00 0.03 0.00 0.00 46.19 45.71 2aqe s LEU 17 CO 0.00 -0.48 0.45 -0.81 0.23 0.00 0.00 176.35 175.74 2aqe n PRO 18 N -0.64 0.00 0.13 1.29 -0.04 -1.26 -3.06 135.00 131.42 2aqe n PRO 18 Ca -0.04 0.03 0.17 0.00 -0.04 0.00 0.00 63.50 63.62 2aqe n PRO 18 Cb 0.65 -0.95 0.55 0.00 -0.04 0.00 0.00 33.50 33.71 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 -0.99 0.55 0.00 -1.94 -2.40 103.07 98.29 2aqe h GLY 19 Ca 0.00 0.00 0.41 0.00 0.00 0.00 0.00 47.33 47.74 2aqe h GLY 19 CO 0.00 0.00 0.71 -0.84 0.00 0.00 0.00 176.54 176.41 2aqe h THR 20 N 0.00 0.11 0.00 4.70 2.02 -1.78 1.33 112.91 119.29 2aqe h THR 20 Ca 0.18 -0.03 -0.11 0.00 0.77 0.00 0.00 66.41 67.22 2aqe h THR 20 Cb 1.60 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 2aqe h THR 20 CO -0.00 0.02 -1.10 -0.08 0.37 0.00 0.00 175.52 174.73 2aqe h GLU 21 N 0.10 0.00 0.00 6.66 4.57 -1.61 -3.29 114.58 121.01 2aqe h GLU 21 Ca 0.82 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.97 2aqe h GLU 21 Cb 2.33 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.91 2aqe h GLU 21 CO -0.57 0.24 -0.13 0.87 -1.18 0.00 0.00 179.01 178.24 2aqe h LYS 22 N 0.00 0.00 -6.24 1.92 1.57 0.15 -3.44 116.57 110.53 2aqe h LYS 22 Ca -0.09 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.13 2aqe h LYS 22 Cb 1.38 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.67 2aqe h LYS 22 CO 0.04 0.13 1.06 -0.51 -0.57 0.00 0.00 179.45 179.60 2aqe s LEU 23 N -6.40 4.18 1.02 2.94 1.43 0.30 -4.96 118.68 117.19 2aqe s LEU 23 Ca 0.03 1.97 -0.16 0.00 -1.03 0.00 0.00 54.13 54.93 2aqe s LEU 23 Cb 0.08 -3.53 0.03 0.00 0.03 0.00 0.00 46.19 42.80 2aqe s LEU 23 CO 0.63 -0.98 0.03 0.59 0.23 0.00 0.00 176.35 176.85 2aqe n ASN 24 N 7.38 -2.60 -0.30 2.29 3.02 -1.26 -3.76 115.26 120.04 2aqe n ASN 24 Ca 0.17 0.12 0.24 0.00 -0.03 0.00 0.00 54.58 55.08 2aqe n ASN 24 Cb 0.44 -1.03 0.54 0.00 -0.61 0.00 0.00 39.78 39.12 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 -1.68 0.33 0.23 3.52 5.08 -1.93 0.87 114.58 120.99 2aqe h GLU 25 Ca -0.47 -0.02 -0.33 0.00 -1.00 0.00 0.00 59.36 57.54 2aqe h GLU 25 Cb 1.32 -0.07 0.03 0.00 0.50 0.00 0.00 28.75 30.53 2aqe h GLU 25 CO 0.34 0.22 -1.49 0.87 -1.00 0.00 0.00 179.01 177.96 2aqe h LYS 26 N 0.34 0.48 -0.27 2.33 1.57 -1.97 -3.31 116.57 115.74 2aqe h LYS 26 Ca 0.56 -0.82 -0.10 0.00 -1.87 0.00 0.00 60.65 58.43 2aqe h LYS 26 Cb 1.53 0.30 -0.01 0.00 0.08 0.00 0.00 32.23 34.13 2aqe h LYS 26 CO -0.23 1.39 -0.25 0.93 -0.57 0.00 0.00 179.45 180.72 2aqe h GLU 27 N 0.07 0.52 0.03 3.15 5.08 -1.21 -2.15 114.58 120.07 2aqe h GLU 27 Ca -0.27 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 57.92 2aqe h GLU 27 Cb 2.09 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 31.26 2aqe h GLU 27 CO 0.23 0.73 -0.36 0.87 -1.00 0.00 0.00 179.01 179.48 2aqe h LYS 28 N 0.45 -0.51 -0.33 2.33 1.57 0.56 -1.88 116.57 118.76 2aqe h LYS 28 Ca 0.07 0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 2aqe h LYS 28 Cb 0.68 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 2aqe h LYS 28 CO 0.05 -0.34 -0.17 0.93 -0.57 0.00 0.00 179.45 179.35 2aqe h GLU 29 N -0.53 0.60 -0.97 3.15 5.08 -1.63 -2.68 114.58 117.60 2aqe h GLU 29 Ca 0.05 -0.21 0.20 0.00 -1.00 0.00 0.00 59.36 58.40 2aqe h GLU 29 Cb 0.60 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.71 2aqe h GLU 29 CO -0.27 0.75 0.61 1.25 -1.00 0.00 0.00 179.01 180.35 2aqe h LEU 30 N 0.54 0.65 0.14 1.33 5.85 -0.67 0.25 115.31 123.40 2aqe h LEU 30 Ca 0.09 0.07 -0.30 0.00 0.84 0.00 0.00 57.88 58.59 2aqe h LEU 30 Cb 0.60 -0.04 0.02 0.00 0.37 0.00 0.00 40.66 41.61 2aqe h LEU 30 CO 0.04 0.24 -1.30 0.00 -0.34 0.00 0.00 178.44 177.09 2aqe h GLN 32 N 0.17 0.00 0.00 0.00 4.20 -0.70 -2.91 115.11 115.87 2aqe h GLN 32 Ca -0.18 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.50 2aqe h GLN 32 Cb 1.99 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.77 2aqe h GLN 32 CO 0.23 0.01 -0.43 0.28 -0.67 0.00 0.00 178.83 178.25 2aqe h VAL 33 N 0.00 0.15 -2.16 -0.54 2.07 -1.09 -3.40 116.25 111.28 2aqe h VAL 33 Ca -0.00 -1.16 -0.72 0.00 0.82 0.00 0.00 66.70 65.64 2aqe h VAL 33 Cb 0.11 0.32 -0.17 0.00 -1.52 0.00 0.00 31.29 30.03 2aqe h VAL 33 CO 0.00 0.05 1.27 0.68 0.02 0.00 0.00 177.57 179.59 2aqe s VAL 34 N -2.08 4.91 -0.49 2.57 -7.23 -1.01 -4.93 120.40 112.13 2aqe s VAL 34 Ca -0.12 -2.34 -0.10 0.00 -1.81 0.00 0.00 61.98 57.61 2aqe s VAL 34 Cb 0.02 -4.90 -0.14 0.00 0.56 0.00 0.00 36.38 31.92 2aqe s VAL 34 CO 0.21 -1.62 1.20 -1.14 -0.31 0.00 0.00 175.10 173.44 2aqe n ARG 35 N 6.01 0.00 -4.20 4.82 0.63 -1.11 -4.68 116.66 118.13 2aqe n ARG 35 Ca 0.34 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 57.15 2aqe n ARG 35 Cb 0.44 -0.62 -0.10 0.00 0.45 0.00 0.00 32.46 32.64 2aqe n ARG 35 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 2aqe s LEU 36 N 2.18 1.66 0.33 6.15 2.96 -1.22 -5.00 118.68 125.74 2aqe s LEU 36 Ca 0.66 -1.27 -0.04 0.00 -0.22 0.00 0.00 54.13 53.26 2aqe s LEU 36 Cb -0.52 0.22 -0.05 0.00 0.50 0.00 0.00 46.19 46.34 2aqe s LEU 36 CO 0.26 -0.73 0.59 -0.69 -1.32 0.00 0.00 176.35 174.47 2aqe s VAL 37 N -3.97 5.01 0.00 1.68 1.01 -1.26 -4.04 120.40 118.83 2aqe s VAL 37 Ca 0.30 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2aqe s VAL 37 Cb 0.07 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.68 2aqe s VAL 37 CO 0.06 -0.43 0.48 -2.65 0.00 0.00 0.00 175.10 172.56 2aqe n PRO 38 N -1.25 0.00 -0.21 2.72 -0.02 -1.26 -1.21 135.00 133.76 2aqe n PRO 38 Ca -0.02 0.49 0.21 0.00 -2.02 0.00 0.00 63.50 62.16 2aqe n PRO 38 Cb 0.54 -1.23 0.56 0.00 -0.02 0.00 0.00 33.50 33.35 2aqe n PRO 38 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2aqe h GLY 39 N 0.00 0.65 1.24 -1.23 0.00 -1.93 0.63 103.07 102.43 2aqe h GLY 39 Ca 0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 2aqe h GLY 39 CO 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.52 2aqe h ALA 40 N 1.61 0.97 -0.14 3.60 0.00 -1.97 -2.18 119.26 121.14 2aqe h ALA 40 Ca 0.45 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2aqe h ALA 40 Cb 1.26 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2aqe h ALA 40 CO -0.13 0.62 -0.10 -0.92 0.00 0.00 0.00 179.25 178.72 2aqe h TYR 41 N 0.84 0.38 -0.75 0.00 5.03 0.16 -1.86 116.97 120.77 2aqe h TYR 41 Ca 0.15 -0.10 0.17 0.00 2.58 0.00 0.00 58.73 61.53 2aqe h TYR 41 Cb 0.52 -0.08 -0.05 0.00 1.55 0.00 0.00 36.73 38.67 2aqe h TYR 41 CO 0.03 0.68 0.51 -0.07 -1.32 0.00 0.00 178.16 177.99 2aqe h LEU 42 N -0.03 0.28 0.47 2.82 3.38 -0.82 0.16 115.31 121.57 2aqe h LEU 42 Ca 0.03 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2aqe h LEU 42 Cb 0.60 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2aqe h LEU 42 CO 0.03 0.14 -0.23 -0.33 0.09 0.00 0.00 178.44 178.14 2aqe h GLU 43 N 0.29 -0.61 -0.15 1.13 4.39 -1.10 -0.86 114.58 117.68 2aqe h GLU 43 Ca 0.37 0.04 0.03 0.00 0.34 0.00 0.00 59.36 60.14 2aqe h GLU 43 Cb 1.02 0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 29.75 2aqe h GLU 43 CO -0.10 -0.41 -0.45 1.88 -1.16 0.00 0.00 179.01 178.77 2aqe h TYR 44 N -1.13 -1.36 -0.89 4.33 0.05 -0.66 0.10 116.97 117.40 2aqe h TYR 44 Ca -0.06 0.05 0.20 0.00 0.05 0.00 0.00 58.73 58.97 2aqe h TYR 44 Cb 0.48 0.61 -0.12 0.00 1.01 0.00 0.00 36.73 38.72 2aqe h TYR 44 CO 0.00 -0.45 0.43 -0.22 -1.05 0.00 0.00 178.16 176.87 2aqe h LYS 45 N -0.46 0.47 -0.52 4.88 3.11 -0.82 0.13 116.57 123.36 2aqe h LYS 45 Ca 0.03 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2aqe h LYS 45 Cb 0.55 -0.11 -0.03 0.00 -1.00 0.00 0.00 32.23 31.65 2aqe h LYS 45 CO -0.39 0.31 0.33 0.77 -2.81 0.00 0.00 179.45 177.66 2aqe h SER 46 N 0.48 0.61 -0.25 4.20 0.02 0.60 -1.11 113.55 118.10 2aqe h SER 46 Ca 0.54 -0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.52 2aqe h SER 46 Cb 0.96 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 2aqe h SER 46 CO -0.48 0.46 0.18 0.00 -1.14 0.00 0.00 176.83 175.86 2aqe h ALA 47 N 1.17 2.17 0.43 3.77 0.00 0.15 -2.40 119.26 124.53 2aqe h ALA 47 Ca 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2aqe h ALA 47 Cb -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2aqe h ALA 47 CO -0.04 -0.23 -0.20 -0.07 0.00 0.00 0.00 179.25 178.71 2aqe h LEU 48 N 0.06 -0.48 -1.75 0.00 3.38 -0.63 -2.23 115.31 113.65 2aqe h LEU 48 Ca 0.12 0.02 0.23 0.00 0.09 0.00 0.00 57.88 58.33 2aqe h LEU 48 Cb 0.40 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 2aqe h LEU 48 CO -0.01 -0.12 0.76 0.25 0.09 0.00 0.00 178.44 179.41 2aqe h LEU 49 N -1.02 0.00 0.09 1.67 7.12 -1.21 0.44 115.31 122.39 2aqe h LEU 49 Ca -0.06 0.00 -0.27 0.00 0.13 0.00 0.00 57.88 57.68 2aqe h LEU 49 Cb 0.44 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.56 2aqe h LEU 49 CO 0.10 0.00 -1.32 -1.13 -0.13 0.00 0.00 178.44 175.96 2aqe h ASN 50 N 0.00 0.29 0.49 1.25 -1.24 -1.35 -2.42 115.58 112.60 2aqe h ASN 50 Ca 0.38 -0.35 -0.29 0.00 0.71 0.00 0.00 56.30 56.74 2aqe h ASN 50 Cb 1.89 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 40.81 2aqe h ASN 50 CO -0.00 1.28 -1.68 -0.08 -1.29 0.00 0.00 177.43 175.65 2aqe h GLU 51 N 0.05 0.03 -0.15 6.67 4.57 0.05 -2.83 114.58 122.96 2aqe h GLU 51 Ca -0.15 -0.05 -0.16 0.00 -1.18 0.00 0.00 59.36 57.81 2aqe h GLU 51 Cb 1.95 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.55 2aqe h GLU 51 CO 0.16 0.61 -0.58 0.00 -1.18 0.00 0.00 179.01 178.02 2aqe h HIS 53 N 0.37 -0.03 -0.55 0.00 -0.00 -1.55 0.65 115.15 114.05 2aqe h HIS 53 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2aqe h HIS 53 Cb 1.12 0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 28.51 2aqe h HIS 53 CO 0.04 0.69 0.34 -0.22 -0.00 0.00 0.00 177.93 178.78 2aqe h LYS 54 N -0.80 0.73 0.00 5.26 1.63 -1.56 -2.08 116.57 119.75 2aqe h LYS 54 Ca -0.00 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2aqe h LYS 54 Cb 0.72 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 2aqe h LYS 54 CO 0.00 0.50 -0.96 1.04 -3.45 0.00 0.00 179.45 176.58 2aqe n GLN 55 N -4.44 0.53 0.00 1.90 1.13 -0.58 -5.01 117.38 110.91 2aqe n GLN 55 Ca 0.05 0.10 0.00 0.00 -1.94 0.00 0.00 57.00 55.21 2aqe n GLN 55 Cb 0.06 -1.78 0.00 0.00 0.11 0.00 0.00 30.24 28.63 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 1.22 1.45 3.67 1.08 0.00 0.23 -4.88 105.19 107.96 2aqe n GLY 56 Ca 0.01 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.26 -0.02 0.00 -1.25 -4.39 107.32 103.38 2aqe s GLY 57 Ca 0.00 -0.76 0.02 0.00 0.00 0.00 0.00 44.72 43.98 2aqe s GLY 57 CO 0.00 0.16 -0.10 -2.27 0.00 0.00 0.00 173.10 170.89 2aqe s LEU 58 N 0.51 3.39 0.00 0.66 1.98 0.97 -4.37 118.68 121.83 2aqe s LEU 58 Ca 0.06 -1.27 -0.14 0.00 -2.89 0.00 0.00 54.13 49.89 2aqe s LEU 58 Cb -0.12 -1.58 0.21 0.00 0.66 0.00 0.00 46.19 45.37 2aqe s LEU 58 CO 0.00 -0.18 0.48 0.54 -1.89 0.00 0.00 176.35 175.30 2aqe n ARG 59 N 4.50 -2.44 -0.10 1.98 5.12 -1.26 -3.83 116.66 120.63 2aqe n ARG 59 Ca -0.15 -0.81 -0.12 0.00 -1.93 0.00 0.00 57.85 54.84 2aqe n ARG 59 Cb 0.43 -1.30 -0.12 0.00 -1.16 0.00 0.00 32.46 30.31 2aqe n ARG 59 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2aqe n LEU 60 N 0.00 1.31 0.15 0.55 7.94 -1.26 -4.13 117.00 121.56 2aqe n LEU 60 Ca 0.08 -0.05 -0.14 0.00 -1.11 0.00 0.00 56.01 54.79 2aqe n LEU 60 Cb 0.34 -0.10 -0.08 0.00 0.53 0.00 0.00 43.42 44.10 2aqe n LEU 60 CO 0.22 0.63 0.62 0.00 -1.11 0.00 0.00 177.39 177.74 2aqe h ALA 61 N 0.48 -0.38 -0.68 1.96 0.00 -2.00 -2.40 119.26 116.24 2aqe h ALA 61 Ca -0.49 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 54.43 2aqe h ALA 61 Cb 1.94 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.85 2aqe h ALA 61 CO -0.02 -0.59 0.47 1.96 0.00 0.00 0.00 179.25 181.08 2aqe h GLN 62 N -0.64 0.16 -0.50 0.00 7.50 -1.97 0.16 115.11 119.82 2aqe h GLN 62 Ca -0.04 -0.01 -0.10 0.00 0.50 0.00 0.00 58.65 59.00 2aqe h GLN 62 Cb 0.45 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 27.93 2aqe h GLN 62 CO 0.06 0.11 -0.08 0.00 -1.50 0.00 0.00 178.83 177.43 2aqe h ALA 63 N 1.67 0.93 -0.13 3.87 0.00 -1.63 0.63 119.26 124.59 2aqe h ALA 63 Ca 0.33 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2aqe h ALA 63 Cb 1.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2aqe h ALA 63 CO -0.05 0.63 -0.14 0.00 0.00 0.00 0.00 179.25 179.69 2aqe h ARG 64 N 0.81 0.21 -0.01 0.00 -0.00 -0.20 -0.10 114.38 115.10 2aqe h ARG 64 Ca 0.14 -0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.57 2aqe h ARG 64 Cb 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.53 2aqe h ARG 64 CO 0.04 0.35 -0.20 0.00 0.00 0.00 0.00 179.97 180.16 2aqe n ALA 65 N -2.49 2.96 -0.38 0.04 0.00 -0.91 -4.39 120.51 115.33 2aqe n ALA 65 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2aqe n ALA 65 Cb 0.26 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 -0.64 0.52 0.00 0.00 0.00 0.17 -5.02 117.00 112.02 2aqe n LEU 66 Ca 0.13 0.14 0.00 0.00 0.00 0.00 0.00 56.01 56.28 2aqe n LEU 66 Cb 0.33 -0.31 0.00 0.00 0.00 0.00 0.00 43.42 43.44 2aqe n LEU 66 CO 0.24 -0.31 0.00 2.30 0.00 0.00 0.00 177.39 179.63 2aqe n ILE 67 N -1.81 0.00 -2.77 1.96 -5.35 -0.98 -4.96 119.36 105.46 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 -1.43 0.00 0.00 -1.74 0.00 0.00 39.64 36.47 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 -0.76 0.00 0.00 6.28 4.76 -1.26 -4.61 118.16 122.57 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 0.00 0.00 0.00 -0.18 -6.64 -1.26 -5.05 119.36 106.23 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 1.99 0.00 0.00 -1.44 0.00 0.00 39.64 40.19 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 0.12 7.28 8.00 -1.26 -5.09 116.55 125.60 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 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 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 0.31 2.53 0.24 -1.26 -4.53 118.33 115.62 2aqe n VAL 71 Ca 0.00 0.00 0.17 0.00 -2.04 0.00 0.00 64.34 62.47 2aqe n VAL 71 Cb 0.00 0.00 1.00 0.00 -1.47 0.00 0.00 33.84 33.37 2aqe n VAL 71 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 2aqe h ASN 72 N 0.00 0.00 0.67 -1.34 4.21 -1.97 0.57 115.58 117.71 2aqe h ASN 72 Ca 0.00 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.48 2aqe h ASN 72 Cb 0.00 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.21 2aqe h ASN 72 CO 0.00 0.00 -0.32 0.11 -1.29 0.00 0.00 177.43 175.93 2aqe h LYS 73 N 0.00 -0.86 -0.14 0.81 6.56 -1.97 -2.75 116.57 118.22 2aqe h LYS 73 Ca -0.00 0.06 -0.04 0.00 -1.06 0.00 0.00 60.65 59.60 2aqe h LYS 73 Cb 0.01 0.20 -0.01 0.00 -0.57 0.00 0.00 32.23 31.86 2aqe h LYS 73 CO 0.00 -0.58 -0.12 1.15 -2.06 0.00 0.00 179.45 177.85 2aqe h THR 74 N -1.18 1.16 -0.48 -0.16 2.02 -1.79 -2.87 112.91 109.61 2aqe h THR 74 Ca -0.09 -0.72 0.09 0.00 0.77 0.00 0.00 66.41 66.46 2aqe h THR 74 Cb 0.69 1.19 -0.10 0.00 -1.74 0.00 0.00 68.15 68.19 2aqe h THR 74 CO 0.15 0.22 -0.29 -0.09 0.37 0.00 0.00 175.52 175.88 2aqe h ARG 75 N 0.20 -0.17 0.18 6.66 1.12 0.29 0.52 114.38 123.18 2aqe h ARG 75 Ca 0.04 0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 58.92 2aqe h ARG 75 Cb 0.34 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.34 2aqe h ARG 75 CO 0.02 -0.12 -0.09 0.87 -3.11 0.00 0.00 179.97 177.55 2aqe h LYS 76 N -0.18 -0.23 0.15 0.20 1.57 -1.28 0.15 116.57 116.94 2aqe h LYS 76 Ca 0.21 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2aqe h LYS 76 Cb 0.52 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 2aqe h LYS 76 CO -0.58 0.09 -0.24 0.82 -0.57 0.00 0.00 179.45 178.97 2aqe h ILE 77 N -0.58 0.00 -0.28 1.86 2.04 -1.21 -2.54 117.51 116.80 2aqe h ILE 77 Ca -0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.88 2aqe h ILE 77 Cb 0.43 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.47 2aqe h ILE 77 CO 0.04 0.00 0.01 0.22 0.00 0.00 0.00 178.15 178.42 2aqe h TYR 78 N -0.41 0.01 -1.11 1.37 3.20 -0.07 -1.92 116.97 118.03 2aqe h TYR 78 Ca -0.02 0.02 0.31 0.00 3.14 0.00 0.00 58.73 62.18 2aqe h TYR 78 Cb 0.38 0.04 -0.09 0.00 1.54 0.00 0.00 36.73 38.60 2aqe h TYR 78 CO -0.26 -0.03 0.74 0.22 -1.64 0.00 0.00 178.16 177.19 2aqe h ASP 79 N 0.10 0.32 -0.08 -2.11 1.82 -0.55 0.44 116.42 116.36 2aqe h ASP 79 Ca 0.14 0.07 -0.07 0.00 -0.39 0.00 0.00 57.03 56.78 2aqe h ASP 79 Cb 0.17 0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.21 2aqe h ASP 79 CO -0.22 0.03 -0.21 0.15 -1.61 0.00 0.00 179.24 177.38 2aqe h PHE 80 N 0.26 0.36 -0.61 0.28 3.57 -0.92 -2.27 116.94 117.60 2aqe h PHE 80 Ca 0.62 -0.14 -0.04 0.00 3.53 0.00 0.00 57.97 61.94 2aqe h PHE 80 Cb 1.83 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 40.48 2aqe h PHE 80 CO -0.00 0.82 0.21 -0.07 -2.23 0.00 0.00 178.31 177.04 2aqe h LEU 81 N -0.20 0.88 0.36 0.59 3.38 -0.39 -1.41 115.31 118.52 2aqe h LEU 81 Ca -0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 2aqe h LEU 81 Cb 0.82 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2aqe h LEU 81 CO 0.04 0.84 -0.17 0.40 0.09 0.00 0.00 178.44 179.64 2aqe h ILE 82 N 0.87 0.00 0.00 1.22 1.08 -0.33 -1.75 117.51 118.60 2aqe h ILE 82 Ca 0.20 -0.07 -0.00 0.00 -0.39 0.00 0.00 64.86 64.60 2aqe h ILE 82 Cb 0.26 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.01 2aqe h ILE 82 CO -0.01 0.00 -0.01 0.03 -0.69 0.00 0.00 178.15 177.47 2aqe h ARG 83 N -0.55 0.00 0.00 2.37 -0.00 -1.48 -3.43 114.38 111.29 2aqe h ARG 83 Ca -0.05 0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.37 2aqe h ARG 83 Cb 0.37 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.35 2aqe h ARG 83 CO 0.08 0.01 0.02 0.39 0.00 0.00 0.00 179.97 180.47 2aqe n GLU 84 N -3.69 0.40 -1.95 0.04 -0.58 -0.53 -4.95 120.64 109.37 2aqe n GLU 84 Ca -0.03 -0.34 -0.39 0.00 -0.42 0.00 0.00 57.16 55.98 2aqe n GLU 84 Cb 0.09 -0.10 -0.01 0.00 -0.57 0.00 0.00 31.44 30.85 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 3.97 5.15 0.53 0.62 0.00 -1.26 -4.52 105.19 109.69 2aqe n GLY 85 Ca 0.02 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 1.72 0.00 -4.35 1.61 4.02 -1.16 -5.12 117.16 113.89 2aqe n TYR 86 Ca 0.62 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 58.24 2aqe n TYR 86 Cb 0.26 0.05 -0.08 0.00 -0.02 0.00 0.00 39.34 39.55 2aqe n TYR 86 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 2aqe s ILE 87 N -0.42 2.03 0.42 -0.72 -4.36 -0.67 -4.97 121.20 112.50 2aqe s ILE 87 Ca 0.00 -1.82 0.04 0.00 -0.26 0.00 0.00 60.65 58.61 2aqe s ILE 87 Cb 0.00 -2.85 -0.05 0.00 1.25 0.00 0.00 42.46 40.81 2aqe s ILE 87 CO 0.00 0.00 0.03 0.42 0.24 0.00 0.00 174.94 175.63 2aqe s THR 88 N -2.68 1.43 0.07 8.37 -4.23 -1.26 -4.10 115.64 113.24 2aqe s THR 88 Ca 0.34 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.90 2aqe s THR 88 Cb 0.05 -2.65 -0.04 0.00 1.34 0.00 0.00 72.50 71.20 2aqe s THR 88 CO 0.19 0.00 0.01 -0.75 -0.54 0.00 0.00 174.62 173.52 2aqe s LYS 89 N -3.79 2.62 0.00 3.99 2.20 -1.25 -0.02 119.74 123.48 2aqe s LYS 89 Ca 0.26 -0.79 0.00 0.00 -0.36 0.00 0.00 55.97 55.08 2aqe s LYS 89 Cb 0.07 -2.58 0.00 0.00 -1.51 0.00 0.00 37.83 33.81 2aqe s LYS 89 CO 0.13 0.56 0.00 0.00 -0.36 0.00 0.00 175.35 175.68