#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 1.33 -0.31 1.61 0.15 -1.26 -5.10 113.70 110.12 2aqe s SER 2 Ca 0.00 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.54 2aqe s SER 2 Cb 0.00 0.28 0.14 0.00 -1.71 0.00 0.00 66.02 64.72 2aqe s SER 2 CO 0.00 -0.31 0.30 0.54 1.20 0.00 0.00 173.24 174.97 2aqe s ASN 3 N 2.29 1.75 0.46 5.45 2.20 -1.26 -5.15 114.94 120.69 2aqe s ASN 3 Ca 0.05 -1.05 0.08 0.00 -0.94 0.00 0.00 52.86 51.01 2aqe s ASN 3 Cb -0.15 0.42 0.03 0.00 -2.00 0.00 0.00 41.25 39.55 2aqe s ASN 3 CO -0.10 -0.36 0.63 -0.94 -2.94 0.00 0.00 177.10 173.39 2aqe s SER 4 N 2.07 5.51 0.00 3.54 1.04 -1.26 -4.87 113.70 119.74 2aqe s SER 4 Ca 0.11 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.01 2aqe s SER 4 Cb -0.15 -0.41 0.00 0.00 0.10 0.00 0.00 66.02 65.56 2aqe s SER 4 CO -0.25 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.67 2aqe n GLY 5 N -1.95 1.48 1.57 7.32 0.00 -1.26 -4.94 105.19 107.40 2aqe n GLY 5 Ca 0.10 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2aqe n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aqe n ARG 6 N 0.00 0.00 -1.99 1.61 1.74 -1.26 -4.64 116.66 112.12 2aqe n ARG 6 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 2aqe n ARG 6 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 2aqe n ARG 6 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2aqe n ARG 7 N -2.17 -1.79 -3.91 5.56 3.00 -1.26 -4.83 116.66 111.26 2aqe n ARG 7 Ca 0.00 0.72 0.01 0.00 -0.01 0.00 0.00 57.85 58.57 2aqe n ARG 7 Cb 0.00 -5.18 0.01 0.00 0.00 0.00 0.00 32.46 27.29 2aqe n ARG 7 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2aqe s SER 8 N -2.08 -0.01 -0.09 0.55 0.15 -1.26 -5.15 113.70 105.81 2aqe s SER 8 Ca 0.00 -0.29 -0.02 0.00 0.70 0.00 0.00 55.95 56.34 2aqe s SER 8 Cb 0.00 0.22 0.03 0.00 -1.71 0.00 0.00 66.02 64.57 2aqe s SER 8 CO 0.00 -0.44 0.02 0.00 1.20 0.00 0.00 173.24 174.02 2aqe s ALA 9 N -2.13 0.65 0.19 5.45 0.00 -1.26 -5.12 121.76 119.54 2aqe s ALA 9 Ca 0.25 -0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.76 2aqe s ALA 9 Cb -0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 23.12 22.24 2aqe s ALA 9 CO 0.00 -0.58 1.35 -2.14 0.00 0.00 0.00 175.76 174.40 2aqe s PRO 10 N 2.00 4.35 -0.00 0.00 0.02 -1.26 -4.91 135.00 135.20 2aqe s PRO 10 Ca 0.04 2.10 0.10 0.00 0.02 0.00 0.00 61.00 63.26 2aqe s PRO 10 Cb -0.13 -3.19 0.28 0.00 0.02 0.00 0.00 34.50 31.48 2aqe s PRO 10 CO -0.05 -0.33 1.23 -0.35 -0.33 0.00 0.00 177.00 177.17 2aqe n PRO 11 N 2.92 1.75 -1.22 5.54 -0.04 -1.26 -4.62 135.00 138.07 2aqe n PRO 11 Ca 0.08 -1.15 0.00 0.00 -0.04 0.00 0.00 63.50 62.39 2aqe n PRO 11 Cb 0.42 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 0.43 0.00 -3.25 1.53 7.99 -1.26 -5.00 117.00 117.44 2aqe n LEU 12 Ca 0.11 0.00 -0.26 0.00 -0.01 0.00 0.00 56.01 55.85 2aqe n LEU 12 Cb 0.27 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.56 2aqe n LEU 12 CO 0.07 0.00 2.32 0.59 -1.51 0.00 0.00 177.39 178.86 2aqe n ASN 13 N -1.28 4.52 -0.39 -1.43 4.13 -1.26 -3.68 115.26 115.88 2aqe n ASN 13 Ca 0.00 -2.38 0.00 0.00 1.68 0.00 0.00 54.58 53.88 2aqe n ASN 13 Cb 0.00 -1.10 0.00 0.00 -1.54 0.00 0.00 39.78 37.14 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 4.75 0.00 -4.31 3.41 7.94 -1.26 -3.74 117.00 123.79 2aqe n LEU 14 Ca 0.45 -0.81 -0.30 0.00 -1.11 0.00 0.00 56.01 54.24 2aqe n LEU 14 Cb 0.18 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 43.97 2aqe n LEU 14 CO 0.76 0.35 -0.56 0.28 -1.11 0.00 0.00 177.39 177.10 2aqe s THR 15 N 0.00 2.02 -0.87 1.96 -1.32 -1.24 -4.61 115.64 111.58 2aqe s THR 15 Ca 0.00 -1.15 0.00 0.00 -1.21 0.00 0.00 61.69 59.33 2aqe s THR 15 Cb 0.00 -1.69 0.00 0.00 -1.51 0.00 0.00 72.50 69.30 2aqe s THR 15 CO 0.00 0.51 0.00 0.61 -2.21 0.00 0.00 174.62 173.53 2aqe n GLY 16 N 2.29 0.77 3.46 6.08 0.00 -1.26 -5.00 105.19 111.52 2aqe n GLY 16 Ca -0.16 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.09 1.94 0.10 0.99 1.43 -1.26 -5.14 118.68 114.64 2aqe s LEU 17 Ca 0.00 -1.61 -0.14 0.00 -1.03 0.00 0.00 54.13 51.35 2aqe s LEU 17 Cb 0.00 -0.05 -0.06 0.00 0.03 0.00 0.00 46.19 46.11 2aqe s LEU 17 CO 0.00 -0.88 0.50 -2.16 0.23 0.00 0.00 176.35 174.04 2aqe s PRO 18 N -3.75 3.95 0.00 1.29 0.04 -1.26 -4.24 135.00 131.04 2aqe s PRO 18 Ca 0.29 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.77 2aqe s PRO 18 Cb 0.04 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.56 2aqe s PRO 18 CO 0.16 0.54 0.00 0.41 0.04 0.00 0.00 177.00 178.15 2aqe n GLY 19 N 1.06 3.08 0.40 0.56 0.00 -1.26 -4.02 105.19 105.00 2aqe n GLY 19 Ca -0.08 -0.88 0.23 0.00 0.00 0.00 0.00 46.02 45.29 2aqe n GLY 19 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2aqe h THR 20 N 0.00 0.48 0.00 2.61 2.02 -1.84 0.67 112.91 116.85 2aqe h THR 20 Ca 0.00 -0.14 -0.15 0.00 0.77 0.00 0.00 66.41 66.90 2aqe h THR 20 Cb 0.00 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.43 2aqe h THR 20 CO 0.00 0.07 -0.70 -0.08 0.37 0.00 0.00 175.52 175.19 2aqe h GLU 21 N 0.40 0.00 0.00 6.66 4.81 -1.84 -2.98 114.58 121.63 2aqe h GLU 21 Ca 0.63 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.83 2aqe h GLU 21 Cb 1.56 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.93 2aqe h GLU 21 CO -0.36 0.70 -0.14 0.87 -0.73 0.00 0.00 179.01 179.35 2aqe h LYS 22 N 0.00 0.00 -6.46 1.92 1.57 -0.04 -3.43 116.57 110.13 2aqe h LYS 22 Ca -0.01 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 2aqe h LYS 22 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2aqe h LYS 22 CO 0.09 0.14 0.61 -0.51 -0.57 0.00 0.00 179.45 179.21 2aqe s LEU 23 N -6.55 4.35 0.96 2.94 1.43 -0.72 -4.98 118.68 116.11 2aqe s LEU 23 Ca 0.01 2.02 -0.13 0.00 -1.03 0.00 0.00 54.13 55.00 2aqe s LEU 23 Cb 0.10 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.75 2aqe s LEU 23 CO 0.61 -0.52 0.25 -3.20 0.23 0.00 0.00 176.35 173.72 2aqe n ASN 24 N 4.19 -2.57 -0.14 2.29 5.15 -1.26 -4.24 115.26 118.67 2aqe n ASN 24 Ca 0.10 0.30 0.27 0.00 -0.60 0.00 0.00 54.58 54.65 2aqe n ASN 24 Cb 0.46 -1.15 0.72 0.00 -0.53 0.00 0.00 39.78 39.28 2aqe n ASN 24 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2aqe h GLU 25 N -1.50 0.00 0.14 1.20 5.08 -1.93 0.17 114.58 117.74 2aqe h GLU 25 Ca -0.44 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.58 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 0.33 0.00 -1.79 -0.22 -1.00 0.00 0.00 179.01 176.33 2aqe h LYS 26 N 0.00 0.30 -0.20 2.33 3.64 -2.02 -3.34 116.57 117.27 2aqe h LYS 26 Ca 0.39 -0.51 -0.05 0.00 -1.27 0.00 0.00 60.65 59.22 2aqe h LYS 26 Cb 1.61 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 33.60 2aqe h LYS 26 CO -0.00 1.18 -0.09 0.93 -2.27 0.00 0.00 179.45 179.20 2aqe h GLU 27 N 0.08 0.32 0.16 1.90 5.08 -1.27 -2.44 114.58 118.41 2aqe h GLU 27 Ca -0.35 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 57.96 2aqe h GLU 27 Cb 2.06 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 31.23 2aqe h GLU 27 CO 0.14 0.42 -0.27 0.87 -1.00 0.00 0.00 179.01 179.17 2aqe h LYS 28 N 0.30 -0.49 -0.61 2.33 1.57 -0.88 -2.00 116.57 116.80 2aqe h LYS 28 Ca 0.06 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2aqe h LYS 28 Cb 0.35 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 2aqe h LYS 28 CO 0.02 -0.33 0.32 1.49 -0.57 0.00 0.00 179.45 180.38 2aqe h GLU 29 N -0.51 0.84 -0.95 3.15 4.81 -1.64 -2.11 114.58 118.17 2aqe h GLU 29 Ca 0.02 -0.09 0.15 0.00 -0.13 0.00 0.00 59.36 59.31 2aqe h GLU 29 Cb 0.52 -0.17 -0.10 0.00 0.63 0.00 0.00 28.75 29.63 2aqe h GLU 29 CO -0.13 0.63 0.56 1.25 -0.73 0.00 0.00 179.01 180.59 2aqe h LEU 30 N 0.85 0.75 -0.42 1.64 5.85 -0.89 0.93 115.31 124.02 2aqe h LEU 30 Ca 0.22 0.08 -0.18 0.00 0.84 0.00 0.00 57.88 58.83 2aqe h LEU 30 Cb 0.04 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 2aqe h LEU 30 CO -0.03 0.33 -0.67 0.00 -0.34 0.00 0.00 178.44 177.73 2aqe h GLN 32 N 0.36 0.00 0.04 0.00 4.20 -0.50 -2.76 115.11 116.45 2aqe h GLN 32 Ca -0.02 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 2aqe h GLN 32 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 2aqe h GLN 32 CO 0.12 0.08 -0.02 0.28 -0.67 0.00 0.00 178.83 178.62 2aqe h VAL 33 N 0.00 0.75 -2.02 -0.54 2.07 -0.96 -3.37 116.25 112.18 2aqe h VAL 33 Ca -0.00 -1.48 -0.75 0.00 0.82 0.00 0.00 66.70 65.29 2aqe h VAL 33 Cb 0.15 1.40 -0.18 0.00 -1.52 0.00 0.00 31.29 31.14 2aqe h VAL 33 CO 0.01 0.25 1.49 0.55 0.02 0.00 0.00 177.57 179.89 2aqe n VAL 34 N -4.75 4.31 -0.76 2.57 3.14 -0.84 -4.94 118.33 117.05 2aqe n VAL 34 Ca -0.05 -4.69 -0.18 0.00 -2.96 0.00 0.00 64.34 56.46 2aqe n VAL 34 Cb 0.21 -2.44 -0.09 0.00 -1.06 0.00 0.00 33.84 30.47 2aqe n VAL 34 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2aqe n ARG 35 N 5.03 0.00 -3.68 1.45 0.00 -1.06 -4.72 116.66 113.68 2aqe n ARG 35 Ca 0.37 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 58.10 2aqe n ARG 35 Cb 0.41 -0.69 -0.09 0.00 0.00 0.00 0.00 32.46 32.09 2aqe n ARG 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2aqe s LEU 36 N 3.33 -0.22 1.07 6.15 1.02 -1.23 -4.97 118.68 123.83 2aqe s LEU 36 Ca 0.68 1.11 -0.19 0.00 0.02 0.00 0.00 54.13 55.75 2aqe s LEU 36 Cb -0.58 1.81 0.04 0.00 0.02 0.00 0.00 46.19 47.48 2aqe s LEU 36 CO 0.26 -0.20 -0.21 1.33 0.02 0.00 0.00 176.35 177.55 2aqe n VAL 37 N 3.43 0.00 0.00 -1.59 0.24 -1.25 -4.74 118.33 114.43 2aqe n VAL 37 Ca -0.17 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 2aqe n VAL 37 Cb 0.56 -0.49 0.00 0.00 -1.47 0.00 0.00 33.84 32.44 2aqe n VAL 37 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 2aqe n PRO 38 N -1.14 0.00 -0.40 7.34 -0.02 -1.26 -3.39 135.00 136.12 2aqe n PRO 38 Ca 0.01 0.47 0.32 0.00 -2.02 0.00 0.00 63.50 62.28 2aqe n PRO 38 Cb 0.63 -1.19 0.61 0.00 -0.02 0.00 0.00 33.50 33.53 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 1.15 0.56 -1.23 0.00 -1.90 0.08 103.07 101.73 2aqe h GLY 39 Ca 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 2aqe h GLY 39 CO 0.00 -0.27 -0.42 0.00 0.00 0.00 0.00 176.54 175.85 2aqe h ALA 40 N 1.58 -0.90 -0.34 3.60 0.00 -1.93 -0.97 119.26 120.30 2aqe h ALA 40 Ca 0.73 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.56 2aqe h ALA 40 Cb 2.22 0.61 -0.06 0.00 0.00 0.00 0.00 17.79 20.55 2aqe h ALA 40 CO -0.34 -1.05 -0.07 -0.92 0.00 0.00 0.00 179.25 176.87 2aqe h TYR 41 N -0.84 -0.15 -0.88 0.00 3.20 -1.00 0.92 116.97 118.22 2aqe h TYR 41 Ca -0.03 0.03 0.19 0.00 3.14 0.00 0.00 58.73 62.06 2aqe h TYR 41 Cb 0.75 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 39.08 2aqe h TYR 41 CO -0.24 -0.13 0.58 -0.07 -1.64 0.00 0.00 178.16 176.66 2aqe h LEU 42 N 0.01 0.42 0.63 2.82 3.38 -1.18 0.27 115.31 121.65 2aqe h LEU 42 Ca 0.16 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 2aqe h LEU 42 Cb 0.25 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.96 2aqe h LEU 42 CO -0.34 0.18 -0.30 -0.08 0.09 0.00 0.00 178.44 177.99 2aqe h GLU 43 N 0.42 -0.81 0.02 1.13 4.81 0.53 0.13 114.58 120.81 2aqe h GLU 43 Ca 0.45 0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.76 2aqe h GLU 43 Cb 1.10 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.61 2aqe h GLU 43 CO -0.17 -0.54 -0.48 1.88 -0.73 0.00 0.00 179.01 178.97 2aqe h TYR 44 N -1.11 -1.41 -0.93 0.92 0.05 -0.53 -0.02 116.97 113.93 2aqe h TYR 44 Ca -0.09 0.04 0.24 0.00 0.05 0.00 0.00 58.73 58.98 2aqe h TYR 44 Cb 0.64 0.61 -0.13 0.00 1.01 0.00 0.00 36.73 38.87 2aqe h TYR 44 CO 0.02 -0.52 0.45 -0.22 -1.05 0.00 0.00 178.16 176.84 2aqe h LYS 45 N -0.62 0.40 -0.21 4.88 3.11 -0.57 1.33 116.57 124.90 2aqe h LYS 45 Ca 0.01 -0.02 0.06 0.00 -2.81 0.00 0.00 60.65 57.89 2aqe h LYS 45 Cb 0.65 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.78 2aqe h LYS 45 CO -0.31 0.27 0.36 0.77 -2.81 0.00 0.00 179.45 177.73 2aqe h SER 46 N 0.42 0.00 0.68 4.20 0.02 0.13 0.66 113.55 119.65 2aqe h SER 46 Ca 0.60 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 61.29 2aqe h SER 46 Cb 1.19 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.69 2aqe h SER 46 CO -0.54 0.00 -1.44 0.00 -1.14 0.00 0.00 176.83 173.72 2aqe h ALA 47 N 1.47 0.60 -0.25 3.77 0.00 0.20 -2.51 119.26 122.54 2aqe h ALA 47 Ca 0.10 -1.25 0.06 0.00 0.00 0.00 0.00 54.91 53.82 2aqe h ALA 47 Cb 0.83 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 2aqe h ALA 47 CO -0.00 1.45 -0.12 -0.07 0.00 0.00 0.00 179.25 180.51 2aqe h LEU 48 N 0.00 -0.40 0.02 0.00 -0.00 0.72 -0.74 115.31 114.91 2aqe h LEU 48 Ca -0.18 0.10 -0.18 0.00 -0.00 0.00 0.00 57.88 57.62 2aqe h LEU 48 Cb 1.92 0.22 0.02 0.00 -0.00 0.00 0.00 40.66 42.82 2aqe h LEU 48 CO 0.10 -0.15 -0.71 -0.07 -0.00 0.00 0.00 178.44 177.60 2aqe h LEU 49 N -0.08 0.59 0.35 1.67 4.07 -1.60 -2.42 115.31 117.89 2aqe h LEU 49 Ca 0.13 -0.78 -0.01 0.00 0.08 0.00 0.00 57.88 57.30 2aqe h LEU 49 Cb 0.28 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 2aqe h LEU 49 CO -0.31 1.30 -0.31 -1.13 -1.08 0.00 0.00 178.44 176.92 2aqe h ASN 50 N -0.05 -0.83 -1.00 -0.43 -1.24 -1.22 0.17 115.58 110.97 2aqe h ASN 50 Ca -0.10 0.06 0.01 0.00 0.71 0.00 0.00 56.30 56.99 2aqe h ASN 50 Cb 1.43 0.27 -0.05 0.00 0.73 0.00 0.00 38.32 40.70 2aqe h ASN 50 CO 0.14 -0.42 0.66 -0.33 -1.29 0.00 0.00 177.43 176.18 2aqe h GLU 51 N -0.65 1.32 0.00 6.67 3.07 -1.29 -0.98 114.58 122.73 2aqe h GLU 51 Ca -0.04 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.36 58.71 2aqe h GLU 51 Cb 0.55 -0.30 -0.00 0.00 -0.84 0.00 0.00 28.75 28.16 2aqe h GLU 51 CO -0.02 0.88 -0.10 0.00 -1.40 0.00 0.00 179.01 178.38 2aqe h HIS 53 N 0.00 0.06 0.12 0.00 3.86 0.69 -2.55 115.15 117.32 2aqe h HIS 53 Ca -0.00 -0.04 -0.33 0.00 -1.16 0.00 0.00 60.37 58.84 2aqe h HIS 53 Cb 0.30 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 2aqe h HIS 53 CO 0.00 1.04 -1.72 0.87 0.86 0.00 0.00 177.93 178.98 2aqe h LYS 54 N 0.01 0.25 -0.27 2.45 1.57 -0.93 -3.33 116.57 116.32 2aqe h LYS 54 Ca -0.07 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2aqe h LYS 54 Cb 1.83 0.16 0.00 0.00 0.08 0.00 0.00 32.23 34.30 2aqe h LYS 54 CO 0.13 1.09 0.00 1.04 -0.57 0.00 0.00 179.45 181.14 2aqe n GLN 55 N -3.43 1.82 -1.85 3.15 1.13 -0.09 -4.89 117.38 113.22 2aqe n GLN 55 Ca -0.22 -1.25 -0.14 0.00 -1.94 0.00 0.00 57.00 53.45 2aqe n GLN 55 Cb 1.05 -1.35 -0.04 0.00 0.11 0.00 0.00 30.24 30.01 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 1.13 0.57 0.00 1.08 0.00 -1.04 -4.79 105.19 102.14 2aqe n GLY 56 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2aqe n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqe n GLY 57 N -0.52 3.24 2.70 -0.02 0.00 -0.99 -4.97 105.19 104.64 2aqe n GLY 57 Ca -0.15 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 2aqe n GLY 57 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2aqe s LEU 58 N 0.00 2.07 0.00 0.99 2.96 0.40 -4.57 118.68 120.53 2aqe s LEU 58 Ca 0.00 -1.70 -0.03 0.00 -0.22 0.00 0.00 54.13 52.18 2aqe s LEU 58 Cb 0.00 -0.81 0.04 0.00 0.50 0.00 0.00 46.19 45.92 2aqe s LEU 58 CO 0.00 -0.40 0.09 -1.14 -1.32 0.00 0.00 176.35 173.58 2aqe n ARG 59 N 4.76 -2.31 -0.12 1.98 0.63 -0.59 -3.26 116.66 117.75 2aqe n ARG 59 Ca -0.01 -0.16 -0.23 0.00 -0.92 0.00 0.00 57.85 56.53 2aqe n ARG 59 Cb 0.41 -0.21 -0.08 0.00 0.45 0.00 0.00 32.46 33.04 2aqe n ARG 59 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2aqe n LEU 60 N 0.00 1.81 -0.30 6.15 7.94 -1.26 -4.10 117.00 127.23 2aqe n LEU 60 Ca 0.02 0.31 0.08 0.00 -1.11 0.00 0.00 56.01 55.31 2aqe n LEU 60 Cb 0.07 -0.74 0.24 0.00 0.53 0.00 0.00 43.42 43.52 2aqe n LEU 60 CO 0.04 0.33 1.11 0.00 -1.11 0.00 0.00 177.39 177.76 2aqe h ALA 61 N -0.91 1.34 -0.73 1.96 0.00 -2.00 1.06 119.26 119.97 2aqe h ALA 61 Ca -0.50 0.09 0.12 0.00 0.00 0.00 0.00 54.91 54.62 2aqe h ALA 61 Cb 1.41 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 2aqe h ALA 61 CO -0.30 -0.10 0.48 1.96 0.00 0.00 0.00 179.25 181.29 2aqe h GLN 62 N 0.63 0.50 0.71 0.00 1.08 -1.97 -2.35 115.11 113.72 2aqe h GLN 62 Ca 0.48 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.62 2aqe h GLN 62 Cb 0.71 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.02 2aqe h GLN 62 CO -0.38 0.33 -0.47 0.00 -0.95 0.00 0.00 178.83 177.37 2aqe h ALA 63 N 1.64 -1.24 -0.75 3.87 0.00 0.10 1.30 119.26 124.19 2aqe h ALA 63 Ca 0.35 -0.23 0.22 0.00 0.00 0.00 0.00 54.91 55.25 2aqe h ALA 63 Cb 0.64 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2aqe h ALA 63 CO -0.12 -1.21 0.61 0.00 0.00 0.00 0.00 179.25 178.54 2aqe h ARG 64 N -1.11 0.00 0.00 0.00 -0.00 -1.15 0.72 114.38 112.84 2aqe h ARG 64 Ca -0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.39 2aqe h ARG 64 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.87 2aqe h ARG 64 CO 0.08 0.00 -1.05 0.00 0.00 0.00 0.00 179.97 179.00 2aqe n ALA 65 N -2.57 2.66 -0.96 0.04 0.00 -0.53 -4.61 120.51 114.53 2aqe n ALA 65 Ca 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2aqe n ALA 65 Cb 0.88 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.26 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 -2.53 1.41 0.00 0.00 -0.00 0.44 -5.03 117.00 111.29 2aqe n LEU 66 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.02 2aqe n LEU 66 Cb 0.53 -0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 2aqe n LEU 66 CO 0.40 -0.02 0.00 2.30 -0.00 0.00 0.00 177.39 180.07 2aqe n ILE 67 N -1.06 0.00 -2.97 1.96 -5.35 -0.76 -4.97 119.36 106.21 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 -1.42 0.00 0.00 -1.74 0.00 0.00 39.64 36.48 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 -0.65 0.00 0.00 6.28 4.76 -1.26 -4.62 118.16 122.67 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 -0.00 -1.26 -5.01 119.36 112.90 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 0.47 -0.00 0.00 0.00 176.55 177.02 2aqe n ASP 70 N -0.80 0.00 0.00 7.28 9.92 -1.26 -5.00 116.55 126.69 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 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 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 -0.14 0.00 -0.11 2.53 3.14 -1.26 -4.83 118.33 117.65 2aqe n VAL 71 Ca 0.00 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.36 2aqe n VAL 71 Cb 0.00 0.00 0.20 0.00 -1.06 0.00 0.00 33.84 32.98 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 0.74 0.19 6.55 -0.73 -1.98 1.29 115.58 121.64 2aqe h ASN 72 Ca 0.00 -0.13 -0.01 0.00 1.87 0.00 0.00 56.30 58.03 2aqe h ASN 72 Cb 0.00 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 38.40 2aqe h ASN 72 CO 0.00 0.73 -0.09 0.11 -0.37 0.00 0.00 177.43 177.81 2aqe h LYS 73 N 0.76 -0.25 -0.08 6.67 6.56 -2.01 -2.79 116.57 125.44 2aqe h LYS 73 Ca 0.17 0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.77 2aqe h LYS 73 Cb 0.29 0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 32.01 2aqe h LYS 73 CO -0.00 0.10 0.04 1.15 -2.06 0.00 0.00 179.45 178.69 2aqe h THR 74 N -0.64 1.09 -0.89 -0.16 2.02 -1.86 -2.79 112.91 109.68 2aqe h THR 74 Ca -0.03 -0.27 0.23 0.00 0.77 0.00 0.00 66.41 67.12 2aqe h THR 74 Cb 0.46 1.12 -0.15 0.00 -1.74 0.00 0.00 68.15 67.84 2aqe h THR 74 CO 0.04 0.08 0.10 0.03 0.37 0.00 0.00 175.52 176.15 2aqe h ARG 75 N 0.03 0.10 0.46 6.66 2.47 0.17 0.23 114.38 124.50 2aqe h ARG 75 Ca 0.03 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.72 2aqe h ARG 75 Cb 0.09 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 2aqe h ARG 75 CO -0.00 0.07 -0.22 0.87 0.56 0.00 0.00 179.97 181.24 2aqe h LYS 76 N 0.10 -0.59 -0.06 0.04 1.57 -1.30 0.60 116.57 116.93 2aqe h LYS 76 Ca 0.54 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.40 2aqe h LYS 76 Cb 1.07 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 33.46 2aqe h LYS 76 CO -0.76 -0.39 -0.29 0.82 -0.57 0.00 0.00 179.45 178.25 2aqe h ILE 77 N -1.14 0.34 -0.19 1.86 2.04 -1.16 -1.89 117.51 117.37 2aqe h ILE 77 Ca -0.06 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 2aqe h ILE 77 Cb 0.47 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2aqe h ILE 77 CO 0.10 0.00 0.11 1.88 0.00 0.00 0.00 178.15 180.25 2aqe h TYR 78 N -0.41 0.24 -0.50 1.37 -1.99 -0.66 -1.36 116.97 113.66 2aqe h TYR 78 Ca 0.08 -0.00 0.15 0.00 2.00 0.00 0.00 58.73 60.95 2aqe h TYR 78 Cb 0.52 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 39.15 2aqe h TYR 78 CO -0.35 0.19 0.50 0.22 -0.00 0.00 0.00 178.16 178.72 2aqe h ASP 79 N 0.22 0.00 0.16 3.88 1.82 -0.44 0.44 116.42 122.50 2aqe h ASP 79 Ca 0.07 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.70 2aqe h ASP 79 Cb 0.02 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.03 2aqe h ASP 79 CO -0.01 0.00 -0.08 0.15 -1.61 0.00 0.00 179.24 177.69 2aqe h PHE 80 N 0.00 -0.19 -0.67 0.28 3.57 -0.45 -2.66 116.94 116.81 2aqe h PHE 80 Ca 0.24 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 2aqe h PHE 80 Cb 1.24 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 40.02 2aqe h PHE 80 CO 0.00 -0.12 0.21 -0.07 -2.23 0.00 0.00 178.31 176.10 2aqe h LEU 81 N -0.62 0.96 0.15 0.59 3.38 -1.18 0.24 115.31 118.83 2aqe h LEU 81 Ca -0.02 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.80 2aqe h LEU 81 Cb 0.16 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 2aqe h LEU 81 CO 0.04 0.89 -0.36 0.40 0.09 0.00 0.00 178.44 179.50 2aqe h ILE 82 N 0.99 0.26 0.00 1.22 1.08 -0.26 -1.91 117.51 118.90 2aqe h ILE 82 Ca 0.22 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.69 2aqe h ILE 82 Cb 0.27 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 34.28 2aqe h ILE 82 CO -0.01 0.00 0.00 0.54 -0.69 0.00 0.00 178.15 177.99 2aqe n ARG 83 N -5.44 0.12 -0.46 2.37 1.74 -1.00 -4.56 116.66 109.43 2aqe n ARG 83 Ca -0.07 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2aqe n ARG 83 Cb 0.35 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 2aqe n ARG 83 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2aqe n GLU 84 N -1.86 0.65 -0.68 5.56 -0.58 0.83 -4.96 120.64 119.61 2aqe n GLU 84 Ca 0.06 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.67 2aqe n GLU 84 Cb 0.37 0.00 0.10 0.00 -0.57 0.00 0.00 31.44 31.34 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 5.00 3.37 0.00 0.62 0.00 -1.26 -4.51 105.19 108.41 2aqe n GLY 85 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.40 0.00 -3.96 1.61 4.01 -1.23 -5.08 117.16 112.12 2aqe n TYR 86 Ca 0.33 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 58.05 2aqe n TYR 86 Cb 1.15 -0.04 -0.00 0.00 -0.31 0.00 0.00 39.34 40.13 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 -1.83 0.00 -3.91 -0.72 -5.35 -1.13 -4.98 119.36 101.44 2aqe n ILE 87 Ca 0.00 -0.16 -0.09 0.00 -0.27 0.00 0.00 62.75 62.24 2aqe n ILE 87 Cb 0.00 -0.05 -0.08 0.00 -1.74 0.00 0.00 39.64 37.76 2aqe n ILE 87 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2aqe s THR 88 N -0.96 0.15 -0.02 7.28 -1.32 -1.26 -4.42 115.64 115.09 2aqe s THR 88 Ca 0.00 -1.26 -0.22 0.00 -1.21 0.00 0.00 61.69 59.00 2aqe s THR 88 Cb -0.00 -1.27 -0.23 0.00 -1.51 0.00 0.00 72.50 69.49 2aqe s THR 88 CO 0.00 -0.70 1.07 0.50 -2.21 0.00 0.00 174.62 173.29 2aqe h LYS 89 N 3.03 0.29 0.00 7.08 3.64 -1.83 1.16 116.57 129.94 2aqe h LYS 89 Ca -0.34 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 58.74 2aqe h LYS 89 Cb 1.18 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2aqe h LYS 89 CO 0.56 1.00 0.00 0.00 -2.27 0.00 0.00 179.45 178.74