#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 0.00 -4.84 1.61 2.88 -1.26 -5.05 113.62 106.96 2aqe n SER 2 Ca 0.00 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.27 2aqe n SER 2 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 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 -1.12 5.79 -0.19 -3.46 2.47 -1.26 -4.81 114.94 112.36 2aqe s ASN 3 Ca 0.00 -0.02 -0.02 0.00 0.42 0.00 0.00 52.86 53.24 2aqe s ASN 3 Cb 0.00 -1.60 0.01 0.00 -1.45 0.00 0.00 41.25 38.21 2aqe s ASN 3 CO 0.00 0.07 0.04 -0.24 -3.72 0.00 0.00 177.10 173.25 2aqe n SER 4 N -0.35 -6.42 -4.37 -4.21 2.88 -1.26 -4.87 113.62 95.01 2aqe n SER 4 Ca -0.08 1.12 -0.45 0.00 -1.33 0.00 0.00 58.87 58.14 2aqe n SER 4 Cb 0.54 -4.07 -0.04 0.00 -0.75 0.00 0.00 64.21 59.89 2aqe n SER 4 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2aqe s GLY 5 N -1.19 1.92 0.00 0.46 0.00 -1.26 -4.86 107.32 102.39 2aqe s GLY 5 Ca -0.05 -2.44 0.00 0.00 0.00 0.00 0.00 44.72 42.23 2aqe s GLY 5 CO 0.52 1.55 0.00 0.54 0.00 0.00 0.00 173.10 175.71 2aqe n ARG 6 N 5.97 0.00 -1.81 2.90 1.74 -1.26 -4.41 116.66 119.79 2aqe n ARG 6 Ca -0.04 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.94 2aqe n ARG 6 Cb 0.43 -0.34 -0.02 0.00 -1.02 0.00 0.00 32.46 31.51 2aqe n ARG 6 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2aqe n ARG 7 N -2.24 -1.75 -3.61 5.56 0.63 -1.26 -4.82 116.66 109.17 2aqe n ARG 7 Ca 0.00 0.51 -0.04 0.00 -0.92 0.00 0.00 57.85 57.40 2aqe n ARG 7 Cb 0.00 -4.87 -0.03 0.00 0.45 0.00 0.00 32.46 28.01 2aqe n ARG 7 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2aqe s SER 8 N -1.90 -0.13 1.06 6.15 1.04 -1.26 -5.16 113.70 113.51 2aqe s SER 8 Ca 0.00 0.06 -0.15 0.00 0.48 0.00 0.00 55.95 56.34 2aqe s SER 8 Cb 0.00 0.12 0.13 0.00 0.10 0.00 0.00 66.02 66.37 2aqe s SER 8 CO 0.00 -0.17 0.48 0.00 0.98 0.00 0.00 173.24 174.53 2aqe n ALA 9 N 0.18 -3.05 -2.20 5.32 0.00 -1.26 -4.83 120.51 114.67 2aqe n ALA 9 Ca -0.00 -0.99 -0.43 0.00 0.00 0.00 0.00 53.44 52.02 2aqe n ALA 9 Cb 0.58 -1.79 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 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 -3.86 3.50 0.00 0.00 0.04 -1.26 -4.91 135.00 128.51 2aqe s PRO 10 Ca 0.60 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.82 2aqe s PRO 10 Cb -0.19 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.26 2aqe s PRO 10 CO 0.65 -1.65 0.04 -0.35 0.04 0.00 0.00 177.00 175.73 2aqe n PRO 11 N 8.18 0.00 0.00 0.56 -0.05 -1.26 -4.99 135.00 137.44 2aqe n PRO 11 Ca 0.19 0.33 0.00 0.00 -0.05 0.00 0.00 63.50 63.97 2aqe n PRO 11 Cb 0.47 -0.86 0.00 0.00 -0.05 0.00 0.00 33.50 33.07 2aqe n PRO 11 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 2aqe n LEU 12 N -1.49 0.00 0.00 1.53 4.32 -1.26 -5.07 117.00 115.03 2aqe n LEU 12 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2aqe n LEU 12 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2aqe n LEU 12 CO 0.00 -0.02 0.00 0.59 -1.22 0.00 0.00 177.39 176.74 2aqe n ASN 13 N -1.06 0.00 -0.44 -1.43 3.02 -1.26 -4.86 115.26 109.23 2aqe n ASN 13 Ca 0.00 0.00 0.38 0.00 -0.03 0.00 0.00 54.58 54.93 2aqe n ASN 13 Cb 0.00 0.00 0.72 0.00 -0.61 0.00 0.00 39.78 39.89 2aqe n ASN 13 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2aqe h LEU 14 N 0.00 0.10 -9.24 3.41 5.85 -1.92 -3.40 115.31 110.11 2aqe h LEU 14 Ca 0.00 0.03 -0.55 0.00 0.84 0.00 0.00 57.88 58.21 2aqe h LEU 14 Cb 0.00 0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.06 2aqe h LEU 14 CO 0.00 -0.02 1.25 0.28 -0.34 0.00 0.00 178.44 179.61 2aqe s THR 15 N -5.05 3.18 0.00 1.05 -1.32 -1.26 -1.73 115.64 110.51 2aqe s THR 15 Ca -0.06 0.21 0.00 0.00 -1.21 0.00 0.00 61.69 60.63 2aqe s THR 15 Cb 0.25 -3.16 0.00 0.00 -1.51 0.00 0.00 72.50 68.08 2aqe s THR 15 CO 0.83 -0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.81 2aqe n GLY 16 N 4.70 0.81 3.53 6.08 0.00 -1.26 -5.01 105.19 114.04 2aqe n GLY 16 Ca 0.21 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 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 2.68 0.06 0.99 1.43 -0.70 -4.93 118.68 118.21 2aqe s LEU 17 Ca 0.00 -1.22 -0.30 0.00 -1.03 0.00 0.00 54.13 51.57 2aqe s LEU 17 Cb 0.00 -0.90 -0.05 0.00 0.03 0.00 0.00 46.19 45.27 2aqe s LEU 17 CO 0.00 -0.27 1.14 -2.16 0.23 0.00 0.00 176.35 175.29 2aqe s PRO 18 N -3.65 4.48 0.00 1.29 0.04 -1.26 -3.15 135.00 132.75 2aqe s PRO 18 Ca 0.32 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2aqe s PRO 18 Cb 0.04 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.22 2aqe s PRO 18 CO 0.16 -0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.44 2aqe n GLY 19 N 2.98 3.01 0.50 0.56 0.00 -1.26 -4.03 105.19 106.96 2aqe n GLY 19 Ca 0.07 -0.62 0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 0.26 0.04 2.61 2.02 -1.82 0.77 112.91 116.79 2aqe h THR 20 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2aqe h THR 20 Cb 0.00 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 2aqe h THR 20 CO 0.00 0.00 -0.02 -0.08 0.37 0.00 0.00 175.52 175.79 2aqe h GLU 21 N 0.00 -0.05 -0.32 6.66 4.57 -1.84 -3.13 114.58 120.48 2aqe h GLU 21 Ca 0.45 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.72 2aqe h GLU 21 Cb 2.14 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.73 2aqe h GLU 21 CO -0.00 0.61 0.35 0.87 -1.18 0.00 0.00 179.01 179.66 2aqe h LYS 22 N -0.79 0.00 -6.04 1.92 1.57 -1.22 -3.35 116.57 108.65 2aqe h LYS 22 Ca -0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 2aqe h LYS 22 Cb 0.68 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.94 2aqe h LYS 22 CO 0.01 0.00 1.21 -0.51 -0.57 0.00 0.00 179.45 179.59 2aqe s LEU 23 N -7.46 3.25 0.00 2.94 1.43 -0.95 -4.90 118.68 112.99 2aqe s LEU 23 Ca -0.04 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 2aqe s LEU 23 Cb 0.15 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.83 2aqe s LEU 23 CO 0.54 -2.25 0.44 0.59 0.23 0.00 0.00 176.35 175.90 2aqe n ASN 24 N 11.91 0.00 0.00 2.29 3.02 -1.26 -4.04 115.26 127.18 2aqe n ASN 24 Ca 0.19 0.44 0.00 0.00 -0.03 0.00 0.00 54.58 55.18 2aqe n ASN 24 Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 2aqe n ASN 24 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2aqe n GLU 25 N -0.62 0.00 -0.25 3.52 1.02 -1.26 -4.57 120.64 118.48 2aqe n GLU 25 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 2aqe n GLU 25 Cb 0.00 -0.15 0.08 0.00 -0.02 0.00 0.00 31.44 31.35 2aqe n GLU 25 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2aqe h LYS 26 N 0.00 0.85 0.06 3.49 1.57 -1.97 1.25 116.57 121.81 2aqe h LYS 26 Ca 0.00 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 2aqe h LYS 26 Cb 0.00 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.12 2aqe h LYS 26 CO 0.00 0.56 -0.52 0.93 -0.57 0.00 0.00 179.45 179.85 2aqe h GLU 27 N 0.87 0.12 0.06 3.15 5.08 -1.89 -1.77 114.58 120.20 2aqe h GLU 27 Ca 0.28 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2aqe h GLU 27 Cb 0.01 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 2aqe h GLU 27 CO -0.11 1.10 -0.36 -0.22 -1.00 0.00 0.00 179.01 178.42 2aqe h LYS 28 N -0.73 -0.54 -0.40 2.33 3.64 -1.66 0.10 116.57 119.31 2aqe h LYS 28 Ca -0.11 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 2aqe h LYS 28 Cb 1.31 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.23 2aqe h LYS 28 CO 0.03 -0.36 0.18 1.49 -2.27 0.00 0.00 179.45 178.52 2aqe h GLU 29 N -0.56 0.56 -0.77 1.90 4.81 0.14 -0.63 114.58 120.04 2aqe h GLU 29 Ca 0.04 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 2aqe h GLU 29 Cb 0.61 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.84 2aqe h GLU 29 CO -0.25 0.45 0.50 -0.07 -0.73 0.00 0.00 179.01 178.91 2aqe h LEU 30 N 0.56 0.77 -0.00 1.64 3.38 -0.10 -1.04 115.31 120.53 2aqe h LEU 30 Ca 0.14 -0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.90 2aqe h LEU 30 Cb 0.08 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2aqe h LEU 30 CO -0.02 0.52 -1.00 0.00 0.09 0.00 0.00 178.44 178.03 2aqe h GLN 32 N 0.00 0.00 0.00 0.00 4.20 0.04 -3.05 115.11 116.30 2aqe h GLN 32 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2aqe h GLN 32 Cb 1.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.55 2aqe h GLN 32 CO 0.13 0.07 -0.37 0.28 -0.67 0.00 0.00 178.83 178.27 2aqe h VAL 33 N 0.00 0.00 -2.40 -0.54 2.07 -1.23 -3.41 116.25 110.75 2aqe h VAL 33 Ca -0.00 -0.95 -0.72 0.00 0.82 0.00 0.00 66.70 65.84 2aqe h VAL 33 Cb 0.47 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.05 2aqe h VAL 33 CO 0.01 0.00 1.04 0.68 0.02 0.00 0.00 177.57 179.32 2aqe s VAL 34 N -2.03 4.96 -0.63 2.57 -7.23 -1.02 -4.94 120.40 112.08 2aqe s VAL 34 Ca -0.11 -2.20 -0.12 0.00 -1.81 0.00 0.00 61.98 57.74 2aqe s VAL 34 Cb 0.01 -4.82 -0.18 0.00 0.56 0.00 0.00 36.38 31.95 2aqe s VAL 34 CO 0.16 -1.53 1.52 -1.14 -0.31 0.00 0.00 175.10 173.80 2aqe n ARG 35 N 5.85 0.00 -4.41 4.82 0.00 -1.15 -4.65 116.66 117.12 2aqe n ARG 35 Ca 0.30 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.91 2aqe n ARG 35 Cb 0.46 -0.78 -0.08 0.00 0.00 0.00 0.00 32.46 32.06 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 2.57 1.89 0.18 6.15 1.02 -1.22 -5.08 118.68 124.19 2aqe s LEU 36 Ca 0.85 -1.77 0.06 0.00 0.02 0.00 0.00 54.13 53.30 2aqe s LEU 36 Cb -0.66 0.26 -0.04 0.00 0.02 0.00 0.00 46.19 45.78 2aqe s LEU 36 CO 0.34 -1.04 0.08 0.68 0.02 0.00 0.00 176.35 176.42 2aqe s VAL 37 N -3.28 4.12 0.01 -1.59 -7.23 -1.26 -4.39 120.40 106.79 2aqe s VAL 37 Ca 0.31 -1.27 -0.20 0.00 -1.81 0.00 0.00 61.98 59.01 2aqe s VAL 37 Cb 0.02 -3.10 -0.11 0.00 0.56 0.00 0.00 36.38 33.75 2aqe s VAL 37 CO 0.22 -0.13 1.04 -0.65 -0.31 0.00 0.00 175.10 175.27 2aqe h PRO 38 N 2.47 -0.68 -1.12 4.82 0.11 -1.93 -0.28 132.00 135.39 2aqe h PRO 38 Ca -0.47 0.05 0.31 0.00 0.11 0.00 0.00 66.00 65.99 2aqe h PRO 38 Cb 1.20 0.16 -0.09 0.00 0.11 0.00 0.00 31.00 32.38 2aqe h PRO 38 CO 0.61 -0.46 0.75 0.78 -0.21 0.00 0.00 178.00 179.47 2aqe h GLY 39 N -0.88 0.91 0.17 -0.55 0.00 -1.93 0.75 103.07 101.54 2aqe h GLY 39 Ca -0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 2aqe h GLY 39 CO 0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 176.54 176.49 2aqe h ALA 40 N 1.56 -0.09 -0.67 3.60 0.00 -1.94 -2.34 119.26 119.38 2aqe h ALA 40 Ca 0.62 -0.28 0.09 0.00 0.00 0.00 0.00 54.91 55.34 2aqe h ALA 40 Cb 1.86 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.61 2aqe h ALA 40 CO -0.24 -0.13 0.31 -0.92 0.00 0.00 0.00 179.25 178.27 2aqe h TYR 41 N -0.92 0.55 -0.83 0.00 5.03 0.24 0.15 116.97 121.19 2aqe h TYR 41 Ca -0.01 0.03 0.08 0.00 2.58 0.00 0.00 58.73 61.41 2aqe h TYR 41 Cb 0.59 -0.15 -0.06 0.00 1.55 0.00 0.00 36.73 38.66 2aqe h TYR 41 CO 0.14 0.19 0.54 -0.07 -1.32 0.00 0.00 178.16 177.64 2aqe h LEU 42 N 0.53 0.77 0.37 2.82 3.38 0.40 -1.23 115.31 122.35 2aqe h LEU 42 Ca 0.33 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.30 2aqe h LEU 42 Cb 0.37 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2aqe h LEU 42 CO -0.28 0.48 -0.18 -0.08 0.09 0.00 0.00 178.44 178.47 2aqe h GLU 43 N 0.86 -0.48 -0.44 1.13 4.57 -0.17 -2.61 114.58 117.44 2aqe h GLU 43 Ca 0.37 0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.67 2aqe h GLU 43 Cb 0.32 0.11 -0.09 0.00 -0.16 0.00 0.00 28.75 28.92 2aqe h GLU 43 CO -0.14 -0.32 -0.15 1.88 -1.18 0.00 0.00 179.01 179.10 2aqe h TYR 44 N -0.72 -0.35 -0.76 0.92 0.05 -1.19 0.13 116.97 115.05 2aqe h TYR 44 Ca -0.05 0.04 0.17 0.00 0.05 0.00 0.00 58.73 58.94 2aqe h TYR 44 Cb 0.38 0.22 -0.11 0.00 1.01 0.00 0.00 36.73 38.23 2aqe h TYR 44 CO 0.06 -0.24 0.19 -0.22 -1.05 0.00 0.00 178.16 176.90 2aqe h LYS 45 N -0.05 0.26 0.00 4.88 3.64 -1.30 1.24 116.57 125.23 2aqe h LYS 45 Ca 0.21 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2aqe h LYS 45 Cb 0.38 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2aqe h LYS 45 CO -0.48 0.17 0.00 0.43 -2.27 0.00 0.00 179.45 177.30 2aqe n SER 46 N -5.16 0.10 0.04 4.20 7.64 -0.07 -2.52 113.62 117.85 2aqe n SER 46 Ca 0.15 0.52 -0.09 0.00 1.01 0.00 0.00 58.87 60.46 2aqe n SER 46 Cb 0.49 -0.54 -0.13 0.00 -1.01 0.00 0.00 64.21 63.02 2aqe n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2aqe h ALA 47 N 2.56 0.45 0.10 -0.43 0.00 0.26 -2.51 119.26 119.69 2aqe h ALA 47 Ca 0.00 -1.09 -0.24 0.00 0.00 0.00 0.00 54.91 53.57 2aqe h ALA 47 Cb 0.32 0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.22 2aqe h ALA 47 CO 0.00 1.33 -1.01 -0.07 0.00 0.00 0.00 179.25 179.50 2aqe h LEU 48 N 0.01 0.72 -0.95 0.00 -0.00 -1.12 -1.71 115.31 112.27 2aqe h LEU 48 Ca -0.12 -0.83 -0.07 0.00 -0.00 0.00 0.00 57.88 56.86 2aqe h LEU 48 Cb 1.87 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 42.28 2aqe h LEU 48 CO 0.12 1.48 0.05 0.25 -0.00 0.00 0.00 178.44 180.34 2aqe h LEU 49 N 0.06 0.78 0.44 1.67 7.12 -1.61 -0.30 115.31 123.47 2aqe h LEU 49 Ca -0.15 -0.17 -0.02 0.00 0.13 0.00 0.00 57.88 57.66 2aqe h LEU 49 Cb 1.72 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 41.65 2aqe h LEU 49 CO 0.19 0.82 -0.21 -1.13 -0.13 0.00 0.00 178.44 177.98 2aqe h ASN 50 N 0.77 -0.50 0.11 1.25 -0.00 -1.47 -2.47 115.58 113.28 2aqe h ASN 50 Ca 0.16 0.02 0.01 0.00 -0.00 0.00 0.00 56.30 56.49 2aqe h ASN 50 Cb 0.40 0.13 -0.03 0.00 -0.00 0.00 0.00 38.32 38.82 2aqe h ASN 50 CO 0.01 -0.08 -0.20 -0.08 -0.00 0.00 0.00 177.43 177.09 2aqe h GLU 51 N -1.15 -0.36 -0.89 6.67 4.57 -1.34 0.22 114.58 122.30 2aqe h GLU 51 Ca -0.06 0.02 0.15 0.00 -1.18 0.00 0.00 59.36 58.29 2aqe h GLU 51 Cb 0.45 0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 29.03 2aqe h GLU 51 CO 0.10 -0.24 0.49 0.00 -1.18 0.00 0.00 179.01 178.18 2aqe h HIS 53 N 0.70 0.00 0.02 0.00 -0.00 -0.91 0.78 115.15 115.74 2aqe h HIS 53 Ca 0.48 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.76 2aqe h HIS 53 Cb 0.65 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.07 2aqe h HIS 53 CO -0.07 0.41 -0.36 -0.22 -0.00 0.00 0.00 177.93 177.69 2aqe h LYS 54 N 0.00 0.20 0.10 5.26 3.11 0.26 -3.38 116.57 122.12 2aqe h LYS 54 Ca -0.00 -0.25 -0.34 0.00 -2.81 0.00 0.00 60.65 57.24 2aqe h LYS 54 Cb 1.06 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 32.34 2aqe h LYS 54 CO 0.05 1.01 -1.88 1.04 -2.81 0.00 0.00 179.45 176.87 2aqe n GLN 55 N -4.41 0.72 0.00 1.90 6.02 0.95 -5.05 117.38 117.51 2aqe n GLN 55 Ca -0.11 0.32 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 2aqe n GLN 55 Cb 0.58 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 30.13 2aqe n GLN 55 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2aqe n GLY 56 N 1.89 1.79 3.45 1.08 0.00 0.27 -5.07 105.19 108.61 2aqe n GLY 56 Ca -0.33 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 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 1.64 -0.22 -0.02 0.00 -1.25 -4.49 107.32 102.98 2aqe s GLY 57 Ca 0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 44.72 43.32 2aqe s GLY 57 CO 0.00 -1.32 0.13 1.08 0.00 0.00 0.00 173.10 172.99 2aqe s LEU 58 N -2.00 0.29 0.00 0.66 1.02 0.29 -4.58 118.68 114.36 2aqe s LEU 58 Ca 0.16 -0.75 -0.11 0.00 0.02 0.00 0.00 54.13 53.45 2aqe s LEU 58 Cb -0.10 -0.13 0.17 0.00 0.02 0.00 0.00 46.19 46.15 2aqe s LEU 58 CO 0.08 -0.37 0.38 -1.14 0.02 0.00 0.00 176.35 175.32 2aqe n ARG 59 N 5.28 -1.78 0.05 1.70 0.63 -1.25 -3.00 116.66 118.28 2aqe n ARG 59 Ca -0.06 -0.64 0.10 0.00 -0.92 0.00 0.00 57.85 56.33 2aqe n ARG 59 Cb 0.47 -1.09 -0.08 0.00 0.45 0.00 0.00 32.46 32.21 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 0.48 0.07 6.15 7.94 -1.26 -3.43 117.00 126.95 2aqe n LEU 60 Ca 0.06 0.19 -0.11 0.00 -1.11 0.00 0.00 56.01 55.03 2aqe n LEU 60 Cb 0.26 -0.01 -0.08 0.00 0.53 0.00 0.00 43.42 44.12 2aqe n LEU 60 CO 0.17 -0.07 0.45 0.00 -1.11 0.00 0.00 177.39 176.84 2aqe h ALA 61 N 1.93 -0.23 -0.36 1.96 0.00 -1.99 -2.39 119.26 118.17 2aqe h ALA 61 Ca -0.03 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.76 2aqe h ALA 61 Cb 1.08 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2aqe h ALA 61 CO 0.00 -0.35 0.29 1.96 0.00 0.00 0.00 179.25 181.16 2aqe h GLN 62 N -0.81 0.00 -0.71 0.00 1.08 -1.94 0.39 115.11 113.12 2aqe h GLN 62 Ca -0.02 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 2aqe h GLN 62 Cb 0.52 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 2aqe h GLN 62 CO 0.04 0.00 0.29 0.00 -0.95 0.00 0.00 178.83 178.21 2aqe h ALA 63 N 1.75 1.19 -0.86 3.87 0.00 -1.52 0.80 119.26 124.50 2aqe h ALA 63 Ca 0.17 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2aqe h ALA 63 Cb 0.75 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2aqe h ALA 63 CO -0.00 0.60 0.42 0.00 0.00 0.00 0.00 179.25 180.27 2aqe h ARG 64 N 1.02 1.23 -0.04 0.00 2.47 0.28 -1.49 114.38 117.85 2aqe h ARG 64 Ca 0.24 -0.17 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 2aqe h ARG 64 Cb 0.17 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 2aqe h ARG 64 CO -0.02 0.93 0.00 0.00 0.56 0.00 0.00 179.97 181.44 2aqe n ALA 65 N -2.41 2.60 -0.46 0.04 0.00 -0.79 -4.45 120.51 115.03 2aqe n ALA 65 Ca 0.09 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2aqe n ALA 65 Cb 0.13 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.21 0.66 0.00 0.00 -0.00 0.21 -5.03 117.00 112.63 2aqe n LEU 66 Ca 0.19 0.13 -0.13 0.00 -0.00 0.00 0.00 56.01 56.20 2aqe n LEU 66 Cb 0.25 -0.27 0.07 0.00 -0.00 0.00 0.00 43.42 43.48 2aqe n LEU 66 CO 0.16 -0.27 0.32 2.30 -0.00 0.00 0.00 177.39 179.90 2aqe n ILE 67 N -1.69 0.00 -0.11 1.96 -5.35 -1.19 -4.94 119.36 108.04 2aqe n ILE 67 Ca 0.00 -0.85 0.00 0.00 -0.27 0.00 0.00 62.75 61.63 2aqe n ILE 67 Cb 0.00 -1.15 0.00 0.00 -1.74 0.00 0.00 39.64 36.75 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 -2.06 0.00 0.00 6.28 5.02 -1.26 -4.68 118.16 121.47 2aqe n LYS 68 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 2aqe n LYS 68 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.34 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 -0.00 -1.26 -5.08 119.36 112.83 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 -0.93 0.00 0.00 7.28 8.00 -1.26 -4.96 116.55 124.68 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 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2aqe n ASP 70 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 2aqe n VAL 71 N 0.00 0.00 -0.12 2.53 3.14 -1.26 -4.63 118.33 117.98 2aqe n VAL 71 Ca 0.00 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.26 2aqe n VAL 71 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 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 0.81 -0.40 6.55 -1.24 -1.98 0.75 115.58 120.07 2aqe h ASN 72 Ca 0.00 -0.41 0.08 0.00 0.71 0.00 0.00 56.30 56.68 2aqe h ASN 72 Cb 0.00 -0.22 -0.09 0.00 0.73 0.00 0.00 38.32 38.74 2aqe h ASN 72 CO 0.00 1.05 -0.22 0.11 -1.29 0.00 0.00 177.43 177.07 2aqe h LYS 73 N 0.58 -0.14 -0.26 6.67 6.56 -1.99 -0.25 116.57 127.74 2aqe h LYS 73 Ca 0.08 0.01 -0.14 0.00 -1.06 0.00 0.00 60.65 59.54 2aqe h LYS 73 Cb 0.75 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.43 2aqe h LYS 73 CO 0.06 -0.10 -0.43 1.15 -2.06 0.00 0.00 179.45 178.07 2aqe h THR 74 N -0.15 1.30 -1.09 -0.16 2.02 -1.87 -2.85 112.91 110.11 2aqe h THR 74 Ca 0.20 -1.61 0.30 0.00 0.77 0.00 0.00 66.41 66.06 2aqe h THR 74 Cb 0.45 1.56 -0.07 0.00 -1.74 0.00 0.00 68.15 68.36 2aqe h THR 74 CO -0.50 0.51 0.75 -0.09 0.37 0.00 0.00 175.52 176.57 2aqe h ARG 75 N 0.52 0.15 0.05 6.66 2.43 0.96 0.42 114.38 125.56 2aqe h ARG 75 Ca 0.04 -0.01 -0.24 0.00 -0.81 0.00 0.00 59.98 58.96 2aqe h ARG 75 Cb 0.96 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.45 2aqe h ARG 75 CO 0.09 0.10 -1.26 0.87 -1.51 0.00 0.00 179.97 178.26 2aqe h LYS 76 N 0.16 0.10 0.39 0.20 1.57 -1.20 -2.37 116.57 115.42 2aqe h LYS 76 Ca 0.56 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 59.15 2aqe h LYS 76 Cb 1.88 0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.26 2aqe h LYS 76 CO -0.13 1.08 -0.19 0.82 -0.57 0.00 0.00 179.45 180.46 2aqe h ILE 77 N -0.68 0.61 -0.54 1.86 2.04 -1.15 -2.39 117.51 117.26 2aqe h ILE 77 Ca -0.31 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.32 2aqe h ILE 77 Cb 1.49 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 2aqe h ILE 77 CO -0.08 0.05 0.35 0.22 0.00 0.00 0.00 178.15 178.69 2aqe h TYR 78 N -0.67 0.66 -0.87 1.37 5.03 -0.38 -1.77 116.97 120.34 2aqe h TYR 78 Ca -0.05 0.02 0.15 0.00 2.58 0.00 0.00 58.73 61.42 2aqe h TYR 78 Cb 0.48 -0.22 -0.07 0.00 1.55 0.00 0.00 36.73 38.47 2aqe h TYR 78 CO -0.02 0.41 0.56 0.22 -1.32 0.00 0.00 178.16 178.01 2aqe h ASP 79 N 0.71 0.60 -0.49 -2.11 3.58 -1.32 0.40 116.42 117.79 2aqe h ASP 79 Ca 0.20 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.68 2aqe h ASP 79 Cb -0.05 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 40.89 2aqe h ASP 79 CO -0.06 0.30 0.25 0.15 -2.88 0.00 0.00 179.24 177.00 2aqe h PHE 80 N 0.63 0.70 -0.08 0.28 3.57 -0.79 0.15 116.94 121.40 2aqe h PHE 80 Ca 0.44 -0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.71 2aqe h PHE 80 Cb 0.76 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 2aqe h PHE 80 CO -0.00 0.54 -0.77 -0.07 -2.23 0.00 0.00 178.31 175.78 2aqe h LEU 81 N 0.65 0.56 0.48 0.59 3.38 -0.76 -2.27 115.31 117.94 2aqe h LEU 81 Ca 0.17 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 2aqe h LEU 81 Cb 0.09 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2aqe h LEU 81 CO -0.02 1.13 -0.23 0.40 0.09 0.00 0.00 178.44 179.81 2aqe h ILE 82 N 0.31 0.28 -0.15 1.22 1.08 -0.05 -2.71 117.51 117.48 2aqe h ILE 82 Ca -0.04 -0.52 -0.01 0.00 -0.39 0.00 0.00 64.86 63.91 2aqe h ILE 82 Cb 1.36 0.42 -0.01 0.00 -3.07 0.00 0.00 36.82 35.52 2aqe h ILE 82 CO 0.14 0.05 0.07 0.03 -0.69 0.00 0.00 178.15 177.74 2aqe h ARG 83 N -1.05 0.20 0.00 2.37 -0.00 -0.82 -3.43 114.38 111.65 2aqe h ARG 83 Ca -0.07 -0.02 -0.31 0.00 -0.50 0.00 0.00 59.98 59.09 2aqe h ARG 83 Cb 0.58 -0.04 0.08 0.00 0.00 0.00 0.00 29.97 30.58 2aqe h ARG 83 CO 0.11 0.16 0.14 0.39 0.00 0.00 0.00 179.97 180.77 2aqe n GLU 84 N -4.48 -0.19 -2.38 0.04 -0.58 -0.85 -4.96 120.64 107.24 2aqe n GLU 84 Ca -0.01 -1.73 -0.43 0.00 -0.42 0.00 0.00 57.16 54.58 2aqe n GLU 84 Cb 0.10 -0.60 0.00 0.00 -0.57 0.00 0.00 31.44 30.38 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 -0.47 4.79 1.48 0.62 0.00 -1.26 -4.51 105.19 105.83 2aqe n GLY 85 Ca 0.11 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.00 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 3.70 -0.56 -3.55 1.61 4.01 -1.18 -5.12 117.16 116.07 2aqe n TYR 86 Ca 0.39 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 58.23 2aqe n TYR 86 Cb 0.36 0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 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 -2.95 0.00 -4.03 -0.72 -5.35 -1.03 -4.99 119.36 100.28 2aqe n ILE 87 Ca 0.00 0.00 -0.18 0.00 -0.27 0.00 0.00 62.75 62.30 2aqe n ILE 87 Cb 0.00 -0.04 -0.16 0.00 -1.74 0.00 0.00 39.64 37.69 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 -0.12 0.34 -1.41 7.28 -4.23 -1.26 -4.67 115.64 111.56 2aqe s THR 88 Ca 0.00 -0.01 -0.15 0.00 -1.18 0.00 0.00 61.69 60.35 2aqe s THR 88 Cb 0.00 -0.40 0.05 0.00 1.34 0.00 0.00 72.50 73.49 2aqe s THR 88 CO 0.00 0.18 2.07 2.29 -0.54 0.00 0.00 174.62 178.62 2aqe n LYS 89 N 4.11 2.97 0.00 3.99 -0.00 -1.24 0.11 118.16 128.09 2aqe n LYS 89 Ca -0.26 -2.83 0.00 0.00 -0.00 0.00 0.00 58.31 55.22 2aqe n LYS 89 Cb 0.51 -3.35 0.00 0.00 -0.00 0.00 0.00 35.03 32.19 2aqe n LYS 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40