#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 6.81 -0.08 1.61 0.15 -1.26 -4.99 113.70 115.94 2aqe s SER 2 Ca 0.00 1.94 -0.01 0.00 0.70 0.00 0.00 55.95 58.58 2aqe s SER 2 Cb 0.00 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 61.80 2aqe s SER 2 CO 0.00 -0.85 -0.00 0.21 1.20 0.00 0.00 173.24 173.80 2aqe s ASN 3 N 2.65 1.66 0.57 5.45 3.84 -1.26 -5.14 114.94 122.71 2aqe s ASN 3 Ca 0.64 -0.12 -0.05 0.00 0.21 0.00 0.00 52.86 53.54 2aqe s ASN 3 Cb -0.27 -0.48 0.01 0.00 -0.55 0.00 0.00 41.25 39.96 2aqe s ASN 3 CO 0.22 -0.19 0.87 -0.55 -2.79 0.00 0.00 177.10 174.66 2aqe s SER 4 N 1.95 5.63 -0.02 -4.21 0.15 -1.26 -4.79 113.70 111.15 2aqe s SER 4 Ca 0.05 0.67 0.02 0.00 0.70 0.00 0.00 55.95 57.38 2aqe s SER 4 Cb -0.12 -1.69 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 2aqe s SER 4 CO -0.06 -1.02 -0.05 -0.83 1.20 0.00 0.00 173.24 172.48 2aqe s GLY 5 N -4.29 0.34 0.20 9.45 0.00 -1.26 -4.80 107.32 106.95 2aqe s GLY 5 Ca 0.53 -0.18 0.04 0.00 0.00 0.00 0.00 44.72 45.11 2aqe s GLY 5 CO 0.44 -0.01 -0.05 0.50 0.00 0.00 0.00 173.10 173.98 2aqe s ARG 6 N 0.19 1.23 -0.02 2.90 0.52 -1.26 -5.09 118.95 117.42 2aqe s ARG 6 Ca -0.02 -1.58 0.05 0.00 -0.52 0.00 0.00 55.73 53.65 2aqe s ARG 6 Cb -0.06 -0.66 -0.01 0.00 0.52 0.00 0.00 34.95 34.73 2aqe s ARG 6 CO -0.00 -0.01 -0.17 0.50 0.02 0.00 0.00 175.30 175.64 2aqe s ARG 7 N -3.80 1.55 0.00 3.54 3.52 -1.26 -5.02 118.95 117.48 2aqe s ARG 7 Ca 0.23 -0.62 0.00 0.00 -0.13 0.00 0.00 55.73 55.22 2aqe s ARG 7 Cb 0.04 -1.44 0.00 0.00 -1.56 0.00 0.00 34.95 31.99 2aqe s ARG 7 CO 0.05 0.32 0.00 0.43 -0.81 0.00 0.00 175.30 175.30 2aqe n SER 8 N 2.85 0.00 -4.75 -2.12 7.64 -1.26 -5.13 113.62 110.85 2aqe n SER 8 Ca -0.16 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.41 2aqe n SER 8 Cb 0.54 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.84 2aqe n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2aqe s ALA 9 N -1.13 2.07 -0.32 -0.43 0.00 -1.26 -4.92 121.76 115.77 2aqe s ALA 9 Ca 0.00 0.35 -0.29 0.00 0.00 0.00 0.00 51.96 52.02 2aqe s ALA 9 Cb 0.00 -3.32 -0.00 0.00 0.00 0.00 0.00 23.12 19.80 2aqe s ALA 9 CO 0.00 -2.00 1.41 -1.25 0.00 0.00 0.00 175.76 173.92 2aqe s PRO 10 N -4.83 3.78 0.00 0.00 0.04 -1.26 -5.01 135.00 127.72 2aqe s PRO 10 Ca 0.63 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2aqe s PRO 10 Cb -0.19 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.40 2aqe s PRO 10 CO 0.56 -1.30 0.00 -0.35 0.04 0.00 0.00 177.00 175.95 2aqe n PRO 11 N 7.63 1.18 0.00 0.56 -0.04 -1.26 -5.09 135.00 137.97 2aqe n PRO 11 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2aqe n PRO 11 Cb 0.47 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 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 -4.96 117.00 116.62 2aqe n LEU 12 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 56.01 56.03 2aqe n LEU 12 Cb 0.00 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 41.73 2aqe n LEU 12 CO 0.00 0.00 -0.55 0.59 -1.22 0.00 0.00 177.39 176.21 2aqe n ASN 13 N -0.81 2.69 -4.55 -1.43 4.13 -1.26 -4.83 115.26 109.20 2aqe n ASN 13 Ca 0.00 -0.07 -0.42 0.00 1.68 0.00 0.00 54.58 55.76 2aqe n ASN 13 Cb 0.00 1.37 -0.01 0.00 -1.54 0.00 0.00 39.78 39.59 2aqe n ASN 13 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2aqe s LEU 14 N -3.50 3.96 0.00 3.41 2.96 -1.26 -3.99 118.68 120.27 2aqe s LEU 14 Ca -0.03 -2.10 0.00 0.00 -0.22 0.00 0.00 54.13 51.78 2aqe s LEU 14 Cb 0.06 -2.54 0.00 0.00 0.50 0.00 0.00 46.19 44.21 2aqe s LEU 14 CO 0.37 -1.24 0.00 1.07 -1.32 0.00 0.00 176.35 175.23 2aqe n THR 15 N 6.30 0.00 -1.17 3.68 5.66 -1.26 -4.89 114.28 122.60 2aqe n THR 15 Ca 0.39 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.29 2aqe n THR 15 Cb 0.48 0.00 0.25 0.00 -1.55 0.00 0.00 70.33 69.51 2aqe n THR 15 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2aqe n GLY 16 N -1.15 4.15 3.80 1.09 0.00 -1.26 -4.96 105.19 106.86 2aqe n GLY 16 Ca 0.00 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.12 2.34 -0.13 0.99 1.43 -1.26 -5.10 118.68 113.83 2aqe s LEU 17 Ca 0.53 -1.59 -0.09 0.00 -1.03 0.00 0.00 54.13 51.95 2aqe s LEU 17 Cb 0.44 -0.81 -0.03 0.00 0.03 0.00 0.00 46.19 45.82 2aqe s LEU 17 CO 0.10 -0.92 -0.18 -0.81 0.23 0.00 0.00 176.35 174.77 2aqe n PRO 18 N -1.37 0.42 0.23 1.29 -0.04 -1.26 -4.22 135.00 130.04 2aqe n PRO 18 Ca -0.16 0.47 0.17 0.00 -0.04 0.00 0.00 63.50 63.93 2aqe n PRO 18 Cb 0.66 -1.58 0.73 0.00 -0.04 0.00 0.00 33.50 33.27 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 -0.91 0.00 -0.33 0.55 0.00 -1.99 -2.42 103.07 97.97 2aqe h GLY 19 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.48 2aqe h GLY 19 CO 0.00 0.00 -0.09 -0.84 0.00 0.00 0.00 176.54 175.61 2aqe h THR 20 N 0.00 0.34 0.00 4.70 2.02 -1.91 0.38 112.91 118.45 2aqe h THR 20 Ca 0.09 -0.01 -0.09 0.00 0.77 0.00 0.00 66.41 67.17 2aqe h THR 20 Cb 0.97 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2aqe h THR 20 CO -0.00 0.01 -0.41 -0.08 0.37 0.00 0.00 175.52 175.41 2aqe h GLU 21 N 0.04 0.00 0.00 6.66 4.81 -1.69 -2.74 114.58 121.66 2aqe h GLU 21 Ca 0.35 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.57 2aqe h GLU 21 Cb 0.58 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 2aqe h GLU 21 CO -0.67 0.41 -0.07 0.87 -0.73 0.00 0.00 179.01 178.82 2aqe h LYS 22 N 0.00 0.00 -6.23 1.92 1.57 -0.38 -3.42 116.57 110.03 2aqe h LYS 22 Ca -0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 2aqe h LYS 22 Cb 0.87 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.16 2aqe h LYS 22 CO 0.05 0.07 0.87 -0.51 -0.57 0.00 0.00 179.45 179.36 2aqe s LEU 23 N -6.47 4.24 1.12 2.94 1.43 -0.73 -4.99 118.68 116.22 2aqe s LEU 23 Ca -0.00 1.84 -0.19 0.00 -1.03 0.00 0.00 54.13 54.75 2aqe s LEU 23 Cb 0.10 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.88 2aqe s LEU 23 CO 0.55 -0.74 -0.05 0.59 0.23 0.00 0.00 176.35 176.94 2aqe n ASN 24 N 6.18 -2.40 -0.11 2.29 4.13 -1.26 -4.00 115.26 120.09 2aqe n ASN 24 Ca 0.14 -0.14 0.26 0.00 1.68 0.00 0.00 54.58 56.51 2aqe n ASN 24 Cb 0.45 -0.93 0.71 0.00 -1.54 0.00 0.00 39.78 38.47 2aqe n ASN 24 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2aqe h GLU 25 N -2.07 0.00 0.07 3.52 3.07 -1.94 0.14 114.58 117.38 2aqe h GLU 25 Ca -0.53 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.19 2aqe h GLU 25 Cb 1.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.27 2aqe h GLU 25 CO 0.38 0.00 -0.67 0.87 -1.40 0.00 0.00 179.01 178.19 2aqe h LYS 26 N 0.00 0.16 -0.43 2.33 1.57 -2.01 -3.32 116.57 114.87 2aqe h LYS 26 Ca 0.36 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2aqe h LYS 26 Cb 1.47 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.86 2aqe h LYS 26 CO -0.00 1.13 0.23 0.93 -0.57 0.00 0.00 179.45 181.17 2aqe h GLU 27 N -0.64 0.58 0.14 3.15 5.08 -1.53 -1.79 114.58 119.57 2aqe h GLU 27 Ca -0.14 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2aqe h GLU 27 Cb 1.41 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 2aqe h GLU 27 CO 0.05 0.43 -0.29 0.87 -1.00 0.00 0.00 179.01 179.08 2aqe h LYS 28 N 0.59 -0.45 -0.02 2.33 1.57 -0.87 -0.49 116.57 119.24 2aqe h LYS 28 Ca 0.15 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.97 2aqe h LYS 28 Cb 0.02 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 2aqe h LYS 28 CO -0.03 -0.30 0.02 1.49 -0.57 0.00 0.00 179.45 180.07 2aqe h GLU 29 N -0.46 0.00 -0.66 3.15 4.81 -1.63 -1.98 114.58 117.81 2aqe h GLU 29 Ca -0.01 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.30 2aqe h GLU 29 Cb 0.44 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.75 2aqe h GLU 29 CO -0.11 0.00 0.31 1.25 -0.73 0.00 0.00 179.01 179.73 2aqe h LEU 30 N 0.00 0.40 0.14 1.64 6.46 -0.20 -1.14 115.31 122.61 2aqe h LEU 30 Ca 0.01 0.06 -0.31 0.00 -0.12 0.00 0.00 57.88 57.52 2aqe h LEU 30 Cb 0.04 -0.01 0.03 0.00 -0.73 0.00 0.00 40.66 40.00 2aqe h LEU 30 CO -0.00 0.24 -1.29 0.00 -0.62 0.00 0.00 178.44 176.77 2aqe h GLN 32 N 0.25 0.00 0.00 0.00 4.20 -1.04 -2.38 115.11 116.15 2aqe h GLN 32 Ca -0.20 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.51 2aqe h GLN 32 Cb 1.97 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.75 2aqe h GLN 32 CO 0.25 0.00 -0.31 0.28 -0.67 0.00 0.00 178.83 178.38 2aqe h VAL 33 N 0.00 0.03 -2.22 -0.54 2.07 -1.18 -3.41 116.25 111.00 2aqe h VAL 33 Ca 0.13 -1.03 -0.74 0.00 0.82 0.00 0.00 66.70 65.88 2aqe h VAL 33 Cb 0.79 0.07 -0.18 0.00 -1.52 0.00 0.00 31.29 30.45 2aqe h VAL 33 CO -0.00 0.01 1.33 0.55 0.02 0.00 0.00 177.57 179.48 2aqe n VAL 34 N -4.68 4.27 -0.95 2.57 3.14 -0.93 -4.94 118.33 116.81 2aqe n VAL 34 Ca -0.05 -4.76 -0.17 0.00 -2.96 0.00 0.00 64.34 56.40 2aqe n VAL 34 Cb 0.17 -2.47 -0.13 0.00 -1.06 0.00 0.00 33.84 30.34 2aqe n VAL 34 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 2aqe n ARG 35 N 5.47 0.00 -1.88 1.45 -4.01 -0.98 -4.66 116.66 112.05 2aqe n ARG 35 Ca 0.36 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.17 2aqe n ARG 35 Cb 0.42 -0.72 0.00 0.00 -3.04 0.00 0.00 32.46 29.12 2aqe n ARG 35 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 2aqe n LEU 36 N 4.39 0.00 -4.69 2.89 4.77 -1.25 -5.03 117.00 118.08 2aqe n LEU 36 Ca 0.43 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 56.14 2aqe n LEU 36 Cb 0.07 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.09 2aqe n LEU 36 CO 0.67 0.00 -0.31 -0.69 -1.33 0.00 0.00 177.39 175.73 2aqe s VAL 37 N -1.58 3.87 -0.00 4.08 1.01 -1.26 -4.42 120.40 122.10 2aqe s VAL 37 Ca 0.00 -1.32 -0.03 0.00 0.00 0.00 0.00 61.98 60.63 2aqe s VAL 37 Cb 0.00 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 2aqe s VAL 37 CO 0.00 -0.08 0.55 -0.65 0.00 0.00 0.00 175.10 174.92 2aqe h PRO 38 N 2.74 -0.10 -0.88 2.72 0.11 -1.93 0.22 132.00 134.88 2aqe h PRO 38 Ca -0.47 0.01 0.20 0.00 0.11 0.00 0.00 66.00 65.85 2aqe h PRO 38 Cb 1.20 0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 2aqe h PRO 38 CO 0.59 -0.07 0.59 0.78 -0.21 0.00 0.00 178.00 179.68 2aqe h GLY 39 N -0.18 0.74 0.55 -0.55 0.00 -1.95 0.17 103.07 101.87 2aqe h GLY 39 Ca -0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 2aqe h GLY 39 CO 0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 176.54 176.53 2aqe h ALA 40 N 1.61 -0.08 -0.43 3.60 0.00 -1.98 -2.16 119.26 119.83 2aqe h ALA 40 Ca 0.45 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.21 2aqe h ALA 40 Cb 1.20 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 2aqe h ALA 40 CO -0.15 -0.32 0.09 -0.92 0.00 0.00 0.00 179.25 177.95 2aqe h TYR 41 N -0.53 0.14 -0.74 0.00 5.03 0.12 0.19 116.97 121.17 2aqe h TYR 41 Ca -0.01 0.03 0.15 0.00 2.58 0.00 0.00 58.73 61.48 2aqe h TYR 41 Cb 0.46 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 38.70 2aqe h TYR 41 CO 0.07 0.01 0.50 -0.07 -1.32 0.00 0.00 178.16 177.35 2aqe h LEU 42 N 0.22 0.37 0.30 2.82 3.38 -0.70 0.18 115.31 121.87 2aqe h LEU 42 Ca 0.21 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2aqe h LEU 42 Cb 0.25 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2aqe h LEU 42 CO -0.27 0.19 -0.14 -0.33 0.09 0.00 0.00 178.44 177.98 2aqe h GLU 43 N 0.39 -0.39 -0.30 1.13 5.08 -0.04 -2.55 114.58 117.91 2aqe h GLU 43 Ca 0.36 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.82 2aqe h GLU 43 Cb 0.86 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 30.12 2aqe h GLU 43 CO -0.11 -0.26 -0.32 1.88 -1.00 0.00 0.00 179.01 179.20 2aqe h TYR 44 N -0.90 -0.90 -0.87 4.33 0.05 -0.70 -0.02 116.97 117.96 2aqe h TYR 44 Ca -0.04 0.05 0.18 0.00 0.05 0.00 0.00 58.73 58.97 2aqe h TYR 44 Cb 0.31 0.44 -0.11 0.00 1.01 0.00 0.00 36.73 38.38 2aqe h TYR 44 CO 0.02 -0.39 0.42 -0.22 -1.05 0.00 0.00 178.16 176.94 2aqe h LYS 45 N -0.31 0.50 -0.74 4.88 3.64 -0.77 0.27 116.57 124.04 2aqe h LYS 45 Ca 0.14 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 2aqe h LYS 45 Cb 0.54 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 2aqe h LYS 45 CO -0.47 0.33 0.49 0.77 -2.27 0.00 0.00 179.45 178.31 2aqe h SER 46 N 0.52 0.80 0.55 4.20 0.02 -0.56 -0.82 113.55 118.25 2aqe h SER 46 Ca 0.51 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.37 2aqe h SER 46 Cb 0.85 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2aqe h SER 46 CO -0.44 0.56 -0.36 0.00 -1.14 0.00 0.00 176.83 175.45 2aqe h ALA 47 N 1.56 1.20 -0.03 3.77 0.00 0.06 -2.29 119.26 123.53 2aqe h ALA 47 Ca 0.29 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2aqe h ALA 47 Cb 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2aqe h ALA 47 CO -0.08 0.45 -0.09 -0.07 0.00 0.00 0.00 179.25 179.46 2aqe h LEU 48 N 0.00 0.12 -1.17 0.00 3.38 -0.58 -2.26 115.31 114.81 2aqe h LEU 48 Ca -0.00 -0.63 -0.07 0.00 0.09 0.00 0.00 57.88 57.27 2aqe h LEU 48 Cb 0.73 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2aqe h LEU 48 CO 0.05 0.73 -0.18 0.25 0.09 0.00 0.00 178.44 179.38 2aqe h LEU 49 N -0.48 0.35 -0.22 1.67 5.85 -1.40 0.16 115.31 121.25 2aqe h LEU 49 Ca -0.00 -0.09 -0.19 0.00 0.84 0.00 0.00 57.88 58.43 2aqe h LEU 49 Cb 0.72 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 2aqe h LEU 49 CO 0.02 0.55 -0.90 -1.13 -0.34 0.00 0.00 178.44 176.64 2aqe h ASN 50 N 0.34 0.06 0.07 1.25 -0.73 -1.45 -2.61 115.58 112.51 2aqe h ASN 50 Ca 0.06 -0.05 -0.28 0.00 1.87 0.00 0.00 56.30 57.90 2aqe h ASN 50 Cb 0.51 -0.02 -0.02 0.00 0.27 0.00 0.00 38.32 39.06 2aqe h ASN 50 CO 0.03 0.92 -1.52 -0.08 -0.37 0.00 0.00 177.43 176.41 2aqe h GLU 51 N 0.02 0.16 -0.54 6.67 4.81 -1.22 -2.42 114.58 122.06 2aqe h GLU 51 Ca -0.02 -0.27 0.07 0.00 -0.13 0.00 0.00 59.36 59.02 2aqe h GLU 51 Cb 1.58 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 31.00 2aqe h GLU 51 CO 0.12 1.13 0.21 0.00 -0.73 0.00 0.00 179.01 179.74 2aqe h HIS 53 N 0.40 1.11 -0.14 0.00 -0.00 -1.61 0.87 115.15 115.79 2aqe h HIS 53 Ca 0.26 -0.35 0.05 0.00 -0.00 0.00 0.00 60.37 60.33 2aqe h HIS 53 Cb 0.27 -0.23 -0.06 0.00 -0.00 0.00 0.00 27.41 27.39 2aqe h HIS 53 CO -0.15 1.18 -0.29 0.87 -0.00 0.00 0.00 177.93 179.54 2aqe h LYS 54 N 0.73 -0.35 0.00 5.26 1.57 -0.75 -2.43 116.57 120.60 2aqe h LYS 54 Ca 0.05 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2aqe h LYS 54 Cb 1.03 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2aqe h LYS 54 CO 0.10 -0.23 -0.77 1.96 -0.57 0.00 0.00 179.45 179.94 2aqe h GLN 55 N -0.36 0.00 0.00 3.15 1.08 -1.18 -3.49 115.11 114.30 2aqe h GLN 55 Ca 0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 2aqe h GLN 55 Cb 0.52 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 2aqe h GLN 55 CO -0.34 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 177.95 2aqe n GLY 56 N 1.17 2.30 3.28 3.46 0.00 0.30 -5.03 105.19 110.68 2aqe n GLY 56 Ca 0.01 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 45.11 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 1.43 -0.08 -0.02 0.00 -1.08 -4.17 107.32 103.40 2aqe s GLY 57 Ca 0.00 -1.70 -0.03 0.00 0.00 0.00 0.00 44.72 42.99 2aqe s GLY 57 CO 0.00 -1.58 0.15 -2.27 0.00 0.00 0.00 173.10 169.40 2aqe s LEU 58 N -3.24 0.22 0.33 0.66 0.20 -0.37 -4.62 118.68 111.86 2aqe s LEU 58 Ca 0.28 0.32 -0.29 0.00 0.69 0.00 0.00 54.13 55.13 2aqe s LEU 58 Cb 0.06 0.30 -0.10 0.00 -0.43 0.00 0.00 46.19 46.02 2aqe s LEU 58 CO 0.07 -0.21 1.36 -0.60 -0.29 0.00 0.00 176.35 176.68 2aqe s ARG 59 N 1.88 4.29 0.60 1.98 3.52 -1.26 -3.55 118.95 126.41 2aqe s ARG 59 Ca -0.01 2.30 0.29 0.00 -0.13 0.00 0.00 55.73 58.17 2aqe s ARG 59 Cb -0.12 -3.05 1.54 0.00 -1.56 0.00 0.00 34.95 31.75 2aqe s ARG 59 CO -0.06 -0.28 1.95 1.25 -0.81 0.00 0.00 175.30 177.35 2aqe h LEU 60 N 3.46 0.00 0.54 -0.88 5.85 -1.92 -1.99 115.31 120.36 2aqe h LEU 60 Ca -0.49 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.20 2aqe h LEU 60 Cb 1.23 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.26 2aqe h LEU 60 CO 0.66 0.00 -0.26 0.00 -0.34 0.00 0.00 178.44 178.51 2aqe h ALA 61 N 1.52 -0.72 -0.87 1.25 0.00 -2.01 -2.26 119.26 116.17 2aqe h ALA 61 Ca 0.16 -0.19 0.24 0.00 0.00 0.00 0.00 54.91 55.12 2aqe h ALA 61 Cb 0.96 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 2aqe h ALA 61 CO -0.00 -0.75 0.62 1.96 0.00 0.00 0.00 179.25 181.07 2aqe h GLN 62 N -1.02 0.07 -0.61 0.00 4.20 -1.74 0.41 115.11 116.41 2aqe h GLN 62 Ca -0.07 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 2aqe h GLN 62 Cb 0.63 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 2aqe h GLN 62 CO 0.12 0.05 0.17 0.00 -0.67 0.00 0.00 178.83 178.50 2aqe h ALA 63 N 1.58 0.81 -0.92 3.87 0.00 -1.16 0.22 119.26 123.65 2aqe h ALA 63 Ca 0.42 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.15 2aqe h ALA 63 Cb 1.57 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 2aqe h ALA 63 CO -0.04 0.50 0.59 0.00 0.00 0.00 0.00 179.25 180.30 2aqe h ARG 64 N 0.89 1.12 -0.03 0.00 2.47 0.39 -1.12 114.38 118.09 2aqe h ARG 64 Ca 0.19 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 2aqe h ARG 64 Cb 0.32 -0.25 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 2aqe h ARG 64 CO -0.00 0.74 0.00 0.00 0.56 0.00 0.00 179.97 181.27 2aqe n ALA 65 N -2.35 2.57 -0.75 0.04 0.00 -0.99 -4.52 120.51 114.49 2aqe n ALA 65 Ca 0.12 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2aqe n ALA 65 Cb 0.09 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 1.12 0.00 0.00 7.94 0.74 -5.03 117.00 121.97 2aqe n LEU 66 Ca 0.19 0.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.15 2aqe n LEU 66 Cb 0.36 -0.12 0.00 0.00 0.53 0.00 0.00 43.42 44.18 2aqe n LEU 66 CO 0.16 -0.12 0.00 2.30 -1.11 0.00 0.00 177.39 178.62 2aqe n ILE 67 N -1.31 0.00 -2.14 1.96 -5.35 -1.17 -4.94 119.36 106.41 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 -1.45 0.00 0.00 -1.74 0.00 0.00 39.64 36.45 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 -0.85 0.00 0.00 6.28 4.76 -1.26 -4.74 118.16 122.34 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 -5.05 119.36 112.87 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 -0.86 0.00 0.02 7.28 2.03 -1.26 -5.01 116.55 118.75 2aqe n ASP 70 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2aqe n ASP 70 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2aqe n ASP 70 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2aqe n VAL 71 N -0.70 0.00 -0.06 5.18 0.24 -1.26 -4.77 118.33 116.96 2aqe n VAL 71 Ca 0.00 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.39 2aqe n VAL 71 Cb 0.00 0.00 0.46 0.00 -1.47 0.00 0.00 33.84 32.83 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 0.43 0.28 -1.34 -0.26 -1.96 0.67 115.58 113.39 2aqe h ASN 72 Ca 0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2aqe h ASN 72 Cb 0.00 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.15 2aqe h ASN 72 CO 0.00 0.28 -0.26 0.11 -1.06 0.00 0.00 177.43 176.50 2aqe h LYS 73 N 0.49 -0.54 -0.42 0.81 6.56 -1.98 -1.18 116.57 120.31 2aqe h LYS 73 Ca 0.23 0.04 -0.08 0.00 -1.06 0.00 0.00 60.65 59.77 2aqe h LYS 73 Cb 0.29 0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 32.06 2aqe h LYS 73 CO -0.06 -0.36 -0.07 1.15 -2.06 0.00 0.00 179.45 178.05 2aqe h THR 74 N -0.56 1.27 -0.58 -0.16 2.02 -1.69 -2.31 112.91 110.90 2aqe h THR 74 Ca -0.01 -1.15 0.17 0.00 0.77 0.00 0.00 66.41 66.19 2aqe h THR 74 Cb 0.51 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 2aqe h THR 74 CO -0.04 0.39 0.68 -0.09 0.37 0.00 0.00 175.52 176.82 2aqe h ARG 75 N 0.61 0.00 0.00 6.66 2.43 0.76 0.22 114.38 125.06 2aqe h ARG 75 Ca 0.11 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 2aqe h ARG 75 Cb 0.58 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2aqe h ARG 75 CO 0.03 0.00 -0.28 0.87 -1.51 0.00 0.00 179.97 179.08 2aqe h LYS 76 N 0.00 0.00 0.03 0.20 1.79 -0.66 -2.48 116.57 115.46 2aqe h LYS 76 Ca 0.28 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.75 2aqe h LYS 76 Cb 1.63 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.26 2aqe h LYS 76 CO -0.00 0.05 -0.07 0.82 -1.08 0.00 0.00 179.45 179.17 2aqe h ILE 77 N -1.00 0.82 -0.44 1.86 2.04 -1.19 -2.69 117.51 116.92 2aqe h ILE 77 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 2aqe h ILE 77 Cb 0.31 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 2aqe h ILE 77 CO -0.01 0.00 0.26 1.88 0.00 0.00 0.00 178.15 180.28 2aqe h TYR 78 N -0.14 0.59 -0.85 1.37 0.05 -0.77 -2.46 116.97 114.75 2aqe h TYR 78 Ca 0.02 -0.01 0.18 0.00 0.05 0.00 0.00 58.73 58.98 2aqe h TYR 78 Cb 0.16 -0.19 -0.11 0.00 1.01 0.00 0.00 36.73 37.60 2aqe h TYR 78 CO -0.12 0.43 0.38 0.22 -1.05 0.00 0.00 178.16 178.01 2aqe h ASP 79 N 0.58 0.36 0.18 3.88 1.82 -1.20 0.30 116.42 122.34 2aqe h ASP 79 Ca 0.16 0.13 -0.01 0.00 -0.39 0.00 0.00 57.03 56.92 2aqe h ASP 79 Cb 0.02 0.10 -0.00 0.00 0.68 0.00 0.00 39.33 40.12 2aqe h ASP 79 CO -0.03 0.08 -0.10 0.15 -1.61 0.00 0.00 179.24 177.73 2aqe h PHE 80 N 0.46 -0.25 -0.71 0.28 3.57 -1.12 0.15 116.94 119.32 2aqe h PHE 80 Ca 0.50 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.94 2aqe h PHE 80 Cb 0.86 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 2aqe h PHE 80 CO -0.14 -0.15 0.23 -0.07 -2.23 0.00 0.00 178.31 175.95 2aqe h LEU 81 N -0.26 1.03 0.38 0.59 3.38 -0.92 0.10 115.31 119.62 2aqe h LEU 81 Ca -0.02 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 2aqe h LEU 81 Cb 0.21 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2aqe h LEU 81 CO 0.03 0.96 -0.18 0.40 0.09 0.00 0.00 178.44 179.74 2aqe h ILE 82 N 1.04 0.63 0.00 1.22 1.08 -0.25 -2.47 117.51 118.76 2aqe h ILE 82 Ca 0.23 -0.24 -0.04 0.00 -0.39 0.00 0.00 64.86 64.42 2aqe h ILE 82 Cb 0.29 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 2aqe h ILE 82 CO -0.01 0.05 -0.19 0.03 -0.69 0.00 0.00 178.15 177.34 2aqe h ARG 83 N -0.65 0.00 0.00 2.37 -0.00 -0.92 -3.43 114.38 111.74 2aqe h ARG 83 Ca -0.05 0.00 -0.25 0.00 -0.50 0.00 0.00 59.98 59.17 2aqe h ARG 83 Cb 0.47 0.00 0.06 0.00 0.00 0.00 0.00 29.97 30.50 2aqe h ARG 83 CO 0.09 0.19 0.10 0.39 0.00 0.00 0.00 179.97 180.73 2aqe n GLU 84 N -3.39 0.04 -1.45 0.04 -0.58 0.36 -4.95 120.64 110.71 2aqe n GLU 84 Ca -0.00 -1.44 -0.26 0.00 -0.42 0.00 0.00 57.16 55.04 2aqe n GLU 84 Cb 0.39 -0.44 -0.06 0.00 -0.57 0.00 0.00 31.44 30.76 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 0.65 4.28 0.61 0.62 0.00 -1.26 -4.44 105.19 105.65 2aqe n GLY 85 Ca 0.09 -1.83 -0.01 0.00 0.00 0.00 0.00 46.02 44.27 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 0.93 0.00 -1.54 1.61 4.01 -1.20 -5.11 117.16 115.86 2aqe n TYR 86 Ca 0.48 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.22 2aqe n TYR 86 Cb 0.57 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 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 -2.83 0.00 -3.57 -0.72 -5.35 -0.95 -4.96 119.36 100.98 2aqe n ILE 87 Ca -0.01 0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.46 2aqe n ILE 87 Cb 0.05 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.95 2aqe n ILE 87 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 2aqe n THR 88 N 0.00 0.00 -3.44 7.28 5.66 -1.26 -4.66 114.28 117.85 2aqe n THR 88 Ca 0.00 -0.05 -0.25 0.00 -3.05 0.00 0.00 64.05 60.70 2aqe n THR 88 Cb 0.00 0.08 -0.11 0.00 -1.55 0.00 0.00 70.33 68.75 2aqe n THR 88 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 2aqe s LYS 89 N -2.00 0.49 0.00 1.09 -2.85 -1.23 -1.24 119.74 114.00 2aqe s LYS 89 Ca 0.03 -0.98 0.00 0.00 -1.00 0.00 0.00 55.97 54.01 2aqe s LYS 89 Cb -0.00 -1.07 0.00 0.00 -2.06 0.00 0.00 37.83 34.69 2aqe s LYS 89 CO 0.00 -1.16 0.00 0.00 0.10 0.00 0.00 175.35 174.29