#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 5.87 0.15 1.61 0.01 -1.26 -5.10 113.70 114.99 2aqe s SER 2 Ca 0.00 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.45 2aqe s SER 2 Cb 0.00 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.26 2aqe s SER 2 CO 0.00 0.24 0.00 0.59 0.41 0.00 0.00 173.24 174.48 2aqe n ASN 3 N 3.13 -0.17 -3.82 2.44 4.13 -1.26 -5.08 115.26 114.64 2aqe n ASN 3 Ca -0.17 -0.07 -0.12 0.00 1.68 0.00 0.00 54.58 55.89 2aqe n ASN 3 Cb 0.53 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.65 2aqe n ASN 3 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2aqe s SER 4 N -1.53 -0.15 -0.59 6.41 0.01 -1.26 -5.06 113.70 111.53 2aqe s SER 4 Ca 0.00 0.25 0.03 0.00 1.31 0.00 0.00 55.95 57.54 2aqe s SER 4 Cb 0.00 0.34 0.39 0.00 0.21 0.00 0.00 66.02 66.96 2aqe s SER 4 CO 0.00 -0.13 1.31 0.61 0.41 0.00 0.00 173.24 175.44 2aqe n GLY 5 N 2.64 5.85 3.56 3.44 0.00 -1.26 -5.01 105.19 114.42 2aqe n GLY 5 Ca -0.15 -2.70 -0.06 0.00 0.00 0.00 0.00 46.02 43.11 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 -3.69 0.64 0.38 1.61 3.52 -1.26 -4.76 118.95 115.38 2aqe s ARG 6 Ca 0.48 -0.26 -0.14 0.00 -0.13 0.00 0.00 55.73 55.68 2aqe s ARG 6 Cb 0.37 0.28 0.05 0.00 -1.56 0.00 0.00 34.95 34.09 2aqe s ARG 6 CO -0.22 -0.28 0.75 0.50 -0.81 0.00 0.00 175.30 175.23 2aqe s ARG 7 N -2.84 2.18 -0.44 5.12 3.52 -1.26 -5.11 118.95 120.13 2aqe s ARG 7 Ca 0.08 -1.46 -0.29 0.00 -0.13 0.00 0.00 55.73 53.93 2aqe s ARG 7 Cb -0.01 0.60 0.02 0.00 -1.56 0.00 0.00 34.95 34.00 2aqe s ARG 7 CO -0.06 -1.01 1.33 0.45 -0.81 0.00 0.00 175.30 175.20 2aqe s SER 8 N -3.09 6.42 0.00 -2.12 0.15 -1.26 -4.94 113.70 108.86 2aqe s SER 8 Ca 0.17 0.70 -0.29 0.00 0.70 0.00 0.00 55.95 57.23 2aqe s SER 8 Cb -0.05 -2.54 0.10 0.00 -1.71 0.00 0.00 66.02 61.82 2aqe s SER 8 CO 0.12 -1.39 1.08 0.00 1.20 0.00 0.00 173.24 174.25 2aqe s ALA 9 N 5.17 -1.94 -0.27 5.45 0.00 -1.26 -5.10 121.76 123.82 2aqe s ALA 9 Ca 0.57 0.78 -0.34 0.00 0.00 0.00 0.00 51.96 52.97 2aqe s ALA 9 Cb -0.11 0.36 -0.11 0.00 0.00 0.00 0.00 23.12 23.26 2aqe s ALA 9 CO 0.32 -0.87 2.10 -2.30 0.00 0.00 0.00 175.76 175.01 2aqe n PRO 10 N -0.35 1.46 -1.91 0.00 -0.02 -1.26 -4.81 135.00 128.11 2aqe n PRO 10 Ca -0.06 0.45 -0.36 0.00 -2.02 0.00 0.00 63.50 61.51 2aqe n PRO 10 Cb 0.61 -2.60 -0.04 0.00 -0.02 0.00 0.00 33.50 31.44 2aqe n PRO 10 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2aqe n PRO 11 N 7.77 1.99 0.00 0.52 -0.02 -1.26 -4.73 135.00 139.27 2aqe n PRO 11 Ca 0.34 -2.48 0.00 0.00 -2.02 0.00 0.00 63.50 59.34 2aqe n PRO 11 Cb 0.27 -3.45 0.00 0.00 -0.02 0.00 0.00 33.50 30.31 2aqe n PRO 11 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2aqe n LEU 12 N 10.81 0.00 0.16 2.45 7.99 -1.26 -4.74 117.00 132.41 2aqe n LEU 12 Ca 0.47 0.00 0.12 0.00 -0.01 0.00 0.00 56.01 56.59 2aqe n LEU 12 Cb 0.44 0.00 0.59 0.00 -0.11 0.00 0.00 43.42 44.34 2aqe n LEU 12 CO 0.81 -0.73 0.85 -1.13 -1.51 0.00 0.00 177.39 175.68 2aqe h ASN 13 N -0.64 0.00 -0.75 -1.43 -0.73 -1.92 -2.67 115.58 107.44 2aqe h ASN 13 Ca 0.00 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 2aqe h ASN 13 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.55 2aqe h ASN 13 CO 0.00 0.00 0.44 0.25 -0.37 0.00 0.00 177.43 177.75 2aqe h LEU 14 N 0.00 0.91 -8.28 0.34 5.85 -1.87 -3.37 115.31 108.89 2aqe h LEU 14 Ca 0.00 -0.07 -0.35 0.00 0.84 0.00 0.00 57.88 58.30 2aqe h LEU 14 Cb 0.11 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 2aqe h LEU 14 CO 0.00 0.71 1.37 1.07 -0.34 0.00 0.00 178.44 181.25 2aqe n THR 15 N -4.50 -0.03 0.00 1.05 5.66 -1.01 0.52 114.28 115.98 2aqe n THR 15 Ca 0.07 -0.47 0.00 0.00 -3.05 0.00 0.00 64.05 60.60 2aqe n THR 15 Cb 0.06 -1.50 0.00 0.00 -1.55 0.00 0.00 70.33 67.34 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 6.23 2.14 3.79 1.09 0.00 -1.26 -5.03 105.19 112.16 2aqe n GLY 16 Ca 0.53 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.26 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 2.07 0.00 0.99 1.43 0.19 -5.01 118.68 118.35 2aqe s LEU 17 Ca 0.00 0.98 0.00 0.00 -1.03 0.00 0.00 54.13 54.08 2aqe s LEU 17 Cb 0.00 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 42.89 2aqe s LEU 17 CO 0.00 -2.48 0.38 -0.81 0.23 0.00 0.00 176.35 173.67 2aqe n PRO 18 N -3.72 0.00 0.13 1.29 -0.04 -1.26 -3.48 135.00 127.93 2aqe n PRO 18 Ca 0.07 0.01 0.17 0.00 -0.04 0.00 0.00 63.50 63.70 2aqe n PRO 18 Cb 0.59 -0.88 0.54 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 -0.80 0.55 0.00 -1.96 -2.01 103.07 98.86 2aqe h GLY 19 Ca 0.00 0.00 0.38 0.00 0.00 0.00 0.00 47.33 47.71 2aqe h GLY 19 CO 0.00 0.00 0.81 -0.84 0.00 0.00 0.00 176.54 176.51 2aqe h THR 20 N 0.00 0.26 0.00 4.70 2.02 -1.84 1.37 112.91 119.41 2aqe h THR 20 Ca 0.17 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 2aqe h THR 20 Cb 1.60 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 68.08 2aqe h THR 20 CO -0.00 0.03 -0.44 -0.08 0.37 0.00 0.00 175.52 175.40 2aqe h GLU 21 N 0.17 0.00 0.00 6.66 4.81 -1.56 -3.27 114.58 121.39 2aqe h GLU 21 Ca 0.74 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.84 2aqe h GLU 21 Cb 2.27 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.62 2aqe h GLU 21 CO -0.35 0.06 -0.98 0.87 -0.73 0.00 0.00 179.01 177.88 2aqe h LYS 22 N 0.00 0.00 -6.24 1.92 1.57 0.15 -3.45 116.57 110.52 2aqe h LYS 22 Ca -0.01 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.22 2aqe h LYS 22 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2aqe h LYS 22 CO 0.01 0.36 1.25 -0.51 -0.57 0.00 0.00 179.45 179.99 2aqe s LEU 23 N -6.05 4.08 1.03 2.94 1.43 0.39 -4.93 118.68 117.57 2aqe s LEU 23 Ca 0.00 2.23 -0.18 0.00 -1.03 0.00 0.00 54.13 55.15 2aqe s LEU 23 Cb 0.08 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.76 2aqe s LEU 23 CO 0.78 -1.29 -0.30 0.59 0.23 0.00 0.00 176.35 176.36 2aqe n ASN 24 N 8.64 -3.03 -0.17 2.29 3.02 -1.26 -3.49 115.26 121.26 2aqe n ASN 24 Ca 0.22 0.08 0.26 0.00 -0.03 0.00 0.00 54.58 55.11 2aqe n ASN 24 Cb 0.43 -0.92 0.69 0.00 -0.61 0.00 0.00 39.78 39.37 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 -1.55 0.06 0.11 3.52 4.39 -1.96 0.83 114.58 119.98 2aqe h GLU 25 Ca -0.46 -0.00 -0.31 0.00 0.34 0.00 0.00 59.36 58.93 2aqe h GLU 25 Cb 1.33 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.96 2aqe h GLU 25 CO 0.31 0.04 -1.56 0.87 -1.16 0.00 0.00 179.01 177.51 2aqe h LYS 26 N 0.06 0.22 -0.03 2.33 1.79 -2.01 -3.32 116.57 115.61 2aqe h LYS 26 Ca 0.41 -0.38 -0.23 0.00 -2.18 0.00 0.00 60.65 58.27 2aqe h LYS 26 Cb 1.53 0.14 0.01 0.00 -1.58 0.00 0.00 32.23 32.33 2aqe h LYS 26 CO -0.03 1.07 -0.91 0.93 -1.08 0.00 0.00 179.45 179.42 2aqe h GLU 27 N 0.06 0.55 -0.49 3.15 5.08 -1.12 -2.06 114.58 119.75 2aqe h GLU 27 Ca -0.25 -0.54 0.09 0.00 -1.00 0.00 0.00 59.36 57.66 2aqe h GLU 27 Cb 2.01 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 31.32 2aqe h GLU 27 CO 0.15 1.17 0.02 -0.22 -1.00 0.00 0.00 179.01 179.12 2aqe h LYS 28 N 0.33 0.13 -0.04 2.33 3.64 0.53 0.40 116.57 123.89 2aqe h LYS 28 Ca -0.08 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.13 2aqe h LYS 28 Cb 1.55 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.32 2aqe h LYS 28 CO 0.17 0.09 -0.67 0.93 -2.27 0.00 0.00 179.45 177.69 2aqe h GLU 29 N 0.13 0.19 -0.87 1.90 5.08 -1.65 -1.91 114.58 117.45 2aqe h GLU 29 Ca 0.25 -0.15 0.09 0.00 -1.00 0.00 0.00 59.36 58.55 2aqe h GLU 29 Cb 0.36 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 2aqe h GLU 29 CO -0.39 0.79 0.56 1.25 -1.00 0.00 0.00 179.01 180.22 2aqe h LEU 30 N 0.13 0.78 0.17 1.33 6.46 -0.23 0.12 115.31 124.07 2aqe h LEU 30 Ca -0.01 0.02 -0.26 0.00 -0.12 0.00 0.00 57.88 57.51 2aqe h LEU 30 Cb 1.21 -0.14 0.02 0.00 -0.73 0.00 0.00 40.66 41.01 2aqe h LEU 30 CO 0.10 0.47 -1.18 0.00 -0.62 0.00 0.00 178.44 177.21 2aqe h GLN 32 N -0.18 0.60 0.34 0.00 4.20 -0.79 -1.46 115.11 117.82 2aqe h GLN 32 Ca -0.22 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.44 2aqe h GLN 32 Cb 1.85 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.50 2aqe h GLN 32 CO 0.17 0.40 -0.16 0.28 -0.67 0.00 0.00 178.83 178.85 2aqe h VAL 33 N 0.62 0.62 -1.05 -0.54 2.07 -0.87 -3.26 116.25 113.84 2aqe h VAL 33 Ca 0.34 -0.60 -0.73 0.00 0.82 0.00 0.00 66.70 66.52 2aqe h VAL 33 Cb 0.33 0.90 -0.12 0.00 -1.52 0.00 0.00 31.29 30.88 2aqe h VAL 33 CO -0.25 0.11 2.27 0.52 0.02 0.00 0.00 177.57 180.23 2aqe n VAL 34 N -5.14 4.04 -0.96 2.57 0.31 -0.76 -4.93 118.33 113.46 2aqe n VAL 34 Ca -0.09 -4.02 -0.23 0.00 -0.01 0.00 0.00 64.34 59.99 2aqe n VAL 34 Cb 0.27 -2.44 -0.11 0.00 -0.91 0.00 0.00 33.84 30.65 2aqe n VAL 34 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2aqe n ARG 35 N 5.17 0.00 -3.69 5.55 1.85 -0.61 -4.61 116.66 120.33 2aqe n ARG 35 Ca 0.44 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 57.17 2aqe n ARG 35 Cb 0.39 -0.86 -0.06 0.00 -1.05 0.00 0.00 32.46 30.88 2aqe n ARG 35 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2aqe s LEU 36 N 4.04 0.56 0.36 2.89 0.20 -1.21 -5.03 118.68 120.49 2aqe s LEU 36 Ca 0.86 -0.17 -0.28 0.00 0.69 0.00 0.00 54.13 55.23 2aqe s LEU 36 Cb -0.73 1.64 -0.10 0.00 -0.43 0.00 0.00 46.19 46.58 2aqe s LEU 36 CO 0.33 -0.71 1.31 -0.69 -0.29 0.00 0.00 176.35 176.30 2aqe s VAL 37 N -2.95 2.66 0.06 1.68 1.01 -1.26 -4.63 120.40 116.97 2aqe s VAL 37 Ca -0.02 0.64 -0.29 0.00 0.00 0.00 0.00 61.98 62.31 2aqe s VAL 37 Cb 0.00 -3.40 -0.15 0.00 0.00 0.00 0.00 36.38 32.84 2aqe s VAL 37 CO -0.06 0.13 1.44 -0.65 0.00 0.00 0.00 175.10 175.96 2aqe h PRO 38 N 3.11 -0.88 -0.99 2.72 0.11 -1.94 0.29 132.00 134.42 2aqe h PRO 38 Ca -0.49 0.06 0.17 0.00 0.11 0.00 0.00 66.00 65.85 2aqe h PRO 38 Cb 1.23 0.20 -0.09 0.00 0.11 0.00 0.00 31.00 32.45 2aqe h PRO 38 CO 0.64 -0.59 0.61 0.78 -0.21 0.00 0.00 178.00 179.24 2aqe h GLY 39 N -0.91 1.60 0.89 -0.55 0.00 -1.92 0.69 103.07 102.87 2aqe h GLY 39 Ca -0.08 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 2aqe h GLY 39 CO 0.05 0.02 0.05 0.00 0.00 0.00 0.00 176.54 176.66 2aqe h ALA 40 N 1.61 0.13 0.14 3.60 0.00 -1.83 0.07 119.26 122.98 2aqe h ALA 40 Ca 0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 2aqe h ALA 40 Cb 0.80 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2aqe h ALA 40 CO -0.31 -0.31 -0.07 -0.92 0.00 0.00 0.00 179.25 177.65 2aqe h TYR 41 N 0.03 -0.18 -0.89 0.00 5.03 0.14 -0.59 116.97 120.52 2aqe h TYR 41 Ca 0.03 -0.00 0.22 0.00 2.58 0.00 0.00 58.73 61.56 2aqe h TYR 41 Cb 0.13 0.06 -0.06 0.00 1.55 0.00 0.00 36.73 38.41 2aqe h TYR 41 CO -0.03 0.07 0.60 -0.07 -1.32 0.00 0.00 178.16 177.41 2aqe h LEU 42 N -0.41 0.25 0.23 2.82 3.38 0.39 -0.15 115.31 121.82 2aqe h LEU 42 Ca -0.02 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2aqe h LEU 42 Cb 0.32 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2aqe h LEU 42 CO 0.03 0.09 -0.11 -0.08 0.09 0.00 0.00 178.44 178.47 2aqe h GLU 43 N 0.25 -0.30 -0.23 1.13 4.81 -0.53 -2.37 114.58 117.35 2aqe h GLU 43 Ca 0.45 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.74 2aqe h GLU 43 Cb 1.36 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 30.73 2aqe h GLU 43 CO -0.12 -0.17 -0.51 1.88 -0.73 0.00 0.00 179.01 179.37 2aqe h TYR 44 N -1.07 -1.51 -0.89 0.92 0.05 -0.60 0.16 116.97 114.03 2aqe h TYR 44 Ca -0.03 0.06 0.18 0.00 0.05 0.00 0.00 58.73 58.99 2aqe h TYR 44 Cb 0.26 0.69 -0.11 0.00 1.01 0.00 0.00 36.73 38.58 2aqe h TYR 44 CO 0.01 -0.51 0.45 -0.22 -1.05 0.00 0.00 178.16 176.84 2aqe h LYS 45 N -0.50 0.56 -0.23 4.88 3.64 -1.18 0.45 116.57 124.19 2aqe h LYS 45 Ca 0.06 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.45 2aqe h LYS 45 Cb 0.64 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 2aqe h LYS 45 CO -0.48 0.37 -0.03 0.77 -2.27 0.00 0.00 179.45 177.81 2aqe h SER 46 N 0.57 -0.16 -0.71 4.20 0.02 -0.19 0.86 113.55 118.15 2aqe h SER 46 Ca 0.51 0.06 0.20 0.00 -0.84 0.00 0.00 61.79 61.72 2aqe h SER 46 Cb 0.82 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.45 2aqe h SER 46 CO -0.42 -0.05 0.51 0.00 -1.14 0.00 0.00 176.83 175.73 2aqe h ALA 47 N 1.22 2.64 0.00 3.77 0.00 0.70 0.54 119.26 128.12 2aqe h ALA 47 Ca 0.11 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 2aqe h ALA 47 Cb 0.16 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2aqe h ALA 47 CO -0.21 -0.84 -0.64 -0.07 0.00 0.00 0.00 179.25 177.49 2aqe h LEU 48 N 0.02 0.00 -0.12 0.00 3.38 -0.40 -2.03 115.31 116.15 2aqe h LEU 48 Ca 0.34 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.18 2aqe h LEU 48 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2aqe h LEU 48 CO -0.01 0.64 -0.43 0.25 0.09 0.00 0.00 178.44 178.98 2aqe h LEU 49 N 0.00 0.59 -0.17 1.67 7.12 0.84 -2.74 115.31 122.63 2aqe h LEU 49 Ca -0.01 -0.61 -0.12 0.00 0.13 0.00 0.00 57.88 57.27 2aqe h LEU 49 Cb 1.24 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 41.20 2aqe h LEU 49 CO 0.08 1.10 -0.36 -1.13 -0.13 0.00 0.00 178.44 178.00 2aqe h ASN 50 N 0.11 0.61 0.02 1.25 -0.73 -1.39 -2.71 115.58 112.74 2aqe h ASN 50 Ca -0.02 -0.56 0.02 0.00 1.87 0.00 0.00 56.30 57.61 2aqe h ASN 50 Cb 1.06 -0.17 -0.03 0.00 0.27 0.00 0.00 38.32 39.44 2aqe h ASN 50 CO 0.09 1.06 -0.15 -0.33 -0.37 0.00 0.00 177.43 177.72 2aqe h GLU 51 N 0.18 -0.25 -0.66 6.67 5.08 -1.44 -1.85 114.58 122.30 2aqe h GLU 51 Ca 0.00 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.45 2aqe h GLU 51 Cb 0.96 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.21 2aqe h GLU 51 CO 0.08 -0.17 0.34 0.00 -1.00 0.00 0.00 179.01 178.26 2aqe h HIS 53 N 0.62 0.00 0.00 0.00 2.76 -1.05 0.87 115.15 118.34 2aqe h HIS 53 Ca 0.31 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.48 2aqe h HIS 53 Cb 0.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.22 2aqe h HIS 53 CO -0.10 0.00 -0.03 -0.22 -1.30 0.00 0.00 177.93 176.28 2aqe h LYS 54 N 0.00 0.00 0.00 5.26 1.63 -0.28 -3.32 116.57 119.86 2aqe h LYS 54 Ca 0.08 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 2aqe h LYS 54 Cb 0.31 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 2aqe h LYS 54 CO -0.00 0.00 0.00 1.04 -3.45 0.00 0.00 179.45 177.04 2aqe n GLN 55 N -4.76 0.06 -2.60 1.90 6.02 -0.64 -4.85 117.38 112.50 2aqe n GLN 55 Ca -0.00 0.19 -0.14 0.00 -0.01 0.00 0.00 57.00 57.04 2aqe n GLN 55 Cb 0.02 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 29.79 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 0.20 -0.11 0.00 1.08 0.00 0.29 -4.87 105.19 101.78 2aqe n GLY 56 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.18 4.71 2.76 -0.02 0.00 -0.81 -4.88 105.19 105.77 2aqe n GLY 57 Ca -0.10 -0.92 -0.20 0.00 0.00 0.00 0.00 46.02 44.79 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 0.66 0.76 0.99 0.20 0.33 -4.74 118.68 116.89 2aqe s LEU 58 Ca 0.00 -0.03 -0.14 0.00 0.69 0.00 0.00 54.13 54.65 2aqe s LEU 58 Cb 0.00 -0.30 0.06 0.00 -0.43 0.00 0.00 46.19 45.52 2aqe s LEU 58 CO 0.00 -0.18 1.22 -0.13 -0.29 0.00 0.00 176.35 176.98 2aqe s ARG 59 N 1.71 1.90 0.33 1.98 0.52 -1.26 -3.73 118.95 120.40 2aqe s ARG 59 Ca 0.00 1.82 0.09 0.00 -0.52 0.00 0.00 55.73 57.12 2aqe s ARG 59 Cb -0.13 -1.80 0.60 0.00 0.52 0.00 0.00 34.95 34.14 2aqe s ARG 59 CO -0.03 -2.03 1.78 1.25 0.02 0.00 0.00 175.30 176.29 2aqe h LEU 60 N -0.51 0.18 0.49 2.53 5.85 -1.90 -2.86 115.31 119.09 2aqe h LEU 60 Ca -0.47 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.16 2aqe h LEU 60 Cb 1.30 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.29 2aqe h LEU 60 CO 0.48 0.51 -0.23 0.00 -0.34 0.00 0.00 178.44 178.86 2aqe h ALA 61 N 1.50 -0.65 -0.83 1.25 0.00 -2.00 -1.66 119.26 116.86 2aqe h ALA 61 Ca 0.02 -0.17 0.23 0.00 0.00 0.00 0.00 54.91 54.99 2aqe h ALA 61 Cb 0.67 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2aqe h ALA 61 CO 0.05 -0.81 0.59 1.96 0.00 0.00 0.00 179.25 181.04 2aqe h GLN 62 N -0.77 0.07 -0.28 0.00 4.20 -1.92 0.11 115.11 116.52 2aqe h GLN 62 Ca -0.07 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 2aqe h GLN 62 Cb 0.55 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 2aqe h GLN 62 CO 0.11 0.05 -0.10 0.00 -0.67 0.00 0.00 178.83 178.22 2aqe h ALA 63 N 1.60 0.39 -0.67 3.87 0.00 -1.15 -1.15 119.26 122.14 2aqe h ALA 63 Ca 0.40 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 55.09 2aqe h ALA 63 Cb 1.48 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 2aqe h ALA 63 CO -0.04 0.24 0.44 0.00 0.00 0.00 0.00 179.25 179.90 2aqe h ARG 64 N 0.31 0.57 -0.01 0.00 -0.00 0.10 0.58 114.38 115.93 2aqe h ARG 64 Ca 0.07 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.51 2aqe h ARG 64 Cb 0.60 -0.13 0.00 0.00 0.00 0.00 0.00 29.97 30.44 2aqe h ARG 64 CO 0.03 0.38 -0.06 0.00 0.00 0.00 0.00 179.97 180.32 2aqe n ALA 65 N -2.48 2.69 -0.57 0.04 0.00 -1.03 -4.57 120.51 114.58 2aqe n ALA 65 Ca 0.11 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2aqe n ALA 65 Cb 0.30 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 0.09 0.84 0.00 0.00 0.00 0.19 -5.02 117.00 113.09 2aqe n LEU 66 Ca 0.17 0.10 -0.02 0.00 0.00 0.00 0.00 56.01 56.27 2aqe n LEU 66 Cb 0.37 -0.21 0.01 0.00 0.00 0.00 0.00 43.42 43.59 2aqe n LEU 66 CO 0.19 -0.21 0.04 2.30 0.00 0.00 0.00 177.39 179.70 2aqe n ILE 67 N -1.55 0.00 -1.89 1.96 -5.35 -1.18 -4.97 119.36 106.38 2aqe n ILE 67 Ca 0.00 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 2aqe n ILE 67 Cb 0.00 -1.38 0.00 0.00 -1.74 0.00 0.00 39.64 36.52 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 -1.13 0.00 0.00 6.28 4.76 -1.26 -4.75 118.16 122.06 2aqe n LYS 68 Ca 0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 2aqe n LYS 68 Cb 0.04 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.23 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 -0.05 0.00 -0.45 -0.18 -0.00 -1.26 -5.04 119.36 112.38 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 -0.33 0.00 0.00 -0.00 0.00 0.00 39.64 39.31 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 -1.28 0.00 0.04 7.28 2.03 -1.26 -5.01 116.55 118.35 2aqe n ASP 70 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 2aqe n ASP 70 Cb 0.19 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.59 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 0.00 1.17 0.13 5.18 0.24 -1.26 -4.50 118.33 119.29 2aqe n VAL 71 Ca 0.00 0.37 0.17 0.00 -2.04 0.00 0.00 64.34 62.84 2aqe n VAL 71 Cb 0.00 -1.62 0.74 0.00 -1.47 0.00 0.00 33.84 31.49 2aqe n VAL 71 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 2aqe h ASN 72 N -0.05 0.00 0.61 -1.34 -0.73 -1.97 1.34 115.58 113.44 2aqe h ASN 72 Ca -0.00 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.14 2aqe h ASN 72 Cb 0.12 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.71 2aqe h ASN 72 CO -0.00 0.00 -0.29 0.11 -0.37 0.00 0.00 177.43 176.88 2aqe h LYS 73 N 0.00 -0.79 -0.17 6.67 1.57 -1.99 -1.85 116.57 120.00 2aqe h LYS 73 Ca 0.14 0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 2aqe h LYS 73 Cb 0.63 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 2aqe h LYS 73 CO -0.00 -0.48 -0.04 1.15 -0.57 0.00 0.00 179.45 179.51 2aqe h THR 74 N -0.98 1.29 -1.01 -0.16 2.02 -1.52 -2.80 112.91 109.74 2aqe h THR 74 Ca -0.08 -1.00 0.29 0.00 0.77 0.00 0.00 66.41 66.39 2aqe h THR 74 Cb 0.68 1.60 -0.04 0.00 -1.74 0.00 0.00 68.15 68.65 2aqe h THR 74 CO 0.14 0.30 0.82 -0.09 0.37 0.00 0.00 175.52 177.06 2aqe h ARG 75 N 0.03 0.00 0.00 6.66 2.43 0.17 0.32 114.38 123.99 2aqe h ARG 75 Ca 0.04 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 2aqe h ARG 75 Cb 0.47 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2aqe h ARG 75 CO 0.02 0.00 -0.56 0.87 -1.51 0.00 0.00 179.97 178.79 2aqe h LYS 76 N 0.00 0.00 0.07 0.20 1.57 -1.08 -2.40 116.57 114.92 2aqe h LYS 76 Ca 0.48 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.26 2aqe h LYS 76 Cb 2.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.43 2aqe h LYS 76 CO -0.01 0.82 -0.03 0.82 -0.57 0.00 0.00 179.45 180.48 2aqe h ILE 77 N -1.00 1.00 -0.74 1.86 2.04 -1.10 -2.64 117.51 116.93 2aqe h ILE 77 Ca -0.14 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 2aqe h ILE 77 Cb 0.99 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 2aqe h ILE 77 CO -0.09 0.05 0.28 1.88 0.00 0.00 0.00 178.15 180.28 2aqe h TYR 78 N -0.19 1.13 -1.00 1.37 0.05 -0.59 -1.92 116.97 115.82 2aqe h TYR 78 Ca -0.01 -0.09 0.16 0.00 0.05 0.00 0.00 58.73 58.85 2aqe h TYR 78 Cb 0.16 -0.34 -0.10 0.00 1.01 0.00 0.00 36.73 37.46 2aqe h TYR 78 CO -0.04 0.87 0.62 -0.44 -1.05 0.00 0.00 178.16 178.11 2aqe h ASP 79 N 1.08 0.83 0.88 3.88 5.19 -1.19 0.28 116.42 127.36 2aqe h ASP 79 Ca 0.25 0.08 -0.04 0.00 -0.62 0.00 0.00 57.03 56.69 2aqe h ASP 79 Cb 0.22 -0.08 0.01 0.00 0.18 0.00 0.00 39.33 39.66 2aqe h ASP 79 CO -0.02 0.35 -0.42 0.15 -3.12 0.00 0.00 179.24 176.18 2aqe h PHE 80 N 0.84 -1.09 -0.63 4.55 3.57 -1.00 0.14 116.94 123.33 2aqe h PHE 80 Ca 0.55 -0.03 0.08 0.00 3.53 0.00 0.00 57.97 62.10 2aqe h PHE 80 Cb 0.75 0.36 -0.07 0.00 2.79 0.00 0.00 35.95 39.79 2aqe h PHE 80 CO -0.00 -0.68 0.28 -0.07 -2.23 0.00 0.00 178.31 175.61 2aqe h LEU 81 N -1.19 0.34 0.06 0.59 3.38 -1.10 0.66 115.31 118.04 2aqe h LEU 81 Ca -0.12 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2aqe h LEU 81 Cb 0.91 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2aqe h LEU 81 CO 0.20 0.21 -0.03 0.40 0.09 0.00 0.00 178.44 179.31 2aqe h ILE 82 N 0.50 0.00 -0.23 1.22 1.08 -0.29 -2.68 117.51 117.11 2aqe h ILE 82 Ca 0.31 -0.01 0.07 0.00 -0.39 0.00 0.00 64.86 64.84 2aqe h ILE 82 Cb 0.32 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.07 2aqe h ILE 82 CO -0.26 0.00 0.27 0.03 -0.69 0.00 0.00 178.15 177.50 2aqe h ARG 83 N -0.09 0.00 0.00 2.37 -0.00 -0.70 -3.42 114.38 112.54 2aqe h ARG 83 Ca -0.01 0.00 -0.31 0.00 -0.50 0.00 0.00 59.98 59.16 2aqe h ARG 83 Cb 0.06 0.00 0.07 0.00 0.00 0.00 0.00 29.97 30.10 2aqe h ARG 83 CO 0.01 0.00 0.12 0.39 0.00 0.00 0.00 179.97 180.49 2aqe n GLU 84 N -3.74 -0.06 -1.67 0.04 -0.58 0.22 -4.96 120.64 109.89 2aqe n GLU 84 Ca 0.03 -1.77 -0.31 0.00 -0.42 0.00 0.00 57.16 54.68 2aqe n GLU 84 Cb 0.40 -0.54 -0.04 0.00 -0.57 0.00 0.00 31.44 30.69 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 -0.35 4.64 0.45 0.62 0.00 -1.26 -4.52 105.19 104.76 2aqe n GLY 85 Ca 0.11 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 1.18 0.00 -1.44 1.61 4.01 -1.17 -5.11 117.16 116.24 2aqe n TYR 86 Ca 0.53 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.27 2aqe n TYR 86 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.48 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 -2.07 0.00 -3.43 -0.72 -5.35 -1.02 -4.99 119.36 101.77 2aqe n ILE 87 Ca 0.00 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.36 2aqe n ILE 87 Cb 0.00 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 37.88 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 2.57 0.00 -0.55 7.28 -4.23 -1.26 -4.74 115.64 114.71 2aqe s THR 88 Ca 0.00 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.58 2aqe s THR 88 Cb 0.00 -1.00 0.25 0.00 1.34 0.00 0.00 72.50 73.09 2aqe s THR 88 CO 0.00 0.00 0.67 2.29 -0.54 0.00 0.00 174.62 177.04 2aqe n LYS 89 N -0.34 1.87 0.00 3.99 2.85 -1.24 0.12 118.16 125.41 2aqe n LYS 89 Ca -0.16 -4.14 0.06 0.00 -1.05 0.00 0.00 58.31 53.02 2aqe n LYS 89 Cb 0.64 -1.88 0.36 0.00 -0.65 0.00 0.00 35.03 33.51 2aqe n LYS 89 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35