#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hrq s ALA 2 N 0.00 3.17 0.76 -0.43 0.00 -1.26 -5.00 121.76 119.00 1hrq s ALA 2 Ca 0.00 1.24 -0.12 0.00 0.00 0.00 0.00 51.96 53.08 1hrq s ALA 2 Cb 0.00 -3.50 0.05 0.00 0.00 0.00 0.00 23.12 19.67 1hrq s ALA 2 CO 0.00 -0.92 1.12 -1.25 0.00 0.00 0.00 175.76 174.71 1hrq s PRO 3 N -2.40 2.19 0.15 0.00 0.04 -1.26 -4.95 135.00 128.76 1hrq s PRO 3 Ca 0.60 1.38 -0.16 0.00 0.04 0.00 0.00 61.00 62.86 1hrq s PRO 3 Cb -0.38 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.30 1hrq s PRO 3 CO 0.48 -1.72 1.77 0.00 0.04 0.00 0.00 177.00 177.57 1hrq h ALA 4 N -0.80 0.53 -0.23 8.56 0.00 -2.01 -2.37 119.26 122.95 1hrq h ALA 4 Ca -0.45 -0.07 -0.55 0.00 0.00 0.00 0.00 54.91 53.84 1hrq h ALA 4 Cb 1.25 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 1hrq h ALA 4 CO 0.50 0.04 2.02 0.27 0.00 0.00 0.00 179.25 182.08 1hrq n ASN 5 N -4.74 7.45 -4.84 0.00 6.94 -1.26 -4.88 115.26 113.93 1hrq n ASN 5 Ca 0.01 -2.78 -0.34 0.00 -0.02 0.00 0.00 54.58 51.45 1hrq n ASN 5 Cb 0.06 -1.43 -0.06 0.00 -2.36 0.00 0.00 39.78 35.99 1hrq n ASN 5 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hrq s ALA 6 N 0.55 3.49 0.06 -2.53 0.00 -0.89 0.25 121.76 122.67 1hrq s ALA 6 Ca 0.64 -0.04 -0.31 0.00 0.00 0.00 0.00 51.96 52.25 1hrq s ALA 6 Cb 0.24 -2.63 -0.07 0.00 0.00 0.00 0.00 23.12 20.66 1hrq s ALA 6 CO -0.08 0.41 1.53 0.08 0.00 0.00 0.00 175.76 177.70 1hrq s VAL 7 N -1.62 3.28 0.17 0.00 1.01 0.71 -4.64 120.40 119.30 1hrq s VAL 7 Ca 0.44 0.75 -0.29 0.00 0.00 0.00 0.00 61.98 62.87 1hrq s VAL 7 Cb -0.14 -3.48 -0.07 0.00 0.00 0.00 0.00 36.38 32.69 1hrq s VAL 7 CO 0.20 0.01 0.92 0.00 0.00 0.00 0.00 175.10 176.22 1hrq s ALA 8 N 2.29 3.32 0.38 5.51 0.00 -1.26 -4.95 121.76 127.04 1hrq s ALA 8 Ca 0.69 0.55 0.06 0.00 0.00 0.00 0.00 51.96 53.26 1hrq s ALA 8 Cb -0.37 -3.19 0.77 0.00 0.00 0.00 0.00 23.12 20.33 1hrq s ALA 8 CO 0.30 0.12 2.00 0.00 0.00 0.00 0.00 175.76 178.17 1hrq h ALA 9 N 4.81 1.69 -0.45 0.00 0.00 -1.94 -0.90 119.26 122.47 1hrq h ALA 9 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1hrq h ALA 9 Cb 1.21 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1hrq h ALA 9 CO 0.69 0.23 0.00 -0.40 0.00 0.00 0.00 179.25 179.77 1hrq n ASP 10 N -4.47 2.75 -4.67 0.00 5.75 -1.26 -3.98 116.55 110.67 1hrq n ASP 10 Ca 0.08 -2.10 -0.38 0.00 -0.01 0.00 0.00 54.79 52.38 1hrq n ASP 10 Cb 0.16 -0.36 0.05 0.00 -1.03 0.00 0.00 41.12 39.93 1hrq n ASP 10 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1hrq n ASP 11 N 0.80 1.61 -0.28 -1.12 -0.08 -0.34 -4.79 116.55 112.35 1hrq n ASP 11 Ca 0.16 0.89 -0.05 0.00 -1.51 0.00 0.00 54.79 54.28 1hrq n ASP 11 Cb 0.47 -1.47 0.06 0.00 2.34 0.00 0.00 41.12 42.53 1hrq n ASP 11 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1hrq h ALA 12 N 0.93 0.97 -0.26 -1.67 0.00 -1.91 0.20 119.26 117.52 1hrq h ALA 12 Ca -0.49 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.38 1hrq h ALA 12 Cb 1.34 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1hrq h ALA 12 CO 0.54 0.44 -0.01 1.15 0.00 0.00 0.00 179.25 181.37 1hrq h THR 13 N 1.04 0.80 -0.45 0.00 2.02 -1.94 -0.42 112.91 113.96 1hrq h THR 13 Ca 0.27 -0.02 -0.08 0.00 0.77 0.00 0.00 66.41 67.34 1hrq h THR 13 Cb -0.03 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1hrq h THR 13 CO -0.05 0.01 -0.07 0.00 0.37 0.00 0.00 175.52 175.79 1hrq h ALA 14 N 1.23 1.05 0.31 6.16 0.00 -1.45 0.19 119.26 126.75 1hrq h ALA 14 Ca 0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1hrq h ALA 14 Cb 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1hrq h ALA 14 CO -0.22 0.59 -0.15 0.82 0.00 0.00 0.00 179.25 180.29 1hrq h ILE 15 N 0.71 0.72 -0.34 0.00 2.04 -0.39 0.60 117.51 120.85 1hrq h ILE 15 Ca 0.13 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 65.84 1hrq h ILE 15 Cb 0.53 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 1hrq h ILE 15 CO 0.03 0.04 0.05 0.00 0.00 0.00 0.00 178.15 178.27 1hrq h ALA 16 N 0.14 0.35 0.00 1.87 0.00 -0.79 -2.08 119.26 118.76 1hrq h ALA 16 Ca -0.04 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1hrq h ALA 16 Cb 0.39 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1hrq h ALA 16 CO 0.07 -0.36 0.00 -0.07 0.00 0.00 0.00 179.25 178.89 1hrq h LEU 17 N 0.16 0.00 -1.12 0.00 3.38 -0.50 -3.47 115.31 113.75 1hrq h LEU 17 Ca 0.16 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.68 1hrq h LEU 17 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1hrq h LEU 17 CO -0.23 0.00 -0.76 0.29 0.09 0.00 0.00 178.44 177.83 1hrq n LYS 18 N -2.78 -5.74 -2.26 1.13 4.76 0.19 -0.17 118.16 113.29 1hrq n LYS 18 Ca 0.02 0.63 -0.42 0.00 -2.87 0.00 0.00 58.31 55.68 1hrq n LYS 18 Cb 0.35 -5.49 -0.03 0.00 -1.84 0.00 0.00 35.03 28.03 1hrq n LYS 18 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1hrq s TYR 19 N -3.37 3.31 -0.03 2.13 5.04 -0.10 -4.22 117.35 120.10 1hrq s TYR 19 Ca 0.53 1.16 -0.02 0.00 -2.44 0.00 0.00 57.07 56.30 1hrq s TYR 19 Cb -0.26 -3.58 0.02 0.00 0.35 0.00 0.00 41.96 38.49 1hrq s TYR 19 CO 0.81 -1.88 0.07 1.21 -1.34 0.00 0.00 175.55 174.43 1hrq s ASN 20 N 0.74 -0.04 0.08 4.32 3.84 0.16 -4.82 114.94 119.22 1hrq s ASN 20 Ca 0.60 0.15 -0.18 0.00 0.21 0.00 0.00 52.86 53.63 1hrq s ASN 20 Cb -0.35 0.10 -0.08 0.00 -0.55 0.00 0.00 41.25 40.36 1hrq s ASN 20 CO 0.33 -0.08 1.50 1.56 -2.79 0.00 0.00 177.10 177.63 1hrq h GLN 21 N 6.62 0.45 -5.60 0.43 4.20 -1.92 0.65 115.11 119.95 1hrq h GLN 21 Ca -0.34 -0.16 -0.30 0.00 0.06 0.00 0.00 58.65 57.92 1hrq h GLN 21 Cb 1.17 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.87 1hrq h GLN 21 CO 0.46 0.65 0.85 0.34 -0.67 0.00 0.00 178.83 180.46 1hrq s ASP 22 N -5.99 5.05 0.58 1.46 -1.08 -1.26 -3.44 116.67 111.99 1hrq s ASP 22 Ca -0.14 -1.07 0.35 0.00 -0.52 0.00 0.00 52.55 51.17 1hrq s ASP 22 Cb 0.07 -2.57 1.74 0.00 -1.46 0.00 0.00 42.92 40.70 1hrq s ASP 22 CO 0.75 -2.93 2.14 0.00 0.52 0.00 0.00 175.17 175.65 1hrq h ALA 23 N 10.67 1.11 -0.24 3.66 0.00 -1.76 0.21 119.26 132.91 1hrq h ALA 23 Ca 0.14 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1hrq h ALA 23 Cb 0.98 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1hrq h ALA 23 CO 1.21 0.06 -0.40 1.79 0.00 0.00 0.00 179.25 181.91 1hrq h THR 24 N 0.00 1.31 -0.03 0.00 1.35 -1.93 -3.25 112.91 110.36 1hrq h THR 24 Ca -0.00 -1.60 -0.16 0.00 -0.55 0.00 0.00 66.41 64.09 1hrq h THR 24 Cb 0.28 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.42 1hrq h THR 24 CO 0.01 0.51 -0.71 0.50 -0.25 0.00 0.00 175.52 175.57 1hrq h LYS 25 N 0.42 0.16 -6.26 4.72 1.63 -1.78 -3.47 116.57 111.99 1hrq h LYS 25 Ca 0.02 -0.14 -0.60 0.00 -0.85 0.00 0.00 60.65 59.08 1hrq h LYS 25 Cb 1.00 0.03 0.16 0.00 -0.60 0.00 0.00 32.23 32.82 1hrq h LYS 25 CO 0.09 0.80 -0.66 0.45 -3.45 0.00 0.00 179.45 176.68 1hrq n SER 26 N -3.77 -1.90 0.00 4.20 2.88 0.69 -4.86 113.62 110.86 1hrq n SER 26 Ca -0.02 0.77 0.03 0.00 -1.33 0.00 0.00 58.87 58.32 1hrq n SER 26 Cb 0.69 -1.04 0.15 0.00 -0.75 0.00 0.00 64.21 63.27 1hrq n SER 26 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1hrq n GLU 27 N 0.70 0.05 -0.25 -1.46 1.02 -1.26 -4.06 120.64 115.38 1hrq n GLU 27 Ca 0.11 0.30 0.05 0.00 -0.02 0.00 0.00 57.16 57.60 1hrq n GLU 27 Cb 0.44 -1.50 0.17 0.00 -0.02 0.00 0.00 31.44 30.53 1hrq n GLU 27 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 1hrq h ARG 28 N 0.00 0.20 -0.74 3.49 0.11 -1.89 0.29 114.38 115.84 1hrq h ARG 28 Ca 0.00 -0.01 -0.05 0.00 0.10 0.00 0.00 59.98 60.02 1hrq h ARG 28 Cb 0.09 -0.04 -0.03 0.00 1.11 0.00 0.00 29.97 31.09 1hrq h ARG 28 CO 0.00 0.13 0.26 0.28 0.10 0.00 0.00 179.97 180.74 1hrq h VAL 29 N 0.20 1.26 -0.26 0.08 2.07 -1.87 0.29 116.25 118.03 1hrq h VAL 29 Ca 0.41 -0.85 -0.07 0.00 0.82 0.00 0.00 66.70 67.01 1hrq h VAL 29 Cb 0.72 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1hrq h VAL 29 CO -0.56 0.34 -0.11 0.00 0.02 0.00 0.00 177.57 177.26 1hrq h ALA 30 N 1.19 0.36 -0.21 1.67 0.00 -1.04 -3.27 119.26 117.97 1hrq h ALA 30 Ca 0.24 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1hrq h ALA 30 Cb 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1hrq h ALA 30 CO -0.01 0.21 -0.60 0.00 0.00 0.00 0.00 179.25 178.84 1hrq h ALA 31 N 0.74 0.55 -6.71 0.00 0.00 -0.38 -3.48 119.26 109.97 1hrq h ALA 31 Ca 0.06 -0.54 -0.55 0.00 0.00 0.00 0.00 54.91 53.89 1hrq h ALA 31 Cb 0.60 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1hrq h ALA 31 CO 0.03 0.69 -0.97 0.00 0.00 0.00 0.00 179.25 179.01 1hrq n ALA 32 N -2.55 -2.43 -1.73 0.00 0.00 1.00 -4.89 120.51 109.91 1hrq n ALA 32 Ca -0.04 -0.43 -0.40 0.00 0.00 0.00 0.00 53.44 52.57 1hrq n ALA 32 Cb 0.65 -2.60 0.02 0.00 0.00 0.00 0.00 19.45 17.52 1hrq n ALA 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1hrq n ARG 33 N -4.67 1.95 -2.09 0.00 1.74 -1.26 -4.96 116.66 107.37 1hrq n ARG 33 Ca -0.17 0.70 -0.36 0.00 -0.77 0.00 0.00 57.85 57.26 1hrq n ARG 33 Cb 0.61 -2.52 0.02 0.00 -1.02 0.00 0.00 32.46 29.55 1hrq n ARG 33 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1hrq s PRO 34 N -2.49 3.14 0.00 5.56 0.04 -1.26 -4.43 135.00 135.56 1hrq s PRO 34 Ca 0.64 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1hrq s PRO 34 Cb -0.46 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1hrq s PRO 34 CO 0.55 -1.06 0.00 0.41 0.04 0.00 0.00 177.00 176.94 1hrq n GLY 35 N 0.42 2.33 3.34 0.56 0.00 -1.26 -4.76 105.19 105.82 1hrq n GLY 35 Ca 0.12 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 1hrq n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hrq s LEU 36 N 0.00 0.24 0.46 0.99 2.96 -1.26 -5.03 118.68 117.04 1hrq s LEU 36 Ca 0.00 -0.18 -0.24 0.00 -0.22 0.00 0.00 54.13 53.49 1hrq s LEU 36 Cb 0.00 1.94 -0.09 0.00 0.50 0.00 0.00 46.19 48.55 1hrq s LEU 36 CO 0.00 -0.82 1.14 -2.65 -1.32 0.00 0.00 176.35 172.70 1hrq n PRO 37 N -0.07 1.55 -0.30 0.98 -0.02 -1.26 -4.71 135.00 131.16 1hrq n PRO 37 Ca -0.17 0.56 0.08 0.00 -2.02 0.00 0.00 63.50 61.96 1hrq n PRO 37 Cb 0.63 -2.25 0.24 0.00 -0.02 0.00 0.00 33.50 32.10 1hrq n PRO 37 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1hrq h PRO 38 N 1.59 0.61 -0.89 0.52 0.13 -1.87 0.13 132.00 132.22 1hrq h PRO 38 Ca -0.47 -0.04 0.19 0.00 -0.87 0.00 0.00 66.00 64.82 1hrq h PRO 38 Cb 1.32 -0.14 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 1hrq h PRO 38 CO 0.57 0.40 0.59 0.93 -0.23 0.00 0.00 178.00 180.26 1hrq h GLU 39 N 0.63 0.41 0.00 0.86 5.08 -1.92 0.17 114.58 119.81 1hrq h GLU 39 Ca 0.49 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.68 1hrq h GLU 39 Cb 0.72 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1hrq h GLU 39 CO -0.38 0.27 -0.68 0.93 -1.00 0.00 0.00 179.01 178.16 1hrq h GLU 40 N 0.42 0.00 -6.34 2.33 4.39 -1.08 -3.46 114.58 110.85 1hrq h GLU 40 Ca 0.46 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.61 1hrq h GLU 40 Cb 1.11 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 1hrq h GLU 40 CO -0.17 0.68 0.89 -0.65 -1.16 0.00 0.00 179.01 178.60 1hrq s GLN 41 N -3.19 4.25 0.14 2.33 -0.21 0.60 -4.81 119.66 118.77 1hrq s GLN 41 Ca 0.01 2.00 -0.25 0.00 0.02 0.00 0.00 55.36 57.13 1hrq s GLN 41 Cb 0.11 -3.66 0.07 0.00 1.00 0.00 0.00 33.01 30.52 1hrq s GLN 41 CO 0.76 -0.65 0.90 -3.38 -2.12 0.00 0.00 175.29 170.81 1hrq s HIS 42 N 2.80 -0.20 0.32 0.91 -3.43 -1.26 -4.81 115.29 109.62 1hrq s HIS 42 Ca 0.65 -0.09 0.10 0.00 -0.80 0.00 0.00 55.06 54.93 1hrq s HIS 42 Cb -0.31 0.62 0.94 0.00 -1.43 0.00 0.00 32.58 32.40 1hrq s HIS 42 CO 0.26 -0.82 1.69 0.00 -2.00 0.00 0.00 174.74 173.87 1hrq h ALA 44 N 1.79 2.01 -0.18 0.00 0.00 -0.96 0.11 119.26 122.03 1hrq h ALA 44 Ca 0.67 0.27 -0.13 0.00 0.00 0.00 0.00 54.91 55.72 1hrq h ALA 44 Cb 1.39 0.36 -0.10 0.00 0.00 0.00 0.00 17.79 19.44 1hrq h ALA 44 CO -0.55 -0.87 -0.58 0.27 0.00 0.00 0.00 179.25 177.51 1hrq n ASN 45 N -5.28 2.45 -4.71 0.00 0.23 0.29 -5.02 115.26 103.23 1hrq n ASN 45 Ca 0.35 -3.86 -0.37 0.00 -0.53 0.00 0.00 54.58 50.18 1hrq n ASN 45 Cb 1.19 -0.48 -0.07 0.00 -2.08 0.00 0.00 39.78 38.33 1hrq n ASN 45 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1hrq h GLN 47 N 6.90 0.16 -0.50 0.00 4.15 -0.75 -1.53 115.11 123.54 1hrq h GLN 47 Ca -0.40 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.01 1hrq h GLN 47 Cb 1.16 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.82 1hrq h GLN 47 CO 0.74 0.11 0.00 1.19 -1.93 0.00 0.00 178.83 178.93 1hrq n PHE 48 N -4.46 0.66 -2.25 3.99 3.72 -1.26 -4.85 117.46 113.01 1hrq n PHE 48 Ca 0.30 -0.33 -0.37 0.00 -0.05 0.00 0.00 57.45 57.00 1hrq n PHE 48 Cb 1.23 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.76 1hrq n PHE 48 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 1hrq s MET 49 N -1.34 3.77 -0.49 -1.08 1.75 -0.58 -0.93 119.30 120.40 1hrq s MET 49 Ca 0.41 1.80 0.03 0.00 -1.25 0.00 0.00 55.69 56.68 1hrq s MET 49 Cb 0.23 -2.43 0.14 0.00 2.84 0.00 0.00 34.83 35.61 1hrq s MET 49 CO 0.31 -0.55 0.29 -0.65 -0.65 0.00 0.00 175.02 173.77 1hrq s GLN 50 N -2.66 1.53 0.27 4.11 -0.21 0.46 -4.85 119.66 118.31 1hrq s GLN 50 Ca 0.63 -2.31 0.26 0.00 0.02 0.00 0.00 55.36 53.96 1hrq s GLN 50 Cb -0.29 -2.57 0.77 0.00 1.00 0.00 0.00 33.01 31.92 1hrq s GLN 50 CO 0.36 -1.19 1.75 0.00 -2.12 0.00 0.00 175.29 174.08 1hrq h ALA 51 N 6.41 1.00 0.00 6.09 0.00 -1.94 0.18 119.26 130.99 1hrq h ALA 51 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1hrq h ALA 51 Cb 0.89 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1hrq h ALA 51 CO 0.54 0.00 -0.04 0.38 0.00 0.00 0.00 179.25 180.13 1hrq h ASP 52 N 0.00 0.00 -1.76 0.00 2.03 -1.96 -3.45 116.42 111.28 1hrq h ASP 52 Ca 0.00 0.00 -0.67 0.00 -0.73 0.00 0.00 57.03 55.63 1hrq h ASP 52 Cb 0.73 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 39.28 1hrq h ASP 52 CO 0.00 0.04 0.53 0.00 -1.03 0.00 0.00 179.24 178.79 1hrq n ALA 53 N -2.19 -0.59 -1.65 4.15 0.00 -1.00 -4.84 120.51 114.40 1hrq n ALA 53 Ca -0.02 0.50 -0.50 0.00 0.00 0.00 0.00 53.44 53.42 1hrq n ALA 53 Cb 0.17 -2.13 -0.05 0.00 0.00 0.00 0.00 19.45 17.45 1hrq n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hrq n ALA 54 N 2.84 0.30 -0.75 0.00 0.00 -1.26 -0.77 120.51 120.88 1hrq n ALA 54 Ca 0.19 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1hrq n ALA 54 Cb 0.20 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.39 1hrq n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hrq n GLY 55 N 3.37 0.77 3.66 0.00 0.00 -1.26 -5.04 105.19 106.70 1hrq n GLY 55 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1hrq n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hrq n ALA 56 N 0.26 0.76 -3.26 4.61 0.00 0.05 -4.98 120.51 117.95 1hrq n ALA 56 Ca 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 53.44 53.55 1hrq n ALA 56 Cb 0.00 -2.20 -0.00 0.00 0.00 0.00 0.00 19.45 17.25 1hrq n ALA 56 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1hrq n THR 57 N -1.00 0.00 -0.14 0.00 5.66 0.46 -5.02 114.28 114.24 1hrq n THR 57 Ca 0.11 -0.42 -0.07 0.00 -3.05 0.00 0.00 64.05 60.62 1hrq n THR 57 Cb 0.43 0.29 -0.06 0.00 -1.55 0.00 0.00 70.33 69.45 1hrq n THR 57 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1hrq h ASP 58 N 0.53 -1.09 -0.46 1.09 5.19 -2.00 -1.06 116.42 118.61 1hrq h ASP 58 Ca -0.08 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1hrq h ASP 58 Cb 0.33 0.46 0.00 0.00 0.18 0.00 0.00 39.33 40.30 1hrq h ASP 58 CO 0.10 -0.19 0.00 -0.62 -3.12 0.00 0.00 179.24 175.42 1hrq n GLU 59 N -4.20 2.53 -3.77 3.56 -0.58 -1.26 -4.92 120.64 112.00 1hrq n GLU 59 Ca -0.01 -2.35 -0.28 0.00 -0.42 0.00 0.00 57.16 54.10 1hrq n GLU 59 Cb 0.17 -1.51 -0.16 0.00 -0.57 0.00 0.00 31.44 29.37 1hrq n GLU 59 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1hrq s TRP 60 N -1.32 1.24 0.44 -0.32 0.52 -0.40 -0.61 118.94 118.49 1hrq s TRP 60 Ca 0.40 -0.98 0.04 0.00 0.02 0.00 0.00 56.10 55.57 1hrq s TRP 60 Cb 0.23 -1.11 -0.01 0.00 -1.15 0.00 0.00 33.47 31.42 1hrq s TRP 60 CO 0.31 -0.63 0.13 0.15 0.02 0.00 0.00 176.95 176.93 1hrq s LYS 61 N 1.79 2.03 0.59 4.98 3.01 -0.54 -0.40 119.74 131.20 1hrq s LYS 61 Ca -0.01 -2.27 0.01 0.00 -1.01 0.00 0.00 55.97 52.68 1hrq s LYS 61 Cb -0.17 -0.70 0.05 0.00 -1.01 0.00 0.00 37.83 36.00 1hrq s LYS 61 CO -0.08 -0.52 0.83 0.20 0.51 0.00 0.00 175.35 176.29 1hrq s GLY 62 N -3.68 1.81 -0.05 -3.33 0.00 0.61 0.31 107.32 102.99 1hrq s GLY 62 Ca 0.19 -1.38 -0.05 0.00 0.00 0.00 0.00 44.72 43.48 1hrq s GLY 62 CO 0.13 -1.04 0.14 0.00 0.00 0.00 0.00 173.10 172.33 1hrq h GLN 64 N 6.10 0.42 0.00 0.00 4.20 -1.36 0.12 115.11 124.60 1hrq h GLN 64 Ca -0.27 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.41 1hrq h GLN 64 Cb 1.19 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.88 1hrq h GLN 64 CO 0.42 0.28 0.00 1.28 -0.67 0.00 0.00 178.83 180.14 1hrq n LEU 65 N -5.01 0.13 -3.45 1.46 4.77 -1.26 -4.00 117.00 109.63 1hrq n LEU 65 Ca 0.16 0.52 -0.26 0.00 -0.03 0.00 0.00 56.01 56.40 1hrq n LEU 65 Cb 0.48 -0.49 -0.09 0.00 -2.33 0.00 0.00 43.42 40.99 1hrq n LEU 65 CO 0.17 -0.19 -0.06 0.49 -1.33 0.00 0.00 177.39 176.47 1hrq n PHE 66 N -1.63 2.31 -2.27 -1.77 3.72 0.43 -5.07 117.46 113.18 1hrq n PHE 66 Ca 0.05 -3.98 -0.35 0.00 -0.05 0.00 0.00 57.45 53.12 1hrq n PHE 66 Cb 0.25 -0.46 -0.00 0.00 -0.94 0.00 0.00 39.48 38.33 1hrq n PHE 66 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1hrq s PRO 67 N -1.82 3.40 0.00 -1.08 0.04 -1.24 -3.78 135.00 130.53 1hrq s PRO 67 Ca 0.36 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1hrq s PRO 67 Cb 0.11 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1hrq s PRO 67 CO -0.08 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.59 1hrq n GLY 68 N -0.05 1.19 3.91 0.56 0.00 -1.26 -4.91 105.19 104.63 1hrq n GLY 68 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1hrq n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hrq s LYS 69 N 0.00 2.30 -0.11 1.61 1.02 -1.25 -4.89 119.74 118.42 1hrq s LYS 69 Ca 0.00 0.06 0.03 0.00 0.02 0.00 0.00 55.97 56.08 1hrq s LYS 69 Cb 0.00 -2.06 -0.00 0.00 -0.52 0.00 0.00 37.83 35.25 1hrq s LYS 69 CO 0.00 -1.29 -0.22 -0.51 -0.92 0.00 0.00 175.35 172.41 1hrq s LEU 70 N -5.38 2.18 0.78 3.17 1.43 0.14 -4.56 118.68 116.44 1hrq s LEU 70 Ca 0.60 -0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 53.05 1hrq s LEU 70 Cb -0.11 -1.44 0.06 0.00 0.03 0.00 0.00 46.19 44.72 1hrq s LEU 70 CO 0.48 0.15 1.11 0.27 0.23 0.00 0.00 176.35 178.58 1hrq s ILE 71 N 0.42 3.05 -0.11 -0.59 -5.25 0.15 -0.20 121.20 118.66 1hrq s ILE 71 Ca -0.16 0.34 -0.17 0.00 -0.99 0.00 0.00 60.65 59.67 1hrq s ILE 71 Cb -0.17 -3.19 -0.04 0.00 2.95 0.00 0.00 42.46 42.00 1hrq s ILE 71 CO 0.07 -0.44 0.44 0.21 -1.79 0.00 0.00 174.94 173.42 1hrq s ASN 72 N -4.11 6.66 0.37 4.36 3.84 -1.26 -1.47 114.94 123.32 1hrq s ASN 72 Ca 0.60 0.79 0.13 0.00 0.21 0.00 0.00 52.86 54.59 1hrq s ASN 72 Cb -0.13 -2.27 0.94 0.00 -0.55 0.00 0.00 41.25 39.24 1hrq s ASN 72 CO 0.53 0.06 1.81 -0.37 -2.79 0.00 0.00 177.10 176.34 1hrq h VAL 73 N 4.58 0.66 0.00 -5.21 -1.51 -1.20 0.12 116.25 113.69 1hrq h VAL 73 Ca -0.42 -0.19 -0.04 0.00 -1.23 0.00 0.00 66.70 64.81 1hrq h VAL 73 Cb 1.18 0.05 -0.01 0.00 -2.13 0.00 0.00 31.29 30.39 1hrq h VAL 73 CO 0.74 0.10 -0.20 0.78 -1.23 0.00 0.00 177.57 177.76 1hrq h ASN 74 N 0.56 0.00 -3.42 4.19 2.35 -1.87 0.15 115.58 117.54 1hrq h ASN 74 Ca 0.54 0.00 -0.41 0.00 -0.55 0.00 0.00 56.30 55.88 1hrq h ASN 74 Cb 1.11 0.00 0.20 0.00 0.05 0.00 0.00 38.32 39.68 1hrq h ASN 74 CO -0.28 0.20 0.12 -0.83 -1.65 0.00 0.00 177.43 174.98 1hrq s GLY 75 N -4.24 1.59 0.03 2.83 0.00 0.41 -4.39 107.32 103.55 1hrq s GLY 75 Ca -0.02 -1.08 -0.13 0.00 0.00 0.00 0.00 44.72 43.49 1hrq s GLY 75 CO 0.63 -0.13 0.29 0.86 0.00 0.00 0.00 173.10 174.74 1hrq s TRP 76 N -3.02 -0.10 0.17 1.90 -0.00 0.22 -0.08 118.94 118.03 1hrq s TRP 76 Ca 0.72 0.02 0.01 0.00 -0.00 0.00 0.00 56.10 56.85 1hrq s TRP 76 Cb -0.08 0.08 -0.05 0.00 -0.00 0.00 0.00 33.47 33.43 1hrq s TRP 76 CO 0.56 -0.46 0.01 0.00 -0.00 0.00 0.00 176.95 177.05 1hrq h ALA 78 N 2.72 2.18 0.00 0.00 0.00 -0.73 0.41 119.26 123.84 1hrq h ALA 78 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1hrq h ALA 78 Cb 1.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1hrq h ALA 78 CO 0.62 -0.34 0.00 0.43 0.00 0.00 0.00 179.25 179.97 1hrq n SER 79 N -4.45 0.00 -4.60 0.00 7.64 -1.26 -4.89 113.62 106.05 1hrq n SER 79 Ca 0.11 -0.24 -0.59 0.00 1.01 0.00 0.00 58.87 59.17 1hrq n SER 79 Cb 0.48 -0.20 -0.08 0.00 -1.01 0.00 0.00 64.21 63.41 1hrq n SER 79 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 1hrq n TRP 80 N -1.20 1.29 -4.09 1.43 -0.00 0.13 -4.96 117.44 110.05 1hrq n TRP 80 Ca 0.12 0.89 -0.17 0.00 -0.00 0.00 0.00 57.50 58.34 1hrq n TRP 80 Cb 0.14 -2.23 -0.15 0.00 -0.00 0.00 0.00 31.31 29.07 1hrq n TRP 80 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 1hrq s THR 81 N 1.19 0.35 0.15 5.87 2.01 -1.26 -5.02 115.64 118.93 1hrq s THR 81 Ca 0.93 -0.11 -0.32 0.00 0.31 0.00 0.00 61.69 62.50 1hrq s THR 81 Cb -1.20 -0.36 -0.11 0.00 0.01 0.00 0.00 72.50 70.84 1hrq s THR 81 CO 0.60 0.14 1.79 -0.11 -0.69 0.00 0.00 174.62 176.35 1hrq n LEU 82 N 3.51 3.96 -3.58 4.42 0.00 -1.26 -0.20 117.00 123.84 1hrq n LEU 82 Ca -0.19 1.02 -0.40 0.00 0.00 0.00 0.00 56.01 56.43 1hrq n LEU 82 Cb 0.55 -1.55 -0.11 0.00 0.00 0.00 0.00 43.42 42.31 1hrq n LEU 82 CO 0.24 0.15 1.64 1.17 0.00 0.00 0.00 177.39 180.60 1hrq n LYS 83 N 4.95 0.00 0.00 1.96 4.81 -0.03 -4.18 118.16 125.67 1hrq n LYS 83 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 1hrq n LYS 83 Cb 0.36 -1.22 0.00 0.00 0.02 0.00 0.00 35.03 34.18 1hrq n LYS 83 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1hrq n ALA 84 N 7.52 0.00 0.00 3.14 0.00 -1.26 -4.90 120.51 125.00 1hrq n ALA 84 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1hrq n ALA 84 Cb -0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1hrq n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91