#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lyh s PRO 4 N 0.00 4.14 -0.22 -1.09 0.04 -1.26 -5.02 135.00 131.60 3lyh s PRO 4 Ca 0.00 0.68 -0.03 0.00 0.04 0.00 0.00 61.00 61.69 3lyh s PRO 4 Cb 0.00 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.41 3lyh s PRO 4 CO 0.00 0.58 -0.07 -1.58 0.04 0.00 0.00 177.00 175.97 3lyh s HIS 5 N -1.23 2.95 -0.09 0.56 2.46 -1.26 -4.43 115.29 114.25 3lyh s HIS 5 Ca 0.32 -1.15 -0.23 0.00 0.47 0.00 0.00 55.06 54.46 3lyh s HIS 5 Cb -0.18 -2.07 -0.03 0.00 -0.13 0.00 0.00 32.58 30.16 3lyh s HIS 5 CO 0.19 -0.62 0.70 -1.14 -2.47 0.00 0.00 174.74 171.40 3lyh s GLN 6 N 1.42 4.40 -0.14 2.88 2.00 -0.38 -4.83 119.66 125.01 3lyh s GLN 6 Ca 0.05 0.86 -0.14 0.00 -2.00 0.00 0.00 55.36 54.13 3lyh s GLN 6 Cb -0.14 -3.47 -0.05 0.00 0.80 0.00 0.00 33.01 30.15 3lyh s GLN 6 CO -0.05 -0.00 0.32 0.42 -0.50 0.00 0.00 175.29 175.48 3lyh s ILE 7 N 1.05 5.28 -0.24 -2.34 -1.09 0.50 -1.21 121.20 123.14 3lyh s ILE 7 Ca 0.37 0.61 -0.02 0.00 -2.23 0.00 0.00 60.65 59.38 3lyh s ILE 7 Cb -0.17 -3.65 0.02 0.00 -1.58 0.00 0.00 42.46 37.07 3lyh s ILE 7 CO 0.17 0.40 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.59 3lyh s ILE 8 N 0.33 2.92 -0.32 2.92 1.01 -0.42 -1.39 121.20 126.25 3lyh s ILE 8 Ca 0.18 -0.96 -0.24 0.00 0.00 0.00 0.00 60.65 59.63 3lyh s ILE 8 Cb -0.13 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.88 3lyh s ILE 8 CO 0.05 0.23 0.84 -0.76 0.00 0.00 0.00 174.94 175.31 3lyh s LEU 9 N 1.34 4.06 -0.25 2.97 1.43 0.71 -0.61 118.68 128.34 3lyh s LEU 9 Ca 0.01 0.69 -0.07 0.00 -1.03 0.00 0.00 54.13 53.73 3lyh s LEU 9 Cb -0.16 -3.15 -0.03 0.00 0.03 0.00 0.00 46.19 42.88 3lyh s LEU 9 CO -0.05 -0.68 0.06 -0.22 0.23 0.00 0.00 176.35 175.69 3lyh s LEU 10 N 3.10 3.38 0.26 1.79 2.96 -0.37 -0.63 118.68 129.18 3lyh s LEU 10 Ca 0.35 -0.24 0.11 0.00 -0.22 0.00 0.00 54.13 54.12 3lyh s LEU 10 Cb -0.14 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.61 3lyh s LEU 10 CO 0.14 -0.04 -0.09 0.00 -1.32 0.00 0.00 176.35 175.03 3lyh s ALA 11 N 1.60 2.97 0.36 5.97 0.00 -0.17 -0.03 121.76 132.45 3lyh s ALA 11 Ca 0.06 -1.73 -0.27 0.00 0.00 0.00 0.00 51.96 50.02 3lyh s ALA 11 Cb -0.15 -0.56 -0.09 0.00 0.00 0.00 0.00 23.12 22.32 3lyh s ALA 11 CO 0.03 0.29 1.26 -1.01 0.00 0.00 0.00 175.76 176.32 3lyh s HIS 12 N -2.33 3.04 0.69 0.00 3.76 -1.26 -4.27 115.29 114.92 3lyh s HIS 12 Ca 0.30 1.47 0.03 0.00 -0.15 0.00 0.00 55.06 56.71 3lyh s HIS 12 Cb -0.06 -3.58 0.12 0.00 1.11 0.00 0.00 32.58 30.17 3lyh s HIS 12 CO 0.17 -1.68 0.95 0.20 -0.85 0.00 0.00 174.74 173.53 3lyh s GLY 13 N -0.73 1.74 -0.09 -2.22 0.00 -1.09 -4.96 107.32 99.98 3lyh s GLY 13 Ca 0.52 -1.94 -0.30 0.00 0.00 0.00 0.00 44.72 43.00 3lyh s GLY 13 CO 0.48 -1.38 0.95 -0.45 0.00 0.00 0.00 173.10 172.70 3lyh s SER 14 N -4.75 -0.36 0.05 1.64 0.15 -1.26 -4.79 113.70 104.38 3lyh s SER 14 Ca 0.66 0.21 0.23 0.00 0.70 0.00 0.00 55.95 57.75 3lyh s SER 14 Cb -0.05 0.34 0.96 0.00 -1.71 0.00 0.00 66.02 65.55 3lyh s SER 14 CO 0.43 -0.47 1.74 -1.54 1.20 0.00 0.00 173.24 174.60 3lyh n SER 15 N 0.26 0.17 -4.65 5.45 3.41 -1.26 -4.49 113.62 112.51 3lyh n SER 15 Ca -0.09 0.53 -0.43 0.00 -0.26 0.00 0.00 58.87 58.62 3lyh n SER 15 Cb 0.60 -0.57 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 3lyh n SER 15 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3lyh s ASP 16 N -3.32 6.76 0.17 4.04 2.15 -1.26 -4.91 116.67 120.29 3lyh s ASP 16 Ca 0.10 1.62 -0.14 0.00 0.43 0.00 0.00 52.55 54.55 3lyh s ASP 16 Cb 0.14 -2.54 0.06 0.00 -0.30 0.00 0.00 42.92 40.28 3lyh s ASP 16 CO 0.44 -0.93 1.83 0.00 -0.17 0.00 0.00 175.17 176.33 3lyh h ALA 17 N 9.00 0.65 -0.78 3.66 0.00 -2.00 -2.64 119.26 127.14 3lyh h ALA 17 Ca -0.29 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3lyh h ALA 17 Cb 1.12 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 3lyh h ALA 17 CO 0.99 0.10 0.45 -0.09 0.00 0.00 0.00 179.25 180.70 3lyh h ARG 18 N 0.69 1.07 0.32 0.00 2.43 -1.99 -0.73 114.38 116.18 3lyh h ARG 18 Ca 0.19 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3lyh h ARG 18 Cb -0.06 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.25 3lyh h ARG 18 CO -0.04 0.77 -0.33 2.35 -1.51 0.00 0.00 179.97 181.22 3lyh h TRP 19 N 1.07 -0.88 -0.61 2.20 2.91 -1.92 -1.42 115.95 117.30 3lyh h TRP 19 Ca 0.28 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.29 3lyh h TRP 19 Cb -0.00 0.34 -0.03 0.00 -0.51 0.00 0.00 29.16 28.96 3lyh h TRP 19 CO -0.00 -0.47 0.34 0.00 -1.03 0.00 0.00 178.44 177.28 3lyh h GLU 21 N 0.82 0.72 -0.49 0.00 4.81 -1.06 0.14 114.58 119.52 3lyh h GLU 21 Ca 0.21 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 3lyh h GLU 21 Cb 0.03 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 3lyh h GLU 21 CO -0.04 0.47 0.26 1.15 -0.73 0.00 0.00 179.01 180.13 3lyh h THR 22 N 0.74 1.17 -0.29 0.32 2.02 -0.90 -1.43 112.91 114.54 3lyh h THR 22 Ca 0.37 -0.44 -0.14 0.00 0.77 0.00 0.00 66.41 66.98 3lyh h THR 22 Cb 0.34 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3lyh h THR 22 CO -0.24 0.18 -0.37 -0.26 0.37 0.00 0.00 175.52 175.20 3lyh h PHE 23 N 0.64 0.80 -0.73 3.16 -1.00 -0.98 -0.89 116.94 117.94 3lyh h PHE 23 Ca 0.17 -0.23 -0.00 0.00 2.81 0.00 0.00 57.97 60.72 3lyh h PHE 23 Cb 0.06 -0.17 -0.04 0.00 3.61 0.00 0.00 35.95 39.41 3lyh h PHE 23 CO -0.02 0.95 0.45 0.93 -1.61 0.00 0.00 178.31 179.01 3lyh h GLU 24 N 0.56 0.99 -0.58 1.51 4.39 -0.59 -0.94 114.58 119.92 3lyh h GLU 24 Ca 0.05 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 3lyh h GLU 24 Cb 0.90 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 3lyh h GLU 24 CO 0.08 0.69 0.01 0.87 -1.16 0.00 0.00 179.01 179.50 3lyh h LYS 25 N 1.00 0.99 -0.71 2.33 6.56 -1.08 -1.59 116.57 124.06 3lyh h LYS 25 Ca 0.26 -0.29 0.01 0.00 -1.06 0.00 0.00 60.65 59.58 3lyh h LYS 25 Cb -0.05 -0.10 -0.04 0.00 -0.57 0.00 0.00 32.23 31.47 3lyh h LYS 25 CO -0.05 0.96 0.47 -0.07 -2.06 0.00 0.00 179.45 178.71 3lyh h LEU 26 N 0.91 0.80 0.00 2.94 3.38 -0.66 -2.67 115.31 120.01 3lyh h LEU 26 Ca 0.17 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3lyh h LEU 26 Cb 0.51 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3lyh h LEU 26 CO 0.03 0.57 -0.06 0.00 0.09 0.00 0.00 178.44 179.07 3lyh h ALA 27 N 1.56 0.97 -0.49 1.53 0.00 -0.78 -3.40 119.26 118.65 3lyh h ALA 27 Ca 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3lyh h ALA 27 Cb -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3lyh h ALA 27 CO -0.06 0.00 0.29 1.49 0.00 0.00 0.00 179.25 180.97 3lyh h GLU 28 N 0.00 0.67 -0.95 0.00 4.81 -0.93 -0.76 114.58 117.42 3lyh h GLU 28 Ca 0.00 -0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.24 3lyh h GLU 28 Cb 1.00 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 30.17 3lyh h GLU 28 CO 0.00 0.50 0.60 -1.35 -0.73 0.00 0.00 179.01 178.04 3lyh h PRO 29 N 0.66 1.04 0.20 0.92 0.11 -1.78 -0.71 132.00 132.44 3lyh h PRO 29 Ca 0.18 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 3lyh h PRO 29 Cb 0.01 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 30.88 3lyh h PRO 29 CO -0.03 0.69 -0.09 1.15 -0.21 0.00 0.00 178.00 179.50 3lyh h THR 30 N 1.08 0.89 -0.91 -1.15 2.02 -1.66 -1.59 112.91 111.58 3lyh h THR 30 Ca 0.42 -0.48 0.04 0.00 0.77 0.00 0.00 66.41 67.16 3lyh h THR 30 Cb 0.22 1.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.75 3lyh h THR 30 CO -0.19 0.11 0.60 0.58 0.37 0.00 0.00 175.52 176.99 3lyh h VAL 31 N -0.50 1.15 0.00 3.16 2.07 -0.90 -1.48 116.25 119.75 3lyh h VAL 31 Ca -0.03 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 3lyh h VAL 31 Cb 0.38 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 3lyh h VAL 31 CO 0.04 0.21 -0.86 -0.33 0.02 0.00 0.00 177.57 176.65 3lyh h GLU 32 N 1.13 0.00 0.00 1.57 4.39 -1.18 -3.39 114.58 117.11 3lyh h GLU 32 Ca 0.36 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.93 3lyh h GLU 32 Cb 0.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3lyh h GLU 32 CO -0.11 0.18 -1.77 0.43 -1.16 0.00 0.00 179.01 176.57 3lyh n SER 33 N -2.92 0.37 -4.38 1.42 7.64 -0.60 -4.95 113.62 110.20 3lyh n SER 33 Ca -0.02 0.16 -0.31 0.00 1.01 0.00 0.00 58.87 59.71 3lyh n SER 33 Cb 0.67 1.02 -0.14 0.00 -1.01 0.00 0.00 64.21 64.75 3lyh n SER 33 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3lyh s ILE 34 N -3.10 2.38 0.48 0.44 -1.09 -0.59 -5.07 121.20 114.65 3lyh s ILE 34 Ca -0.06 -1.25 -0.21 0.00 -2.23 0.00 0.00 60.65 56.90 3lyh s ILE 34 Cb 0.10 -1.94 -0.08 0.00 -1.58 0.00 0.00 42.46 38.96 3lyh s ILE 34 CO 0.85 0.40 1.06 -1.61 -1.23 0.00 0.00 174.94 174.41 3lyh s GLU 35 N -1.18 3.80 -1.21 2.79 0.41 -1.26 -4.25 118.70 117.79 3lyh s GLU 35 Ca 0.12 1.46 -0.00 0.00 -0.41 0.00 0.00 54.97 56.14 3lyh s GLU 35 Cb -0.10 -2.19 -0.00 0.00 -1.78 0.00 0.00 34.13 30.06 3lyh s GLU 35 CO 0.02 -0.45 0.97 0.09 -0.49 0.00 0.00 175.26 175.40 3lyh n ASN 36 N -0.80 -2.03 -3.99 -0.19 3.02 -1.26 -4.80 115.26 105.20 3lyh n ASN 36 Ca 0.09 -0.64 -0.19 0.00 -0.03 0.00 0.00 54.58 53.80 3lyh n ASN 36 Cb 0.51 -5.02 -0.15 0.00 -0.61 0.00 0.00 39.78 34.51 3lyh n ASN 36 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3lyh s ALA 37 N -3.39 0.78 -0.01 5.41 0.00 -1.26 -0.37 121.76 122.92 3lyh s ALA 37 Ca 0.01 -0.31 -0.15 0.00 0.00 0.00 0.00 51.96 51.51 3lyh s ALA 37 Cb -0.00 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.86 3lyh s ALA 37 CO 0.74 0.13 0.31 0.00 0.00 0.00 0.00 175.76 176.95 3lyh s ALA 38 N 0.13 -0.78 0.17 0.00 0.00 -0.49 -4.69 121.76 116.10 3lyh s ALA 38 Ca -0.02 0.29 -0.16 0.00 0.00 0.00 0.00 51.96 52.07 3lyh s ALA 38 Cb -0.07 0.11 -0.07 0.00 0.00 0.00 0.00 23.12 23.08 3lyh s ALA 38 CO 0.00 -0.28 0.61 -1.50 0.00 0.00 0.00 175.76 174.59 3lyh s ILE 39 N -1.50 4.76 0.05 0.00 2.07 -1.26 -0.21 121.20 125.10 3lyh s ILE 39 Ca -0.12 0.98 -0.00 0.00 -1.41 0.00 0.00 60.65 60.10 3lyh s ILE 39 Cb -0.05 -3.77 -0.03 0.00 0.13 0.00 0.00 42.46 38.74 3lyh s ILE 39 CO 0.03 0.22 -0.04 0.00 -1.91 0.00 0.00 174.94 173.25 3lyh s ALA 40 N -1.49 0.45 0.00 1.50 0.00 0.20 -4.71 121.76 117.71 3lyh s ALA 40 Ca 0.40 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3lyh s ALA 40 Cb -0.15 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.16 3lyh s ALA 40 CO 0.20 -0.25 0.00 0.66 0.00 0.00 0.00 175.76 176.37 3lyh n TYR 41 N 0.70 0.00 -0.74 0.00 4.01 -0.33 -1.00 117.16 119.80 3lyh n TYR 41 Ca -0.18 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.27 3lyh n TYR 41 Cb 0.58 0.00 0.24 0.00 -0.31 0.00 0.00 39.34 39.86 3lyh n TYR 41 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 3lyh s GLU 43 N 1.95 -1.16 0.00 -0.72 1.03 -1.26 -3.78 118.70 114.76 3lyh s GLU 43 Ca 0.00 0.44 0.00 0.00 0.03 0.00 0.00 54.97 55.44 3lyh s GLU 43 Cb 0.00 -1.56 0.00 0.00 -0.80 0.00 0.00 34.13 31.77 3lyh s GLU 43 CO 0.00 -3.78 0.00 1.28 -1.33 0.00 0.00 175.26 171.43 3lyh n LEU 44 N -4.90 0.00 -4.01 1.83 4.77 -1.26 -2.66 117.00 110.77 3lyh n LEU 44 Ca 0.07 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.97 3lyh n LEU 44 Cb 0.57 -0.34 -0.10 0.00 -2.33 0.00 0.00 43.42 41.22 3lyh n LEU 44 CO 0.53 0.00 -0.32 0.00 -1.33 0.00 0.00 177.39 176.26 3lyh s ALA 45 N -1.13 0.24 0.09 -1.18 0.00 -1.26 -4.32 121.76 114.19 3lyh s ALA 45 Ca 0.00 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.14 3lyh s ALA 45 Cb 0.00 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 3lyh s ALA 45 CO 0.00 -0.29 0.11 -1.21 0.00 0.00 0.00 175.76 174.37 3lyh s GLU 46 N -2.84 2.99 0.24 0.00 0.41 -1.26 -4.11 118.70 114.14 3lyh s GLU 46 Ca -0.03 -0.67 -0.20 0.00 -0.41 0.00 0.00 54.97 53.66 3lyh s GLU 46 Cb 0.00 -2.78 -0.08 0.00 -1.78 0.00 0.00 34.13 29.49 3lyh s GLU 46 CO -0.06 0.56 0.74 -1.25 -0.49 0.00 0.00 175.26 174.77 3lyh s PRO 47 N -2.52 4.26 0.86 0.39 0.04 -1.26 -4.92 135.00 131.84 3lyh s PRO 47 Ca 0.31 0.89 -0.12 0.00 0.04 0.00 0.00 61.00 62.12 3lyh s PRO 47 Cb -0.12 -2.83 0.11 0.00 0.04 0.00 0.00 34.50 31.70 3lyh s PRO 47 CO 0.23 0.36 1.14 -1.54 0.04 0.00 0.00 177.00 177.24 3lyh s SER 48 N -1.70 3.99 0.24 6.66 1.04 -1.26 -1.18 113.70 121.49 3lyh s SER 48 Ca 0.45 0.95 -0.06 0.00 0.48 0.00 0.00 55.95 57.77 3lyh s SER 48 Cb -0.16 -1.53 0.25 0.00 0.10 0.00 0.00 66.02 64.67 3lyh s SER 48 CO 0.21 -2.25 1.92 0.25 0.98 0.00 0.00 173.24 174.34 3lyh h LEU 49 N -1.29 1.14 -0.35 2.42 5.85 -1.92 -2.28 115.31 118.88 3lyh h LEU 49 Ca -0.49 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.26 3lyh h LEU 49 Cb 1.32 -0.29 -0.07 0.00 0.37 0.00 0.00 40.66 42.00 3lyh h LEU 49 CO 0.63 0.84 -0.09 0.44 -0.34 0.00 0.00 178.44 179.92 3lyh h ASP 50 N 1.33 -0.34 -0.58 1.25 5.19 -1.93 -0.36 116.42 120.99 3lyh h ASP 50 Ca 0.36 0.11 -0.05 0.00 -0.62 0.00 0.00 57.03 56.83 3lyh h ASP 50 Cb -0.13 0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.58 3lyh h ASP 50 CO -0.07 -0.12 0.18 0.74 -3.12 0.00 0.00 179.24 176.84 3lyh h THR 51 N -0.00 1.24 -0.43 0.35 2.02 -1.84 0.26 112.91 114.51 3lyh h THR 51 Ca 0.17 -0.83 -0.10 0.00 0.77 0.00 0.00 66.41 66.43 3lyh h THR 51 Cb 0.26 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3lyh h THR 51 CO -0.37 0.31 -0.11 0.40 0.37 0.00 0.00 175.52 176.13 3lyh h ILE 52 N 0.82 1.27 -0.35 3.11 1.08 -1.25 -1.42 117.51 120.78 3lyh h ILE 52 Ca 0.19 -1.21 -0.06 0.00 -0.39 0.00 0.00 64.86 63.38 3lyh h ILE 52 Cb 0.29 1.18 -0.01 0.00 -3.07 0.00 0.00 36.82 35.21 3lyh h ILE 52 CO -0.00 0.41 -0.04 0.58 -0.69 0.00 0.00 178.15 178.41 3lyh h VAL 53 N 0.65 1.27 -0.88 1.67 2.07 -0.82 -0.75 116.25 119.46 3lyh h VAL 53 Ca 0.11 -1.05 0.08 0.00 0.82 0.00 0.00 66.70 66.66 3lyh h VAL 53 Cb 0.64 1.26 -0.07 0.00 -1.52 0.00 0.00 31.29 31.60 3lyh h VAL 53 CO 0.04 0.34 0.54 -1.13 0.02 0.00 0.00 177.57 177.39 3lyh h ASN 54 N 0.43 0.83 -0.20 0.57 -1.24 -0.45 0.10 115.58 115.63 3lyh h ASN 54 Ca 0.09 0.03 -0.12 0.00 0.71 0.00 0.00 56.30 57.01 3lyh h ASN 54 Cb 0.51 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 39.42 3lyh h ASN 54 CO 0.02 0.51 -0.33 0.03 -1.29 0.00 0.00 177.43 176.37 3lyh h ARG 55 N 0.95 0.58 -0.51 6.67 3.08 -1.03 0.77 114.38 124.89 3lyh h ARG 55 Ca 0.40 -0.36 -0.12 0.00 0.07 0.00 0.00 59.98 59.98 3lyh h ARG 55 Cb 0.25 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3lyh h ARG 55 CO -0.20 0.96 -0.14 0.00 -1.07 0.00 0.00 179.97 179.53 3lyh h ALA 56 N 0.61 0.79 -0.19 0.04 0.00 -0.89 -2.72 119.26 116.91 3lyh h ALA 56 Ca 0.02 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3lyh h ALA 56 Cb 0.92 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3lyh h ALA 56 CO 0.08 0.66 0.02 -0.22 0.00 0.00 0.00 179.25 179.79 3lyh h LYS 57 N 0.87 0.32 -0.15 0.00 1.63 -0.96 0.83 116.57 119.11 3lyh h LYS 57 Ca 0.13 -0.09 0.04 0.00 -0.85 0.00 0.00 60.65 59.88 3lyh h LYS 57 Cb 0.69 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.28 3lyh h LYS 57 CO 0.05 0.50 0.29 0.78 -3.45 0.00 0.00 179.45 177.62 3lyh h GLY 58 N 0.10 0.00 -2.94 5.01 0.00 -0.83 -0.38 103.07 104.04 3lyh h GLY 58 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3lyh h GLY 58 CO 0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.49 3lyh n GLN 59 N -3.36 3.53 -0.55 4.80 1.13 -0.84 -4.98 117.38 117.10 3lyh n GLN 59 Ca 0.01 -2.84 0.00 0.00 -1.94 0.00 0.00 57.00 52.23 3lyh n GLN 59 Cb 0.39 -1.82 0.00 0.00 0.11 0.00 0.00 30.24 28.92 3lyh n GLN 59 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3lyh n GLY 60 N 1.19 0.75 3.71 1.08 0.00 -0.15 -5.04 105.19 106.74 3lyh n GLY 60 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 3lyh n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lyh s VAL 61 N -2.62 4.96 -0.08 1.61 1.01 0.23 -4.93 120.40 120.58 3lyh s VAL 61 Ca 0.00 1.72 0.03 0.00 0.00 0.00 0.00 61.98 63.73 3lyh s VAL 61 Cb 0.00 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 3lyh s VAL 61 CO 0.00 0.21 0.10 -0.62 0.00 0.00 0.00 175.10 174.79 3lyh n GLU 62 N 3.82 3.33 -5.04 2.72 -0.58 -1.26 -3.65 120.64 119.98 3lyh n GLU 62 Ca 0.02 -0.01 -0.32 0.00 -0.42 0.00 0.00 57.16 56.43 3lyh n GLU 62 Cb 0.51 -0.84 -0.17 0.00 -0.57 0.00 0.00 31.44 30.38 3lyh n GLU 62 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3lyh s GLN 63 N -1.70 3.06 0.09 3.49 -1.52 -1.26 -2.05 119.66 119.76 3lyh s GLN 63 Ca 0.00 -0.86 0.05 0.00 -1.95 0.00 0.00 55.36 52.59 3lyh s GLN 63 Cb 0.02 -2.36 -0.03 0.00 -0.22 0.00 0.00 33.01 30.42 3lyh s GLN 63 CO 0.12 0.13 -0.12 -0.06 -0.25 0.00 0.00 175.29 175.11 3lyh s PHE 64 N 0.48 1.16 -0.08 0.91 0.40 -0.15 -1.25 117.98 119.44 3lyh s PHE 64 Ca -0.15 -0.55 -0.00 0.00 -0.60 0.00 0.00 56.93 55.63 3lyh s PHE 64 Cb -0.17 -0.64 0.02 0.00 0.51 0.00 0.00 43.02 42.75 3lyh s PHE 64 CO 0.06 0.05 -0.04 0.99 0.70 0.00 0.00 175.22 176.97 3lyh s THR 65 N -1.86 0.72 -0.25 0.64 2.01 -0.35 -1.28 115.64 115.27 3lyh s THR 65 Ca 0.02 -0.12 -0.22 0.00 0.31 0.00 0.00 61.69 61.69 3lyh s THR 65 Cb -0.07 -0.78 -0.02 0.00 0.01 0.00 0.00 72.50 71.65 3lyh s THR 65 CO 0.02 0.31 0.69 -0.69 -0.69 0.00 0.00 174.62 174.25 3lyh s VAL 66 N 1.63 4.94 -0.40 3.82 1.01 0.07 -1.30 120.40 130.17 3lyh s VAL 66 Ca 0.01 1.27 -0.07 0.00 0.00 0.00 0.00 61.98 63.19 3lyh s VAL 66 Cb -0.13 -3.99 0.08 0.00 0.00 0.00 0.00 36.38 32.34 3lyh s VAL 66 CO -0.05 0.00 0.21 -0.69 0.00 0.00 0.00 175.10 174.57 3lyh s VAL 67 N 2.57 3.93 0.04 2.92 1.01 0.22 -0.54 120.40 130.55 3lyh s VAL 67 Ca 0.29 -1.47 -0.30 0.00 0.00 0.00 0.00 61.98 60.50 3lyh s VAL 67 Cb -0.15 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 32.74 3lyh s VAL 67 CO 0.08 -0.47 1.54 -2.84 0.00 0.00 0.00 175.10 173.42 3lyh s PRO 68 N 1.36 4.23 -1.40 2.72 0.02 -1.26 -1.23 135.00 139.45 3lyh s PRO 68 Ca 0.03 2.17 -0.09 0.00 0.02 0.00 0.00 61.00 63.13 3lyh s PRO 68 Cb -0.22 -3.59 0.08 0.00 0.02 0.00 0.00 34.50 30.79 3lyh s PRO 68 CO 0.01 -0.67 2.34 1.28 -0.33 0.00 0.00 177.00 179.63 3lyh n LEU 69 N 5.51 7.62 -3.97 -5.54 4.77 0.95 -1.78 117.00 124.56 3lyh n LEU 69 Ca 0.15 -4.59 -0.19 0.00 -0.03 0.00 0.00 56.01 51.34 3lyh n LEU 69 Cb 0.42 -1.48 -0.15 0.00 -2.33 0.00 0.00 43.42 39.87 3lyh n LEU 69 CO 0.61 1.72 -0.42 -0.36 -1.33 0.00 0.00 177.39 177.60 3lyh s PHE 70 N 0.67 0.80 0.21 -1.77 0.40 -1.26 -4.78 117.98 112.24 3lyh s PHE 70 Ca 0.52 -0.19 0.04 0.00 -0.60 0.00 0.00 56.93 56.70 3lyh s PHE 70 Cb 0.15 -0.59 0.14 0.00 0.51 0.00 0.00 43.02 43.23 3lyh s PHE 70 CO -0.06 -0.09 1.48 -0.07 0.70 0.00 0.00 175.22 177.18 3lyh h LEU 71 N 6.44 0.26 -7.43 -0.37 3.38 -1.94 -1.68 115.31 113.98 3lyh h LEU 71 Ca -0.33 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.35 3lyh h LEU 71 Cb 1.17 -0.08 -0.21 0.00 0.09 0.00 0.00 40.66 41.64 3lyh h LEU 71 CO 0.49 0.89 -0.22 0.00 0.09 0.00 0.00 178.44 179.69 3lyh s ALA 72 N -3.52 -0.92 0.19 1.53 0.00 -1.26 -3.84 121.76 113.93 3lyh s ALA 72 Ca -0.03 0.57 -0.30 0.00 0.00 0.00 0.00 51.96 52.20 3lyh s ALA 72 Cb 0.11 -0.07 -0.08 0.00 0.00 0.00 0.00 23.12 23.09 3lyh s ALA 72 CO 0.81 -0.26 0.98 0.00 0.00 0.00 0.00 175.76 177.30 3lyh s ALA 73 N -1.02 3.31 0.00 0.00 0.00 -1.26 -5.08 121.76 117.71 3lyh s ALA 73 Ca -0.11 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.51 3lyh s ALA 73 Cb -0.04 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.81 3lyh s ALA 73 CO 0.04 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.24 3lyh n GLY 74 N 1.83 -0.62 5.27 0.00 0.00 -1.26 -4.95 105.19 105.47 3lyh n GLY 74 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3lyh n GLY 74 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3lyh n HIS 76 N 0.00 0.00 0.27 1.61 -0.00 -1.26 -0.74 115.22 115.10 3lyh n HIS 76 Ca 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 57.72 57.89 3lyh n HIS 76 Cb 0.00 0.00 0.83 0.00 -0.00 0.00 0.00 29.99 30.82 3lyh n HIS 76 CO 0.00 0.00 0.00 1.37 -0.00 0.00 0.00 176.34 177.71 3lyh h LEU 77 N 0.00 0.00 -2.03 2.39 -0.00 -1.99 0.76 115.31 114.45 3lyh h LEU 77 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.88 57.98 3lyh h LEU 77 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 3lyh h LEU 77 CO 0.00 0.00 0.39 0.03 -0.00 0.00 0.00 178.44 178.86 3lyh h ARG 78 N 0.00 0.00 0.00 0.17 3.08 -1.30 -3.12 114.38 113.21 3lyh h ARG 78 Ca 0.05 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.78 3lyh h ARG 78 Cb 0.70 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.70 3lyh h ARG 78 CO -0.00 0.00 -2.15 1.63 -1.07 0.00 0.00 179.97 178.38 3lyh n LYS 79 N -3.71 0.48 -0.12 0.04 4.01 0.26 -4.57 118.16 114.54 3lyh n LYS 79 Ca 0.06 0.15 -0.11 0.00 -0.51 0.00 0.00 58.31 57.90 3lyh n LYS 79 Cb 0.55 -1.34 -0.02 0.00 -0.51 0.00 0.00 35.03 33.70 3lyh n LYS 79 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 3lyh h ASP 80 N -0.30 0.67 -0.19 4.39 5.19 -1.58 -2.88 116.42 121.73 3lyh h ASP 80 Ca -0.48 -0.34 -0.04 0.00 -0.62 0.00 0.00 57.03 55.55 3lyh h ASP 80 Cb 1.60 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.92 3lyh h ASP 80 CO -0.17 0.85 -0.06 0.58 -3.12 0.00 0.00 179.24 177.33 3lyh h VAL 81 N 0.48 1.29 -0.92 -1.35 2.07 -1.83 -2.81 116.25 113.18 3lyh h VAL 81 Ca 0.10 -1.05 0.08 0.00 0.82 0.00 0.00 66.70 66.65 3lyh h VAL 81 Cb 0.53 1.60 -0.06 0.00 -1.52 0.00 0.00 31.29 31.84 3lyh h VAL 81 CO 0.03 0.32 0.60 -0.65 0.02 0.00 0.00 177.57 177.88 3lyh h PRO 82 N 0.08 0.96 -1.62 1.57 0.11 -1.80 -0.36 132.00 130.94 3lyh h PRO 82 Ca 0.05 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3lyh h PRO 82 Cb 0.51 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.40 3lyh h PRO 82 CO 0.02 0.64 0.00 0.00 -0.21 0.00 0.00 178.00 178.45 3lyh n ALA 83 N -2.39 1.95 0.00 -0.75 0.00 -1.06 -1.38 120.51 116.88 3lyh n ALA 83 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3lyh n ALA 83 Cb 0.25 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3lyh n ALA 83 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3lyh n ILE 85 N 0.86 0.00 -0.29 0.00 5.41 -0.15 -2.05 119.36 123.15 3lyh n ILE 85 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 3lyh n ILE 85 Cb 0.21 0.00 0.08 0.00 -0.71 0.00 0.00 39.64 39.21 3lyh n ILE 85 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3lyh h GLU 86 N 0.00 1.01 -0.41 0.38 4.57 -1.48 -0.38 114.58 118.26 3lyh h GLU 86 Ca 0.00 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.05 3lyh h GLU 86 Cb 0.00 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.35 3lyh h GLU 86 CO 0.00 0.67 -0.02 -0.09 -1.18 0.00 0.00 179.01 178.39 3lyh h ARG 87 N 1.04 0.73 -0.54 1.92 2.43 -1.68 -2.37 114.38 115.91 3lyh h ARG 87 Ca 0.30 -0.24 -0.09 0.00 -0.81 0.00 0.00 59.98 59.13 3lyh h ARG 87 Cb -0.08 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 3lyh h ARG 87 CO -0.08 0.82 -0.03 -0.07 -1.51 0.00 0.00 179.97 179.11 3lyh h LEU 88 N 0.56 0.96 -0.76 3.80 3.38 -1.75 0.44 115.31 121.93 3lyh h LEU 88 Ca 0.11 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.79 3lyh h LEU 88 Cb 0.50 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3lyh h LEU 88 CO 0.02 1.05 0.49 -0.33 0.09 0.00 0.00 178.44 179.76 3lyh h GLU 89 N 0.85 0.95 -0.06 1.13 5.08 -1.02 0.69 114.58 122.20 3lyh h GLU 89 Ca 0.15 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 3lyh h GLU 89 Cb 0.57 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3lyh h GLU 89 CO 0.03 0.63 -0.27 0.00 -1.00 0.00 0.00 179.01 178.40 3lyh h ALA 90 N 1.31 0.11 -0.66 3.43 0.00 -1.19 0.55 119.26 122.81 3lyh h ALA 90 Ca 0.30 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3lyh h ALA 90 Cb -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3lyh h ALA 90 CO -0.09 0.13 0.35 1.49 0.00 0.00 0.00 179.25 181.12 3lyh h GLU 91 N -0.24 0.92 -0.01 0.00 4.81 -0.88 -3.25 114.58 115.93 3lyh h GLU 91 Ca -0.02 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3lyh h GLU 91 Cb 0.93 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.13 3lyh h GLU 91 CO 0.06 0.69 -0.20 0.72 -0.73 0.00 0.00 179.01 179.55 3lyh n HIS 92 N -4.36 0.00 -3.57 0.92 8.25 0.23 -5.02 115.22 111.66 3lyh n HIS 92 Ca 0.06 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.33 3lyh n HIS 92 Cb 0.11 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.28 3lyh n HIS 92 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3lyh n GLY 93 N 0.94 -0.32 3.46 -1.41 0.00 0.16 -5.02 105.19 102.99 3lyh n GLY 93 Ca 0.06 0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 3lyh n GLY 93 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3lyh s VAL 94 N -3.53 1.42 -0.19 1.61 -7.23 -1.05 -5.02 120.40 106.41 3lyh s VAL 94 Ca 0.00 -2.04 -0.03 0.00 -1.81 0.00 0.00 61.98 58.10 3lyh s VAL 94 Cb -0.00 -2.69 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 3lyh s VAL 94 CO 0.77 -0.11 -0.07 -0.89 -0.31 0.00 0.00 175.10 174.50 3lyh s THR 95 N -3.14 3.34 -0.18 5.32 2.01 -0.87 -4.52 115.64 117.60 3lyh s THR 95 Ca 0.34 -0.52 -0.01 0.00 0.31 0.00 0.00 61.69 61.81 3lyh s THR 95 Cb 0.07 -2.48 0.05 0.00 0.01 0.00 0.00 72.50 70.14 3lyh s THR 95 CO 0.14 0.46 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.86 3lyh s ILE 96 N 1.07 1.10 0.17 1.82 1.01 -1.26 -0.98 121.20 124.13 3lyh s ILE 96 Ca 0.01 -0.69 -0.25 0.00 0.00 0.00 0.00 60.65 59.72 3lyh s ILE 96 Cb -0.15 -1.32 -0.08 0.00 0.01 0.00 0.00 42.46 40.92 3lyh s ILE 96 CO -0.01 0.07 0.77 -0.60 0.00 0.00 0.00 174.94 175.17 3lyh s ARG 97 N 1.63 4.54 -0.41 2.79 3.52 -0.40 -4.95 118.95 125.66 3lyh s ARG 97 Ca -0.00 1.14 -0.12 0.00 -0.13 0.00 0.00 55.73 56.61 3lyh s ARG 97 Cb -0.16 -3.23 0.05 0.00 -1.56 0.00 0.00 34.95 30.05 3lyh s ARG 97 CO -0.07 0.56 0.28 -1.17 -0.81 0.00 0.00 175.30 174.08 3lyh s LEU 98 N -1.22 5.11 0.75 -0.88 2.96 -1.26 -0.75 118.68 123.38 3lyh s LEU 98 Ca 0.36 -1.18 -0.11 0.00 -0.22 0.00 0.00 54.13 52.98 3lyh s LEU 98 Cb -0.23 -2.07 0.04 0.00 0.50 0.00 0.00 46.19 44.43 3lyh s LEU 98 CO 0.26 -0.50 1.08 0.00 -1.32 0.00 0.00 176.35 175.87 3lyh s ALA 99 N 1.56 2.40 0.70 5.97 0.00 0.29 -4.97 121.76 127.72 3lyh s ALA 99 Ca 0.03 -0.01 -0.16 0.00 0.00 0.00 0.00 51.96 51.82 3lyh s ALA 99 Cb -0.21 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 19.77 3lyh s ALA 99 CO 0.06 -1.54 1.20 -1.21 0.00 0.00 0.00 175.76 174.27 3lyh s GLU 100 N -5.06 2.31 0.57 0.00 0.41 -1.26 -4.48 118.70 111.18 3lyh s GLU 100 Ca 0.60 1.75 -0.21 0.00 -0.41 0.00 0.00 54.97 56.70 3lyh s GLU 100 Cb -0.15 -1.85 -0.04 0.00 -1.78 0.00 0.00 34.13 30.31 3lyh s GLU 100 CO 0.55 -1.70 1.34 -1.25 -0.49 0.00 0.00 175.26 173.71 3lyh s PRO 101 N -3.83 3.03 0.48 0.39 0.04 -1.26 -4.31 135.00 129.53 3lyh s PRO 101 Ca 0.74 2.19 0.22 0.00 0.04 0.00 0.00 61.00 64.19 3lyh s PRO 101 Cb -0.29 -2.17 1.24 0.00 0.04 0.00 0.00 34.50 33.32 3lyh s PRO 101 CO 0.43 -1.27 1.92 -0.84 0.04 0.00 0.00 177.00 177.29 3lyh h ILE 102 N 1.26 0.71 0.00 0.56 3.07 -1.19 -1.63 117.51 120.29 3lyh h ILE 102 Ca -0.51 -0.07 0.00 0.00 1.55 0.00 0.00 64.86 65.83 3lyh h ILE 102 Cb 1.31 0.47 0.00 0.00 -0.27 0.00 0.00 36.82 38.33 3lyh h ILE 102 CO 0.56 0.04 0.00 1.23 -1.05 0.00 0.00 178.15 178.93 3lyh h GLY 103 N 0.22 0.00 2.00 0.16 0.00 -1.41 -1.60 103.07 102.43 3lyh h GLY 103 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 3lyh h GLY 103 CO -0.08 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.74 3lyh n LYS 104 N -2.64 0.13 -3.06 4.80 4.76 -0.61 -4.85 118.16 116.69 3lyh n LYS 104 Ca -0.01 0.20 -0.40 0.00 -2.87 0.00 0.00 58.31 55.24 3lyh n LYS 104 Cb 0.15 -1.68 -0.05 0.00 -1.84 0.00 0.00 35.03 31.61 3lyh n LYS 104 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3lyh s ASN 105 N -3.80 7.02 0.59 4.39 3.84 -0.60 -4.94 114.94 121.43 3lyh s ASN 105 Ca 0.10 1.22 0.28 0.00 0.21 0.00 0.00 52.86 54.67 3lyh s ASN 105 Cb 0.13 -2.41 1.62 0.00 -0.55 0.00 0.00 41.25 40.04 3lyh s ASN 105 CO 0.48 -0.06 2.08 -0.65 -2.79 0.00 0.00 177.10 176.16 3lyh h PRO 106 N 6.40 0.00 -0.70 0.43 0.11 -1.88 -2.17 132.00 134.18 3lyh h PRO 106 Ca -0.42 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.76 3lyh h PRO 106 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 3lyh h PRO 106 CO 0.74 0.00 0.46 0.00 -0.21 0.00 0.00 178.00 178.99 3lyh h ARG 107 N 0.00 0.67 -0.42 1.05 3.08 -1.92 -2.56 114.38 114.28 3lyh h ARG 107 Ca 0.10 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 3lyh h ARG 107 Cb 0.57 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3lyh h ARG 107 CO -0.00 0.44 0.00 -0.07 -1.07 0.00 0.00 179.97 179.27 3lyh h LEU 108 N 0.69 0.72 -1.41 3.04 -0.00 -1.65 -1.46 115.31 115.24 3lyh h LEU 108 Ca 0.31 -0.31 0.05 0.00 -0.00 0.00 0.00 57.88 57.94 3lyh h LEU 108 Cb 0.32 -0.19 -0.04 0.00 -0.00 0.00 0.00 40.66 40.75 3lyh h LEU 108 CO -0.10 0.85 0.45 1.23 -0.00 0.00 0.00 178.44 180.87 3lyh h GLY 109 N 0.58 0.90 1.03 0.83 0.00 -1.60 0.52 103.07 105.33 3lyh h GLY 109 Ca 0.12 -0.30 -0.15 0.00 0.00 0.00 0.00 47.33 47.00 3lyh h GLY 109 CO 0.02 0.23 -0.43 1.41 0.00 0.00 0.00 176.54 177.78 3lyh h LEU 110 N 0.74 0.82 -0.55 3.11 3.38 -1.31 -1.77 115.31 119.73 3lyh h LEU 110 Ca 0.29 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 3lyh h LEU 110 Cb 0.19 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3lyh h LEU 110 CO -0.09 1.19 0.34 0.00 0.09 0.00 0.00 178.44 179.98 3lyh h ALA 111 N 0.66 0.70 -0.62 1.53 0.00 -0.88 -1.01 119.26 119.64 3lyh h ALA 111 Ca 0.02 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3lyh h ALA 111 Cb 1.03 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3lyh h ALA 111 CO 0.10 0.17 0.40 0.82 0.00 0.00 0.00 179.25 180.74 3lyh h ILE 112 N 0.75 1.12 -0.45 0.00 2.04 -0.81 -1.07 117.51 119.08 3lyh h ILE 112 Ca 0.20 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.83 3lyh h ILE 112 Cb -0.04 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.25 3lyh h ILE 112 CO -0.04 0.15 0.21 -0.09 0.00 0.00 0.00 178.15 178.38 3lyh h ARG 113 N 0.80 0.41 -0.96 2.37 2.43 -0.86 0.28 114.38 118.85 3lyh h ARG 113 Ca 0.24 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.40 3lyh h ARG 113 Cb -0.04 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.37 3lyh h ARG 113 CO -0.07 0.27 0.63 -0.44 -1.51 0.00 0.00 179.97 178.85 3lyh h ASP 114 N 0.43 1.09 -0.34 -3.80 3.32 -0.48 -0.26 116.42 116.38 3lyh h ASP 114 Ca 0.20 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 3lyh h ASP 114 Cb 0.13 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3lyh h ASP 114 CO -0.15 0.79 0.01 0.58 -1.72 0.00 0.00 179.24 178.74 3lyh h VAL 115 N 1.29 1.25 -0.87 -1.35 2.07 -0.73 -2.43 116.25 115.48 3lyh h VAL 115 Ca 0.36 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3lyh h VAL 115 Cb -0.13 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3lyh h VAL 115 CO -0.08 0.31 0.55 0.58 0.02 0.00 0.00 177.57 178.94 3lyh h VAL 116 N 0.40 1.24 -0.95 2.57 2.07 -0.54 -0.86 116.25 120.18 3lyh h VAL 116 Ca 0.10 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3lyh h VAL 116 Cb 0.43 -0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 3lyh h VAL 116 CO 0.01 0.24 0.61 0.11 0.02 0.00 0.00 177.57 178.56 3lyh h LYS 117 N 1.19 1.26 -0.70 1.57 1.57 -0.94 0.17 116.57 120.69 3lyh h LYS 117 Ca 0.32 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 3lyh h LYS 117 Cb -0.08 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 31.92 3lyh h LYS 117 CO -0.06 0.85 0.41 0.93 -0.57 0.00 0.00 179.45 181.01 3lyh h GLU 118 N 1.29 0.96 -0.25 3.15 5.08 -0.87 -1.56 114.58 122.38 3lyh h GLU 118 Ca 0.34 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.46 3lyh h GLU 118 Cb -0.12 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 28.93 3lyh h GLU 118 CO -0.07 0.69 -0.45 0.93 -1.00 0.00 0.00 179.01 179.11 3lyh h GLU 119 N 0.96 0.63 -0.31 2.33 4.39 -0.47 -1.76 114.58 120.36 3lyh h GLU 119 Ca 0.25 -0.35 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 3lyh h GLU 119 Cb -0.01 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3lyh h GLU 119 CO -0.05 0.95 0.10 1.25 -1.16 0.00 0.00 179.01 180.10 3lyh h LEU 120 N 0.51 0.45 -0.48 1.33 5.85 -0.55 -0.58 115.31 121.83 3lyh h LEU 120 Ca 0.03 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.61 3lyh h LEU 120 Cb 0.98 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.84 3lyh h LEU 120 CO 0.09 0.53 0.20 -0.08 -0.34 0.00 0.00 178.44 178.84 3lyh h GLU 121 N 0.34 0.39 -0.68 1.25 4.57 -1.15 0.33 114.58 119.64 3lyh h GLU 121 Ca 0.10 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.30 3lyh h GLU 121 Cb 0.24 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.70 3lyh h GLU 121 CO -0.00 0.26 0.41 -0.09 -1.18 0.00 0.00 179.01 178.41 3lyh h ARG 122 N 0.41 0.77 0.10 1.92 2.43 -1.08 0.64 114.38 119.57 3lyh h ARG 122 Ca 0.22 -0.05 -0.30 0.00 -0.81 0.00 0.00 59.98 59.05 3lyh h ARG 122 Cb 0.19 -0.17 0.03 0.00 -0.42 0.00 0.00 29.97 29.59 3lyh h ARG 122 CO -0.20 0.51 -1.22 0.77 -1.51 0.00 0.00 179.97 178.32 3lyh h SER 123 N 0.79 0.89 0.48 -3.80 0.02 -0.59 -3.37 113.55 107.97 3lyh h SER 123 Ca 0.29 -0.81 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 3lyh h SER 123 Cb 0.08 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.34 3lyh h SER 123 CO -0.13 1.61 -1.12 -0.62 -1.14 0.00 0.00 176.83 175.42 3lyh n GLU 124 N -3.80 0.38 0.00 3.45 1.02 0.11 -5.09 120.64 116.71 3lyh n GLU 124 Ca -0.13 -0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.13 3lyh n GLU 124 Cb 0.97 -1.63 0.78 0.00 -0.02 0.00 0.00 31.44 31.55 3lyh n GLU 124 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03