#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwd h PRO 4 N 0.00 -0.41 -1.00 -1.46 0.11 -2.05 -2.42 132.00 124.77 3dwd h PRO 4 Ca 0.00 0.03 0.23 0.00 0.11 0.00 0.00 66.00 66.37 3dwd h PRO 4 Cb 0.00 0.09 -0.10 0.00 0.11 0.00 0.00 31.00 31.11 3dwd h PRO 4 CO 0.00 -0.11 0.63 0.00 -0.21 0.00 0.00 178.00 178.31 3dwd h ARG 5 N -0.99 0.52 0.00 1.05 -0.00 -2.06 0.12 114.38 113.02 3dwd h ARG 5 Ca -0.04 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.98 59.35 3dwd h ARG 5 Cb 0.48 -0.12 -0.01 0.00 0.00 0.00 0.00 29.97 30.33 3dwd h ARG 5 CO 0.07 0.35 -0.45 1.79 0.00 0.00 0.00 179.97 181.72 3dwd h THR 6 N 0.54 0.34 0.32 2.04 1.35 -2.02 -3.31 112.91 112.17 3dwd h THR 6 Ca 0.57 -1.51 -0.01 0.00 -0.55 0.00 0.00 66.41 64.92 3dwd h THR 6 Cb 1.22 2.07 -0.01 0.00 -1.73 0.00 0.00 68.15 69.70 3dwd h THR 6 CO -0.32 0.19 -0.25 0.03 -0.25 0.00 0.00 175.52 174.92 3dwd h ARG 7 N 0.00 -0.55 -0.84 4.72 3.08 -0.23 -2.83 114.38 117.73 3dwd h ARG 7 Ca -0.02 0.04 0.21 0.00 0.07 0.00 0.00 59.98 60.28 3dwd h ARG 7 Cb 1.19 0.13 -0.14 0.00 0.08 0.00 0.00 29.97 31.22 3dwd h ARG 7 CO 0.03 -0.37 0.13 1.57 -1.07 0.00 0.00 179.97 180.26 3dwd h LYS 8 N -0.57 0.15 -0.24 0.04 -0.00 -1.63 -1.75 116.57 112.57 3dwd h LYS 8 Ca -0.02 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.65 60.58 3dwd h LYS 8 Cb 0.50 -0.03 -0.01 0.00 -0.00 0.00 0.00 32.23 32.69 3dwd h LYS 8 CO -0.01 0.10 -0.00 0.28 -0.00 0.00 0.00 179.45 179.82 3dwd h VAL 9 N 0.15 1.26 -0.47 0.07 2.07 -1.66 -2.47 116.25 115.20 3dwd h VAL 9 Ca 0.50 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 3dwd h VAL 9 Cb 0.96 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 3dwd h VAL 9 CO -0.68 0.28 0.25 -0.07 0.02 0.00 0.00 177.57 177.37 3dwd h LEU 10 N 0.19 0.57 -0.12 2.57 3.38 -1.10 -1.88 115.31 118.92 3dwd h LEU 10 Ca 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3dwd h LEU 10 Cb 0.41 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3dwd h LEU 10 CO 0.01 0.46 0.08 0.11 0.09 0.00 0.00 178.44 179.19 3dwd h LYS 11 N 0.65 0.16 -0.40 1.13 1.57 -0.97 0.83 116.57 119.53 3dwd h LYS 11 Ca 0.17 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.02 3dwd h LYS 11 Cb 0.02 -0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.21 3dwd h LYS 11 CO -0.03 0.11 -0.23 1.05 -0.57 0.00 0.00 179.45 179.78 3dwd h GLU 12 N 0.16 -0.15 -0.42 3.15 9.09 -1.00 0.20 114.58 125.61 3dwd h GLU 12 Ca 0.04 0.01 -0.12 0.00 0.05 0.00 0.00 59.36 59.34 3dwd h GLU 12 Cb -0.01 0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.11 3dwd h GLU 12 CO -0.01 -0.10 -0.22 0.28 0.05 0.00 0.00 179.01 179.01 3dwd h VAL 13 N -0.16 1.28 -0.07 -1.06 2.07 -1.03 -3.11 116.25 114.16 3dwd h VAL 13 Ca 0.19 -1.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 3dwd h VAL 13 Cb 0.46 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 3dwd h VAL 13 CO -0.50 0.46 0.03 0.03 0.02 0.00 0.00 177.57 177.61 3dwd h ARG 14 N 0.71 0.11 -0.95 1.57 3.08 0.10 -2.79 114.38 116.20 3dwd h ARG 14 Ca 0.09 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3dwd h ARG 14 Cb 0.78 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.82 3dwd h ARG 14 CO 0.06 0.21 0.00 1.55 -1.07 0.00 0.00 179.97 180.72 3dwd n VAL 15 N -4.96 0.25 -0.31 2.04 3.14 0.69 -3.90 118.33 115.28 3dwd n VAL 15 Ca -0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 3dwd n VAL 15 Cb 0.10 -0.51 0.00 0.00 -1.06 0.00 0.00 33.84 32.37 3dwd n VAL 15 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3dwd n GLN 16 N 0.44 3.16 -2.26 1.45 3.00 -1.05 -5.03 117.38 117.09 3dwd n GLN 16 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 3dwd n GLN 16 Cb 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.40 3dwd n GLN 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3dwd s ASP 17 N 0.87 5.70 -1.85 1.08 1.01 -1.26 -3.36 116.67 118.85 3dwd s ASP 17 Ca 0.00 -1.01 0.00 0.00 0.71 0.00 0.00 52.55 52.25 3dwd s ASP 17 Cb 0.00 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.37 3dwd s ASP 17 CO 0.00 -2.24 0.00 -0.62 0.21 0.00 0.00 175.17 172.52 3dwd n GLU 18 N 8.86 -1.44 0.00 8.23 1.02 -1.26 -2.57 120.64 133.48 3dwd n GLU 18 Ca 0.37 1.06 0.15 0.00 -0.02 0.00 0.00 57.16 58.72 3dwd n GLU 18 Cb 0.49 -5.50 0.70 0.00 -0.02 0.00 0.00 31.44 27.10 3dwd n GLU 18 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3dwd n ASN 19 N -1.40 0.32 -1.21 1.62 3.02 -1.22 -3.30 115.26 113.10 3dwd n ASN 19 Ca -0.21 -0.58 0.08 0.00 -0.03 0.00 0.00 54.58 53.84 3dwd n ASN 19 Cb 0.65 -0.11 0.29 0.00 -0.61 0.00 0.00 39.78 40.00 3dwd n ASN 19 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3dwd n ASN 20 N -0.99 4.25 -4.24 6.41 5.15 -1.25 -4.75 115.26 119.84 3dwd n ASN 20 Ca 0.16 -2.62 -0.24 0.00 -0.60 0.00 0.00 54.58 51.29 3dwd n ASN 20 Cb 0.24 -0.51 -0.13 0.00 -0.53 0.00 0.00 39.78 38.85 3dwd n ASN 20 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3dwd s VAL 21 N -2.14 1.55 0.17 3.44 -7.23 -1.21 -1.03 120.40 113.95 3dwd s VAL 21 Ca 0.43 -1.26 -0.32 0.00 -1.81 0.00 0.00 61.98 59.02 3dwd s VAL 21 Cb 0.31 -1.38 -0.11 0.00 0.56 0.00 0.00 36.38 35.75 3dwd s VAL 21 CO 0.16 0.07 1.75 0.00 -0.31 0.00 0.00 175.10 176.78 3dwd h PHE 23 N 7.55 0.54 0.00 0.00 3.57 -1.62 0.51 116.94 127.49 3dwd h PHE 23 Ca -0.44 0.01 -0.18 0.00 3.53 0.00 0.00 57.97 60.89 3dwd h PHE 23 Cb 1.21 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 3dwd h PHE 23 CO 0.70 0.25 -1.00 0.93 -2.23 0.00 0.00 178.31 176.97 3dwd h GLU 24 N 0.51 0.00 -0.00 1.11 4.39 -1.89 -3.43 114.58 115.26 3dwd h GLU 24 Ca 0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.01 3dwd h GLU 24 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3dwd h GLU 24 CO -0.10 0.95 -0.07 0.00 -1.16 0.00 0.00 179.01 178.63 3dwd n GLY 26 N 0.67 1.09 3.64 0.00 0.00 0.18 -4.92 105.19 105.85 3dwd n GLY 26 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3dwd n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dwd n ALA 27 N 0.64 0.57 -1.78 4.61 0.00 -1.26 -4.04 120.51 119.25 3dwd n ALA 27 Ca 0.00 0.26 -0.37 0.00 0.00 0.00 0.00 53.44 53.33 3dwd n ALA 27 Cb 0.00 -2.15 -0.05 0.00 0.00 0.00 0.00 19.45 17.26 3dwd n ALA 27 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3dwd s PHE 28 N -1.23 3.37 -1.20 0.00 2.99 -1.26 0.91 117.98 121.57 3dwd s PHE 28 Ca 0.62 1.67 -0.04 0.00 0.00 0.00 0.00 56.93 59.18 3dwd s PHE 28 Cb -0.55 -3.08 -0.02 0.00 0.00 0.00 0.00 43.02 39.37 3dwd s PHE 28 CO 0.57 -0.43 0.85 -1.71 -0.00 0.00 0.00 175.22 174.50 3dwd n ASN 29 N 0.10 -3.20 -4.58 1.36 5.15 -0.20 -4.88 115.26 109.02 3dwd n ASN 29 Ca 0.04 -0.76 -0.49 0.00 -0.60 0.00 0.00 54.58 52.77 3dwd n ASN 29 Cb 0.50 -4.55 -0.04 0.00 -0.53 0.00 0.00 39.78 35.16 3dwd n ASN 29 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3dwd n PRO 30 N -3.98 1.19 0.00 1.20 -0.04 -1.26 -4.88 135.00 127.24 3dwd n PRO 30 Ca -0.22 0.43 0.07 0.00 -0.04 0.00 0.00 63.50 63.73 3dwd n PRO 30 Cb 0.65 -1.93 0.02 0.00 -0.04 0.00 0.00 33.50 32.21 3dwd n PRO 30 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3dwd n GLN 31 N 1.75 1.48 -4.38 0.54 1.13 -1.06 -4.83 117.38 112.01 3dwd n GLN 31 Ca 0.15 -0.98 -0.19 0.00 -1.94 0.00 0.00 57.00 54.04 3dwd n GLN 31 Cb 0.25 -1.22 -0.10 0.00 0.11 0.00 0.00 30.24 29.27 3dwd n GLN 31 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 3dwd s TRP 32 N -1.45 1.76 0.05 1.08 0.52 0.08 -2.67 118.94 118.31 3dwd s TRP 32 Ca 0.13 -0.83 0.00 0.00 0.02 0.00 0.00 56.10 55.43 3dwd s TRP 32 Cb 0.11 -1.02 -0.03 0.00 -1.15 0.00 0.00 33.47 31.38 3dwd s TRP 32 CO 0.27 0.10 -0.04 0.14 0.02 0.00 0.00 176.95 177.43 3dwd s VAL 33 N -3.24 0.34 -0.42 4.03 -7.23 -0.71 0.34 120.40 113.51 3dwd s VAL 33 Ca 0.29 -1.47 -0.10 0.00 -1.81 0.00 0.00 61.98 58.89 3dwd s VAL 33 Cb 0.05 -1.06 0.07 0.00 0.56 0.00 0.00 36.38 36.00 3dwd s VAL 33 CO 0.10 -0.74 0.26 -0.55 -0.31 0.00 0.00 175.10 173.87 3dwd s SER 34 N -2.33 5.69 0.18 4.85 0.15 0.12 -2.19 113.70 120.15 3dwd s SER 34 Ca -0.01 -1.42 -0.13 0.00 0.70 0.00 0.00 55.95 55.09 3dwd s SER 34 Cb -0.00 -2.01 0.12 0.00 -1.71 0.00 0.00 66.02 62.42 3dwd s SER 34 CO -0.05 -0.52 1.79 0.58 1.20 0.00 0.00 173.24 176.24 3dwd h VAL 35 N 6.03 0.98 -0.60 4.45 2.07 -1.40 -2.19 116.25 125.59 3dwd h VAL 35 Ca -0.24 -0.18 0.25 0.00 0.82 0.00 0.00 66.70 67.35 3dwd h VAL 35 Cb 1.09 0.41 -0.11 0.00 -1.52 0.00 0.00 31.29 31.16 3dwd h VAL 35 CO 0.75 0.10 0.31 0.41 0.02 0.00 0.00 177.57 179.15 3dwd n THR 36 N -4.86 -0.25 -0.27 2.57 -1.04 -1.26 -1.13 114.28 108.04 3dwd n THR 36 Ca 0.04 1.21 0.01 0.00 -2.04 0.00 0.00 64.05 63.28 3dwd n THR 36 Cb 0.12 -1.96 0.02 0.00 -1.82 0.00 0.00 70.33 66.69 3dwd n THR 36 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3dwd n TYR 37 N -4.37 0.00 -2.08 -1.42 4.02 -0.86 -4.59 117.16 107.86 3dwd n TYR 37 Ca 0.22 -0.52 -0.19 0.00 -0.01 0.00 0.00 57.90 57.40 3dwd n TYR 37 Cb 0.75 -0.06 -0.04 0.00 -0.02 0.00 0.00 39.34 39.98 3dwd n TYR 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dwd n GLY 38 N -0.58 0.39 3.84 2.72 0.00 -0.28 -2.85 105.19 108.43 3dwd n GLY 38 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3dwd n GLY 38 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dwd s ILE 39 N -2.82 4.90 -0.20 -0.61 -4.36 -1.07 -2.65 121.20 114.38 3dwd s ILE 39 Ca 0.00 -0.68 -0.04 0.00 -0.26 0.00 0.00 60.65 59.68 3dwd s ILE 39 Cb 0.00 -3.41 -0.01 0.00 1.25 0.00 0.00 42.46 40.29 3dwd s ILE 39 CO 0.00 0.07 -0.04 0.26 0.24 0.00 0.00 174.94 175.48 3dwd s TRP 40 N -1.52 2.97 0.28 1.37 0.52 -1.26 -0.71 118.94 120.59 3dwd s TRP 40 Ca 0.32 -0.74 0.05 0.00 0.02 0.00 0.00 56.10 55.75 3dwd s TRP 40 Cb -0.12 -2.07 -0.06 0.00 -1.15 0.00 0.00 33.47 30.07 3dwd s TRP 40 CO 0.25 -0.41 -0.02 0.96 0.02 0.00 0.00 176.95 177.75 3dwd s ILE 41 N 1.21 1.43 0.43 2.03 -4.36 0.15 -1.57 121.20 120.53 3dwd s ILE 41 Ca 0.03 -2.08 0.02 0.00 -0.26 0.00 0.00 60.65 58.36 3dwd s ILE 41 Cb -0.14 -2.49 -0.00 0.00 1.25 0.00 0.00 42.46 41.07 3dwd s ILE 41 CO -0.01 -0.25 0.63 0.00 0.24 0.00 0.00 174.94 175.56 3dwd h LEU 43 N 0.48 -0.66 -0.09 0.00 -0.00 -1.95 0.05 115.31 113.14 3dwd h LEU 43 Ca -0.46 0.25 -0.01 0.00 -0.00 0.00 0.00 57.88 57.66 3dwd h LEU 43 Cb 1.26 0.49 -0.00 0.00 -0.00 0.00 0.00 40.66 42.40 3dwd h LEU 43 CO 0.56 -0.27 0.02 -0.08 -0.00 0.00 0.00 178.44 178.66 3dwd h GLU 44 N 0.02 0.15 0.00 1.13 4.81 -2.01 -3.00 114.58 115.68 3dwd h GLU 44 Ca 0.43 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.55 3dwd h GLU 44 Cb 0.72 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 3dwd h GLU 44 CO -0.84 0.35 -0.36 0.00 -0.73 0.00 0.00 179.01 177.43 3dwd h SER 46 N 0.00 0.52 -0.47 0.00 4.64 -0.98 0.19 113.55 117.46 3dwd h SER 46 Ca -0.00 -0.01 0.09 0.00 -0.47 0.00 0.00 61.79 61.41 3dwd h SER 46 Cb 0.70 -0.12 -0.09 0.00 -0.31 0.00 0.00 62.40 62.58 3dwd h SER 46 CO 0.05 0.37 -0.14 1.23 -0.87 0.00 0.00 176.83 177.47 3dwd h GLY 47 N 0.63 0.28 1.05 -0.77 0.00 -1.21 -0.59 103.07 102.46 3dwd h GLY 47 Ca 0.19 0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.66 3dwd h GLY 47 CO -0.06 -0.19 0.31 3.21 0.00 0.00 0.00 176.54 179.80 3dwd h ARG 48 N -0.04 1.19 0.00 4.80 3.08 -1.05 -2.17 114.38 120.20 3dwd h ARG 48 Ca 0.23 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3dwd h ARG 48 Cb 0.38 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3dwd h ARG 48 CO -0.50 0.97 -0.19 0.45 -1.07 0.00 0.00 179.97 179.62 3dwd h HIS 49 N 1.16 0.00 0.00 3.04 3.86 0.06 -2.65 115.15 120.62 3dwd h HIS 49 Ca 0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 3dwd h HIS 49 Cb 0.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 3dwd h HIS 49 CO 0.02 0.19 0.00 0.00 0.86 0.00 0.00 177.93 179.01 3dwd h ARG 50 N 0.00 0.00 -0.06 2.45 3.08 -0.44 -1.90 114.38 117.51 3dwd h ARG 50 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dwd h ARG 50 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3dwd h ARG 50 CO 0.03 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.34 3dwd n GLY 51 N 0.16 0.35 0.10 0.04 0.00 -1.00 -4.18 105.19 100.65 3dwd n GLY 51 Ca 0.02 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 3dwd n GLY 51 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dwd h LEU 52 N 2.95 0.24 0.00 0.99 3.38 -1.45 -3.51 115.31 117.91 3dwd h LEU 52 Ca 0.00 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3dwd h LEU 52 Cb 0.63 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3dwd h LEU 52 CO 0.00 1.27 0.00 0.61 0.09 0.00 0.00 178.44 180.41 3dwd n GLY 53 N 1.57 2.86 0.31 0.83 0.00 -1.26 -4.74 105.19 104.77 3dwd n GLY 53 Ca -0.12 -1.51 0.16 0.00 0.00 0.00 0.00 46.02 44.54 3dwd n GLY 53 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3dwd h VAL 54 N 0.00 0.52 0.00 1.61 3.04 -1.90 0.14 116.25 119.65 3dwd h VAL 54 Ca 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 3dwd h VAL 54 Cb 0.00 0.92 -0.00 0.00 -2.01 0.00 0.00 31.29 30.20 3dwd h VAL 54 CO 0.00 0.00 -0.06 1.12 -1.01 0.00 0.00 177.57 177.62 3dwd h HIS 55 N 0.00 0.00 0.00 3.17 -0.00 -2.01 -3.23 115.15 113.08 3dwd h HIS 55 Ca 0.04 0.00 -0.22 0.00 -0.00 0.00 0.00 60.37 60.20 3dwd h HIS 55 Cb 0.23 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.60 3dwd h HIS 55 CO 0.00 0.06 -1.81 1.28 -0.00 0.00 0.00 177.93 177.46 3dwd n LEU 56 N -3.32 0.66 -3.66 6.12 4.77 0.24 -5.01 117.00 116.80 3dwd n LEU 56 Ca -0.01 -0.02 -0.07 0.00 -0.03 0.00 0.00 56.01 55.88 3dwd n LEU 56 Cb 0.24 0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 3dwd n LEU 56 CO 0.27 0.39 0.09 -0.55 -1.33 0.00 0.00 177.39 176.26 3dwd s SER 57 N -4.65 -0.51 -0.52 -1.43 0.15 0.15 -4.98 113.70 101.92 3dwd s SER 57 Ca -0.09 1.12 -0.13 0.00 0.70 0.00 0.00 55.95 57.56 3dwd s SER 57 Cb 0.04 1.46 0.13 0.00 -1.71 0.00 0.00 66.02 65.93 3dwd s SER 57 CO 0.45 -0.22 0.44 0.12 1.20 0.00 0.00 173.24 175.22 3dwd s PHE 58 N 2.44 3.34 -0.31 3.44 5.36 -1.26 -3.96 117.98 127.03 3dwd s PHE 58 Ca -0.04 -1.58 -0.13 0.00 -0.96 0.00 0.00 56.93 54.22 3dwd s PHE 58 Cb -0.11 -3.66 -0.03 0.00 -0.34 0.00 0.00 43.02 38.88 3dwd s PHE 58 CO -0.14 -1.01 0.25 0.08 -1.46 0.00 0.00 175.22 172.94 3dwd s VAL 59 N 1.45 5.27 0.39 3.12 1.01 -1.26 -1.14 120.40 129.24 3dwd s VAL 59 Ca 0.05 0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.11 3dwd s VAL 59 Cb -0.28 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.36 3dwd s VAL 59 CO 0.01 0.08 0.01 -0.13 0.00 0.00 0.00 175.10 175.07 3dwd s ARG 60 N 1.81 1.89 -0.11 2.72 1.81 -0.93 -4.99 118.95 121.15 3dwd s ARG 60 Ca 0.08 -2.06 -0.04 0.00 -1.72 0.00 0.00 55.73 51.99 3dwd s ARG 60 Cb -0.17 -1.50 -0.04 0.00 -0.45 0.00 0.00 34.95 32.80 3dwd s ARG 60 CO 0.11 -0.06 0.04 0.45 -0.68 0.00 0.00 175.30 175.15 3dwd s SER 61 N -3.66 5.51 -0.84 0.23 0.15 -1.26 -1.74 113.70 112.09 3dwd s SER 61 Ca 0.35 0.19 -0.23 0.00 0.70 0.00 0.00 55.95 56.96 3dwd s SER 61 Cb 0.09 -1.68 -0.18 0.00 -1.71 0.00 0.00 66.02 62.54 3dwd s SER 61 CO 0.17 0.35 2.30 0.52 1.20 0.00 0.00 173.24 177.78 3dwd n VAL 62 N 2.36 0.00 0.00 4.45 0.31 -1.09 -4.97 118.33 119.39 3dwd n VAL 62 Ca -0.19 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 3dwd n VAL 62 Cb 0.54 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 3dwd n VAL 62 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 3dwd n TRP 67 N 16.88 0.00 -4.19 3.52 7.02 -1.26 -5.06 117.44 134.35 3dwd n TRP 67 Ca 0.47 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.62 3dwd n TRP 67 Cb 0.40 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.21 3dwd n TRP 67 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 3dwd s LYS 68 N 0.00 2.97 0.22 -0.99 1.02 -1.26 -5.03 119.74 116.68 3dwd s LYS 68 Ca 0.00 -0.51 -0.09 0.00 0.02 0.00 0.00 55.97 55.40 3dwd s LYS 68 Cb 0.00 -2.80 0.36 0.00 -0.52 0.00 0.00 37.83 34.87 3dwd s LYS 68 CO 0.00 0.65 1.67 -0.44 -0.92 0.00 0.00 175.35 176.31 3dwd h ASP 69 N 4.34 -0.17 0.35 2.83 5.19 -2.05 0.22 116.42 127.13 3dwd h ASP 69 Ca -0.49 0.15 -0.04 0.00 -0.62 0.00 0.00 57.03 56.03 3dwd h ASP 69 Cb 1.18 0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.93 3dwd h ASP 69 CO 0.59 -0.09 -0.17 -0.29 -3.12 0.00 0.00 179.24 176.16 3dwd h ILE 70 N 0.17 0.79 -0.30 0.35 6.09 -1.97 -0.67 117.51 121.97 3dwd h ILE 70 Ca 0.36 -0.68 -0.16 0.00 -1.37 0.00 0.00 64.86 63.00 3dwd h ILE 70 Cb 0.59 1.41 -0.00 0.00 0.47 0.00 0.00 36.82 39.29 3dwd h ILE 70 CO -0.52 0.17 -0.45 -0.33 -3.07 0.00 0.00 178.15 173.94 3dwd h GLU 71 N 0.00 0.84 -0.58 2.19 5.08 -0.98 -1.43 114.58 119.71 3dwd h GLU 71 Ca -0.00 -0.50 -0.10 0.00 -1.00 0.00 0.00 59.36 57.76 3dwd h GLU 71 Cb 0.39 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3dwd h GLU 71 CO 0.02 1.14 -0.01 -0.07 -1.00 0.00 0.00 179.01 179.09 3dwd h LEU 72 N 0.62 1.01 -1.68 1.33 3.38 -0.92 -2.55 115.31 116.50 3dwd h LEU 72 Ca 0.03 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3dwd h LEU 72 Cb 1.06 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3dwd h LEU 72 CO 0.10 1.06 0.12 -0.33 0.09 0.00 0.00 178.44 179.49 3dwd h GLU 73 N 0.94 0.32 -0.06 1.13 4.39 -1.04 -0.31 114.58 119.95 3dwd h GLU 73 Ca 0.17 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.73 3dwd h GLU 73 Cb 0.56 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 3dwd h GLU 73 CO 0.03 0.25 -0.46 0.87 -1.16 0.00 0.00 179.01 178.54 3dwd h LYS 74 N 0.33 0.14 -0.32 2.33 1.57 -0.91 -1.34 116.57 118.37 3dwd h LYS 74 Ca 0.09 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 3dwd h LYS 74 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3dwd h LYS 74 CO -0.01 0.58 -0.43 0.52 -0.57 0.00 0.00 179.45 179.54 3dwd h MET 75 N 0.12 0.82 -0.27 3.15 2.86 -0.81 -1.15 114.93 119.64 3dwd h MET 75 Ca 0.01 -0.45 -0.13 0.00 -2.06 0.00 0.00 59.70 57.07 3dwd h MET 75 Cb 0.87 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 3dwd h MET 75 CO 0.07 1.08 -0.37 0.87 1.06 0.00 0.00 176.91 179.62 3dwd h LYS 76 N 0.66 0.61 -0.12 1.72 6.56 -0.97 -3.27 116.57 121.76 3dwd h LYS 76 Ca 0.05 -0.29 -0.21 0.00 -1.06 0.00 0.00 60.65 59.14 3dwd h LYS 76 Cb 1.00 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.66 3dwd h LYS 76 CO 0.10 0.88 -0.75 0.00 -2.06 0.00 0.00 179.45 177.61 3dwd h ALA 77 N 1.09 0.44 -3.06 3.86 0.00 -0.98 -3.46 119.26 117.16 3dwd h ALA 77 Ca 0.05 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3dwd h ALA 77 Cb 0.87 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3dwd h ALA 77 CO 0.07 0.72 0.00 0.41 0.00 0.00 0.00 179.25 180.45 3dwd n GLY 78 N 0.63 1.89 0.00 0.00 0.00 -0.46 -4.97 105.19 102.28 3dwd n GLY 78 Ca -0.06 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.92 3dwd n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwd n GLY 79 N 5.00 2.76 0.49 -0.02 0.00 -1.08 -4.85 105.19 107.49 3dwd n GLY 79 Ca 0.00 -0.81 -0.19 0.00 0.00 0.00 0.00 46.02 45.02 3dwd n GLY 79 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dwd h ASN 80 N 0.00 -1.08 -0.41 1.61 2.35 -1.71 0.19 115.58 116.54 3dwd h ASN 80 Ca 0.00 0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.83 3dwd h ASN 80 Cb 0.00 0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 3dwd h ASN 80 CO 0.00 -0.74 0.20 0.00 -1.65 0.00 0.00 177.43 175.25 3dwd h ALA 81 N -1.38 0.51 -0.43 -0.83 0.00 -1.77 -1.59 119.26 113.77 3dwd h ALA 81 Ca -0.12 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3dwd h ALA 81 Cb 0.93 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3dwd h ALA 81 CO 0.18 -0.15 0.23 -0.22 0.00 0.00 0.00 179.25 179.29 3dwd h LYS 82 N 0.41 0.46 -0.10 0.00 3.64 -1.82 0.21 116.57 119.38 3dwd h LYS 82 Ca 0.18 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3dwd h LYS 82 Cb 0.08 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3dwd h LYS 82 CO -0.12 0.30 0.02 0.35 -2.27 0.00 0.00 179.45 177.73 3dwd h PHE 83 N 0.47 0.17 -0.82 1.91 3.57 -0.47 -0.53 116.94 121.23 3dwd h PHE 83 Ca 0.18 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.71 3dwd h PHE 83 Cb 0.05 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.69 3dwd h PHE 83 CO -0.09 0.34 0.51 -0.09 -2.23 0.00 0.00 178.31 176.75 3dwd h ARG 84 N -0.05 0.91 -0.40 1.11 9.65 -1.01 -0.06 114.38 124.52 3dwd h ARG 84 Ca 0.03 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3dwd h ARG 84 Cb 0.26 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 3dwd h ARG 84 CO 0.00 0.60 0.24 0.93 2.80 0.00 0.00 179.97 184.54 3dwd h GLU 85 N 0.94 0.55 0.62 0.20 3.07 -0.48 -1.61 114.58 117.87 3dwd h GLU 85 Ca 0.35 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 59.13 3dwd h GLU 85 Cb 0.14 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 3dwd h GLU 85 CO -0.16 0.41 -0.32 0.35 -1.40 0.00 0.00 179.01 177.89 3dwd h PHE 86 N 0.53 -0.83 -0.83 4.33 3.57 -0.29 -2.83 116.94 120.58 3dwd h PHE 86 Ca 0.14 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.77 3dwd h PHE 86 Cb 0.01 0.28 -0.09 0.00 2.79 0.00 0.00 35.95 38.94 3dwd h PHE 86 CO -0.03 -0.51 0.41 -0.07 -2.23 0.00 0.00 178.31 175.88 3dwd h LEU 87 N -0.87 0.49 -2.65 0.59 3.38 -0.99 -1.93 115.31 113.32 3dwd h LEU 87 Ca -0.08 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3dwd h LEU 87 Cb 0.68 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3dwd h LEU 87 CO 0.13 0.20 0.00 -0.33 0.09 0.00 0.00 178.44 178.53 3dwd h GLU 88 N 0.59 0.00 -0.02 1.13 5.08 -1.04 -2.85 114.58 117.48 3dwd h GLU 88 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 3dwd h GLU 88 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3dwd h GLU 88 CO -0.37 0.00 -0.19 -1.13 -1.00 0.00 0.00 179.01 176.33 3dwd n SER 89 N -3.07 1.79 -4.75 1.42 3.41 -0.73 -4.93 113.62 106.76 3dwd n SER 89 Ca -0.02 -1.42 -0.40 0.00 -0.26 0.00 0.00 58.87 56.76 3dwd n SER 89 Cb 0.12 0.15 -0.05 0.00 -0.26 0.00 0.00 64.21 64.17 3dwd n SER 89 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3dwd s GLN 90 N -2.26 4.56 0.28 4.33 -1.52 -1.08 -4.98 119.66 118.99 3dwd s GLN 90 Ca 0.27 1.17 -0.01 0.00 -1.95 0.00 0.00 55.36 54.85 3dwd s GLN 90 Cb 0.20 -3.34 0.41 0.00 -0.22 0.00 0.00 33.01 30.05 3dwd s GLN 90 CO 0.44 0.33 1.81 1.05 -0.25 0.00 0.00 175.29 178.67 3dwd h GLU 91 N 5.34 0.78 -0.96 2.91 4.11 -1.91 -0.23 114.58 124.62 3dwd h GLU 91 Ca -0.44 -0.17 -0.25 0.00 0.07 0.00 0.00 59.36 58.56 3dwd h GLU 91 Cb 1.21 -0.11 -0.15 0.00 0.50 0.00 0.00 28.75 30.20 3dwd h GLU 91 CO 0.70 0.74 0.32 -0.25 0.07 0.00 0.00 179.01 180.59 3dwd n ASP 92 N -4.26 3.49 -4.73 3.06 10.43 -1.26 -4.92 116.55 118.37 3dwd n ASP 92 Ca 0.03 -2.87 -0.41 0.00 2.57 0.00 0.00 54.79 54.11 3dwd n ASP 92 Cb 0.25 -0.68 -0.03 0.00 1.84 0.00 0.00 41.12 42.49 3dwd n ASP 92 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 3dwd s TYR 93 N -1.93 3.42 -0.17 1.24 6.14 -0.10 -5.03 117.35 120.92 3dwd s TYR 93 Ca 0.33 1.35 -0.01 0.00 0.64 0.00 0.00 57.07 59.39 3dwd s TYR 93 Cb 0.27 -3.44 0.04 0.00 0.42 0.00 0.00 41.96 39.26 3dwd s TYR 93 CO 0.07 -1.30 -0.04 0.34 0.64 0.00 0.00 175.55 175.26 3dwd s ASP 94 N 0.48 2.91 0.00 4.32 -1.08 -1.26 -5.00 116.67 117.04 3dwd s ASP 94 Ca 0.55 -0.71 0.13 0.00 -0.52 0.00 0.00 52.55 52.00 3dwd s ASP 94 Cb -0.32 -0.90 0.60 0.00 -1.46 0.00 0.00 42.92 40.84 3dwd s ASP 94 CO 0.34 -0.20 1.38 -0.81 0.52 0.00 0.00 175.17 176.39 3dwd n PRO 95 N 4.87 0.09 -0.46 4.34 -0.04 -1.26 -2.04 135.00 140.51 3dwd n PRO 95 Ca -0.12 0.22 0.08 0.00 -0.04 0.00 0.00 63.50 63.65 3dwd n PRO 95 Cb 0.47 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.70 3dwd n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dwd n TRP 97 N -0.40 2.42 -1.44 0.00 8.01 -0.86 -5.02 117.44 120.15 3dwd n TRP 97 Ca 0.21 0.46 -0.29 0.00 -1.31 0.00 0.00 57.50 56.57 3dwd n TRP 97 Cb 0.89 -2.41 0.14 0.00 -2.01 0.00 0.00 31.31 27.91 3dwd n TRP 97 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 3dwd s SER 98 N -0.56 3.41 0.14 -0.99 1.04 -1.26 -4.82 113.70 110.66 3dwd s SER 98 Ca 0.63 1.08 -0.19 0.00 0.48 0.00 0.00 55.95 57.94 3dwd s SER 98 Cb -0.46 -1.70 0.00 0.00 0.10 0.00 0.00 66.02 63.96 3dwd s SER 98 CO 0.56 -2.63 1.69 0.25 0.98 0.00 0.00 173.24 174.10 3dwd h LEU 99 N -1.55 -0.27 -0.19 2.42 5.85 -1.99 -1.05 115.31 118.53 3dwd h LEU 99 Ca -0.51 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.34 3dwd h LEU 99 Cb 1.32 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 42.45 3dwd h LEU 99 CO 0.60 -0.10 -0.33 -0.61 -0.34 0.00 0.00 178.44 177.67 3dwd h GLN 100 N -0.02 -0.35 -0.36 1.25 4.15 -1.97 -0.85 115.11 116.95 3dwd h GLN 100 Ca 0.12 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 3dwd h GLN 100 Cb 0.20 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 3dwd h GLN 100 CO -0.26 -0.23 0.18 0.93 -1.93 0.00 0.00 178.83 177.51 3dwd h GLU 101 N -0.37 0.52 -0.15 1.69 5.08 -1.80 -0.36 114.58 119.21 3dwd h GLU 101 Ca 0.11 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 3dwd h GLU 101 Cb 0.55 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 3dwd h GLU 101 CO -0.40 0.46 -0.13 -0.22 -1.00 0.00 0.00 179.01 177.72 3dwd h LYS 102 N 0.45 -0.14 0.00 2.33 3.64 -0.92 -1.08 116.57 120.85 3dwd h LYS 102 Ca 0.13 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3dwd h LYS 102 Cb 0.10 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3dwd h LYS 102 CO -0.02 -0.10 -0.03 1.88 -2.27 0.00 0.00 179.45 178.91 3dwd h TYR 103 N -0.15 0.00 -0.06 1.91 -1.99 -1.01 -2.79 116.97 112.88 3dwd h TYR 103 Ca 0.10 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.83 3dwd h TYR 103 Cb 0.29 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.02 3dwd h TYR 103 CO -0.26 0.00 0.00 0.09 -0.00 0.00 0.00 178.16 177.99 3dwd n ASN 104 N -2.76 1.50 -4.86 3.88 3.02 -0.16 -4.63 115.26 111.25 3dwd n ASN 104 Ca 0.04 -1.55 -0.31 0.00 -0.03 0.00 0.00 54.58 52.73 3dwd n ASN 104 Cb 0.49 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 3dwd n ASN 104 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3dwd s SER 105 N -1.86 6.22 0.25 6.41 1.04 -0.45 -4.94 113.70 120.37 3dwd s SER 105 Ca 0.36 1.48 -0.05 0.00 0.48 0.00 0.00 55.95 58.23 3dwd s SER 105 Cb 0.20 -2.48 0.49 0.00 0.10 0.00 0.00 66.02 64.33 3dwd s SER 105 CO 0.31 -0.87 1.65 0.03 0.98 0.00 0.00 173.24 175.33 3dwd h ARG 106 N -0.09 0.15 -0.08 4.02 3.08 -1.90 -2.55 114.38 117.02 3dwd h ARG 106 Ca -0.45 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 59.63 3dwd h ARG 106 Cb 1.19 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.17 3dwd h ARG 106 CO 0.61 0.10 -0.12 0.00 -1.07 0.00 0.00 179.97 179.49 3dwd h ALA 107 N 1.70 -0.08 -0.20 0.04 0.00 -1.93 -1.50 119.26 117.30 3dwd h ALA 107 Ca 0.44 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.40 3dwd h ALA 107 Cb 0.80 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3dwd h ALA 107 CO -0.64 -0.59 0.09 0.00 0.00 0.00 0.00 179.25 178.11 3dwd h ALA 108 N 0.86 0.23 -0.93 0.00 0.00 -1.71 -2.09 119.26 115.63 3dwd h ALA 108 Ca 0.07 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.12 3dwd h ALA 108 Cb 0.27 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.95 3dwd h ALA 108 CO -0.18 -0.33 0.55 0.00 0.00 0.00 0.00 179.25 179.29 3dwd h ALA 109 N 1.11 1.40 -0.25 0.00 0.00 -1.14 -1.20 119.26 119.18 3dwd h ALA 109 Ca 0.08 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 3dwd h ALA 109 Cb 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3dwd h ALA 109 CO -0.07 0.09 -0.45 -0.07 0.00 0.00 0.00 179.25 178.76 3dwd h LEU 110 N 0.84 0.70 -0.28 0.00 3.38 -0.79 -1.34 115.31 117.81 3dwd h LEU 110 Ca 0.48 -0.33 -0.20 0.00 0.09 0.00 0.00 57.88 57.91 3dwd h LEU 110 Cb 0.54 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3dwd h LEU 110 CO -0.30 1.04 -0.69 0.15 0.09 0.00 0.00 178.44 178.74 3dwd h PHE 111 N 0.52 0.95 -0.02 1.13 3.57 -0.97 -0.71 116.94 121.41 3dwd h PHE 111 Ca 0.03 -0.39 0.03 0.00 3.53 0.00 0.00 57.97 61.18 3dwd h PHE 111 Cb 0.99 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.51 3dwd h PHE 111 CO 0.05 1.20 -0.42 0.00 -2.23 0.00 0.00 178.31 176.91 3dwd h ARG 112 N 0.52 -0.54 -0.53 1.11 3.08 -0.98 0.67 114.38 117.71 3dwd h ARG 112 Ca -0.03 0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.17 3dwd h ARG 112 Cb 1.29 0.12 -0.09 0.00 0.08 0.00 0.00 29.97 31.38 3dwd h ARG 112 CO 0.14 -0.36 0.00 0.22 -1.07 0.00 0.00 179.97 178.90 3dwd h ASP 113 N -0.56 -0.23 -0.56 7.04 1.82 -1.23 -0.10 116.42 122.60 3dwd h ASP 113 Ca 0.05 0.13 0.06 0.00 -0.39 0.00 0.00 57.03 56.88 3dwd h ASP 113 Cb 0.65 0.23 -0.06 0.00 0.68 0.00 0.00 39.33 40.83 3dwd h ASP 113 CO -0.33 -0.08 0.26 0.50 -1.61 0.00 0.00 179.24 177.98 3dwd h LYS 114 N 0.12 0.47 -0.29 0.28 3.64 -0.60 0.80 116.57 120.99 3dwd h LYS 114 Ca 0.27 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.53 3dwd h LYS 114 Cb 0.41 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3dwd h LYS 114 CO -0.44 0.31 -0.18 0.28 -2.27 0.00 0.00 179.45 177.14 3dwd h VAL 115 N 0.48 1.30 0.01 2.00 2.07 0.15 -1.45 116.25 120.82 3dwd h VAL 115 Ca 0.26 -1.31 0.02 0.00 0.82 0.00 0.00 66.70 66.49 3dwd h VAL 115 Cb 0.23 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3dwd h VAL 115 CO -0.21 0.42 -0.14 0.58 0.02 0.00 0.00 177.57 178.23 3dwd h VAL 116 N 0.37 0.66 -0.57 2.57 2.07 -0.93 -1.79 116.25 118.63 3dwd h VAL 116 Ca 0.06 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.62 3dwd h VAL 116 Cb 0.72 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 3dwd h VAL 116 CO 0.05 0.00 0.32 0.00 0.02 0.00 0.00 177.57 177.96 3dwd h ALA 117 N 0.70 0.74 -0.39 1.67 0.00 -0.54 -1.29 119.26 120.16 3dwd h ALA 117 Ca 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3dwd h ALA 117 Cb 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3dwd h ALA 117 CO -0.13 -0.00 0.19 -0.07 0.00 0.00 0.00 179.25 179.24 3dwd h LEU 118 N 0.61 0.50 -0.43 0.00 3.38 -1.23 -3.24 115.31 114.90 3dwd h LEU 118 Ca 0.25 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3dwd h LEU 118 Cb 0.11 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3dwd h LEU 118 CO -0.15 0.48 0.25 0.00 0.09 0.00 0.00 178.44 179.11 3dwd h ALA 119 N 1.04 0.55 0.00 1.53 0.00 -0.64 -3.50 119.26 118.24 3dwd h ALA 119 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3dwd h ALA 119 Cb 0.11 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3dwd h ALA 119 CO -0.02 0.05 0.00 0.39 0.00 0.00 0.00 179.25 179.67