#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsf h VAL 2 N 0.00 0.84 -3.36 2.41 2.07 -2.09 -3.44 116.25 112.68 1xsf h VAL 2 Ca 0.00 -1.69 -0.67 0.00 0.82 0.00 0.00 66.70 65.16 1xsf h VAL 2 Cb 0.00 1.64 -0.17 0.00 -1.52 0.00 0.00 31.29 31.25 1xsf h VAL 2 CO 0.00 0.28 0.11 -0.69 0.02 0.00 0.00 177.57 177.29 1xsf s VAL 3 N -2.00 4.82 0.31 2.57 1.01 -1.26 -4.96 120.40 120.90 1xsf s VAL 3 Ca -0.13 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1xsf s VAL 3 Cb -0.00 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1xsf s VAL 3 CO 0.37 -0.76 0.00 0.55 0.00 0.00 0.00 175.10 175.27 1xsf n VAL 4 N 5.73 -0.22 -3.96 2.92 3.14 -1.26 -4.87 118.33 119.80 1xsf n VAL 4 Ca -0.04 0.38 -0.35 0.00 -2.96 0.00 0.00 64.34 61.37 1xsf n VAL 4 Cb 0.46 -0.66 -0.11 0.00 -1.06 0.00 0.00 33.84 32.48 1xsf n VAL 4 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1xsf s THR 5 N -3.77 4.60 1.14 1.55 -4.23 -1.26 -4.88 115.64 108.79 1xsf s THR 5 Ca 0.00 -0.09 -0.16 0.00 -1.18 0.00 0.00 61.69 60.25 1xsf s THR 5 Cb 0.00 -3.09 0.26 0.00 1.34 0.00 0.00 72.50 71.00 1xsf s THR 5 CO 0.00 0.42 1.08 -2.84 -0.54 0.00 0.00 174.62 172.74 1xsf s PRO 6 N 0.78 -0.75 -0.49 3.99 0.02 -1.26 -4.62 135.00 132.67 1xsf s PRO 6 Ca 0.03 0.26 -0.10 0.00 0.02 0.00 0.00 61.00 61.21 1xsf s PRO 6 Cb -0.14 -1.62 0.01 0.00 0.02 0.00 0.00 34.50 32.77 1xsf s PRO 6 CO 0.02 -3.46 0.59 0.00 -0.33 0.00 0.00 177.00 173.82 1xsf n ALA 7 N -4.64 -2.83 -0.08 -1.55 0.00 -1.26 -4.94 120.51 105.20 1xsf n ALA 7 Ca 0.09 0.76 0.08 0.00 0.00 0.00 0.00 53.44 54.37 1xsf n ALA 7 Cb 0.58 -2.89 0.20 0.00 0.00 0.00 0.00 19.45 17.35 1xsf n ALA 7 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1xsf n HIS 8 N -0.76 0.57 -1.47 0.00 -0.00 -1.26 -5.03 115.22 107.27 1xsf n HIS 8 Ca 0.08 -0.40 -0.40 0.00 0.46 0.00 0.00 57.72 57.45 1xsf n HIS 8 Cb 0.45 -0.01 0.02 0.00 -0.12 0.00 0.00 29.99 30.33 1xsf n HIS 8 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1xsf n GLU 9 N 1.03 0.61 -3.11 1.57 0.28 -1.26 -4.91 120.64 114.85 1xsf n GLU 9 Ca 0.16 0.23 -0.36 0.00 -0.16 0.00 0.00 57.16 57.03 1xsf n GLU 9 Cb 0.50 -1.62 -0.03 0.00 1.43 0.00 0.00 31.44 31.72 1xsf n GLU 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xsf n ALA 10 N -1.17 4.85 0.24 -1.84 0.00 -1.26 -4.73 120.51 116.59 1xsf n ALA 10 Ca 0.11 -4.77 0.09 0.00 0.00 0.00 0.00 53.44 48.87 1xsf n ALA 10 Cb 0.43 -1.66 0.59 0.00 0.00 0.00 0.00 19.45 18.81 1xsf n ALA 10 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1xsf h VAL 11 N 3.15 0.84 -5.02 0.00 3.04 -2.02 -3.48 116.25 112.78 1xsf h VAL 11 Ca 0.23 -0.70 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 1xsf h VAL 11 Cb 0.59 1.41 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 1xsf h VAL 11 CO 1.09 0.18 -0.63 0.55 -1.01 0.00 0.00 177.57 177.75 1xsf n VAL 12 N -3.90 -1.39 -2.21 1.51 3.14 -1.26 -4.84 118.33 109.38 1xsf n VAL 12 Ca -0.02 0.32 -0.43 0.00 -2.96 0.00 0.00 64.34 61.25 1xsf n VAL 12 Cb 0.27 -2.22 -0.02 0.00 -1.06 0.00 0.00 33.84 30.81 1xsf n VAL 12 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1xsf s ARG 13 N -0.63 3.70 -0.45 1.45 0.52 -1.26 -4.85 118.95 117.44 1xsf s ARG 13 Ca 0.00 1.40 -0.42 0.00 -0.52 0.00 0.00 55.73 56.19 1xsf s ARG 13 Cb 0.00 -4.03 -0.18 0.00 0.52 0.00 0.00 34.95 31.27 1xsf s ARG 13 CO 0.00 -1.40 1.47 1.55 0.02 0.00 0.00 175.30 176.94 1xsf n VAL 14 N 6.66 0.00 -3.06 3.52 3.14 -1.26 -4.89 118.33 122.44 1xsf n VAL 14 Ca 0.18 0.00 -0.16 0.00 -2.96 0.00 0.00 64.34 61.41 1xsf n VAL 14 Cb 0.46 -0.45 0.00 0.00 -1.06 0.00 0.00 33.84 32.80 1xsf n VAL 14 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1xsf n GLY 15 N 3.87 2.73 0.04 7.55 0.00 -1.26 -4.90 105.19 113.22 1xsf n GLY 15 Ca 0.30 -1.20 0.07 0.00 0.00 0.00 0.00 46.02 45.18 1xsf n GLY 15 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xsf n THR 16 N 0.34 0.38 -2.99 2.61 -1.04 -1.26 -4.94 114.28 107.38 1xsf n THR 16 Ca 0.20 -0.58 -0.06 0.00 -2.04 0.00 0.00 64.05 61.57 1xsf n THR 16 Cb 0.67 -0.16 0.01 0.00 -1.82 0.00 0.00 70.33 69.03 1xsf n THR 16 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1xsf n LYS 17 N -2.42 -2.07 -1.36 -2.82 4.01 -1.26 -4.73 118.16 107.51 1xsf n LYS 17 Ca -0.09 1.86 -0.59 0.00 -0.51 0.00 0.00 58.31 58.97 1xsf n LYS 17 Cb 0.69 -3.53 -0.11 0.00 -0.51 0.00 0.00 35.03 31.57 1xsf n LYS 17 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 1xsf n PRO 18 N 0.67 0.26 0.00 1.97 -0.02 -1.26 -4.47 135.00 132.14 1xsf n PRO 18 Ca 0.01 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1xsf n PRO 18 Cb 0.31 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1xsf n PRO 18 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xsf n GLY 19 N 6.83 -0.79 0.36 -1.23 0.00 -1.26 -5.06 105.19 104.04 1xsf n GLY 19 Ca 0.49 0.21 0.02 0.00 0.00 0.00 0.00 46.02 46.74 1xsf n GLY 19 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xsf h THR 20 N 0.00 1.08 -3.21 2.61 2.02 -1.92 -3.23 112.91 110.26 1xsf h THR 20 Ca 0.00 -0.39 -0.65 0.00 0.77 0.00 0.00 66.41 66.14 1xsf h THR 20 Cb 0.00 -0.17 -0.40 0.00 -1.74 0.00 0.00 68.15 65.85 1xsf h THR 20 CO 0.00 0.21 -0.46 -1.61 0.37 0.00 0.00 175.52 174.03 1xsf s GLU 21 N -6.04 2.59 -0.09 6.66 2.02 -1.26 -5.06 118.70 117.53 1xsf s GLU 21 Ca -0.12 -3.18 -0.30 0.00 0.02 0.00 0.00 54.97 51.39 1xsf s GLU 21 Cb 0.20 -3.56 -0.03 0.00 0.10 0.00 0.00 34.13 30.85 1xsf s GLU 21 CO 0.81 -1.25 1.20 0.54 0.02 0.00 0.00 175.26 176.59 1xsf s VAL 22 N -1.19 4.29 0.08 2.63 0.11 -1.22 -4.97 120.40 120.13 1xsf s VAL 22 Ca 0.24 1.60 -0.34 0.00 -2.93 0.00 0.00 61.98 60.55 1xsf s VAL 22 Cb -0.09 -4.03 -0.13 0.00 -1.53 0.00 0.00 36.38 30.60 1xsf s VAL 22 CO -0.12 -0.04 1.67 -2.65 -3.33 0.00 0.00 175.10 170.63 1xsf n PRO 23 N 5.53 2.15 -1.72 1.54 -0.02 -1.26 -4.92 135.00 136.30 1xsf n PRO 23 Ca 0.12 0.78 -0.41 0.00 -2.02 0.00 0.00 63.50 61.96 1xsf n PRO 23 Cb 0.46 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1xsf n PRO 23 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1xsf n PRO 24 N 4.44 2.16 -3.98 0.52 -0.02 -1.26 -4.80 135.00 132.08 1xsf n PRO 24 Ca 0.19 0.76 -0.23 0.00 -2.02 0.00 0.00 63.50 62.20 1xsf n PRO 24 Cb 0.29 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.30 1xsf n PRO 24 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xsf s VAL 25 N -1.15 5.18 0.30 -1.45 1.01 -1.26 -4.97 120.40 118.06 1xsf s VAL 25 Ca 0.58 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1xsf s VAL 25 Cb -0.52 -3.75 0.29 0.00 0.00 0.00 0.00 36.38 32.41 1xsf s VAL 25 CO 0.60 -0.22 1.86 0.40 0.00 0.00 0.00 175.10 177.75 1xsf h ILE 26 N 1.44 0.95 -0.30 2.22 1.08 -2.04 0.71 117.51 121.57 1xsf h ILE 26 Ca -0.50 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 63.64 1xsf h ILE 26 Cb 1.21 -0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.86 1xsf h ILE 26 CO 0.64 0.18 0.00 0.47 -0.69 0.00 0.00 178.15 178.75 1xsf n ASP 27 N -4.57 2.78 0.00 1.72 9.92 -1.26 -4.38 116.55 120.76 1xsf n ASP 27 Ca 0.17 -1.95 0.07 0.00 -0.53 0.00 0.00 54.79 52.56 1xsf n ASP 27 Cb 0.33 -0.20 0.38 0.00 -0.64 0.00 0.00 41.12 40.99 1xsf n ASP 27 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xsf n GLY 28 N 0.47 -0.76 0.15 0.44 0.00 0.24 -1.28 105.19 104.45 1xsf n GLY 28 Ca 0.10 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 1xsf n GLY 28 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1xsf h SER 29 N 0.00 0.64 -0.48 1.61 0.02 -1.76 -0.59 113.55 112.99 1xsf h SER 29 Ca 0.00 -0.80 -0.10 0.00 -0.84 0.00 0.00 61.79 60.05 1xsf h SER 29 Cb 0.13 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1xsf h SER 29 CO 0.00 1.36 -0.08 0.40 -1.14 0.00 0.00 176.83 177.38 1xsf h ILE 30 N -0.01 1.26 -0.19 3.27 1.08 -1.38 0.67 117.51 122.22 1xsf h ILE 30 Ca -0.11 -1.19 -0.14 0.00 -0.39 0.00 0.00 64.86 63.03 1xsf h ILE 30 Cb 1.53 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 36.21 1xsf h ILE 30 CO 0.16 0.42 -0.46 -0.50 -0.69 0.00 0.00 178.15 177.08 1xsf h TRP 31 N 0.85 0.57 0.01 1.37 -0.00 -1.41 0.14 115.95 117.47 1xsf h TRP 31 Ca 0.14 -0.18 -0.25 0.00 -0.00 0.00 0.00 58.89 58.61 1xsf h TRP 31 Cb 0.61 -0.12 0.01 0.00 -0.00 0.00 0.00 29.16 29.66 1xsf h TRP 31 CO 0.04 0.84 -1.01 0.22 -0.00 0.00 0.00 178.44 178.53 1xsf h ASP 32 N 0.38 0.70 0.18 -3.49 3.58 -0.73 0.08 116.42 117.11 1xsf h ASP 32 Ca 0.02 -0.57 -0.14 0.00 0.42 0.00 0.00 57.03 56.77 1xsf h ASP 32 Cb 0.95 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 1xsf h ASP 32 CO 0.08 1.37 -0.51 0.00 -2.88 0.00 0.00 179.24 177.31 1xsf h ALA 33 N 0.58 0.88 -0.32 -0.78 0.00 -0.75 0.34 119.26 119.21 1xsf h ALA 33 Ca -0.11 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.28 1xsf h ALA 33 Cb 1.66 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1xsf h ALA 33 CO 0.19 0.67 0.03 0.82 0.00 0.00 0.00 179.25 180.96 1xsf h ILE 34 N 0.29 1.24 -0.86 0.00 2.04 -0.92 -1.24 117.51 118.07 1xsf h ILE 34 Ca 0.01 -0.87 0.04 0.00 1.00 0.00 0.00 64.86 65.05 1xsf h ILE 34 Cb 0.99 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 38.21 1xsf h ILE 34 CO 0.09 0.28 0.57 0.00 0.00 0.00 0.00 178.15 179.09 1xsf h ALA 35 N 0.87 1.48 0.00 1.87 0.00 -0.71 0.76 119.26 123.54 1xsf h ALA 35 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xsf h ALA 35 Cb 0.38 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1xsf h ALA 35 CO 0.01 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.09 1xsf n GLY 36 N -1.40 -1.24 0.05 0.00 0.00 0.12 -0.29 105.19 102.42 1xsf n GLY 36 Ca 0.12 -0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 1xsf n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsf h GLU 38 N -0.72 0.09 -0.00 0.00 5.08 -1.44 -3.36 114.58 114.23 1xsf h GLU 38 Ca 0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1xsf h GLU 38 Cb 0.32 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1xsf h GLU 38 CO 0.00 0.74 -0.59 0.00 -1.00 0.00 0.00 179.01 178.16 1xsf n ALA 39 N -2.70 3.80 -1.00 3.43 0.00 -0.36 -4.91 120.51 118.78 1xsf n ALA 39 Ca -0.22 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1xsf n ALA 39 Cb 1.05 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1xsf n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xsf n GLY 40 N 1.46 0.63 0.95 0.00 0.00 -0.70 -3.50 105.19 104.04 1xsf n GLY 40 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1xsf n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsf n GLY 41 N -2.68 0.48 2.94 -0.02 0.00 0.60 -4.80 105.19 101.72 1xsf n GLY 41 Ca 0.00 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 1xsf n GLY 41 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xsf s ASN 42 N -2.83 -0.03 0.00 1.61 3.84 -1.23 -4.90 114.94 111.40 1xsf s ASN 42 Ca 0.00 0.36 0.20 0.00 0.21 0.00 0.00 52.86 53.63 1xsf s ASN 42 Cb 0.00 0.26 0.17 0.00 -0.55 0.00 0.00 41.25 41.13 1xsf s ASN 42 CO 0.00 -0.17 1.14 0.79 -2.79 0.00 0.00 177.10 176.08 1xsf n TRP 43 N 4.38 0.03 0.37 0.43 7.02 -1.26 0.49 117.44 128.90 1xsf n TRP 43 Ca -0.23 -0.02 0.04 0.00 -1.02 0.00 0.00 57.50 56.27 1xsf n TRP 43 Cb 0.52 -0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.42 1xsf n TRP 43 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1xsf n ALA 44 N 1.13 2.62 -1.77 6.99 0.00 -1.26 -3.95 120.51 124.28 1xsf n ALA 44 Ca 0.12 -0.48 -0.39 0.00 0.00 0.00 0.00 53.44 52.69 1xsf n ALA 44 Cb 0.50 -0.30 -0.00 0.00 0.00 0.00 0.00 19.45 19.65 1xsf n ALA 44 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1xsf s ILE 45 N -0.99 2.72 -0.35 0.00 2.07 -1.26 -4.84 121.20 118.55 1xsf s ILE 45 Ca 0.09 0.62 0.01 0.00 -1.41 0.00 0.00 60.65 59.96 1xsf s ILE 45 Cb 0.07 -3.36 0.14 0.00 0.13 0.00 0.00 42.46 39.45 1xsf s ILE 45 CO 0.16 0.07 0.27 0.21 -1.91 0.00 0.00 174.94 173.75 1xsf s ASN 46 N -0.87 2.23 0.47 4.50 3.84 -1.26 0.09 114.94 123.94 1xsf s ASN 46 Ca 0.58 -1.78 0.29 0.00 0.21 0.00 0.00 52.86 52.17 1xsf s ASN 46 Cb -0.36 0.04 0.99 0.00 -0.55 0.00 0.00 41.25 41.37 1xsf s ASN 46 CO 0.46 -0.31 1.83 0.71 -2.79 0.00 0.00 177.10 177.01 1xsf h THR 47 N 5.24 0.00 0.00 -5.21 1.35 -1.95 -3.47 112.91 108.87 1xsf h THR 47 Ca 0.02 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1xsf h THR 47 Cb 1.01 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1xsf h THR 47 CO 0.26 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.14 1xsf n GLY 48 N 0.42 0.51 1.21 5.82 0.00 -1.26 -4.93 105.19 106.96 1xsf n GLY 48 Ca 0.02 -0.89 0.06 0.00 0.00 0.00 0.00 46.02 45.22 1xsf n GLY 48 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xsf n ASN 49 N 1.71 3.52 0.00 1.61 6.94 -1.26 -4.83 115.26 122.96 1xsf n ASN 49 Ca 0.00 -2.34 0.00 0.00 -0.02 0.00 0.00 54.58 52.22 1xsf n ASN 49 Cb 0.13 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.06 1xsf n ASN 49 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xsf n GLY 50 N 0.83 1.67 3.46 4.83 0.00 -1.26 -5.00 105.19 109.72 1xsf n GLY 50 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1xsf n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xsf s TYR 51 N -2.34 2.20 0.31 1.61 2.02 -1.26 -1.56 117.35 118.32 1xsf s TYR 51 Ca 0.00 -0.44 0.05 0.00 -0.37 0.00 0.00 57.07 56.31 1xsf s TYR 51 Cb 0.00 -1.06 -0.06 0.00 -0.40 0.00 0.00 41.96 40.44 1xsf s TYR 51 CO 0.00 0.59 0.01 0.71 -1.57 0.00 0.00 175.55 175.29 1xsf s TYR 52 N -2.65 1.97 1.03 2.71 2.02 -1.22 -4.37 117.35 116.84 1xsf s TYR 52 Ca 0.29 -0.85 -0.14 0.00 -0.37 0.00 0.00 57.07 56.01 1xsf s TYR 52 Cb -0.02 -1.23 0.13 0.00 -0.40 0.00 0.00 41.96 40.44 1xsf s TYR 52 CO 0.14 0.13 0.57 0.41 -1.57 0.00 0.00 175.55 175.23 1xsf n GLY 53 N -0.65 -1.80 1.02 0.71 0.00 0.11 -2.42 105.19 102.16 1xsf n GLY 53 Ca -0.04 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1xsf n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsf n GLY 54 N 1.29 1.05 0.15 -0.02 0.00 0.18 -3.97 105.19 103.87 1xsf n GLY 54 Ca 0.06 -0.91 0.14 0.00 0.00 0.00 0.00 46.02 45.31 1xsf n GLY 54 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xsf n VAL 55 N 0.00 0.00 -3.85 1.61 0.31 -1.26 -4.05 118.33 111.09 1xsf n VAL 55 Ca 0.00 -0.08 -0.24 0.00 -0.01 0.00 0.00 64.34 64.01 1xsf n VAL 55 Cb 0.00 -0.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 1xsf n VAL 55 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1xsf n GLN 56 N -0.81 -3.74 -4.30 5.55 7.27 -1.01 -4.85 117.38 115.49 1xsf n GLN 56 Ca 0.16 0.48 -0.23 0.00 0.07 0.00 0.00 57.00 57.48 1xsf n GLN 56 Cb 0.27 -4.73 -0.08 0.00 2.41 0.00 0.00 30.24 28.11 1xsf n GLN 56 CO 0.00 0.00 0.00 -0.59 0.07 0.00 0.00 177.06 176.54 1xsf s PHE 57 N -3.83 2.67 0.70 3.69 -0.71 -1.26 -4.70 117.98 114.55 1xsf s PHE 57 Ca 0.03 -0.22 -0.13 0.00 -1.04 0.00 0.00 56.93 55.57 1xsf s PHE 57 Cb -0.01 -1.20 0.02 0.00 -1.21 0.00 0.00 43.02 40.62 1xsf s PHE 57 CO 0.86 0.61 1.09 0.16 -1.34 0.00 0.00 175.22 176.60 1xsf s ASP 58 N -3.57 5.01 0.38 1.98 -4.77 -1.26 -3.39 116.67 111.05 1xsf s ASP 58 Ca 0.31 1.84 0.10 0.00 -3.30 0.00 0.00 52.55 51.49 1xsf s ASP 58 Cb -0.07 -2.53 0.86 0.00 -1.09 0.00 0.00 42.92 40.10 1xsf s ASP 58 CO 0.19 -1.69 1.93 -0.61 0.70 0.00 0.00 175.17 175.69 1xsf h GLN 59 N -0.49 0.60 -0.01 2.11 5.75 -1.66 0.28 115.11 121.69 1xsf h GLN 59 Ca -0.45 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.01 1xsf h GLN 59 Cb 1.23 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 29.64 1xsf h GLN 59 CO 0.54 0.40 -0.01 0.78 -2.65 0.00 0.00 178.83 177.89 1xsf h GLY 60 N 0.62 0.03 1.03 2.39 0.00 -1.91 0.37 103.07 105.60 1xsf h GLY 60 Ca 0.36 -0.02 -0.07 0.00 0.00 0.00 0.00 47.33 47.59 1xsf h GLY 60 CO -0.13 0.02 0.10 -0.84 0.00 0.00 0.00 176.54 175.69 1xsf h THR 61 N -0.37 1.26 -0.27 4.70 2.02 -1.88 0.31 112.91 118.68 1xsf h THR 61 Ca 0.00 -0.99 0.04 0.00 0.77 0.00 0.00 66.41 66.23 1xsf h THR 61 Cb 0.42 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 1xsf h THR 61 CO 0.00 0.37 0.03 -0.25 0.37 0.00 0.00 175.52 176.04 1xsf h TRP 62 N 0.89 0.05 -0.12 3.16 2.91 -0.84 -0.98 115.95 121.02 1xsf h TRP 62 Ca 0.18 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 60.12 1xsf h TRP 62 Cb 0.42 0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 29.08 1xsf h TRP 62 CO 0.03 -0.00 -0.36 1.49 -1.03 0.00 0.00 178.44 178.56 1xsf h GLU 63 N 0.13 0.25 -0.58 2.65 4.81 0.03 0.45 114.58 122.32 1xsf h GLU 63 Ca 0.13 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 1xsf h GLU 63 Cb 0.14 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1xsf h GLU 63 CO -0.18 0.59 0.06 0.00 -0.73 0.00 0.00 179.01 178.75 1xsf h ALA 64 N 1.41 0.77 -0.00 2.92 0.00 0.42 -0.45 119.26 124.33 1xsf h ALA 64 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1xsf h ALA 64 Cb 0.75 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xsf h ALA 64 CO 0.06 0.55 -0.05 0.09 0.00 0.00 0.00 179.25 179.90 1xsf n ASN 65 N -4.29 0.08 -0.98 0.00 5.03 -0.45 -4.94 115.26 109.72 1xsf n ASN 65 Ca 0.03 0.13 0.00 0.00 0.87 0.00 0.00 54.58 55.61 1xsf n ASN 65 Cb 0.29 -0.33 0.00 0.00 -1.02 0.00 0.00 39.78 38.72 1xsf n ASN 65 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xsf n GLY 66 N 1.41 0.45 0.20 7.41 0.00 -0.18 -4.96 105.19 109.52 1xsf n GLY 66 Ca 0.10 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 45.79 1xsf n GLY 66 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xsf h GLY 67 N 0.00 0.00 2.00 -0.02 0.00 -0.36 -3.24 103.07 101.45 1xsf h GLY 67 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xsf h GLY 67 CO 0.00 0.00 -0.00 1.41 0.00 0.00 0.00 176.54 177.95 1xsf h LEU 68 N 0.00 0.00 -0.83 3.11 4.07 -1.77 0.34 115.31 120.23 1xsf h LEU 68 Ca 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.84 1xsf h LEU 68 Cb 0.86 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.59 1xsf h LEU 68 CO 0.00 0.00 -0.52 0.08 -1.08 0.00 0.00 178.44 176.92 1xsf h ARG 69 N 0.00 0.17 0.08 1.13 0.11 -1.96 -2.82 114.38 111.08 1xsf h ARG 69 Ca -0.00 -0.10 -0.29 0.00 0.10 0.00 0.00 59.98 59.69 1xsf h ARG 69 Cb 0.02 0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.09 1xsf h ARG 69 CO 0.00 0.65 -1.52 1.88 0.10 0.00 0.00 179.97 181.08 1xsf h TYR 70 N 0.14 0.29 0.00 4.08 0.05 -0.71 -3.47 116.97 117.35 1xsf h TYR 70 Ca 0.00 -0.21 0.00 0.00 0.05 0.00 0.00 58.73 58.57 1xsf h TYR 70 Cb 0.96 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.69 1xsf h TYR 70 CO 0.01 1.27 0.00 0.00 -1.05 0.00 0.00 178.16 178.40 1xsf n ALA 71 N -2.62 0.00 0.00 3.88 0.00 0.46 -4.77 120.51 117.46 1xsf n ALA 71 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1xsf n ALA 71 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.48 1xsf n ALA 71 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1xsf n PRO 72 N 0.00 0.00 -3.81 0.00 -0.02 -1.13 -3.36 135.00 126.68 1xsf n PRO 72 Ca 0.00 0.30 -0.13 0.00 -2.02 0.00 0.00 63.50 61.66 1xsf n PRO 72 Cb 0.00 -1.59 -0.13 0.00 -0.02 0.00 0.00 33.50 31.75 1xsf n PRO 72 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1xsf s ARG 73 N -2.56 0.11 0.54 -0.52 1.70 -1.26 -4.76 118.95 112.20 1xsf s ARG 73 Ca 0.00 0.21 0.21 0.00 -0.47 0.00 0.00 55.73 55.68 1xsf s ARG 73 Cb 0.00 -0.02 1.48 0.00 -0.57 0.00 0.00 34.95 35.84 1xsf s ARG 73 CO 0.00 -0.06 2.18 0.00 -1.08 0.00 0.00 175.30 176.34 1xsf h ALA 74 N 6.38 1.80 -0.00 7.88 0.00 -1.87 -1.05 119.26 132.40 1xsf h ALA 74 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1xsf h ALA 74 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1xsf h ALA 74 CO 0.44 0.01 -0.22 -0.40 0.00 0.00 0.00 179.25 179.08 1xsf n ASP 75 N -4.25 0.29 0.03 0.00 5.75 -1.25 -2.21 116.55 114.91 1xsf n ASP 75 Ca -0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.64 1xsf n ASP 75 Cb 0.09 -0.13 -0.13 0.00 -1.03 0.00 0.00 41.12 39.92 1xsf n ASP 75 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1xsf h LEU 76 N 0.11 0.15-10.19 -2.12 5.85 -1.42 -3.38 115.31 104.32 1xsf h LEU 76 Ca 0.00 -0.22 -0.48 0.00 0.84 0.00 0.00 57.88 58.02 1xsf h LEU 76 Cb 0.47 -0.05 0.03 0.00 0.37 0.00 0.00 40.66 41.48 1xsf h LEU 76 CO 0.00 1.19 0.38 0.00 -0.34 0.00 0.00 178.44 179.66 1xsf s ALA 77 N -2.64 2.95 0.00 1.25 0.00 -0.94 -4.91 121.76 117.48 1xsf s ALA 77 Ca -0.05 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1xsf s ALA 77 Cb 0.08 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1xsf s ALA 77 CO 0.83 -0.41 0.00 0.25 0.00 0.00 0.00 175.76 176.43 1xsf n THR 78 N -1.68 0.00 -0.14 0.00 -2.24 -1.26 -4.77 114.28 104.20 1xsf n THR 78 Ca 0.07 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.81 1xsf n THR 78 Cb 0.54 -1.00 0.02 0.00 -2.10 0.00 0.00 70.33 67.78 1xsf n THR 78 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1xsf h ARG 79 N 0.00 -0.09 -0.23 -0.78 3.08 -1.94 -1.84 114.38 112.57 1xsf h ARG 79 Ca 0.00 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xsf h ARG 79 Cb 0.00 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1xsf h ARG 79 CO 0.00 -0.06 0.14 1.05 -1.07 0.00 0.00 179.97 180.03 1xsf h GLU 80 N -0.09 0.32 0.06 0.04 4.11 -1.93 0.27 114.58 117.35 1xsf h GLU 80 Ca 0.22 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.61 1xsf h GLU 80 Cb 0.43 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1xsf h GLU 80 CO -0.51 0.25 -0.03 0.93 0.07 0.00 0.00 179.01 179.72 1xsf h GLU 81 N 0.29 -0.08 -0.55 1.06 3.07 -1.87 -1.21 114.58 115.29 1xsf h GLU 81 Ca 0.08 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.90 1xsf h GLU 81 Cb 0.02 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 1xsf h GLU 81 CO -0.02 -0.01 0.14 1.96 -1.40 0.00 0.00 179.01 179.69 1xsf h GLN 82 N -0.13 0.84 -0.55 2.33 4.20 -1.09 -0.95 115.11 119.75 1xsf h GLN 82 Ca -0.01 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.54 1xsf h GLN 82 Cb 0.11 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 1xsf h GLN 82 CO 0.01 0.75 0.36 0.82 -0.67 0.00 0.00 178.83 180.10 1xsf h ILE 83 N 0.81 1.15 -0.54 2.54 2.04 -0.33 -0.09 117.51 123.08 1xsf h ILE 83 Ca 0.18 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1xsf h ILE 83 Cb 0.28 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1xsf h ILE 83 CO -0.00 0.14 0.24 0.00 0.00 0.00 0.00 178.15 178.53 1xsf h ALA 84 N 1.20 0.69 -0.11 1.87 0.00 0.04 0.67 119.26 123.62 1xsf h ALA 84 Ca 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1xsf h ALA 84 Cb -0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1xsf h ALA 84 CO -0.04 0.27 -0.03 0.28 0.00 0.00 0.00 179.25 179.73 1xsf h VAL 85 N 0.72 1.29 -0.09 0.00 2.07 -1.14 -2.44 116.25 116.67 1xsf h VAL 85 Ca 0.18 -0.97 0.03 0.00 0.82 0.00 0.00 66.70 66.76 1xsf h VAL 85 Cb 0.15 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1xsf h VAL 85 CO -0.02 0.28 0.07 0.00 0.02 0.00 0.00 177.57 177.91 1xsf h ALA 86 N 0.69 2.06 -0.67 1.67 0.00 -0.77 -1.68 119.26 120.55 1xsf h ALA 86 Ca 0.03 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1xsf h ALA 86 Cb 0.45 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1xsf h ALA 86 CO 0.01 -0.11 0.44 0.93 0.00 0.00 0.00 179.25 180.52 1xsf h GLU 87 N 0.00 0.85 -0.13 0.00 4.39 0.84 0.44 114.58 120.98 1xsf h GLU 87 Ca 0.04 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1xsf h GLU 87 Cb 0.18 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1xsf h GLU 87 CO -0.00 0.56 0.06 0.28 -1.16 0.00 0.00 179.01 178.75 1xsf h VAL 88 N 0.88 1.13 -0.17 3.13 2.07 -1.06 -2.63 116.25 119.59 1xsf h VAL 88 Ca 0.26 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1xsf h VAL 88 Cb -0.06 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1xsf h VAL 88 CO -0.07 0.12 0.04 0.74 0.02 0.00 0.00 177.57 178.42 1xsf h THR 89 N 0.07 1.20 -0.26 2.57 2.02 -1.11 -2.92 112.91 114.48 1xsf h THR 89 Ca 0.04 -0.64 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 1xsf h THR 89 Cb 0.13 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1xsf h THR 89 CO -0.00 0.20 0.03 0.08 0.37 0.00 0.00 175.52 176.20 1xsf h ARG 90 N 0.09 0.38 0.00 6.66 0.11 -0.16 -2.47 114.38 118.99 1xsf h ARG 90 Ca 0.05 -0.06 -0.05 0.00 0.10 0.00 0.00 59.98 60.03 1xsf h ARG 90 Cb 0.26 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.27 1xsf h ARG 90 CO 0.00 0.38 -0.23 1.37 0.10 0.00 0.00 179.97 181.59 1xsf h LEU 91 N 0.37 0.00 0.09 0.08 8.10 -1.27 0.47 115.31 123.15 1xsf h LEU 91 Ca 0.09 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 57.88 1xsf h LEU 91 Cb 0.20 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.41 1xsf h LEU 91 CO 0.00 0.23 -1.02 0.03 -4.11 0.00 0.00 178.44 173.58 1xsf h ARG 92 N 0.00 0.18 0.00 0.17 3.08 -1.40 -3.41 114.38 113.00 1xsf h ARG 92 Ca -0.00 -0.31 -0.25 0.00 0.07 0.00 0.00 59.98 59.49 1xsf h ARG 92 Cb 0.86 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.98 1xsf h ARG 92 CO 0.03 1.15 -2.12 0.00 -1.07 0.00 0.00 179.97 177.96 1xsf n GLN 93 N -4.16 1.05 -1.59 0.04 10.64 -1.04 -5.03 117.38 117.28 1xsf n GLN 93 Ca -0.21 -0.04 0.00 0.00 -1.83 0.00 0.00 57.00 54.92 1xsf n GLN 93 Cb 0.78 -1.44 0.00 0.00 -0.86 0.00 0.00 30.24 28.72 1xsf n GLN 93 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1xsf n GLY 94 N 1.83 0.50 2.54 2.61 0.00 0.16 -3.90 105.19 108.93 1xsf n GLY 94 Ca -0.23 -0.39 -0.21 0.00 0.00 0.00 0.00 46.02 45.19 1xsf n GLY 94 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xsf n TRP 95 N -0.85 -0.27 0.24 1.61 7.02 -1.24 -4.84 117.44 119.10 1xsf n TRP 95 Ca 0.00 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.61 1xsf n TRP 95 Cb 0.41 -3.57 0.38 0.00 -2.42 0.00 0.00 31.31 26.11 1xsf n TRP 95 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1xsf h GLY 96 N 0.00 0.00 1.02 6.99 0.00 -1.90 -2.87 103.07 106.31 1xsf h GLY 96 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1xsf h GLY 96 CO 0.60 0.00 -0.85 0.00 0.00 0.00 0.00 176.54 176.29 1xsf h ALA 97 N 1.94 0.51 -2.63 3.60 0.00 -1.89 -3.44 119.26 117.35 1xsf h ALA 97 Ca -0.00 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.21 1xsf h ALA 97 Cb 0.82 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.41 1xsf h ALA 97 CO 0.01 0.00 -0.46 -1.58 0.00 0.00 0.00 179.25 177.22 1xsf s TRP 98 N -3.27 3.23 0.00 0.00 0.51 -1.08 -5.07 118.94 113.26 1xsf s TRP 98 Ca 0.03 -0.37 0.00 0.00 -2.12 0.00 0.00 56.10 53.63 1xsf s TRP 98 Cb 0.11 -2.52 0.00 0.00 -0.81 0.00 0.00 33.47 30.25 1xsf s TRP 98 CO 0.76 -0.46 0.00 -2.30 -0.51 0.00 0.00 176.95 174.45 1xsf n PRO 99 N 5.13 2.56 0.21 4.98 -0.02 -1.26 -4.17 135.00 142.43 1xsf n PRO 99 Ca -0.12 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.54 1xsf n PRO 99 Cb 0.49 0.00 0.84 0.00 -0.02 0.00 0.00 33.50 34.81 1xsf n PRO 99 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1xsf h VAL 100 N 0.00 0.35 -0.77 -1.45 2.07 -1.97 0.25 116.25 114.73 1xsf h VAL 100 Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 1xsf h VAL 100 Cb 0.00 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 1xsf h VAL 100 CO 0.00 0.00 0.50 0.00 0.02 0.00 0.00 177.57 178.09 1xsf h ALA 102 N 1.61 0.41 -0.53 0.00 0.00 -1.10 -0.76 119.26 118.89 1xsf h ALA 102 Ca 0.35 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1xsf h ALA 102 Cb 0.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1xsf h ALA 102 CO -0.13 0.41 0.14 0.00 0.00 0.00 0.00 179.25 179.67 1xsf h ALA 103 N 0.70 0.70 -0.95 0.00 0.00 -1.35 0.16 119.26 118.51 1xsf h ALA 103 Ca 0.04 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1xsf h ALA 103 Cb 0.84 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1xsf h ALA 103 CO 0.07 0.38 0.62 0.00 0.00 0.00 0.00 179.25 180.32 1xsf h ARG 104 N 0.74 1.26 0.00 0.00 3.08 -0.50 -2.71 114.38 116.24 1xsf h ARG 104 Ca 0.17 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 1xsf h ARG 104 Cb 0.31 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1xsf h ARG 104 CO -0.00 0.84 -0.19 0.00 -1.07 0.00 0.00 179.97 179.55 1xsf h ALA 105 N 1.39 0.90 0.00 0.04 0.00 -0.65 -3.48 119.26 117.47 1xsf h ALA 105 Ca 0.35 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1xsf h ALA 105 Cb -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1xsf h ALA 105 CO -0.07 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.82 1xsf n GLY 106 N 0.93 0.82 3.78 0.00 0.00 -0.11 -4.34 105.19 106.27 1xsf n GLY 106 Ca 0.03 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 1xsf n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsf s ALA 107 N -1.75 2.65 0.00 4.61 0.00 -0.33 -4.88 121.76 122.06 1xsf s ALA 107 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.60 1xsf s ALA 107 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1xsf s ALA 107 CO 0.00 -0.88 0.00 0.54 0.00 0.00 0.00 175.76 175.42