#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 1.53 -3.15 3.53 2.07 -2.13 -3.43 116.25 114.67 1xsf h VAL 2 Ca 0.00 -1.62 -0.61 0.00 0.82 0.00 0.00 66.70 65.29 1xsf h VAL 2 Cb 0.00 2.59 -0.09 0.00 -1.52 0.00 0.00 31.29 32.27 1xsf h VAL 2 CO 0.00 0.43 -0.37 -0.69 0.02 0.00 0.00 177.57 176.96 1xsf s VAL 3 N -3.51 5.33 0.19 2.57 1.01 -1.26 -5.08 120.40 119.65 1xsf s VAL 3 Ca -0.17 0.46 -0.22 0.00 0.00 0.00 0.00 61.98 62.06 1xsf s VAL 3 Cb 0.00 -3.57 -0.08 0.00 0.00 0.00 0.00 36.38 32.73 1xsf s VAL 3 CO 0.69 0.46 0.73 -0.69 0.00 0.00 0.00 175.10 176.29 1xsf s VAL 4 N 0.04 4.51 -0.38 2.92 1.01 -1.26 -5.05 120.40 122.19 1xsf s VAL 4 Ca 0.15 1.43 -0.10 0.00 0.00 0.00 0.00 61.98 63.46 1xsf s VAL 4 Cb -0.13 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.33 1xsf s VAL 4 CO 0.04 0.34 0.20 0.42 0.00 0.00 0.00 175.10 176.10 1xsf s THR 5 N -1.36 4.37 0.39 3.92 -4.23 -1.26 -5.09 115.64 112.38 1xsf s THR 5 Ca 0.39 -1.01 -0.01 0.00 -1.18 0.00 0.00 61.69 59.88 1xsf s THR 5 Cb -0.19 -3.49 -0.03 0.00 1.34 0.00 0.00 72.50 70.13 1xsf s THR 5 CO 0.23 -0.28 0.62 -2.16 -0.54 0.00 0.00 174.62 172.48 1xsf s PRO 6 N 1.50 3.50 2.17 3.99 0.05 -1.26 -4.97 135.00 139.98 1xsf s PRO 6 Ca 0.01 -0.19 0.00 0.00 0.05 0.00 0.00 61.00 60.87 1xsf s PRO 6 Cb -0.20 -2.58 0.00 0.00 0.05 0.00 0.00 34.50 31.77 1xsf s PRO 6 CO 0.05 0.05 0.00 0.00 0.05 0.00 0.00 177.00 177.15 1xsf n ALA 7 N -1.92 0.00 0.00 8.56 0.00 -1.26 -4.82 120.51 121.07 1xsf n ALA 7 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1xsf n ALA 7 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 0.00 0.00 -4.07 0.00 -0.00 -1.26 -4.93 115.22 104.96 1xsf n HIS 8 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.40 1xsf n HIS 8 Cb 0.00 -0.19 -0.07 0.00 -0.00 0.00 0.00 29.99 29.74 1xsf n HIS 8 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 1xsf s GLU 9 N 0.00 3.03 -0.59 1.57 -1.05 -1.26 -5.05 118.70 115.34 1xsf s GLU 9 Ca 0.00 -0.55 0.06 0.00 -0.15 0.00 0.00 54.97 54.33 1xsf s GLU 9 Cb 0.00 -2.83 0.22 0.00 -0.44 0.00 0.00 34.13 31.08 1xsf s GLU 9 CO 0.00 0.62 0.58 0.00 0.95 0.00 0.00 175.26 177.41 1xsf n ALA 10 N 0.88 3.44 0.41 -0.84 0.00 -1.26 -4.94 120.51 118.20 1xsf n ALA 10 Ca -0.11 -4.25 -0.19 0.00 0.00 0.00 0.00 53.44 48.89 1xsf n ALA 10 Cb 0.52 -0.90 -0.09 0.00 0.00 0.00 0.00 19.45 18.98 1xsf n ALA 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xsf h VAL 11 N 3.53 0.26 -4.99 0.00 2.07 -2.01 -3.48 116.25 111.63 1xsf h VAL 11 Ca 0.17 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.60 1xsf h VAL 11 Cb 0.76 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1xsf h VAL 11 CO 0.68 0.00 -0.77 0.55 0.02 0.00 0.00 177.57 178.05 1xsf n VAL 12 N -5.52 -1.87 -3.85 2.57 3.14 -1.26 -4.94 118.33 106.60 1xsf n VAL 12 Ca -0.14 0.26 -0.36 0.00 -2.96 0.00 0.00 64.34 61.13 1xsf n VAL 12 Cb 0.41 -2.27 -0.13 0.00 -1.06 0.00 0.00 33.84 30.78 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 -1.06 2.70 0.34 1.45 0.52 -1.26 -5.08 118.95 116.55 1xsf s ARG 13 Ca 0.09 -1.10 0.08 0.00 -0.52 0.00 0.00 55.73 54.29 1xsf s ARG 13 Cb -0.01 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 32.16 1xsf s ARG 13 CO 0.21 -0.55 0.12 0.08 0.02 0.00 0.00 175.30 175.18 1xsf s VAL 14 N 1.36 2.96 0.00 3.52 1.01 -1.26 -5.08 120.40 122.91 1xsf s VAL 14 Ca -0.02 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.22 1xsf s VAL 14 Cb -0.19 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1xsf s VAL 14 CO 0.00 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.52 1xsf n GLY 15 N -1.11 1.30 0.12 4.51 0.00 -1.26 -5.08 105.19 103.66 1xsf n GLY 15 Ca -0.03 0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 1xsf n GLY 15 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xsf h THR 16 N 0.00 0.00 -5.27 2.61 2.02 -2.08 -3.48 112.91 106.71 1xsf h THR 16 Ca 0.00 -0.06 -0.28 0.00 0.77 0.00 0.00 66.41 66.84 1xsf h THR 16 Cb 0.00 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 66.42 1xsf h THR 16 CO 0.00 0.00 -0.84 0.29 0.37 0.00 0.00 175.52 175.34 1xsf n LYS 17 N -2.94 -1.31 -1.58 6.66 4.76 -1.26 -4.93 118.16 117.57 1xsf n LYS 17 Ca -0.04 0.94 -0.30 0.00 -2.87 0.00 0.00 58.31 56.04 1xsf n LYS 17 Cb 0.11 -1.39 0.09 0.00 -1.84 0.00 0.00 35.03 32.00 1xsf n LYS 17 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1xsf s PRO 18 N -1.92 2.17 -0.81 1.97 0.02 -1.26 -4.15 135.00 131.02 1xsf s PRO 18 Ca 0.24 0.64 -0.04 0.00 0.02 0.00 0.00 61.00 61.87 1xsf s PRO 18 Cb -0.03 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.57 1xsf s PRO 18 CO 0.61 -1.56 0.70 0.41 -0.33 0.00 0.00 177.00 176.82 1xsf n GLY 19 N -2.16 -0.01 0.07 0.52 0.00 -1.26 -4.95 105.19 97.41 1xsf n GLY 19 Ca 0.07 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.50 1.02 -3.58 2.61 2.02 -1.96 -3.43 112.91 108.09 1xsf h THR 20 Ca -0.36 -0.26 -0.25 0.00 0.77 0.00 0.00 66.41 66.31 1xsf h THR 20 Cb 1.22 1.20 -0.30 0.00 -1.74 0.00 0.00 68.15 68.53 1xsf h THR 20 CO 0.33 0.07 -0.70 -1.61 0.37 0.00 0.00 175.52 173.98 1xsf s GLU 21 N -5.72 0.01 -0.29 6.66 2.02 -1.26 -5.13 118.70 114.99 1xsf s GLU 21 Ca -0.14 0.12 -0.16 0.00 0.02 0.00 0.00 54.97 54.80 1xsf s GLU 21 Cb 0.05 -0.09 -0.03 0.00 0.10 0.00 0.00 34.13 34.16 1xsf s GLU 21 CO 0.66 -0.07 0.44 0.08 0.02 0.00 0.00 175.26 176.38 1xsf s VAL 22 N 0.48 5.11 0.42 2.63 1.01 -1.26 -5.05 120.40 123.74 1xsf s VAL 22 Ca -0.04 0.56 -0.25 0.00 0.00 0.00 0.00 61.98 62.25 1xsf s VAL 22 Cb -0.06 -3.80 -0.10 0.00 0.00 0.00 0.00 36.38 32.42 1xsf s VAL 22 CO -0.02 0.04 1.18 -2.65 0.00 0.00 0.00 175.10 173.65 1xsf n PRO 23 N 5.48 1.71 -1.62 2.72 -0.02 -1.26 -4.93 135.00 137.08 1xsf n PRO 23 Ca -0.07 0.61 -0.38 0.00 -2.02 0.00 0.00 63.50 61.64 1xsf n PRO 23 Cb 0.50 -2.25 0.04 0.00 -0.02 0.00 0.00 33.50 31.77 1xsf n PRO 23 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1xsf n PRO 24 N 0.07 1.03 -4.24 0.52 -0.04 -1.26 -4.96 135.00 126.13 1xsf n PRO 24 Ca 0.08 0.39 -0.24 0.00 -0.04 0.00 0.00 63.50 63.69 1xsf n PRO 24 Cb 0.39 -2.16 -0.07 0.00 -0.04 0.00 0.00 33.50 31.62 1xsf n PRO 24 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1xsf s VAL 25 N -1.46 3.69 0.36 0.52 1.01 -1.26 -4.96 120.40 118.30 1xsf s VAL 25 Ca 0.73 -1.70 0.09 0.00 0.00 0.00 0.00 61.98 61.10 1xsf s VAL 25 Cb -0.44 -2.95 0.32 0.00 0.00 0.00 0.00 36.38 33.31 1xsf s VAL 25 CO 0.49 -0.30 1.90 0.40 0.00 0.00 0.00 175.10 177.59 1xsf h ILE 26 N 1.97 0.88 0.00 2.22 1.08 -2.02 0.11 117.51 121.74 1xsf h ILE 26 Ca -0.46 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 1xsf h ILE 26 Cb 1.24 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 35.12 1xsf h ILE 26 CO 0.60 0.13 -1.02 0.47 -0.69 0.00 0.00 178.15 177.63 1xsf n ASP 27 N -4.53 0.85 0.00 1.72 8.00 -1.26 -4.31 116.55 117.02 1xsf n ASP 27 Ca 0.15 -0.69 0.09 0.00 0.71 0.00 0.00 54.79 55.05 1xsf n ASP 27 Cb 0.41 1.18 0.52 0.00 -0.02 0.00 0.00 41.12 43.21 1xsf n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xsf n GLY 28 N 1.42 -0.74 0.09 0.44 0.00 0.30 -1.72 105.19 104.99 1xsf n GLY 28 Ca 0.02 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 1xsf n GLY 28 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xsf h SER 29 N 0.00 0.17 -0.40 1.61 4.64 -1.57 0.59 113.55 118.58 1xsf h SER 29 Ca 0.00 -0.89 -0.04 0.00 -0.47 0.00 0.00 61.79 60.40 1xsf h SER 29 Cb 0.08 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 1xsf h SER 29 CO 0.00 1.04 0.14 0.40 -0.87 0.00 0.00 176.83 177.54 1xsf h ILE 30 N -0.68 1.19 -0.10 0.95 2.04 -1.50 0.35 117.51 119.76 1xsf h ILE 30 Ca -0.04 -0.66 -0.20 0.00 1.00 0.00 0.00 64.86 64.96 1xsf h ILE 30 Cb 1.10 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1xsf h ILE 30 CO 0.05 0.25 -0.76 -0.50 0.00 0.00 0.00 178.15 177.18 1xsf h TRP 31 N 0.67 0.75 0.06 1.37 -0.00 -1.36 -0.35 115.95 117.09 1xsf h TRP 31 Ca 0.16 -0.34 -0.24 0.00 -0.00 0.00 0.00 58.89 58.47 1xsf h TRP 31 Cb 0.21 -0.11 -0.00 0.00 -0.00 0.00 0.00 29.16 29.26 1xsf h TRP 31 CO 0.01 1.12 -1.06 0.22 -0.00 0.00 0.00 178.44 178.74 1xsf h ASP 32 N 0.37 0.39 0.13 -3.49 3.58 -0.39 -0.61 116.42 116.40 1xsf h ASP 32 Ca -0.04 -0.36 -0.13 0.00 0.42 0.00 0.00 57.03 56.91 1xsf h ASP 32 Cb 1.36 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.28 1xsf h ASP 32 CO 0.14 1.22 -0.47 0.00 -2.88 0.00 0.00 179.24 177.25 1xsf h ALA 33 N 0.74 0.90 -0.34 -0.78 0.00 -0.28 0.14 119.26 119.65 1xsf h ALA 33 Ca -0.09 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 1xsf h ALA 33 Cb 1.74 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1xsf h ALA 33 CO 0.17 0.65 0.06 0.82 0.00 0.00 0.00 179.25 180.95 1xsf h ILE 34 N 0.32 1.23 -0.73 0.00 2.04 -1.02 -1.17 117.51 118.18 1xsf h ILE 34 Ca 0.02 -0.82 0.06 0.00 1.00 0.00 0.00 64.86 65.13 1xsf h ILE 34 Cb 0.95 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 38.10 1xsf h ILE 34 CO 0.08 0.27 0.48 0.00 0.00 0.00 0.00 178.15 178.98 1xsf h ALA 35 N 0.90 1.69 0.00 1.87 0.00 -0.74 0.55 119.26 123.52 1xsf h ALA 35 Ca 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1xsf h ALA 35 Cb 0.35 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xsf h ALA 35 CO 0.01 0.20 -0.08 0.78 0.00 0.00 0.00 179.25 180.15 1xsf h GLY 36 N 0.77 0.00 0.00 0.00 0.00 -0.39 0.45 103.07 103.90 1xsf h GLY 36 Ca 0.32 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.42 1xsf h GLY 36 CO -0.11 0.00 -1.45 0.00 0.00 0.00 0.00 176.54 174.99 1xsf h GLU 38 N -1.00 0.08 0.00 0.00 4.57 -0.15 -3.34 114.58 114.74 1xsf h GLU 38 Ca -0.35 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 1xsf h GLU 38 Cb 1.21 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1xsf h GLU 38 CO -0.21 0.77 -1.28 0.00 -1.18 0.00 0.00 179.01 177.11 1xsf n ALA 39 N -2.60 3.91 -0.99 2.92 0.00 -0.75 -4.95 120.51 118.05 1xsf n ALA 39 Ca -0.16 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1xsf n ALA 39 Cb 1.03 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 1.42 0.47 1.37 0.00 0.00 -0.69 -3.79 105.19 103.96 1xsf n GLY 40 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.99 0.86 2.89 -0.02 0.00 0.15 -4.84 105.19 101.23 1xsf n GLY 41 Ca 0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.94 0.53 0.35 1.61 2.47 -1.25 -4.95 114.94 110.75 1xsf s ASN 42 Ca 0.00 -0.69 0.26 0.00 0.42 0.00 0.00 52.86 52.85 1xsf s ASN 42 Cb 0.00 1.00 0.86 0.00 -1.45 0.00 0.00 41.25 41.66 1xsf s ASN 42 CO 0.00 -0.33 1.76 -0.50 -3.72 0.00 0.00 177.10 174.32 1xsf h TRP 43 N 7.87 0.00 -0.64 0.43 4.06 -1.88 -0.89 115.95 124.90 1xsf h TRP 43 Ca -0.05 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.90 1xsf h TRP 43 Cb 1.11 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.27 1xsf h TRP 43 CO 0.27 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 175.15 1xsf n ALA 44 N -1.92 2.98 -1.77 1.49 0.00 -1.26 -3.19 120.51 116.85 1xsf n ALA 44 Ca 0.03 -1.58 -0.38 0.00 0.00 0.00 0.00 53.44 51.51 1xsf n ALA 44 Cb 0.38 -0.97 -0.05 0.00 0.00 0.00 0.00 19.45 18.81 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 -1.77 3.90 -0.37 0.00 2.07 -0.98 -4.82 121.20 119.21 1xsf s ILE 45 Ca 0.50 1.65 0.02 0.00 -1.41 0.00 0.00 60.65 61.41 1xsf s ILE 45 Cb 0.32 -3.95 0.15 0.00 0.13 0.00 0.00 42.46 39.11 1xsf s ILE 45 CO 0.25 0.20 0.34 0.21 -1.91 0.00 0.00 174.94 174.03 1xsf s ASN 46 N -1.38 1.61 0.53 4.50 3.84 -1.26 0.19 114.94 122.98 1xsf s ASN 46 Ca 0.50 -1.87 0.31 0.00 0.21 0.00 0.00 52.86 52.01 1xsf s ASN 46 Cb -0.23 0.26 1.42 0.00 -0.55 0.00 0.00 41.25 42.14 1xsf s ASN 46 CO 0.30 -0.26 2.02 0.71 -2.79 0.00 0.00 177.10 177.08 1xsf h THR 47 N 4.99 0.26 0.00 -5.21 1.35 -1.96 -3.46 112.91 108.88 1xsf h THR 47 Ca 0.07 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1xsf h THR 47 Cb 1.02 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1xsf h THR 47 CO 0.22 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 1xsf n GLY 48 N -0.25 0.86 1.54 5.82 0.00 -1.26 -4.97 105.19 106.94 1xsf n GLY 48 Ca -0.01 -0.51 0.09 0.00 0.00 0.00 0.00 46.02 45.59 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 1.00 4.75 0.00 1.61 2.04 -1.26 -4.89 115.26 118.50 1xsf n ASN 49 Ca 0.00 -2.52 0.00 0.00 -0.44 0.00 0.00 54.58 51.62 1xsf n ASN 49 Cb 0.09 -0.57 0.00 0.00 -2.53 0.00 0.00 39.78 36.76 1xsf n ASN 49 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1xsf n GLY 50 N 0.95 1.19 3.42 4.83 0.00 -1.26 -5.01 105.19 109.31 1xsf n GLY 50 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.33 2.39 0.42 1.61 2.02 -1.26 -0.85 117.35 119.35 1xsf s TYR 51 Ca 0.00 -0.34 0.06 0.00 -0.37 0.00 0.00 57.07 56.42 1xsf s TYR 51 Cb 0.00 -1.30 -0.07 0.00 -0.40 0.00 0.00 41.96 40.19 1xsf s TYR 51 CO 0.00 0.33 0.02 0.71 -1.57 0.00 0.00 175.55 175.04 1xsf s TYR 52 N -1.05 2.45 1.12 2.71 2.02 -1.02 -4.52 117.35 119.06 1xsf s TYR 52 Ca 0.15 -0.69 -0.14 0.00 -0.37 0.00 0.00 57.07 56.02 1xsf s TYR 52 Cb -0.10 -1.78 0.22 0.00 -0.40 0.00 0.00 41.96 39.90 1xsf s TYR 52 CO 0.07 0.41 0.75 0.41 -1.57 0.00 0.00 175.55 175.61 1xsf n GLY 53 N -1.02 -1.96 4.68 0.71 0.00 0.13 -1.96 105.19 105.77 1xsf n GLY 53 Ca -0.06 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 1.21 1.65 0.19 -0.02 0.00 -0.37 -3.56 105.19 104.28 1xsf n GLY 54 Ca 0.04 -0.36 0.14 0.00 0.00 0.00 0.00 46.02 45.84 1xsf n GLY 54 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xsf n VAL 55 N 0.00 0.00 -3.69 1.61 0.24 -1.26 -3.73 118.33 111.49 1xsf n VAL 55 Ca 0.00 -0.10 -0.23 0.00 -2.04 0.00 0.00 64.34 61.97 1xsf n VAL 55 Cb 0.00 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.40 1xsf n VAL 55 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1xsf n GLN 56 N -0.69 -3.67 -4.51 7.34 -0.06 -0.83 -4.93 117.38 110.03 1xsf n GLN 56 Ca 0.17 0.58 -0.25 0.00 -2.00 0.00 0.00 57.00 55.50 1xsf n GLN 56 Cb 0.27 -4.92 -0.10 0.00 -4.06 0.00 0.00 30.24 21.43 1xsf n GLN 56 CO 0.00 0.00 0.00 -0.59 -0.20 0.00 0.00 177.06 176.27 1xsf s PHE 57 N -3.65 2.32 0.61 3.69 -0.71 -1.24 -4.74 117.98 114.26 1xsf s PHE 57 Ca 0.14 -0.46 -0.15 0.00 -1.04 0.00 0.00 56.93 55.41 1xsf s PHE 57 Cb -0.04 -1.23 -0.03 0.00 -1.21 0.00 0.00 43.02 40.51 1xsf s PHE 57 CO 0.83 0.60 1.07 0.34 -1.34 0.00 0.00 175.22 176.71 1xsf s ASP 58 N -3.56 5.65 0.29 1.98 2.15 -1.26 -2.44 116.67 119.48 1xsf s ASP 58 Ca 0.31 1.83 0.03 0.00 0.43 0.00 0.00 52.55 55.15 1xsf s ASP 58 Cb 0.00 -2.53 0.63 0.00 -0.30 0.00 0.00 42.92 40.72 1xsf s ASP 58 CO 0.15 -1.26 1.81 -0.61 -0.17 0.00 0.00 175.17 175.10 1xsf h GLN 59 N 0.30 0.88 -0.03 4.34 5.75 -1.37 0.48 115.11 125.47 1xsf h GLN 59 Ca -0.47 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 57.97 1xsf h GLN 59 Cb 1.22 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 29.57 1xsf h GLN 59 CO 0.57 0.58 -0.01 0.78 -2.65 0.00 0.00 178.83 178.10 1xsf h GLY 60 N 0.91 0.06 1.25 2.39 0.00 -1.92 0.41 103.07 106.16 1xsf h GLY 60 Ca 0.53 -0.05 -0.08 0.00 0.00 0.00 0.00 47.33 47.72 1xsf h GLY 60 CO -0.31 0.05 -0.00 -0.84 0.00 0.00 0.00 176.54 175.44 1xsf h THR 61 N -0.35 1.25 -0.26 4.70 2.02 -1.86 0.40 112.91 118.81 1xsf h THR 61 Ca 0.01 -1.08 0.04 0.00 0.77 0.00 0.00 66.41 66.15 1xsf h THR 61 Cb 0.44 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 1xsf h THR 61 CO 0.00 0.38 0.03 -0.25 0.37 0.00 0.00 175.52 176.06 1xsf h TRP 62 N 0.84 0.05 -0.22 3.16 2.91 0.08 -1.58 115.95 121.19 1xsf h TRP 62 Ca 0.16 0.02 -0.09 0.00 1.13 0.00 0.00 58.89 60.10 1xsf h TRP 62 Cb 0.50 0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.15 1xsf h TRP 62 CO 0.03 0.00 -0.25 1.49 -1.03 0.00 0.00 178.44 178.68 1xsf h GLU 63 N 0.13 0.42 -0.65 2.65 4.81 0.27 0.13 114.58 122.33 1xsf h GLU 63 Ca 0.12 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1xsf h GLU 63 Cb 0.14 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1xsf h GLU 63 CO -0.17 0.64 0.27 0.00 -0.73 0.00 0.00 179.01 179.02 1xsf h ALA 64 N 1.37 0.84 0.00 2.92 0.00 0.53 -1.73 119.26 123.19 1xsf h ALA 64 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xsf h ALA 64 Cb 0.64 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1xsf h ALA 64 CO 0.05 0.45 -0.39 0.09 0.00 0.00 0.00 179.25 179.45 1xsf n ASN 65 N -4.43 0.47 -0.40 0.00 3.02 -0.67 -4.97 115.26 108.30 1xsf n ASN 65 Ca 0.05 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1xsf n ASN 65 Cb 0.16 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 1xsf n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xsf n GLY 66 N 1.44 0.58 0.09 7.41 0.00 -0.30 -4.88 105.19 109.53 1xsf n GLY 66 Ca 0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 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 1.93 -0.02 0.00 -1.04 -3.34 103.07 100.60 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 0.04 1.41 0.00 0.00 0.00 176.54 177.99 1xsf h LEU 68 N 0.00 0.00 -0.82 3.11 4.07 -1.76 0.43 115.31 120.34 1xsf h LEU 68 Ca -0.01 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.84 1xsf h LEU 68 Cb 1.62 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.34 1xsf h LEU 68 CO 0.10 0.00 -0.51 0.08 -1.08 0.00 0.00 178.44 177.03 1xsf h ARG 69 N 0.00 0.00 0.03 1.13 0.11 -1.97 -2.82 114.38 110.86 1xsf h ARG 69 Ca 0.00 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.75 1xsf h ARG 69 Cb 0.07 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.11 1xsf h ARG 69 CO -0.00 0.51 -1.93 0.66 0.10 0.00 0.00 179.97 179.31 1xsf n TYR 70 N -3.66 0.86 0.00 4.08 4.01 0.12 -4.97 117.16 117.61 1xsf n TYR 70 Ca -0.01 0.26 0.00 0.00 -0.16 0.00 0.00 57.90 58.00 1xsf n TYR 70 Cb 0.57 -1.14 0.00 0.00 -0.31 0.00 0.00 39.34 38.46 1xsf n TYR 70 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xsf n ALA 71 N -2.75 0.00 0.25 -0.72 0.00 0.53 -4.67 120.51 113.15 1xsf n ALA 71 Ca -0.25 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.20 1xsf n ALA 71 Cb 1.06 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.58 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 0.12 -3.68 0.00 -0.02 -1.14 -2.99 135.00 127.29 1xsf n PRO 72 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.34 1xsf n PRO 72 Cb 0.00 -1.31 -0.09 0.00 -0.02 0.00 0.00 33.50 32.09 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 -2.00 0.67 0.50 -0.52 1.70 -1.26 -4.79 118.95 113.24 1xsf s ARG 73 Ca 0.04 0.55 0.17 0.00 -0.47 0.00 0.00 55.73 56.01 1xsf s ARG 73 Cb 0.02 0.32 1.21 0.00 -0.57 0.00 0.00 34.95 35.93 1xsf s ARG 73 CO 0.03 -0.12 2.09 0.00 -1.08 0.00 0.00 175.30 176.22 1xsf h ALA 74 N 4.85 1.81 -0.23 7.88 0.00 -1.86 -1.93 119.26 129.78 1xsf h ALA 74 Ca -0.28 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1xsf h ALA 74 Cb 1.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1xsf h ALA 74 CO 0.23 0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.18 1xsf n ASP 75 N -4.36 1.54 -0.08 0.00 5.75 -1.25 -3.38 116.55 114.77 1xsf n ASP 75 Ca -0.03 -2.06 -0.13 0.00 -0.01 0.00 0.00 54.79 52.56 1xsf n ASP 75 Cb 0.16 -0.24 -0.07 0.00 -1.03 0.00 0.00 41.12 39.94 1xsf n ASP 75 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1xsf n LEU 76 N 0.20 2.33 -5.00 -2.12 7.94 -0.73 -4.74 117.00 114.88 1xsf n LEU 76 Ca 0.08 0.02 -0.18 0.00 -1.11 0.00 0.00 56.01 54.82 1xsf n LEU 76 Cb 0.27 -0.51 0.01 0.00 0.53 0.00 0.00 43.42 43.72 1xsf n LEU 76 CO 0.07 0.61 0.14 0.00 -1.11 0.00 0.00 177.39 177.09 1xsf s ALA 77 N -2.30 4.32 0.74 1.96 0.00 -1.21 -5.03 121.76 120.24 1xsf s ALA 77 Ca -0.21 -1.53 -0.01 0.00 0.00 0.00 0.00 51.96 50.21 1xsf s ALA 77 Cb 0.06 -1.71 0.14 0.00 0.00 0.00 0.00 23.12 21.61 1xsf s ALA 77 CO 0.33 -0.23 1.02 0.95 0.00 0.00 0.00 175.76 177.83 1xsf s THR 78 N -2.33 2.07 0.30 0.00 -4.23 -1.26 -4.82 115.64 105.38 1xsf s THR 78 Ca 0.51 -0.59 0.06 0.00 -1.18 0.00 0.00 61.69 60.49 1xsf s THR 78 Cb -0.10 -2.49 0.31 0.00 1.34 0.00 0.00 72.50 71.57 1xsf s THR 78 CO 0.33 0.00 1.66 0.03 -0.54 0.00 0.00 174.62 176.10 1xsf h ARG 79 N -0.60 0.28 -0.83 3.99 3.08 -1.93 0.37 114.38 118.73 1xsf h ARG 79 Ca -0.36 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 59.75 1xsf h ARG 79 Cb 1.26 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 31.20 1xsf h ARG 79 CO 0.38 0.18 0.54 1.05 -1.07 0.00 0.00 179.97 181.06 1xsf h GLU 80 N 0.29 0.87 -0.01 0.04 4.11 -1.92 0.14 114.58 118.08 1xsf h GLU 80 Ca 0.60 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.97 1xsf h GLU 80 Cb 1.24 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1xsf h GLU 80 CO -0.61 0.57 -0.03 1.49 0.07 0.00 0.00 179.01 180.50 1xsf h GLU 81 N 0.89 0.04 -0.21 1.06 4.57 -0.61 -1.66 114.58 118.67 1xsf h GLU 81 Ca 0.36 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.49 1xsf h GLU 81 Cb 0.27 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1xsf h GLU 81 CO -0.13 0.63 0.03 1.96 -1.18 0.00 0.00 179.01 180.32 1xsf h GLN 82 N -0.54 0.30 -0.29 1.92 7.50 -1.19 -0.13 115.11 122.68 1xsf h GLN 82 Ca -0.00 -0.04 -0.03 0.00 0.50 0.00 0.00 58.65 59.08 1xsf h GLN 82 Cb 0.63 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.10 1xsf h GLN 82 CO 0.01 0.30 0.08 0.82 -1.50 0.00 0.00 178.83 178.53 1xsf h ILE 83 N 0.30 1.21 -0.11 2.54 2.04 -0.70 -1.48 117.51 121.31 1xsf h ILE 83 Ca 0.07 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 1xsf h ILE 83 Cb 0.15 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1xsf h ILE 83 CO -0.00 0.23 0.00 0.00 0.00 0.00 0.00 178.15 178.38 1xsf h ALA 84 N 0.91 0.15 -0.07 1.87 0.00 -0.14 -0.44 119.26 121.53 1xsf h ALA 84 Ca 0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1xsf h ALA 84 Cb 0.27 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1xsf h ALA 84 CO -0.00 -0.17 -0.06 0.28 0.00 0.00 0.00 179.25 179.30 1xsf h VAL 85 N -0.07 1.36 -0.01 0.00 2.07 -1.13 -2.56 116.25 115.91 1xsf h VAL 85 Ca 0.03 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.29 1xsf h VAL 85 Cb 0.35 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1xsf h VAL 85 CO 0.01 0.33 -0.32 0.00 0.02 0.00 0.00 177.57 177.60 1xsf h ALA 86 N 0.56 1.45 -0.01 1.67 0.00 -1.33 -2.67 119.26 118.94 1xsf h ALA 86 Ca 0.01 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1xsf h ALA 86 Cb 0.56 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1xsf h ALA 86 CO 0.02 0.41 -0.52 1.05 0.00 0.00 0.00 179.25 180.21 1xsf h GLU 87 N 0.01 0.02 -0.71 0.00 -0.00 -0.91 0.49 114.58 113.49 1xsf h GLU 87 Ca -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.36 59.34 1xsf h GLU 87 Cb 0.58 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.30 1xsf h GLU 87 CO 0.04 0.53 0.40 0.28 -0.00 0.00 0.00 179.01 180.27 1xsf h VAL 88 N 0.01 1.21 -0.34 -1.06 2.07 -1.10 -1.04 116.25 116.01 1xsf h VAL 88 Ca -0.00 -0.50 -0.07 0.00 0.82 0.00 0.00 66.70 66.94 1xsf h VAL 88 Cb 0.93 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1xsf h VAL 88 CO 0.07 0.23 -0.07 0.74 0.02 0.00 0.00 177.57 178.56 1xsf h THR 89 N 0.97 1.28 -0.35 2.57 2.02 -1.11 -3.01 112.91 115.28 1xsf h THR 89 Ca 0.25 -1.12 -0.04 0.00 0.77 0.00 0.00 66.41 66.28 1xsf h THR 89 Cb 0.01 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1xsf h THR 89 CO -0.04 0.36 0.05 0.08 0.37 0.00 0.00 175.52 176.34 1xsf h ARG 90 N 0.43 0.53 0.00 6.66 -0.00 0.12 -2.71 114.38 119.41 1xsf h ARG 90 Ca 0.09 -0.10 -0.05 0.00 -0.00 0.00 0.00 59.98 59.92 1xsf h ARG 90 Cb 0.56 -0.09 -0.01 0.00 -0.00 0.00 0.00 29.97 30.44 1xsf h ARG 90 CO 0.03 0.52 -0.25 1.37 -0.00 0.00 0.00 179.97 181.64 1xsf h LEU 91 N 0.51 0.00 0.03 0.08 8.10 -1.05 0.39 115.31 123.37 1xsf h LEU 91 Ca 0.12 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.97 1xsf h LEU 91 Cb 0.26 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.47 1xsf h LEU 91 CO 0.00 0.25 -0.72 0.03 -4.11 0.00 0.00 178.44 173.89 1xsf h ARG 92 N 0.00 0.06 0.00 0.17 3.08 -1.46 -3.41 114.38 112.82 1xsf h ARG 92 Ca -0.00 -0.11 -0.30 0.00 0.07 0.00 0.00 59.98 59.63 1xsf h ARG 92 Cb 0.87 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.90 1xsf h ARG 92 CO 0.03 1.05 -2.22 0.00 -1.07 0.00 0.00 179.97 177.77 1xsf n GLN 93 N -4.40 0.68 -0.93 0.04 10.64 -1.05 -5.01 117.38 117.35 1xsf n GLN 93 Ca -0.20 0.01 0.00 0.00 -1.83 0.00 0.00 57.00 54.98 1xsf n GLN 93 Cb 0.65 -1.56 0.00 0.00 -0.86 0.00 0.00 30.24 28.46 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 1.65 0.98 2.53 2.61 0.00 0.14 -3.99 105.19 109.11 1xsf n GLY 94 Ca -0.26 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.93 0.00 0.21 1.61 7.02 -1.20 -4.81 117.44 119.35 1xsf n TRP 95 Ca 0.00 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.59 1xsf n TRP 95 Cb 0.19 -1.29 0.68 0.00 -2.42 0.00 0.00 31.31 28.46 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 1.92 6.99 0.00 -1.89 0.43 103.07 110.51 1xsf h GLY 96 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1xsf h GLY 96 CO 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 176.52 1xsf h ALA 97 N 1.94 0.96 -2.77 3.60 0.00 -1.90 -3.41 119.26 117.68 1xsf h ALA 97 Ca 0.05 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.25 1xsf h ALA 97 Cb 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 17.75 1xsf h ALA 97 CO -0.00 0.00 -0.49 -1.58 0.00 0.00 0.00 179.25 177.18 1xsf s TRP 98 N -3.17 3.27 0.00 0.00 0.51 0.14 -5.07 118.94 114.62 1xsf s TRP 98 Ca 0.08 -1.16 0.00 0.00 -2.12 0.00 0.00 56.10 52.90 1xsf s TRP 98 Cb 0.09 -2.66 0.00 0.00 -0.81 0.00 0.00 33.47 30.09 1xsf s TRP 98 CO 0.65 -0.73 0.00 -2.30 -0.51 0.00 0.00 176.95 174.06 1xsf n PRO 99 N 4.98 1.49 0.06 4.98 -0.02 -1.26 -3.95 135.00 141.29 1xsf n PRO 99 Ca -0.11 0.00 0.20 0.00 -2.02 0.00 0.00 63.50 61.57 1xsf n PRO 99 Cb 0.45 0.00 0.74 0.00 -0.02 0.00 0.00 33.50 34.67 1xsf n PRO 99 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1xsf h VAL 100 N 0.00 0.53 -0.92 -1.45 -1.51 -1.97 0.05 116.25 110.97 1xsf h VAL 100 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1xsf h VAL 100 Cb 0.00 0.71 -0.04 0.00 -2.13 0.00 0.00 31.29 29.82 1xsf h VAL 100 CO 0.00 0.00 0.56 0.00 -1.23 0.00 0.00 177.57 176.90 1xsf h ALA 102 N 1.31 0.34 -0.41 0.00 0.00 -1.11 -1.20 119.26 118.19 1xsf h ALA 102 Ca 0.33 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1xsf h ALA 102 Cb -0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1xsf h ALA 102 CO -0.06 0.54 0.25 0.00 0.00 0.00 0.00 179.25 179.97 1xsf h ALA 103 N 0.60 0.51 0.00 0.00 0.00 -1.19 0.59 119.26 119.76 1xsf h ALA 103 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1xsf h ALA 103 Cb 1.14 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1xsf h ALA 103 CO 0.11 -0.08 -0.14 0.00 0.00 0.00 0.00 179.25 179.15 1xsf h ARG 104 N 0.50 0.00 0.00 0.00 -0.00 -0.45 -2.87 114.38 111.56 1xsf h ARG 104 Ca 0.16 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.62 1xsf h ARG 104 Cb -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 29.96 1xsf h ARG 104 CO -0.06 0.14 -0.39 0.00 0.00 0.00 0.00 179.97 179.66 1xsf h ALA 105 N 1.86 0.81 0.00 0.04 0.00 -0.43 -3.48 119.26 118.06 1xsf h ALA 105 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xsf h ALA 105 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1xsf h ALA 105 CO 0.02 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.80 1xsf n GLY 106 N 1.15 0.78 3.77 0.00 0.00 0.05 -4.16 105.19 106.79 1xsf n GLY 106 Ca 0.02 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.55 3.37 0.00 4.61 0.00 -0.35 -4.90 121.76 122.95 1xsf s ALA 107 Ca 0.00 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1xsf s ALA 107 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1xsf s ALA 107 CO 0.00 -0.89 0.00 2.89 0.00 0.00 0.00 175.76 177.76