#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsf n VAL 2 N 0.00 1.61 -1.94 2.41 0.31 -1.26 -4.89 118.33 114.57 1xsf n VAL 2 Ca 0.00 -0.65 -0.42 0.00 -0.01 0.00 0.00 64.34 63.26 1xsf n VAL 2 Cb 0.00 -1.42 -0.03 0.00 -0.91 0.00 0.00 33.84 31.48 1xsf n VAL 2 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1xsf s VAL 3 N -2.54 3.17 0.45 2.52 0.11 -1.26 -4.98 120.40 117.88 1xsf s VAL 3 Ca -0.25 0.52 -0.22 0.00 -2.93 0.00 0.00 61.98 59.10 1xsf s VAL 3 Cb 0.08 -3.34 -0.08 0.00 -1.53 0.00 0.00 36.38 31.51 1xsf s VAL 3 CO 0.71 -0.01 1.08 0.54 -3.33 0.00 0.00 175.10 174.09 1xsf s VAL 4 N 3.03 3.55 -0.23 2.04 0.11 -1.26 -5.04 120.40 122.59 1xsf s VAL 4 Ca 0.74 1.10 0.02 0.00 -2.93 0.00 0.00 61.98 60.91 1xsf s VAL 4 Cb -0.38 -3.52 0.05 0.00 -1.53 0.00 0.00 36.38 30.99 1xsf s VAL 4 CO 0.32 -0.08 -0.12 0.42 -3.33 0.00 0.00 175.10 172.31 1xsf s THR 5 N -1.73 1.97 -0.48 5.04 -4.23 -1.26 -5.06 115.64 109.88 1xsf s THR 5 Ca 0.63 -1.33 -0.43 0.00 -1.18 0.00 0.00 61.69 59.38 1xsf s THR 5 Cb -0.22 -2.03 -0.18 0.00 1.34 0.00 0.00 72.50 71.41 1xsf s THR 5 CO 0.27 0.11 1.98 -2.65 -0.54 0.00 0.00 174.62 173.79 1xsf n PRO 6 N 4.54 0.00 -0.69 3.99 -0.02 -1.26 -4.81 135.00 136.75 1xsf n PRO 6 Ca -0.15 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.34 1xsf n PRO 6 Cb 0.45 -1.44 0.26 0.00 -0.02 0.00 0.00 33.50 32.75 1xsf n PRO 6 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xsf n ALA 7 N 6.71 3.74 1.06 3.55 0.00 -1.26 -4.08 120.51 130.23 1xsf n ALA 7 Ca 0.49 -2.51 0.13 0.00 0.00 0.00 0.00 53.44 51.55 1xsf n ALA 7 Cb -0.04 -0.87 0.61 0.00 0.00 0.00 0.00 19.45 19.15 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 -0.55 0.00 -2.92 0.00 -0.00 -1.26 -4.82 115.22 105.67 1xsf n HIS 8 Ca 0.30 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.63 1xsf n HIS 8 Cb 1.07 -0.41 -0.06 0.00 -0.00 0.00 0.00 29.99 30.58 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 -2.83 4.54 -0.72 1.57 -1.05 -1.26 -4.98 118.70 113.98 1xsf s GLU 9 Ca 0.18 1.19 0.02 0.00 -0.15 0.00 0.00 54.97 56.20 1xsf s GLU 9 Cb 0.18 -3.05 0.36 0.00 -0.44 0.00 0.00 34.13 31.18 1xsf s GLU 9 CO 0.45 0.44 1.51 0.00 0.95 0.00 0.00 175.26 178.62 1xsf n ALA 10 N 1.09 5.65 0.02 -0.84 0.00 -1.26 -4.61 120.51 120.56 1xsf n ALA 10 Ca -0.02 -4.40 0.00 0.00 0.00 0.00 0.00 53.44 49.01 1xsf n ALA 10 Cb 0.49 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1xsf n ALA 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xsf n VAL 11 N -0.36 0.29 -1.73 0.00 0.31 -1.26 -5.07 118.33 110.51 1xsf n VAL 11 Ca 0.44 0.10 -0.11 0.00 -0.01 0.00 0.00 64.34 64.75 1xsf n VAL 11 Cb 0.39 -0.96 0.01 0.00 -0.91 0.00 0.00 33.84 32.37 1xsf n VAL 11 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1xsf n VAL 12 N -2.80 -1.12 -5.21 2.52 0.31 -1.26 -4.95 118.33 105.83 1xsf n VAL 12 Ca 0.00 0.04 -0.32 0.00 -0.01 0.00 0.00 64.34 64.05 1xsf n VAL 12 Cb 0.00 -1.06 -0.17 0.00 -0.91 0.00 0.00 33.84 31.70 1xsf n VAL 12 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xsf s ARG 13 N -0.70 3.04 0.32 5.55 1.70 -1.26 -5.12 118.95 122.47 1xsf s ARG 13 Ca 0.11 -0.87 0.02 0.00 -0.47 0.00 0.00 55.73 54.51 1xsf s ARG 13 Cb -0.01 -2.30 -0.03 0.00 -0.57 0.00 0.00 34.95 32.03 1xsf s ARG 13 CO 0.24 0.19 0.50 0.08 -1.08 0.00 0.00 175.30 175.23 1xsf s VAL 14 N 0.32 5.05 0.00 4.99 1.01 -1.26 -4.89 120.40 125.62 1xsf s VAL 14 Ca -0.18 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1xsf s VAL 14 Cb -0.18 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1xsf s VAL 14 CO 0.09 -0.47 0.00 0.61 0.00 0.00 0.00 175.10 175.33 1xsf n GLY 15 N -1.69 -2.19 0.12 4.51 0.00 -1.26 -4.96 105.19 99.73 1xsf n GLY 15 Ca -0.06 0.73 -0.25 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 1.54 -2.82 2.61 -1.04 -1.26 -5.03 114.28 108.27 1xsf n THR 16 Ca 0.00 -0.16 -0.23 0.00 -2.04 0.00 0.00 64.05 61.62 1xsf n THR 16 Cb 0.00 -1.98 0.02 0.00 -1.82 0.00 0.00 70.33 66.55 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 -4.36 -1.16 -1.17 -2.82 4.76 -1.26 -4.57 118.16 107.58 1xsf n LYS 17 Ca -0.40 0.78 -0.47 0.00 -2.87 0.00 0.00 58.31 55.35 1xsf n LYS 17 Cb 0.76 -1.31 -0.07 0.00 -1.84 0.00 0.00 35.03 32.56 1xsf n LYS 17 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1xsf n PRO 18 N -0.62 0.00 0.04 1.97 -0.02 -1.26 -4.64 135.00 130.46 1xsf n PRO 18 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1xsf n PRO 18 Cb 0.44 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.87 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 3.28 -0.84 0.20 -1.23 0.00 -1.26 -4.93 105.19 100.40 1xsf n GLY 19 Ca 0.25 0.14 -0.03 0.00 0.00 0.00 0.00 46.02 46.38 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 1.32 -3.68 2.61 2.02 -1.89 -3.41 112.91 109.88 1xsf h THR 20 Ca 0.00 -1.59 -0.65 0.00 0.77 0.00 0.00 66.41 64.94 1xsf h THR 20 Cb 0.00 1.71 -0.22 0.00 -1.74 0.00 0.00 68.15 67.90 1xsf h THR 20 CO 0.00 0.48 -0.60 -1.61 0.37 0.00 0.00 175.52 174.16 1xsf s GLU 21 N -4.10 3.65 -0.08 6.66 2.02 -1.26 -5.07 118.70 120.51 1xsf s GLU 21 Ca -0.05 -0.49 -0.30 0.00 0.02 0.00 0.00 54.97 54.15 1xsf s GLU 21 Cb 0.13 -3.41 -0.02 0.00 0.10 0.00 0.00 34.13 30.93 1xsf s GLU 21 CO 0.78 -0.22 1.15 0.08 0.02 0.00 0.00 175.26 177.07 1xsf s VAL 22 N 1.63 4.41 0.10 2.63 1.01 -1.26 -4.90 120.40 124.03 1xsf s VAL 22 Ca 0.06 1.72 -0.34 0.00 0.00 0.00 0.00 61.98 63.41 1xsf s VAL 22 Cb -0.16 -4.10 -0.14 0.00 0.00 0.00 0.00 36.38 31.98 1xsf s VAL 22 CO 0.05 -0.01 1.59 -2.65 0.00 0.00 0.00 175.10 174.08 1xsf n PRO 23 N 5.27 1.99 -0.70 2.72 -0.02 -1.26 -4.95 135.00 138.05 1xsf n PRO 23 Ca 0.11 0.72 -0.32 0.00 -2.02 0.00 0.00 63.50 61.99 1xsf n PRO 23 Cb 0.47 -2.48 0.16 0.00 -0.02 0.00 0.00 33.50 31.62 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 3.82 -0.55 -2.72 0.52 -0.04 -1.26 -4.96 135.00 129.81 1xsf n PRO 24 Ca 0.18 -0.10 -0.42 0.00 -0.04 0.00 0.00 63.50 63.11 1xsf n PRO 24 Cb 0.27 -2.18 -0.03 0.00 -0.04 0.00 0.00 33.50 31.52 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 -2.54 4.79 0.37 0.52 1.01 -1.26 -4.93 120.40 118.36 1xsf s VAL 25 Ca 0.63 1.97 0.08 0.00 0.00 0.00 0.00 61.98 64.67 1xsf s VAL 25 Cb -0.22 -4.28 0.31 0.00 0.00 0.00 0.00 36.38 32.19 1xsf s VAL 25 CO 0.62 -0.00 1.92 0.40 0.00 0.00 0.00 175.10 178.03 1xsf h ILE 26 N 5.13 0.93 -0.34 2.22 1.08 -2.01 0.45 117.51 124.97 1xsf h ILE 26 Ca -0.30 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 63.93 1xsf h ILE 26 Cb 1.14 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 1xsf h ILE 26 CO 0.86 0.13 0.00 0.47 -0.69 0.00 0.00 178.15 178.92 1xsf n ASP 27 N -4.51 3.23 0.00 1.72 8.00 -1.26 -4.04 116.55 119.69 1xsf n ASP 27 Ca 0.14 -1.93 0.10 0.00 0.71 0.00 0.00 54.79 53.80 1xsf n ASP 27 Cb 0.35 -0.22 0.57 0.00 -0.02 0.00 0.00 41.12 41.80 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 1.28 -0.67 0.21 0.44 0.00 0.15 -1.80 105.19 104.80 1xsf n GLY 28 Ca 0.17 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 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 0.86 0.00 1.61 0.02 -1.73 0.44 113.55 114.76 1xsf h SER 29 Ca 0.00 -0.65 -0.16 0.00 -0.84 0.00 0.00 61.79 60.14 1xsf h SER 29 Cb 0.03 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1xsf h SER 29 CO 0.00 1.37 -0.53 0.40 -1.14 0.00 0.00 176.83 176.94 1xsf h ILE 30 N 0.41 1.32 -0.13 3.27 1.08 -1.56 -1.44 117.51 120.45 1xsf h ILE 30 Ca -0.06 -1.77 -0.18 0.00 -0.39 0.00 0.00 64.86 62.47 1xsf h ILE 30 Cb 1.38 1.74 -0.00 0.00 -3.07 0.00 0.00 36.82 36.86 1xsf h ILE 30 CO 0.15 0.55 -0.64 -0.50 -0.69 0.00 0.00 178.15 177.02 1xsf h TRP 31 N 0.44 0.66 -0.18 1.37 -0.00 -1.43 -0.29 115.95 116.52 1xsf h TRP 31 Ca 0.01 -0.26 -0.15 0.00 -0.00 0.00 0.00 58.89 58.49 1xsf h TRP 31 Cb 1.07 -0.11 -0.01 0.00 -0.00 0.00 0.00 29.16 30.11 1xsf h TRP 31 CO 0.05 1.01 -0.53 0.22 -0.00 0.00 0.00 178.44 179.18 1xsf h ASP 32 N 0.37 0.59 -0.11 -3.49 3.58 -0.03 0.12 116.42 117.45 1xsf h ASP 32 Ca -0.01 -0.31 -0.15 0.00 0.42 0.00 0.00 57.03 56.98 1xsf h ASP 32 Cb 1.21 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.08 1xsf h ASP 32 CO 0.12 1.01 -0.47 0.00 -2.88 0.00 0.00 179.24 177.01 1xsf h ALA 33 N 1.01 0.70 -0.17 -0.78 0.00 -1.07 0.20 119.26 119.15 1xsf h ALA 33 Ca 0.01 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1xsf h ALA 33 Cb 1.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1xsf h ALA 33 CO 0.10 0.67 -0.03 0.82 0.00 0.00 0.00 179.25 180.81 1xsf h ILE 34 N 0.53 1.28 -0.87 0.00 2.04 -0.93 -1.91 117.51 117.64 1xsf h ILE 34 Ca 0.03 -0.96 0.05 0.00 1.00 0.00 0.00 64.86 64.99 1xsf h ILE 34 Cb 1.02 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 38.61 1xsf h ILE 34 CO 0.10 0.29 0.57 0.00 0.00 0.00 0.00 178.15 179.10 1xsf h ALA 35 N 0.74 1.51 0.00 1.87 0.00 -0.67 0.12 119.26 122.83 1xsf h ALA 35 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xsf h ALA 35 Cb 0.45 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1xsf h ALA 35 CO 0.01 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.05 1xsf n GLY 36 N -1.40 -1.32 0.09 0.00 0.00 0.70 -0.14 105.19 103.11 1xsf n GLY 36 Ca 0.12 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.00 0.00 0.00 0.00 5.08 -1.06 -3.33 114.58 114.26 1xsf h GLU 38 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1xsf h GLU 38 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1xsf h GLU 38 CO -0.03 0.16 -0.90 0.00 -1.00 0.00 0.00 179.01 177.24 1xsf n ALA 39 N -2.28 3.62 -1.04 3.43 0.00 -0.56 -4.95 120.51 118.73 1xsf n ALA 39 Ca -0.04 -0.40 -0.01 0.00 0.00 0.00 0.00 53.44 52.99 1xsf n ALA 39 Cb 0.69 -0.53 -0.01 0.00 0.00 0.00 0.00 19.45 19.61 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 1.41 0.51 2.03 0.00 0.00 -0.70 -3.42 105.19 105.01 1xsf n GLY 40 Ca 0.02 -0.59 -0.05 0.00 0.00 0.00 0.00 46.02 45.39 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 0.19 2.53 -0.02 0.00 0.81 -4.84 105.19 101.17 1xsf n GLY 41 Ca -0.01 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.23 3.41 0.00 1.61 3.04 -1.22 -4.95 114.94 113.59 1xsf s ASN 42 Ca 0.11 -1.40 0.24 0.00 0.04 0.00 0.00 52.86 51.85 1xsf s ASN 42 Cb -0.01 -0.33 1.22 0.00 -1.54 0.00 0.00 41.25 40.59 1xsf s ASN 42 CO 0.26 -0.42 1.81 0.79 -3.04 0.00 0.00 177.10 176.50 1xsf n TRP 43 N 5.08 0.05 0.34 0.43 7.02 -1.26 -0.82 117.44 128.27 1xsf n TRP 43 Ca -0.03 -0.02 0.05 0.00 -1.02 0.00 0.00 57.50 56.48 1xsf n TRP 43 Cb 0.41 0.00 0.06 0.00 -2.42 0.00 0.00 31.31 29.37 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 -0.41 2.43 -1.77 6.99 0.00 -1.26 -3.98 120.51 122.51 1xsf n ALA 44 Ca 0.18 -0.68 -0.39 0.00 0.00 0.00 0.00 53.44 52.55 1xsf n ALA 44 Cb 0.19 -0.37 -0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 -0.91 2.76 -0.30 0.00 2.07 -1.06 -4.77 121.20 118.99 1xsf s ILE 45 Ca 0.14 0.64 0.02 0.00 -1.41 0.00 0.00 60.65 60.05 1xsf s ILE 45 Cb 0.09 -3.36 0.16 0.00 0.13 0.00 0.00 42.46 39.48 1xsf s ILE 45 CO 0.14 0.06 0.42 0.21 -1.91 0.00 0.00 174.94 173.85 1xsf s ASN 46 N -0.94 0.39 0.46 4.50 3.84 -1.26 0.05 114.94 121.97 1xsf s ASN 46 Ca 0.59 -0.52 0.26 0.00 0.21 0.00 0.00 52.86 53.40 1xsf s ASN 46 Cb -0.35 1.09 0.73 0.00 -0.55 0.00 0.00 41.25 42.17 1xsf s ASN 46 CO 0.44 -0.34 1.75 0.71 -2.79 0.00 0.00 177.10 176.87 1xsf h THR 47 N 6.01 0.21 0.00 -5.21 1.35 -1.95 -3.47 112.91 109.85 1xsf h THR 47 Ca -0.07 -1.02 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 1xsf h THR 47 Cb 1.12 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 1xsf h THR 47 CO 0.25 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 176.23 1xsf n GLY 48 N 0.61 0.73 0.89 5.82 0.00 -1.26 -4.95 105.19 107.02 1xsf n GLY 48 Ca 0.02 -0.42 0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 0.76 2.66 0.00 1.61 6.94 -1.26 -4.89 115.26 121.09 1xsf n ASN 49 Ca 0.00 -1.87 0.00 0.00 -0.02 0.00 0.00 54.58 52.69 1xsf n ASN 49 Cb 0.00 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.25 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 1.34 0.67 3.54 4.83 0.00 -1.26 -5.02 105.19 109.28 1xsf n GLY 50 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.27 2.76 0.40 1.61 1.51 -1.26 -0.09 117.35 120.01 1xsf s TYR 51 Ca 0.00 -0.12 0.08 0.00 -1.01 0.00 0.00 57.07 56.01 1xsf s TYR 51 Cb 0.00 -1.55 -0.07 0.00 -0.11 0.00 0.00 41.96 40.23 1xsf s TYR 51 CO 0.00 0.33 0.06 0.71 -1.11 0.00 0.00 175.55 175.54 1xsf s TYR 52 N -0.97 2.55 0.85 2.71 2.02 -0.27 -4.48 117.35 119.75 1xsf s TYR 52 Ca 0.16 -0.60 -0.11 0.00 -0.37 0.00 0.00 57.07 56.15 1xsf s TYR 52 Cb -0.11 -1.78 0.11 0.00 -0.40 0.00 0.00 41.96 39.78 1xsf s TYR 52 CO 0.07 0.37 1.14 0.20 -1.57 0.00 0.00 175.55 175.76 1xsf s GLY 53 N -3.77 1.79 0.00 0.71 0.00 0.11 -2.19 107.32 103.97 1xsf s GLY 53 Ca 0.37 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.66 1xsf s GLY 53 CO 0.20 0.97 0.00 0.61 0.00 0.00 0.00 173.10 174.87 1xsf n GLY 54 N -0.08 0.96 0.60 0.20 0.00 -0.00 -4.11 105.19 102.76 1xsf n GLY 54 Ca 0.11 -0.84 0.13 0.00 0.00 0.00 0.00 46.02 45.42 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 0.05 -3.45 1.61 0.31 -1.26 -4.00 118.33 111.59 1xsf n VAL 55 Ca 0.00 -0.32 -0.17 0.00 -0.01 0.00 0.00 64.34 63.83 1xsf n VAL 55 Cb 0.00 0.67 0.08 0.00 -0.91 0.00 0.00 33.84 33.69 1xsf n VAL 55 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xsf n GLN 56 N 0.45 -6.33 -4.63 5.55 1.13 -0.93 -4.89 117.38 107.73 1xsf n GLN 56 Ca 0.18 0.83 -0.28 0.00 -1.94 0.00 0.00 57.00 55.79 1xsf n GLN 56 Cb 0.40 -5.81 -0.10 0.00 0.11 0.00 0.00 30.24 24.84 1xsf n GLN 56 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1xsf s PHE 57 N -3.39 2.35 0.55 1.08 -0.71 -1.23 -4.69 117.98 111.94 1xsf s PHE 57 Ca 0.02 -0.75 -0.10 0.00 -1.04 0.00 0.00 56.93 55.05 1xsf s PHE 57 Cb -0.00 -1.70 -0.05 0.00 -1.21 0.00 0.00 43.02 40.06 1xsf s PHE 57 CO 0.74 0.36 0.94 0.16 -1.34 0.00 0.00 175.22 176.08 1xsf s ASP 58 N -3.71 6.33 0.27 1.98 -4.77 -1.26 -1.11 116.67 114.39 1xsf s ASP 58 Ca 0.30 1.30 -0.03 0.00 -3.30 0.00 0.00 52.55 50.82 1xsf s ASP 58 Cb 0.08 -2.41 0.40 0.00 -1.09 0.00 0.00 42.92 39.90 1xsf s ASP 58 CO 0.15 -0.71 1.90 -0.61 0.70 0.00 0.00 175.17 176.60 1xsf h GLN 59 N 0.16 1.16 -0.03 2.11 5.75 -0.88 -0.69 115.11 122.70 1xsf h GLN 59 Ca -0.45 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 57.97 1xsf h GLN 59 Cb 1.19 -0.26 -0.00 0.00 1.07 0.00 0.00 27.48 29.48 1xsf h GLN 59 CO 0.62 0.77 -0.01 0.78 -2.65 0.00 0.00 178.83 178.34 1xsf h GLY 60 N 1.20 0.06 1.03 2.39 0.00 -1.93 0.27 103.07 106.08 1xsf h GLY 60 Ca 0.42 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.66 1xsf h GLY 60 CO -0.15 0.05 0.32 -0.84 0.00 0.00 0.00 176.54 175.92 1xsf h THR 61 N -0.30 1.25 -0.14 4.70 2.02 -1.94 0.36 112.91 118.86 1xsf h THR 61 Ca 0.01 -0.74 0.03 0.00 0.77 0.00 0.00 66.41 66.47 1xsf h THR 61 Cb 0.39 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1xsf h THR 61 CO 0.00 0.31 -0.04 -0.25 0.37 0.00 0.00 175.52 175.91 1xsf h TRP 62 N 1.05 -0.09 -0.52 3.16 2.91 -0.95 -1.33 115.95 120.18 1xsf h TRP 62 Ca 0.25 0.01 -0.11 0.00 1.13 0.00 0.00 58.89 60.17 1xsf h TRP 62 Cb 0.17 0.06 -0.02 0.00 -0.51 0.00 0.00 29.16 28.87 1xsf h TRP 62 CO 0.01 -0.07 -0.12 1.49 -1.03 0.00 0.00 178.44 178.73 1xsf h GLU 63 N -0.01 0.98 -0.79 2.65 4.81 -0.08 0.41 114.58 122.54 1xsf h GLU 63 Ca 0.07 -0.36 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 1xsf h GLU 63 Cb 0.12 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 1xsf h GLU 63 CO -0.15 1.03 0.40 0.00 -0.73 0.00 0.00 179.01 179.56 1xsf h ALA 64 N 0.99 1.02 -0.00 2.92 0.00 0.12 -0.54 119.26 123.77 1xsf h ALA 64 Ca 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xsf h ALA 64 Cb 0.67 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xsf h ALA 64 CO 0.05 0.57 -0.11 0.09 0.00 0.00 0.00 179.25 179.84 1xsf n ASN 65 N -4.38 0.12 -0.30 0.00 5.03 -0.54 -4.93 115.26 110.27 1xsf n ASN 65 Ca 0.07 0.27 0.00 0.00 0.87 0.00 0.00 54.58 55.80 1xsf n ASN 65 Cb 0.12 -0.32 0.00 0.00 -1.02 0.00 0.00 39.78 38.57 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 1.48 0.60 0.17 7.41 0.00 -0.21 -4.97 105.19 109.67 1xsf n GLY 66 Ca 0.07 -0.18 0.06 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.38 -3.32 103.07 101.35 1xsf h GLY 67 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1xsf h GLY 67 CO 0.00 0.00 -0.03 1.41 0.00 0.00 0.00 176.54 177.92 1xsf h LEU 68 N 0.00 0.00 -1.03 3.11 4.07 -1.78 0.35 115.31 120.03 1xsf h LEU 68 Ca -0.00 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.86 1xsf h LEU 68 Cb 1.23 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.95 1xsf h LEU 68 CO 0.04 0.03 -0.44 0.08 -1.08 0.00 0.00 178.44 177.07 1xsf h ARG 69 N 0.00 0.09 0.12 1.13 0.11 -1.97 -2.46 114.38 111.40 1xsf h ARG 69 Ca -0.00 -0.05 -0.27 0.00 0.10 0.00 0.00 59.98 59.77 1xsf h ARG 69 Cb 0.10 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.18 1xsf h ARG 69 CO 0.00 0.52 -1.21 1.88 0.10 0.00 0.00 179.97 181.26 1xsf h TYR 70 N 0.08 0.48 0.00 4.08 0.05 -0.66 -3.48 116.97 117.53 1xsf h TYR 70 Ca 0.00 -0.34 0.00 0.00 0.05 0.00 0.00 58.73 58.44 1xsf h TYR 70 Cb 0.81 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.53 1xsf h TYR 70 CO 0.01 1.26 0.00 0.00 -1.05 0.00 0.00 178.16 178.38 1xsf n ALA 71 N -2.53 0.00 0.00 3.88 0.00 0.16 -4.57 120.51 117.45 1xsf n ALA 71 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1xsf n ALA 71 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.46 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 -3.76 0.00 -0.02 -1.14 -3.53 135.00 126.56 1xsf n PRO 72 Ca 0.00 0.25 -0.13 0.00 -2.02 0.00 0.00 63.50 61.60 1xsf n PRO 72 Cb 0.00 -1.59 -0.10 0.00 -0.02 0.00 0.00 33.50 31.79 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 -2.41 0.48 0.60 -0.52 1.70 -1.26 -4.76 118.95 112.77 1xsf s ARG 73 Ca 0.00 0.29 0.34 0.00 -0.47 0.00 0.00 55.73 55.89 1xsf s ARG 73 Cb 0.00 0.22 1.94 0.00 -0.57 0.00 0.00 34.95 36.54 1xsf s ARG 73 CO 0.00 -0.09 2.26 0.00 -1.08 0.00 0.00 175.30 176.39 1xsf h ALA 74 N 5.12 1.32 -0.01 7.88 0.00 -1.86 0.32 119.26 132.03 1xsf h ALA 74 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 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 0.32 0.02 -0.02 -0.40 0.00 0.00 0.00 179.25 179.17 1xsf n ASP 75 N -3.57 1.18 -0.08 0.00 5.75 -1.26 -3.24 116.55 115.34 1xsf n ASP 75 Ca -0.03 -1.34 -0.09 0.00 -0.01 0.00 0.00 54.79 53.33 1xsf n ASP 75 Cb 0.11 0.01 -0.13 0.00 -1.03 0.00 0.00 41.12 40.08 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 -0.12 0.33 -4.87 -2.12 7.94 0.02 -4.62 117.00 113.56 1xsf n LEU 76 Ca 0.19 -0.01 -0.31 0.00 -1.11 0.00 0.00 56.01 54.77 1xsf n LEU 76 Cb 0.31 0.28 0.03 0.00 0.53 0.00 0.00 43.42 44.57 1xsf n LEU 76 CO 0.18 0.46 0.73 0.00 -1.11 0.00 0.00 177.39 177.65 1xsf s ALA 77 N -2.40 2.99 0.30 1.96 0.00 -0.70 -4.93 121.76 118.98 1xsf s ALA 77 Ca -0.10 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 51.71 1xsf s ALA 77 Cb 0.05 -3.06 0.05 0.00 0.00 0.00 0.00 23.12 20.16 1xsf s ALA 77 CO 0.65 -0.91 0.40 0.25 0.00 0.00 0.00 175.76 176.15 1xsf n THR 78 N -2.88 0.00 -0.01 0.00 -2.24 -1.26 -4.80 114.28 103.08 1xsf n THR 78 Ca 0.06 -1.01 -0.10 0.00 -2.27 0.00 0.00 64.05 60.73 1xsf n THR 78 Cb 0.55 -0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 68.03 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 -0.38 -0.73 -0.78 3.08 -1.96 0.22 114.38 113.83 1xsf h ARG 79 Ca -0.14 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1xsf h ARG 79 Cb 0.65 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 1xsf h ARG 79 CO 0.21 -0.25 0.39 1.05 -1.07 0.00 0.00 179.97 180.29 1xsf h GLU 80 N -0.39 1.02 0.17 0.04 4.11 -1.97 0.37 114.58 117.93 1xsf h GLU 80 Ca 0.10 -0.13 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 1xsf h GLU 80 Cb 0.56 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1xsf h GLU 80 CO -0.38 0.77 -0.08 0.93 0.07 0.00 0.00 179.01 180.32 1xsf h GLU 81 N 1.01 -0.21 -0.07 1.06 3.07 -1.85 -2.21 114.58 115.37 1xsf h GLU 81 Ca 0.26 0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 59.04 1xsf h GLU 81 Cb 0.05 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 1xsf h GLU 81 CO -0.04 0.02 -0.38 0.37 -1.40 0.00 0.00 179.01 177.59 1xsf h GLN 82 N -0.43 0.14 -0.55 2.33 4.15 -0.24 -1.53 115.11 118.97 1xsf h GLN 82 Ca -0.02 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.35 1xsf h GLN 82 Cb 0.34 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.99 1xsf h GLN 82 CO 0.04 0.50 0.36 0.82 -1.93 0.00 0.00 178.83 178.62 1xsf h ILE 83 N 0.12 1.13 -0.75 2.39 2.04 -0.22 -0.38 117.51 121.84 1xsf h ILE 83 Ca 0.01 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 1xsf h ILE 83 Cb 0.73 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1xsf h ILE 83 CO 0.05 0.14 0.30 0.00 0.00 0.00 0.00 178.15 178.64 1xsf h ALA 84 N 1.21 0.98 -0.09 1.87 0.00 -0.64 0.67 119.26 123.27 1xsf h ALA 84 Ca 0.21 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1xsf h ALA 84 Cb -0.07 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 1xsf h ALA 84 CO -0.05 0.60 -0.06 0.28 0.00 0.00 0.00 179.25 180.02 1xsf h VAL 85 N 1.09 1.34 -0.33 0.00 2.07 -1.31 -2.48 116.25 116.63 1xsf h VAL 85 Ca 0.25 -1.14 0.08 0.00 0.82 0.00 0.00 66.70 66.72 1xsf h VAL 85 Cb 0.21 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1xsf h VAL 85 CO -0.02 0.32 0.23 0.00 0.02 0.00 0.00 177.57 178.12 1xsf h ALA 86 N 0.60 2.24 -0.53 1.67 0.00 -0.73 -2.10 119.26 120.42 1xsf h ALA 86 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xsf h ALA 86 Cb 0.54 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1xsf h ALA 86 CO 0.02 -0.33 0.33 0.93 0.00 0.00 0.00 179.25 180.20 1xsf h GLU 87 N 0.05 0.71 -0.44 0.00 4.39 0.80 0.33 114.58 120.42 1xsf h GLU 87 Ca 0.15 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 1xsf h GLU 87 Cb 0.55 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1xsf h GLU 87 CO -0.01 0.50 0.22 0.28 -1.16 0.00 0.00 179.01 178.83 1xsf h VAL 88 N 0.72 1.18 -0.20 3.13 2.07 -1.13 -2.45 116.25 119.56 1xsf h VAL 88 Ca 0.19 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1xsf h VAL 88 Cb -0.04 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1xsf h VAL 88 CO -0.04 0.19 0.10 0.74 0.02 0.00 0.00 177.57 178.59 1xsf h THR 89 N 0.57 1.12 -0.23 2.57 2.02 -1.23 -2.96 112.91 114.77 1xsf h THR 89 Ca 0.15 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 1xsf h THR 89 Cb 0.11 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1xsf h THR 89 CO -0.02 0.11 0.05 0.08 0.37 0.00 0.00 175.52 176.11 1xsf h ARG 90 N 0.20 0.33 -0.37 6.66 0.11 -0.19 -1.97 114.38 119.17 1xsf h ARG 90 Ca 0.07 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.09 1xsf h ARG 90 Cb 0.09 -0.06 -0.02 0.00 1.11 0.00 0.00 29.97 31.09 1xsf h ARG 90 CO -0.01 0.32 0.18 -0.07 0.10 0.00 0.00 179.97 180.50 1xsf h LEU 91 N 0.33 0.45 0.08 0.08 3.38 -1.26 0.20 115.31 118.56 1xsf h LEU 91 Ca 0.08 -0.03 -0.25 0.00 0.09 0.00 0.00 57.88 57.77 1xsf h LEU 91 Cb 0.15 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1xsf h LEU 91 CO -0.00 0.38 -1.31 0.03 0.09 0.00 0.00 178.44 177.63 1xsf h ARG 92 N 0.51 0.17 0.00 1.13 3.08 -1.41 -3.39 114.38 114.46 1xsf h ARG 92 Ca 0.13 -0.29 -0.05 0.00 0.07 0.00 0.00 59.98 59.84 1xsf h ARG 92 Cb 0.04 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1xsf h ARG 92 CO -0.02 1.14 -2.01 0.00 -1.07 0.00 0.00 179.97 178.01 1xsf n GLN 93 N -4.06 0.66 -2.09 0.04 0.00 -1.06 -5.01 117.38 105.87 1xsf n GLN 93 Ca -0.26 -0.16 0.00 0.00 0.00 0.00 0.00 57.00 56.58 1xsf n GLN 93 Cb 0.83 -1.53 0.00 0.00 0.00 0.00 0.00 30.24 29.53 1xsf n GLN 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xsf n GLY 94 N 1.32 0.93 2.64 2.61 0.00 0.68 -3.21 105.19 110.15 1xsf n GLY 94 Ca -0.08 -0.60 -0.01 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.30 0.00 0.00 1.61 7.02 -1.24 -4.72 117.44 117.82 1xsf n TRP 95 Ca 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.42 1xsf n TRP 95 Cb 0.43 -1.46 0.14 0.00 -2.42 0.00 0.00 31.31 28.00 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 0.56 2.00 6.99 0.00 -1.90 -2.90 103.07 107.82 1xsf h GLY 96 Ca -0.03 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 1xsf h GLY 96 CO 0.04 0.47 -0.33 0.00 0.00 0.00 0.00 176.54 176.73 1xsf h ALA 97 N 1.19 1.42 -2.15 3.60 0.00 -1.89 -3.38 119.26 118.04 1xsf h ALA 97 Ca 0.05 -0.30 -0.66 0.00 0.00 0.00 0.00 54.91 53.99 1xsf h ALA 97 Cb 0.82 -0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.39 1xsf h ALA 97 CO 0.07 0.41 0.09 -1.58 0.00 0.00 0.00 179.25 178.24 1xsf s TRP 98 N -4.25 3.05 0.00 0.00 0.51 -1.10 -5.04 118.94 112.12 1xsf s TRP 98 Ca -0.03 -0.23 0.00 0.00 -2.12 0.00 0.00 56.10 53.72 1xsf s TRP 98 Cb 0.14 -3.40 0.00 0.00 -0.81 0.00 0.00 33.47 29.40 1xsf s TRP 98 CO 0.71 -0.93 0.00 -2.30 -0.51 0.00 0.00 176.95 173.92 1xsf n PRO 99 N 6.24 0.41 0.06 4.98 -0.02 -1.26 -3.95 135.00 141.47 1xsf n PRO 99 Ca -0.03 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.63 1xsf n PRO 99 Cb 0.47 0.00 0.70 0.00 -0.02 0.00 0.00 33.50 34.65 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 0.74 -0.09 -1.45 2.07 -1.96 -1.58 116.25 113.97 1xsf h VAL 100 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 1xsf h VAL 100 Cb 0.00 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1xsf h VAL 100 CO 0.00 0.00 -0.38 0.00 0.02 0.00 0.00 177.57 177.21 1xsf h ALA 102 N 1.44 0.34 -0.86 0.00 0.00 -1.41 -0.84 119.26 117.92 1xsf h ALA 102 Ca 0.02 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1xsf h ALA 102 Cb 0.76 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1xsf h ALA 102 CO 0.06 0.34 0.44 0.00 0.00 0.00 0.00 179.25 180.09 1xsf h ALA 103 N 0.64 1.11 0.00 0.00 0.00 -1.39 -0.62 119.26 119.00 1xsf h ALA 103 Ca 0.03 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1xsf h ALA 103 Cb 0.86 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1xsf h ALA 103 CO 0.07 0.65 -0.26 0.00 0.00 0.00 0.00 179.25 179.70 1xsf h ARG 104 N 1.21 0.00 0.00 0.00 2.47 -0.77 -2.97 114.38 114.32 1xsf h ARG 104 Ca 0.30 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.98 1xsf h ARG 104 Cb 0.08 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 1xsf h ARG 104 CO -0.04 0.26 -0.48 0.00 0.56 0.00 0.00 179.97 180.27 1xsf h ALA 105 N 1.74 0.78 0.00 0.04 0.00 -0.03 -3.48 119.26 118.31 1xsf h ALA 105 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xsf h ALA 105 Cb 0.66 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1xsf h ALA 105 CO 0.03 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.91 1xsf n GLY 106 N 1.17 0.72 3.68 0.00 0.00 -0.57 -4.41 105.19 105.79 1xsf n GLY 106 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1xsf n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsf n ALA 107 N 0.00 0.75 -1.10 4.61 0.00 -0.35 -4.96 120.51 119.47 1xsf n ALA 107 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1xsf n ALA 107 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.22 1xsf n ALA 107 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39