#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 0.00 -1.45 2.41 3.04 -2.14 -3.43 116.25 114.68 1xsf h VAL 2 Ca 0.00 -0.56 -0.39 0.00 -1.01 0.00 0.00 66.70 64.73 1xsf h VAL 2 Cb 0.00 1.47 -0.02 0.00 -2.01 0.00 0.00 31.29 30.72 1xsf h VAL 2 CO 0.00 0.00 1.16 0.54 -1.01 0.00 0.00 177.57 178.26 1xsf s VAL 3 N -3.14 3.24 -0.11 1.51 0.11 -1.26 -4.95 120.40 115.80 1xsf s VAL 3 Ca 0.09 0.02 -0.08 0.00 -2.93 0.00 0.00 61.98 59.07 1xsf s VAL 3 Cb 0.11 -3.60 -0.04 0.00 -1.53 0.00 0.00 36.38 31.33 1xsf s VAL 3 CO 0.64 -0.57 0.18 -0.69 -3.33 0.00 0.00 175.10 171.32 1xsf s VAL 4 N 10.80 5.44 -0.11 2.04 1.01 -1.26 -5.09 120.40 133.22 1xsf s VAL 4 Ca 0.79 0.30 0.01 0.00 0.00 0.00 0.00 61.98 63.07 1xsf s VAL 4 Cb -0.13 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 1xsf s VAL 4 CO 0.17 0.61 -0.13 0.42 0.00 0.00 0.00 175.10 176.16 1xsf s THR 5 N -0.99 3.08 0.84 3.92 -4.23 -1.26 -5.11 115.64 111.88 1xsf s THR 5 Ca 0.16 -0.66 -0.12 0.00 -1.18 0.00 0.00 61.69 59.89 1xsf s THR 5 Cb -0.13 -2.28 0.09 0.00 1.34 0.00 0.00 72.50 71.53 1xsf s THR 5 CO 0.05 0.54 1.11 -2.84 -0.54 0.00 0.00 174.62 172.94 1xsf s PRO 6 N 0.11 1.75 2.13 3.99 0.02 -1.26 -4.87 135.00 136.87 1xsf s PRO 6 Ca -0.06 0.55 0.00 0.00 0.02 0.00 0.00 61.00 61.51 1xsf s PRO 6 Cb -0.15 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.48 1xsf s PRO 6 CO 0.05 -1.83 0.00 0.00 -0.33 0.00 0.00 177.00 174.89 1xsf n ALA 7 N -3.56 0.00 -1.02 -1.55 0.00 -1.26 -4.84 120.51 108.28 1xsf n ALA 7 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.50 1xsf n ALA 7 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 -1.07 0.00 -1.08 0.00 -0.00 -1.26 -4.94 115.22 106.87 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 -1.64 0.12 0.00 -0.00 0.00 0.00 29.99 28.47 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 -1.67 1.73 -0.46 1.57 -1.05 -1.26 -5.03 118.70 112.54 1xsf s GLU 9 Ca 0.00 1.46 0.05 0.00 -0.15 0.00 0.00 54.97 56.33 1xsf s GLU 9 Cb 0.00 -1.81 0.18 0.00 -0.44 0.00 0.00 34.13 32.05 1xsf s GLU 9 CO 0.00 -2.08 0.53 0.00 0.95 0.00 0.00 175.26 174.65 1xsf s ALA 10 N -2.58 -0.43 0.47 -0.84 0.00 -1.26 -5.00 121.76 112.12 1xsf s ALA 10 Ca 0.66 -1.35 0.14 0.00 0.00 0.00 0.00 51.96 51.41 1xsf s ALA 10 Cb -0.22 -2.17 1.12 0.00 0.00 0.00 0.00 23.12 21.85 1xsf s ALA 10 CO 0.54 -2.11 2.08 -0.24 0.00 0.00 0.00 175.76 176.02 1xsf h VAL 11 N 4.84 0.99 -5.09 0.00 3.04 -2.04 -3.47 116.25 114.52 1xsf h VAL 11 Ca 0.15 -0.08 -0.17 0.00 -1.01 0.00 0.00 66.70 65.59 1xsf h VAL 11 Cb 1.02 0.73 0.01 0.00 -2.01 0.00 0.00 31.29 31.04 1xsf h VAL 11 CO 0.19 0.04 -0.81 0.55 -1.01 0.00 0.00 177.57 176.53 1xsf n VAL 12 N -4.49 -2.20 -3.02 1.51 3.14 -1.26 -4.86 118.33 107.15 1xsf n VAL 12 Ca 0.02 0.18 -0.42 0.00 -2.96 0.00 0.00 64.34 61.16 1xsf n VAL 12 Cb 0.18 -2.35 -0.06 0.00 -1.06 0.00 0.00 33.84 30.55 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 -1.32 3.60 0.32 1.45 0.52 -1.26 -5.03 118.95 117.23 1xsf s ARG 13 Ca 0.16 0.07 0.04 0.00 -0.52 0.00 0.00 55.73 55.48 1xsf s ARG 13 Cb -0.02 -3.85 -0.02 0.00 0.52 0.00 0.00 34.95 31.58 1xsf s ARG 13 CO 0.37 -0.90 0.48 0.08 0.02 0.00 0.00 175.30 175.35 1xsf s VAL 14 N 3.01 4.71 0.00 3.52 1.01 -1.26 -5.02 120.40 126.37 1xsf s VAL 14 Ca 0.28 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1xsf s VAL 14 Cb -0.13 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1xsf s VAL 14 CO 0.18 -0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.55 1xsf n GLY 15 N -1.67 1.82 0.09 4.51 0.00 -1.26 -5.05 105.19 103.63 1xsf n GLY 15 Ca -0.04 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 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 1.45 -3.49 2.61 2.02 -2.07 -3.41 112.91 110.01 1xsf h THR 16 Ca 0.00 -3.08 -0.70 0.00 0.77 0.00 0.00 66.41 63.40 1xsf h THR 16 Cb 0.00 2.85 -0.34 0.00 -1.74 0.00 0.00 68.15 68.92 1xsf h THR 16 CO 0.00 0.88 -0.49 -0.54 0.37 0.00 0.00 175.52 175.74 1xsf s LYS 17 N -2.66 2.17 0.76 6.66 3.01 -1.26 -5.08 119.74 123.34 1xsf s LYS 17 Ca -0.04 -2.00 -0.06 0.00 -1.01 0.00 0.00 55.97 52.86 1xsf s LYS 17 Cb 0.08 -3.64 0.11 0.00 -1.01 0.00 0.00 37.83 33.37 1xsf s LYS 17 CO 0.86 -1.11 1.06 -1.25 0.51 0.00 0.00 175.35 175.42 1xsf s PRO 18 N 0.84 1.69 0.00 -1.68 0.05 -1.26 -4.65 135.00 129.99 1xsf s PRO 18 Ca 0.10 -0.61 0.00 0.00 0.05 0.00 0.00 61.00 60.54 1xsf s PRO 18 Cb -0.22 -2.17 0.00 0.00 0.05 0.00 0.00 34.50 32.16 1xsf s PRO 18 CO -0.04 -1.54 0.00 0.41 0.05 0.00 0.00 177.00 175.88 1xsf n GLY 19 N -3.05 1.00 0.16 0.56 0.00 -1.26 -4.95 105.19 97.65 1xsf n GLY 19 Ca 0.12 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 1.36 -3.81 2.61 2.02 -2.05 -3.43 112.91 109.60 1xsf h THR 20 Ca 0.00 -1.72 -0.25 0.00 0.77 0.00 0.00 66.41 65.21 1xsf h THR 20 Cb 0.61 1.92 -0.27 0.00 -1.74 0.00 0.00 68.15 68.67 1xsf h THR 20 CO 0.00 0.49 -0.73 -1.61 0.37 0.00 0.00 175.52 174.05 1xsf s GLU 21 N -3.89 0.15 -0.03 6.66 2.02 -1.26 -5.12 118.70 117.22 1xsf s GLU 21 Ca -0.02 -0.14 -0.30 0.00 0.02 0.00 0.00 54.97 54.53 1xsf s GLU 21 Cb 0.13 -0.09 -0.04 0.00 0.10 0.00 0.00 34.13 34.23 1xsf s GLU 21 CO 0.75 0.02 1.29 0.08 0.02 0.00 0.00 175.26 177.42 1xsf s VAL 22 N -0.24 4.01 0.14 2.63 1.01 -1.26 -4.93 120.40 121.75 1xsf s VAL 22 Ca -0.02 1.36 -0.35 0.00 0.00 0.00 0.00 61.98 62.98 1xsf s VAL 22 Cb -0.02 -3.88 -0.15 0.00 0.00 0.00 0.00 36.38 32.34 1xsf s VAL 22 CO -0.00 -0.01 1.51 -2.65 0.00 0.00 0.00 175.10 173.95 1xsf n PRO 23 N 5.33 1.86 -1.68 2.72 -0.02 -1.26 -4.88 135.00 137.07 1xsf n PRO 23 Ca 0.12 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.85 1xsf n PRO 23 Cb 0.45 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 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 3.19 1.90 -3.15 0.52 -0.04 -1.26 -4.96 135.00 131.20 1xsf n PRO 24 Ca 0.17 0.67 -0.39 0.00 -0.04 0.00 0.00 63.50 63.91 1xsf n PRO 24 Cb 0.26 -2.26 -0.05 0.00 -0.04 0.00 0.00 33.50 31.41 1xsf n PRO 24 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1xsf s VAL 25 N -1.14 5.08 -0.10 0.52 0.11 -1.26 -4.96 120.40 118.65 1xsf s VAL 25 Ca 0.58 1.20 0.14 0.00 -2.93 0.00 0.00 61.98 60.98 1xsf s VAL 25 Cb -0.56 -3.94 -0.05 0.00 -1.53 0.00 0.00 36.38 30.30 1xsf s VAL 25 CO 0.60 0.23 1.19 0.40 -3.33 0.00 0.00 175.10 174.19 1xsf h ILE 26 N 4.89 0.86 -0.24 7.04 1.08 -2.04 -3.34 117.51 125.76 1xsf h ILE 26 Ca -0.38 -2.33 0.00 0.00 -0.39 0.00 0.00 64.86 61.76 1xsf h ILE 26 Cb 1.17 2.36 0.00 0.00 -3.07 0.00 0.00 36.82 37.28 1xsf h ILE 26 CO 0.76 0.49 0.00 0.47 -0.69 0.00 0.00 178.15 179.18 1xsf n ASP 27 N -3.13 2.61 0.00 1.72 9.92 -1.26 -4.39 116.55 122.02 1xsf n ASP 27 Ca -0.03 -1.81 0.10 0.00 -0.53 0.00 0.00 54.79 52.52 1xsf n ASP 27 Cb 0.81 -0.16 0.58 0.00 -0.64 0.00 0.00 41.12 41.72 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 0.60 -0.99 0.17 0.44 0.00 -1.25 -1.96 105.19 102.20 1xsf n GLY 28 Ca 0.10 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 1xsf n GLY 28 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1xsf h SER 29 N 0.00 0.80 0.00 1.61 0.87 -1.84 0.45 113.55 115.44 1xsf h SER 29 Ca 0.00 -0.70 -0.17 0.00 -1.23 0.00 0.00 61.79 59.69 1xsf h SER 29 Cb 0.00 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.71 1xsf h SER 29 CO 0.00 1.51 -0.57 0.40 -0.53 0.00 0.00 176.83 177.64 1xsf h ILE 30 N 0.29 1.32 -0.04 2.23 1.08 -1.56 0.24 117.51 121.07 1xsf h ILE 30 Ca -0.15 -1.82 -0.23 0.00 -0.39 0.00 0.00 64.86 62.26 1xsf h ILE 30 Cb 1.80 1.79 0.01 0.00 -3.07 0.00 0.00 36.82 37.35 1xsf h ILE 30 CO 0.21 0.57 -0.91 -0.50 -0.69 0.00 0.00 178.15 176.83 1xsf h TRP 31 N 0.45 0.84 0.05 1.37 -0.00 -1.50 -0.72 115.95 116.45 1xsf h TRP 31 Ca 0.00 -0.43 -0.23 0.00 -0.00 0.00 0.00 58.89 58.23 1xsf h TRP 31 Cb 1.13 -0.11 -0.01 0.00 -0.00 0.00 0.00 29.16 30.17 1xsf h TRP 31 CO 0.05 1.25 -1.05 0.22 -0.00 0.00 0.00 178.44 178.91 1xsf h ASP 32 N 0.36 0.29 -0.18 -3.49 3.58 -0.07 -0.90 116.42 116.01 1xsf h ASP 32 Ca -0.08 -0.28 -0.12 0.00 0.42 0.00 0.00 57.03 56.96 1xsf h ASP 32 Cb 1.54 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.49 1xsf h ASP 32 CO 0.17 1.16 -0.31 0.00 -2.88 0.00 0.00 179.24 177.39 1xsf h ALA 33 N 0.80 0.87 -0.22 -0.78 0.00 -0.48 0.26 119.26 119.70 1xsf h ALA 33 Ca -0.08 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 1xsf h ALA 33 Cb 1.75 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1xsf h ALA 33 CO 0.16 0.63 -0.02 0.82 0.00 0.00 0.00 179.25 180.85 1xsf h ILE 34 N 0.57 1.27 -0.57 0.00 2.04 -1.12 -0.37 117.51 119.33 1xsf h ILE 34 Ca 0.07 -0.94 0.05 0.00 1.00 0.00 0.00 64.86 65.04 1xsf h ILE 34 Cb 0.81 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 1xsf h ILE 34 CO 0.07 0.29 0.38 0.00 0.00 0.00 0.00 178.15 178.89 1xsf h ALA 35 N 0.78 1.81 0.00 1.87 0.00 -0.97 0.25 119.26 123.00 1xsf h ALA 35 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xsf h ALA 35 Cb 0.44 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1xsf h ALA 35 CO 0.01 0.11 -0.03 0.41 0.00 0.00 0.00 179.25 179.76 1xsf n GLY 36 N -1.48 -1.54 0.13 0.00 0.00 0.88 -0.46 105.19 102.72 1xsf n GLY 36 Ca 0.08 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 0.06 -0.00 0.00 5.08 -0.78 -3.35 114.58 114.59 1xsf h GLU 38 Ca -0.59 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 57.67 1xsf h GLU 38 Cb 1.51 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.80 1xsf h GLU 38 CO -0.36 0.72 -0.77 0.00 -1.00 0.00 0.00 179.01 177.60 1xsf n ALA 39 N -2.59 4.18 -1.00 3.43 0.00 -0.84 -4.94 120.51 118.75 1xsf n ALA 39 Ca -0.16 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1xsf n ALA 39 Cb 1.03 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 1.40 0.45 1.03 0.00 0.00 -1.01 -3.52 105.19 103.54 1xsf n GLY 40 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.59 0.88 2.47 -0.02 0.00 0.40 -4.82 105.19 101.52 1xsf n GLY 41 Ca 0.00 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.68 2.75 0.00 1.61 2.47 -1.23 -4.95 114.94 112.91 1xsf s ASN 42 Ca 0.00 -2.21 0.23 0.00 0.42 0.00 0.00 52.86 51.29 1xsf s ASN 42 Cb 0.00 -0.34 1.05 0.00 -1.45 0.00 0.00 41.25 40.51 1xsf s ASN 42 CO 0.00 -0.30 1.73 0.79 -3.72 0.00 0.00 177.10 175.60 1xsf n TRP 43 N 3.97 0.00 -0.24 0.43 7.02 -1.26 -1.62 117.44 125.74 1xsf n TRP 43 Ca 0.13 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.70 1xsf n TRP 43 Cb 0.38 -0.39 0.24 0.00 -2.42 0.00 0.00 31.31 29.12 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 -1.39 2.30 -1.77 6.99 0.00 -1.26 -3.39 120.51 121.99 1xsf n ALA 44 Ca 0.08 -1.21 -0.38 0.00 0.00 0.00 0.00 53.44 51.93 1xsf n ALA 44 Cb 0.22 -0.71 -0.04 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.03 3.57 -0.39 0.00 2.07 -0.89 -4.79 121.20 119.74 1xsf s ILE 45 Ca 0.37 1.37 0.04 0.00 -1.41 0.00 0.00 60.65 61.02 1xsf s ILE 45 Cb 0.20 -3.79 0.16 0.00 0.13 0.00 0.00 42.46 39.16 1xsf s ILE 45 CO 0.26 0.17 0.41 0.21 -1.91 0.00 0.00 174.94 174.08 1xsf s ASN 46 N -1.23 0.91 0.43 4.50 3.84 -1.26 0.08 114.94 122.20 1xsf s ASN 46 Ca 0.52 -1.77 0.23 0.00 0.21 0.00 0.00 52.86 52.05 1xsf s ASN 46 Cb -0.27 0.59 0.82 0.00 -0.55 0.00 0.00 41.25 41.84 1xsf s ASN 46 CO 0.34 -0.23 1.79 0.71 -2.79 0.00 0.00 177.10 176.92 1xsf h THR 47 N 4.97 0.57 0.00 -5.21 1.35 -1.96 -3.47 112.91 109.17 1xsf h THR 47 Ca 0.08 -1.22 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 1xsf h THR 47 Cb 1.05 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 1xsf h THR 47 CO 0.20 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 176.32 1xsf n GLY 48 N 0.27 0.91 0.00 5.82 0.00 -1.26 -4.96 105.19 105.97 1xsf n GLY 48 Ca 0.00 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1xsf n GLY 48 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xsf n ASN 49 N 0.22 0.00 0.00 1.61 5.03 -1.26 -4.77 115.26 116.09 1xsf n ASN 49 Ca 0.00 -1.27 0.00 0.00 0.87 0.00 0.00 54.58 54.18 1xsf n ASN 49 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1xsf n ASN 49 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xsf n GLY 50 N 0.86 1.36 3.72 7.41 0.00 -1.26 -4.98 105.19 112.29 1xsf n GLY 50 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.15 2.94 0.33 1.61 1.51 -1.26 0.24 117.35 119.57 1xsf s TYR 51 Ca 0.00 -0.11 0.03 0.00 -1.01 0.00 0.00 57.07 55.99 1xsf s TYR 51 Cb 0.00 -1.40 -0.05 0.00 -0.11 0.00 0.00 41.96 40.39 1xsf s TYR 51 CO 0.00 0.53 0.08 0.71 -1.11 0.00 0.00 175.55 175.76 1xsf s TYR 52 N -1.83 1.86 0.75 2.71 1.51 -0.96 -4.41 117.35 116.99 1xsf s TYR 52 Ca 0.29 -1.05 -0.16 0.00 -1.01 0.00 0.00 57.07 55.14 1xsf s TYR 52 Cb -0.09 -1.19 -0.06 0.00 -0.11 0.00 0.00 41.96 40.50 1xsf s TYR 52 CO 0.21 -0.10 0.22 0.41 -1.11 0.00 0.00 175.55 175.18 1xsf n GLY 53 N -0.68 -2.30 0.77 0.71 0.00 0.11 -2.08 105.19 101.73 1xsf n GLY 53 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 2.03 1.00 0.15 -0.02 0.00 -0.64 -3.90 105.19 103.80 1xsf n GLY 54 Ca 0.08 -0.87 0.14 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.61 1.61 0.24 -1.26 -4.18 118.33 111.13 1xsf n VAL 55 Ca 0.00 -0.08 -0.21 0.00 -2.04 0.00 0.00 64.34 62.02 1xsf n VAL 55 Cb 0.00 -0.08 0.05 0.00 -1.47 0.00 0.00 33.84 32.34 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 -0.80 -4.80 -3.83 7.34 7.27 -0.88 -4.91 117.38 116.78 1xsf n GLN 56 Ca 0.17 0.67 -0.24 0.00 0.07 0.00 0.00 57.00 57.67 1xsf n GLN 56 Cb 0.26 -5.29 -0.04 0.00 2.41 0.00 0.00 30.24 27.58 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 -3.58 2.36 0.57 3.69 -0.71 -1.25 -4.55 117.98 114.51 1xsf s PHE 57 Ca 0.07 -0.62 -0.14 0.00 -1.04 0.00 0.00 56.93 55.19 1xsf s PHE 57 Cb -0.02 -2.03 -0.06 0.00 -1.21 0.00 0.00 43.02 39.70 1xsf s PHE 57 CO 0.79 -0.13 1.01 0.16 -1.34 0.00 0.00 175.22 175.71 1xsf s ASP 58 N -4.11 6.33 0.30 1.98 -4.77 -1.26 -2.26 116.67 112.88 1xsf s ASP 58 Ca 0.42 1.56 0.01 0.00 -3.30 0.00 0.00 52.55 51.24 1xsf s ASP 58 Cb -0.01 -2.50 0.55 0.00 -1.09 0.00 0.00 42.92 39.88 1xsf s ASP 58 CO 0.24 -0.79 1.90 -0.61 0.70 0.00 0.00 175.17 176.61 1xsf h GLN 59 N 0.39 0.97 -0.02 2.11 5.75 -0.58 -0.16 115.11 123.57 1xsf h GLN 59 Ca -0.46 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 57.98 1xsf h GLN 59 Cb 1.19 -0.22 -0.00 0.00 1.07 0.00 0.00 27.48 29.52 1xsf h GLN 59 CO 0.61 0.64 -0.00 0.78 -2.65 0.00 0.00 178.83 178.21 1xsf h GLY 60 N 1.00 0.04 1.02 2.39 0.00 -1.93 0.42 103.07 106.01 1xsf h GLY 60 Ca 0.40 -0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.62 1xsf h GLY 60 CO -0.16 0.03 0.04 -0.84 0.00 0.00 0.00 176.54 175.61 1xsf h THR 61 N -0.33 1.26 -0.23 4.70 2.02 -1.93 0.13 112.91 118.54 1xsf h THR 61 Ca 0.00 -1.05 0.04 0.00 0.77 0.00 0.00 66.41 66.18 1xsf h THR 61 Cb 0.38 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 1xsf h THR 61 CO 0.00 0.37 -0.01 -0.25 0.37 0.00 0.00 175.52 176.00 1xsf h TRP 62 N 0.80 -0.03 -0.35 3.16 2.91 -0.87 -0.29 115.95 121.28 1xsf h TRP 62 Ca 0.16 0.02 -0.11 0.00 1.13 0.00 0.00 58.89 60.09 1xsf h TRP 62 Cb 0.48 0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.17 1xsf h TRP 62 CO 0.04 -0.05 -0.22 1.49 -1.03 0.00 0.00 178.44 178.67 1xsf h GLU 63 N 0.06 0.67 -0.59 2.65 4.81 0.01 0.37 114.58 122.56 1xsf h GLU 63 Ca 0.11 -0.26 -0.07 0.00 -0.13 0.00 0.00 59.36 59.01 1xsf h GLU 63 Cb 0.14 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1xsf h GLU 63 CO -0.19 0.84 0.11 0.00 -0.73 0.00 0.00 179.01 179.04 1xsf h ALA 64 N 1.17 0.78 0.00 2.92 0.00 -0.05 -1.68 119.26 122.40 1xsf h ALA 64 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1xsf h ALA 64 Cb 0.69 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1xsf h ALA 64 CO 0.05 0.52 -0.14 -0.91 0.00 0.00 0.00 179.25 178.77 1xsf h ASN 65 N 0.87 0.00 -0.23 0.00 -0.26 -0.98 -3.48 115.58 111.50 1xsf h ASN 65 Ca 0.18 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 1xsf h ASN 65 Cb 0.39 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.65 1xsf h ASN 65 CO 0.01 0.01 0.00 0.61 -1.06 0.00 0.00 177.43 177.00 1xsf n GLY 66 N 1.25 0.72 0.15 2.83 0.00 -0.10 -4.94 105.19 105.11 1xsf n GLY 66 Ca 0.05 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.02 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 1.15 -0.02 0.00 -0.56 -3.24 103.07 100.40 1xsf h GLY 67 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 1xsf h GLY 67 CO 0.00 0.00 0.34 1.41 0.00 0.00 0.00 176.54 178.29 1xsf h LEU 68 N 0.00 0.00 -0.89 3.11 3.38 -1.73 0.42 115.31 119.60 1xsf h LEU 68 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1xsf h LEU 68 Cb 1.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1xsf h LEU 68 CO 0.06 0.00 -0.47 0.08 0.09 0.00 0.00 178.44 178.20 1xsf h ARG 69 N 0.00 0.00 0.02 1.13 0.11 -1.95 -2.63 114.38 111.07 1xsf h ARG 69 Ca 0.15 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.89 1xsf h ARG 69 Cb 0.82 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.85 1xsf h ARG 69 CO -0.00 0.47 -2.05 0.66 0.10 0.00 0.00 179.97 179.15 1xsf n TYR 70 N -3.67 0.65 0.00 4.08 4.01 0.11 -4.96 117.16 117.38 1xsf n TYR 70 Ca -0.01 0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 1xsf n TYR 70 Cb 0.54 -1.11 0.00 0.00 -0.31 0.00 0.00 39.34 38.47 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 -2.78 0.00 0.12 -0.72 0.00 0.10 -4.63 120.51 112.59 1xsf n ALA 71 Ca -0.28 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.17 1xsf n ALA 71 Cb 1.07 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.57 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 0.06 -3.73 0.00 -0.02 -1.11 -3.06 135.00 127.14 1xsf n PRO 72 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 1xsf n PRO 72 Cb 0.00 -1.42 -0.10 0.00 -0.02 0.00 0.00 33.50 31.96 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 0.46 0.54 -0.52 1.70 -1.26 -4.81 118.95 113.06 1xsf s ARG 73 Ca 0.02 0.60 0.22 0.00 -0.47 0.00 0.00 55.73 56.11 1xsf s ARG 73 Cb 0.01 0.18 1.45 0.00 -0.57 0.00 0.00 34.95 36.02 1xsf s ARG 73 CO 0.02 -0.07 2.13 0.00 -1.08 0.00 0.00 175.30 176.29 1xsf h ALA 74 N 5.80 2.00 -0.30 7.88 0.00 -1.86 -0.14 119.26 132.64 1xsf h ALA 74 Ca -0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1xsf h ALA 74 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1xsf h ALA 74 CO 0.26 -0.18 0.00 -0.40 0.00 0.00 0.00 179.25 178.92 1xsf n ASP 75 N -4.28 1.61 -0.12 0.00 5.75 -1.26 -3.47 116.55 114.78 1xsf n ASP 75 Ca 0.00 -2.01 -0.17 0.00 -0.01 0.00 0.00 54.79 52.61 1xsf n ASP 75 Cb 0.23 -0.20 -0.11 0.00 -1.03 0.00 0.00 41.12 40.01 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 0.37 2.96 -4.93 -2.12 7.94 -0.07 -4.80 117.00 116.36 1xsf n LEU 76 Ca 0.10 -0.13 -0.19 0.00 -1.11 0.00 0.00 56.01 54.68 1xsf n LEU 76 Cb 0.26 -0.86 -0.02 0.00 0.53 0.00 0.00 43.42 43.33 1xsf n LEU 76 CO 0.07 0.91 0.04 0.00 -1.11 0.00 0.00 177.39 177.30 1xsf s ALA 77 N -2.49 4.20 0.73 1.96 0.00 -1.23 -5.00 121.76 119.93 1xsf s ALA 77 Ca -0.33 -1.74 -0.03 0.00 0.00 0.00 0.00 51.96 49.86 1xsf s ALA 77 Cb 0.09 -1.30 0.13 0.00 0.00 0.00 0.00 23.12 22.03 1xsf s ALA 77 CO 0.57 -0.19 0.87 0.25 0.00 0.00 0.00 175.76 177.26 1xsf n THR 78 N -1.63 0.00 -0.19 0.00 -2.24 -1.26 -4.79 114.28 104.16 1xsf n THR 78 Ca 0.04 -1.20 -0.00 0.00 -2.27 0.00 0.00 64.05 60.62 1xsf n THR 78 Cb 0.60 -1.09 0.08 0.00 -2.10 0.00 0.00 70.33 67.82 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 0.07 -0.03 -0.78 3.08 -1.97 0.12 114.38 114.87 1xsf h ARG 79 Ca -0.29 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 1xsf h ARG 79 Cb 1.00 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.03 1xsf h ARG 79 CO 0.28 0.05 -0.01 1.05 -1.07 0.00 0.00 179.97 180.27 1xsf h GLU 80 N 0.07 0.04 0.02 0.04 9.09 -1.96 0.28 114.58 122.16 1xsf h GLU 80 Ca 0.30 -0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.71 1xsf h GLU 80 Cb 0.48 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.57 1xsf h GLU 80 CO -0.54 0.05 -0.01 1.49 0.05 0.00 0.00 179.01 180.06 1xsf h GLU 81 N 0.04 -0.02 -0.57 1.06 4.57 -1.12 -1.56 114.58 116.98 1xsf h GLU 81 Ca 0.01 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1xsf h GLU 81 Cb 0.04 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 1xsf h GLU 81 CO 0.00 0.55 0.38 1.96 -1.18 0.00 0.00 179.01 180.72 1xsf h GLN 82 N -0.61 0.71 -0.26 1.92 4.20 -0.86 0.09 115.11 120.30 1xsf h GLN 82 Ca -0.00 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1xsf h GLN 82 Cb 0.58 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1xsf h GLN 82 CO 0.00 0.47 0.15 0.82 -0.67 0.00 0.00 178.83 179.60 1xsf h ILE 83 N 0.74 1.11 -0.57 2.54 2.04 -0.49 0.04 117.51 122.92 1xsf h ILE 83 Ca 0.21 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1xsf h ILE 83 Cb -0.03 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1xsf h ILE 83 CO -0.05 0.11 0.34 0.00 0.00 0.00 0.00 178.15 178.55 1xsf h ALA 84 N 1.03 0.73 -0.07 1.87 0.00 0.05 0.76 119.26 123.65 1xsf h ALA 84 Ca 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1xsf h ALA 84 Cb 0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1xsf h ALA 84 CO -0.02 0.22 -0.05 0.28 0.00 0.00 0.00 179.25 179.69 1xsf h VAL 85 N 0.77 1.35 -0.20 0.00 2.07 -1.30 -2.48 116.25 116.47 1xsf h VAL 85 Ca 0.21 -1.13 0.06 0.00 0.82 0.00 0.00 66.70 66.65 1xsf h VAL 85 Cb -0.00 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1xsf h VAL 85 CO -0.04 0.31 0.16 0.00 0.02 0.00 0.00 177.57 178.03 1xsf h ALA 86 N 0.59 2.08 -0.52 1.67 0.00 -0.73 -0.69 119.26 121.65 1xsf h ALA 86 Ca 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xsf h ALA 86 Cb 0.52 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1xsf h ALA 86 CO 0.01 -0.27 0.34 0.93 0.00 0.00 0.00 179.25 180.27 1xsf h GLU 87 N 0.00 0.67 -0.31 0.00 4.39 0.10 0.76 114.58 120.20 1xsf h GLU 87 Ca 0.10 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.64 1xsf h GLU 87 Cb 0.42 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1xsf h GLU 87 CO -0.00 0.45 -0.28 0.28 -1.16 0.00 0.00 179.01 178.29 1xsf h VAL 88 N 0.69 1.30 -0.20 3.13 2.07 -0.99 -2.85 116.25 119.40 1xsf h VAL 88 Ca 0.20 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1xsf h VAL 88 Cb -0.06 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1xsf h VAL 88 CO -0.05 0.47 0.13 0.74 0.02 0.00 0.00 177.57 178.87 1xsf h THR 89 N 0.49 1.04 -0.27 2.57 2.02 -0.57 -2.91 112.91 115.28 1xsf h THR 89 Ca 0.05 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.07 1xsf h THR 89 Cb 0.85 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1xsf h THR 89 CO 0.07 0.05 -0.14 0.08 0.37 0.00 0.00 175.52 175.95 1xsf h ARG 90 N 0.26 0.47 0.00 6.66 0.11 0.49 -2.52 114.38 119.84 1xsf h ARG 90 Ca 0.08 -0.14 -0.02 0.00 0.10 0.00 0.00 59.98 59.99 1xsf h ARG 90 Cb -0.02 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.01 1xsf h ARG 90 CO -0.02 0.60 -0.12 1.37 0.10 0.00 0.00 179.97 181.90 1xsf h LEU 91 N 0.43 0.00 0.00 0.08 8.10 -1.30 0.15 115.31 122.77 1xsf h LEU 91 Ca 0.08 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.98 1xsf h LEU 91 Cb 0.50 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.71 1xsf h LEU 91 CO 0.03 0.12 -0.55 0.03 -4.11 0.00 0.00 178.44 173.96 1xsf h ARG 92 N 0.00 0.00 0.00 0.17 3.08 -1.38 -3.41 114.38 112.84 1xsf h ARG 92 Ca -0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 1xsf h ARG 92 Cb 0.62 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 1xsf h ARG 92 CO 0.02 0.77 -1.91 0.00 -1.07 0.00 0.00 179.97 177.78 1xsf n GLN 93 N -4.56 0.66 -1.91 0.04 0.00 -1.09 -5.01 117.38 105.50 1xsf n GLN 93 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 57.00 56.82 1xsf n GLN 93 Cb 0.48 -1.62 0.00 0.00 0.00 0.00 0.00 30.24 29.10 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 1.45 0.48 2.41 2.61 0.00 0.53 -3.74 105.19 108.93 1xsf n GLY 94 Ca -0.15 -0.45 -0.17 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.01 -1.09 0.10 1.61 7.02 -1.25 -4.84 117.44 117.99 1xsf n TRP 95 Ca 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.51 1xsf n TRP 95 Cb 0.49 -3.46 -0.01 0.00 -2.42 0.00 0.00 31.31 25.91 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 1.91 6.99 0.00 -1.91 -3.26 103.07 106.79 1xsf h GLY 96 Ca -0.41 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 1xsf h GLY 96 CO 0.49 0.00 -0.47 0.00 0.00 0.00 0.00 176.54 176.57 1xsf h ALA 97 N 1.52 0.73 -2.49 3.60 0.00 -1.88 -3.41 119.26 117.34 1xsf h ALA 97 Ca -0.06 -0.37 -0.72 0.00 0.00 0.00 0.00 54.91 53.76 1xsf h ALA 97 Cb 1.41 -0.04 -0.22 0.00 0.00 0.00 0.00 17.79 18.94 1xsf h ALA 97 CO 0.05 0.50 -0.41 -1.58 0.00 0.00 0.00 179.25 177.81 1xsf s TRP 98 N -3.02 3.25 0.00 0.00 0.51 -1.23 -5.07 118.94 113.38 1xsf s TRP 98 Ca 0.04 -0.82 0.00 0.00 -2.12 0.00 0.00 56.10 53.20 1xsf s TRP 98 Cb 0.07 -2.79 0.00 0.00 -0.81 0.00 0.00 33.47 29.94 1xsf s TRP 98 CO 0.74 -0.69 0.00 -2.30 -0.51 0.00 0.00 176.95 174.19 1xsf n PRO 99 N 5.14 1.17 0.16 4.98 -0.02 -1.26 -4.02 135.00 141.15 1xsf n PRO 99 Ca -0.12 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.55 1xsf n PRO 99 Cb 0.45 0.00 0.80 0.00 -0.02 0.00 0.00 33.50 34.73 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 0.42 0.00 -1.45 2.07 -1.97 0.19 116.25 115.51 1xsf h VAL 100 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1xsf h VAL 100 Cb 0.00 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1xsf h VAL 100 CO 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 177.48 1xsf h ALA 102 N 1.89 0.32 -0.36 0.00 0.00 -1.08 -0.37 119.26 119.66 1xsf h ALA 102 Ca -0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1xsf h ALA 102 Cb 0.29 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1xsf h ALA 102 CO 0.01 0.24 -0.21 0.00 0.00 0.00 0.00 179.25 179.29 1xsf h ALA 103 N 0.68 0.96 -0.18 0.00 0.00 -1.49 0.87 119.26 120.09 1xsf h ALA 103 Ca 0.04 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1xsf h ALA 103 Cb 0.72 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1xsf h ALA 103 CO 0.05 0.61 -0.14 0.00 0.00 0.00 0.00 179.25 179.77 1xsf h ARG 104 N 0.61 0.29 0.00 0.00 2.47 -1.05 -3.01 114.38 113.69 1xsf h ARG 104 Ca 0.09 -0.07 -0.07 0.00 -1.26 0.00 0.00 59.98 58.67 1xsf h ARG 104 Cb 0.69 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.96 1xsf h ARG 104 CO 0.05 0.44 -1.08 0.00 0.56 0.00 0.00 179.97 179.94 1xsf h ALA 105 N 1.59 0.59 0.00 0.04 0.00 -0.52 -3.49 119.26 117.47 1xsf h ALA 105 Ca 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1xsf h ALA 105 Cb 0.41 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1xsf h ALA 105 CO 0.02 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.07 1xsf n GLY 106 N 1.26 0.79 3.74 0.00 0.00 0.16 -4.20 105.19 106.94 1xsf n GLY 106 Ca -0.03 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.68 2.33 0.00 4.61 0.00 -0.37 -4.89 121.76 121.76 1xsf s ALA 107 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.84 1xsf s ALA 107 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1xsf s ALA 107 CO 0.00 -1.53 0.00 0.54 0.00 0.00 0.00 175.76 174.77