#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 -2.71 3.53 3.04 -2.13 -3.45 116.25 114.53 1xsf h VAL 2 Ca 0.00 -0.77 -0.52 0.00 -1.01 0.00 0.00 66.70 64.40 1xsf h VAL 2 Cb 0.00 1.75 0.04 0.00 -2.01 0.00 0.00 31.29 31.08 1xsf h VAL 2 CO 0.00 0.00 0.97 0.54 -1.01 0.00 0.00 177.57 178.07 1xsf s VAL 3 N -3.27 2.49 0.21 1.51 0.11 -1.26 -5.00 120.40 115.19 1xsf s VAL 3 Ca 0.07 0.26 -0.00 0.00 -2.93 0.00 0.00 61.98 59.37 1xsf s VAL 3 Cb 0.07 -3.17 -0.04 0.00 -1.53 0.00 0.00 36.38 31.72 1xsf s VAL 3 CO 0.62 0.01 0.40 -0.69 -3.33 0.00 0.00 175.10 172.11 1xsf s VAL 4 N 1.63 5.20 -0.37 2.04 1.01 -1.26 -5.05 120.40 123.59 1xsf s VAL 4 Ca 0.74 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 62.04 1xsf s VAL 4 Cb -0.45 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.20 1xsf s VAL 4 CO 0.32 -0.20 1.25 0.42 0.00 0.00 0.00 175.10 176.89 1xsf s THR 5 N -1.90 4.16 0.58 3.92 -4.23 -1.26 -5.02 115.64 111.90 1xsf s THR 5 Ca 0.38 1.26 0.01 0.00 -1.18 0.00 0.00 61.69 62.16 1xsf s THR 5 Cb -0.11 -4.33 0.05 0.00 1.34 0.00 0.00 72.50 69.45 1xsf s THR 5 CO 0.29 -0.68 0.82 -2.16 -0.54 0.00 0.00 174.62 172.35 1xsf s PRO 6 N 4.34 2.42 -1.27 3.99 0.05 -1.26 -5.00 135.00 138.26 1xsf s PRO 6 Ca 0.54 -0.80 -0.06 0.00 0.05 0.00 0.00 61.00 60.73 1xsf s PRO 6 Cb -0.13 -2.45 0.16 0.00 0.05 0.00 0.00 34.50 32.13 1xsf s PRO 6 CO 0.26 -0.84 2.15 0.00 0.05 0.00 0.00 177.00 178.62 1xsf n ALA 7 N -2.44 6.27 1.18 8.56 0.00 -1.26 -4.33 120.51 128.49 1xsf n ALA 7 Ca 0.09 -4.24 0.13 0.00 0.00 0.00 0.00 53.44 49.42 1xsf n ALA 7 Cb 0.60 -2.75 0.24 0.00 0.00 0.00 0.00 19.45 17.54 1xsf n ALA 7 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xsf n HIS 8 N 2.09 0.00 -1.69 0.00 8.25 -1.26 -4.98 115.22 117.62 1xsf n HIS 8 Ca 0.53 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.58 1xsf n HIS 8 Cb 0.28 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.40 1xsf n HIS 8 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1xsf n GLU 9 N 0.56 1.80 -3.09 -0.41 0.28 -1.26 -4.97 120.64 113.55 1xsf n GLU 9 Ca 0.15 0.65 -0.20 0.00 -0.16 0.00 0.00 57.16 57.59 1xsf n GLU 9 Cb 0.48 -2.37 -0.04 0.00 1.43 0.00 0.00 31.44 30.94 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 -0.40 1.40 0.22 -1.84 0.00 -1.26 -4.97 120.51 113.66 1xsf n ALA 10 Ca 0.08 -2.82 0.11 0.00 0.00 0.00 0.00 53.44 50.80 1xsf n ALA 10 Cb 0.41 -0.95 0.42 0.00 0.00 0.00 0.00 19.45 19.32 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 2.54 0.43 -4.54 0.00 3.04 -2.04 -3.47 116.25 112.20 1xsf h VAL 11 Ca 0.03 -1.12 -0.20 0.00 -1.01 0.00 0.00 66.70 64.40 1xsf h VAL 11 Cb 0.93 1.82 0.01 0.00 -2.01 0.00 0.00 31.29 32.03 1xsf h VAL 11 CO 0.41 0.19 -0.58 0.55 -1.01 0.00 0.00 177.57 177.13 1xsf n VAL 12 N -3.29 -1.78 -3.52 1.51 3.14 -1.26 -4.88 118.33 108.26 1xsf n VAL 12 Ca 0.01 0.03 -0.42 0.00 -2.96 0.00 0.00 64.34 60.99 1xsf n VAL 12 Cb 0.45 -1.62 -0.10 0.00 -1.06 0.00 0.00 33.84 31.52 1xsf n VAL 12 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xsf s ARG 13 N -1.65 2.82 0.15 1.45 1.70 -1.26 -5.03 118.95 117.13 1xsf s ARG 13 Ca 0.15 -1.28 0.01 0.00 -0.47 0.00 0.00 55.73 54.14 1xsf s ARG 13 Cb -0.02 -3.90 -0.04 0.00 -0.57 0.00 0.00 34.95 30.42 1xsf s ARG 13 CO 0.42 -0.89 0.00 0.08 -1.08 0.00 0.00 175.30 173.84 1xsf s VAL 14 N 1.55 0.56 -0.38 4.99 1.01 -1.26 -5.09 120.40 121.78 1xsf s VAL 14 Ca 0.03 -1.96 0.03 0.00 0.00 0.00 0.00 61.98 60.08 1xsf s VAL 14 Cb -0.22 -2.04 0.30 0.00 0.00 0.00 0.00 36.38 34.42 1xsf s VAL 14 CO 0.06 -0.53 1.22 0.61 0.00 0.00 0.00 175.10 176.45 1xsf n GLY 15 N -0.18 -0.94 0.11 4.51 0.00 -1.26 -5.01 105.19 102.43 1xsf n GLY 15 Ca -0.07 0.63 -0.05 0.00 0.00 0.00 0.00 46.02 46.53 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 1.58 1.53 -1.81 2.61 2.02 -2.05 -3.44 112.91 113.35 1xsf h THR 16 Ca -0.23 -2.62 -0.61 0.00 0.77 0.00 0.00 66.41 63.73 1xsf h THR 16 Cb 1.16 2.43 -0.00 0.00 -1.74 0.00 0.00 68.15 70.00 1xsf h THR 16 CO 0.02 0.76 1.48 0.29 0.37 0.00 0.00 175.52 178.43 1xsf n LYS 17 N -3.64 1.80 -2.29 6.66 4.76 -1.26 -4.96 118.16 119.22 1xsf n LYS 17 Ca -0.02 0.49 -0.26 0.00 -2.87 0.00 0.00 58.31 55.66 1xsf n LYS 17 Cb 0.77 -3.09 0.06 0.00 -1.84 0.00 0.00 35.03 30.92 1xsf n LYS 17 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1xsf s PRO 18 N 6.32 2.40 -0.34 1.97 0.05 -1.26 -5.00 135.00 139.15 1xsf s PRO 18 Ca 1.03 -0.24 0.08 0.00 0.05 0.00 0.00 61.00 61.91 1xsf s PRO 18 Cb -0.44 -2.22 0.60 0.00 0.05 0.00 0.00 34.50 32.49 1xsf s PRO 18 CO 0.38 -1.06 1.67 0.41 0.05 0.00 0.00 177.00 178.45 1xsf n GLY 19 N -2.79 4.48 0.26 0.56 0.00 -1.26 -4.50 105.19 101.96 1xsf n GLY 19 Ca 0.07 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.84 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 1.35 1.27 -3.27 2.61 2.02 -2.01 -3.41 112.91 111.49 1xsf h THR 20 Ca 0.35 -1.54 -0.66 0.00 0.77 0.00 0.00 66.41 65.33 1xsf h THR 20 Cb 2.16 1.36 -0.30 0.00 -1.74 0.00 0.00 68.15 69.63 1xsf h THR 20 CO 0.67 0.51 -0.78 -1.61 0.37 0.00 0.00 175.52 174.68 1xsf s GLU 21 N -4.42 3.23 -0.15 6.66 2.02 -1.26 -5.08 118.70 119.70 1xsf s GLU 21 Ca -0.11 -0.72 -0.29 0.00 0.02 0.00 0.00 54.97 53.87 1xsf s GLU 21 Cb 0.11 -2.77 -0.03 0.00 0.10 0.00 0.00 34.13 31.54 1xsf s GLU 21 CO 0.87 -0.13 1.45 0.08 0.02 0.00 0.00 175.26 177.56 1xsf s VAL 22 N 1.21 3.95 0.34 2.63 1.01 -1.26 -4.97 120.40 123.30 1xsf s VAL 22 Ca 0.02 1.13 -0.28 0.00 0.00 0.00 0.00 61.98 62.85 1xsf s VAL 22 Cb -0.14 -3.78 -0.12 0.00 0.00 0.00 0.00 36.38 32.33 1xsf s VAL 22 CO -0.05 -0.16 1.30 -2.65 0.00 0.00 0.00 175.10 173.54 1xsf n PRO 23 N 7.00 2.15 -1.68 2.72 -0.02 -1.26 -4.89 135.00 139.02 1xsf n PRO 23 Ca 0.16 0.75 -0.43 0.00 -2.02 0.00 0.00 63.50 61.96 1xsf n PRO 23 Cb 0.44 -2.35 -0.01 0.00 -0.02 0.00 0.00 33.50 31.57 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 0.63 1.97 -3.25 0.52 -0.04 -1.26 -4.96 135.00 128.60 1xsf n PRO 24 Ca 0.05 0.69 -0.39 0.00 -0.04 0.00 0.00 63.50 63.81 1xsf n PRO 24 Cb 0.36 -2.24 -0.06 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 -1.09 4.82 0.48 0.52 1.01 -1.26 -4.96 120.40 119.91 1xsf s VAL 25 Ca 0.56 1.22 0.27 0.00 0.00 0.00 0.00 61.98 64.03 1xsf s VAL 25 Cb -0.59 -3.91 0.30 0.00 0.00 0.00 0.00 36.38 32.19 1xsf s VAL 25 CO 0.62 0.50 2.13 0.40 0.00 0.00 0.00 175.10 178.74 1xsf h ILE 26 N 3.80 0.61 -0.02 2.22 1.08 -2.03 0.75 117.51 123.90 1xsf h ILE 26 Ca -0.48 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 63.64 1xsf h ILE 26 Cb 1.21 1.22 0.00 0.00 -3.07 0.00 0.00 36.82 36.18 1xsf h ILE 26 CO 0.66 0.08 -0.00 0.47 -0.69 0.00 0.00 178.15 178.67 1xsf n ASP 27 N -3.78 2.57 0.00 1.72 9.92 -1.26 -4.21 116.55 121.51 1xsf n ASP 27 Ca -0.02 -1.79 0.05 0.00 -0.53 0.00 0.00 54.79 52.50 1xsf n ASP 27 Cb 0.18 0.00 0.26 0.00 -0.64 0.00 0.00 41.12 40.92 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 1.07 -0.78 0.18 0.44 0.00 0.26 -0.84 105.19 105.52 1xsf n GLY 28 Ca 0.11 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 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 0.82 -0.33 1.61 0.02 -1.73 -0.43 113.55 113.51 1xsf h SER 29 Ca 0.00 -0.70 -0.13 0.00 -0.84 0.00 0.00 61.79 60.12 1xsf h SER 29 Cb 0.15 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1xsf h SER 29 CO 0.00 1.51 -0.28 0.40 -1.14 0.00 0.00 176.83 177.31 1xsf h ILE 30 N 0.32 1.27 -0.31 3.27 1.08 -1.19 -0.00 117.51 121.95 1xsf h ILE 30 Ca -0.14 -1.43 -0.12 0.00 -0.39 0.00 0.00 64.86 62.77 1xsf h ILE 30 Cb 1.77 1.27 -0.01 0.00 -3.07 0.00 0.00 36.82 36.78 1xsf h ILE 30 CO 0.21 0.48 -0.31 -0.50 -0.69 0.00 0.00 178.15 177.34 1xsf h TRP 31 N 0.72 0.77 -0.12 1.37 -0.00 -1.36 0.30 115.95 117.63 1xsf h TRP 31 Ca 0.08 -0.20 -0.20 0.00 -0.00 0.00 0.00 58.89 58.58 1xsf h TRP 31 Cb 0.83 -0.18 0.01 0.00 -0.00 0.00 0.00 29.16 29.83 1xsf h TRP 31 CO 0.05 0.89 -0.72 0.22 -0.00 0.00 0.00 178.44 178.89 1xsf h ASP 32 N 0.57 0.84 0.23 -3.49 3.58 -0.90 -1.98 116.42 115.27 1xsf h ASP 32 Ca 0.07 -0.65 -0.12 0.00 0.42 0.00 0.00 57.03 56.74 1xsf h ASP 32 Cb 0.81 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 1xsf h ASP 32 CO 0.07 1.35 -0.48 0.00 -2.88 0.00 0.00 179.24 177.30 1xsf h ALA 33 N 0.50 0.97 -0.05 -0.78 0.00 -0.76 0.29 119.26 119.43 1xsf h ALA 33 Ca -0.06 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1xsf h ALA 33 Cb 1.36 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xsf h ALA 33 CO 0.15 0.65 0.02 0.82 0.00 0.00 0.00 179.25 180.88 1xsf h ILE 34 N 0.23 1.18 -0.23 0.00 2.04 -0.39 0.17 117.51 120.50 1xsf h ILE 34 Ca 0.01 -0.53 -0.08 0.00 1.00 0.00 0.00 64.86 65.27 1xsf h ILE 34 Cb 0.93 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1xsf h ILE 34 CO 0.08 0.15 -0.18 0.00 0.00 0.00 0.00 178.15 178.19 1xsf h ALA 35 N 0.81 1.26 0.00 1.87 0.00 -1.18 -0.91 119.26 121.11 1xsf h ALA 35 Ca 0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1xsf h ALA 35 Cb 0.22 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xsf h ALA 35 CO -0.00 0.49 -0.12 0.78 0.00 0.00 0.00 179.25 180.40 1xsf h GLY 36 N 0.94 0.00 0.01 0.00 0.00 -0.26 0.17 103.07 103.93 1xsf h GLY 36 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 1xsf h GLY 36 CO 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.57 1xsf n GLU 38 N -2.20 0.67 0.06 0.00 2.13 -0.85 -3.82 120.64 116.63 1xsf n GLU 38 Ca -0.00 0.27 0.13 0.00 0.66 0.00 0.00 57.16 58.21 1xsf n GLU 38 Cb 0.01 -1.75 0.32 0.00 0.27 0.00 0.00 31.44 30.28 1xsf n GLU 38 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xsf n ALA 39 N -2.70 2.68 -1.20 4.31 0.00 -0.78 -4.90 120.51 117.92 1xsf n ALA 39 Ca -0.22 -0.16 -0.05 0.00 0.00 0.00 0.00 53.44 53.01 1xsf n ALA 39 Cb 1.06 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 19.17 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 1.36 0.76 2.15 0.00 0.00 -0.68 -3.24 105.19 105.55 1xsf n GLY 40 Ca 0.05 -0.81 -0.03 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.27 -0.21 2.45 -0.02 0.00 0.50 -4.86 105.19 100.78 1xsf n GLY 41 Ca -0.05 0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.85 1.88 0.08 1.61 3.04 -1.20 -4.95 114.94 112.56 1xsf s ASN 42 Ca 0.11 -2.63 0.21 0.00 0.04 0.00 0.00 52.86 50.59 1xsf s ASN 42 Cb -0.01 -0.30 0.87 0.00 -1.54 0.00 0.00 41.25 40.27 1xsf s ASN 42 CO 0.29 -0.22 1.67 0.79 -3.04 0.00 0.00 177.10 176.59 1xsf n TRP 43 N 3.36 0.29 -0.56 0.43 7.02 -1.26 -1.80 117.44 124.91 1xsf n TRP 43 Ca 0.22 0.10 0.08 0.00 -1.02 0.00 0.00 57.50 56.88 1xsf n TRP 43 Cb 0.44 -0.67 0.26 0.00 -2.42 0.00 0.00 31.31 28.93 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 -1.59 2.74 -1.78 6.99 0.00 -1.26 -3.29 120.51 122.32 1xsf n ALA 44 Ca 0.04 -1.62 -0.37 0.00 0.00 0.00 0.00 53.44 51.49 1xsf n ALA 44 Cb 0.26 -0.74 -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 -1.79 3.76 -0.34 0.00 2.07 -0.90 -4.83 121.20 119.16 1xsf s ILE 45 Ca 0.40 1.44 0.04 0.00 -1.41 0.00 0.00 60.65 61.12 1xsf s ILE 45 Cb 0.26 -3.79 0.17 0.00 0.13 0.00 0.00 42.46 39.23 1xsf s ILE 45 CO 0.18 0.10 0.48 0.21 -1.91 0.00 0.00 174.94 174.00 1xsf s ASN 46 N -1.45 -0.14 0.46 4.50 3.84 -1.26 -0.01 114.94 120.89 1xsf s ASN 46 Ca 0.54 -0.76 0.27 0.00 0.21 0.00 0.00 52.86 53.12 1xsf s ASN 46 Cb -0.23 1.29 0.72 0.00 -0.55 0.00 0.00 41.25 42.47 1xsf s ASN 46 CO 0.29 -0.27 1.74 0.71 -2.79 0.00 0.00 177.10 176.78 1xsf h THR 47 N 5.53 0.00 0.00 -5.21 1.35 -1.96 -3.47 112.91 109.15 1xsf h THR 47 Ca -0.00 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1xsf h THR 47 Cb 1.13 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 1xsf h THR 47 CO 0.19 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.07 1xsf n GLY 48 N 0.74 0.78 1.44 5.82 0.00 -1.26 -4.96 105.19 107.75 1xsf n GLY 48 Ca 0.03 -0.62 0.09 0.00 0.00 0.00 0.00 46.02 45.52 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 1.22 4.25 0.00 1.61 4.13 -1.26 -4.88 115.26 120.33 1xsf n ASN 49 Ca 0.00 -2.36 0.00 0.00 1.68 0.00 0.00 54.58 53.90 1xsf n ASN 49 Cb 0.12 -0.54 0.00 0.00 -1.54 0.00 0.00 39.78 37.82 1xsf n ASN 49 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xsf n GLY 50 N 1.11 2.67 3.69 7.41 0.00 -1.26 -4.99 105.19 113.81 1xsf n GLY 50 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.10 3.32 0.41 1.61 1.51 -1.26 0.03 117.35 120.87 1xsf s TYR 51 Ca 0.00 0.19 0.08 0.00 -1.01 0.00 0.00 57.07 56.33 1xsf s TYR 51 Cb 0.00 -2.06 -0.01 0.00 -0.11 0.00 0.00 41.96 39.78 1xsf s TYR 51 CO 0.00 0.28 0.44 0.71 -1.11 0.00 0.00 175.55 175.87 1xsf s TYR 52 N 0.11 2.76 0.88 2.71 1.51 -1.26 -4.55 117.35 119.51 1xsf s TYR 52 Ca 0.06 -0.44 -0.14 0.00 -1.01 0.00 0.00 57.07 55.54 1xsf s TYR 52 Cb -0.12 -2.22 0.01 0.00 -0.11 0.00 0.00 41.96 39.52 1xsf s TYR 52 CO 0.00 -0.21 0.43 0.41 -1.11 0.00 0.00 175.55 175.07 1xsf n GLY 53 N -1.65 -1.90 0.53 0.71 0.00 0.99 -2.56 105.19 101.31 1xsf n GLY 53 Ca 0.05 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 1.57 0.98 0.13 -0.02 0.00 -0.75 -3.82 105.19 103.28 1xsf n GLY 54 Ca 0.08 -0.96 0.13 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.04 1.61 0.24 -1.26 -4.27 118.33 110.61 1xsf n VAL 55 Ca 0.00 -0.07 -0.29 0.00 -2.04 0.00 0.00 64.34 61.94 1xsf n VAL 55 Cb 0.00 0.09 -0.03 0.00 -1.47 0.00 0.00 33.84 32.42 1xsf n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xsf n GLN 56 N -0.99 -2.21 -0.81 7.34 10.64 -1.06 -4.85 117.38 125.44 1xsf n GLN 56 Ca 0.12 0.30 0.03 0.00 -1.83 0.00 0.00 57.00 55.62 1xsf n GLN 56 Cb 0.31 -4.07 0.33 0.00 -0.86 0.00 0.00 30.24 25.96 1xsf n GLN 56 CO 0.00 0.00 0.00 1.97 -1.83 0.00 0.00 177.06 177.20 1xsf n PHE 57 N -4.49 1.85 0.00 2.61 -1.74 -1.26 -4.69 117.46 109.75 1xsf n PHE 57 Ca -0.28 -0.94 0.00 0.00 -0.56 0.00 0.00 57.45 55.67 1xsf n PHE 57 Cb 0.67 -0.51 0.00 0.00 1.52 0.00 0.00 39.48 41.16 1xsf n PHE 57 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 1xsf n ASP 58 N 0.02 -0.78 -0.04 5.98 2.03 -1.26 -4.24 116.55 118.26 1xsf n ASP 58 Ca 0.30 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.67 1xsf n ASP 58 Cb 1.17 0.55 0.43 0.00 -0.72 0.00 0.00 41.12 42.55 1xsf n ASP 58 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 1xsf h GLN 59 N 0.00 0.53 -0.33 -0.67 5.75 -0.76 0.76 115.11 120.38 1xsf h GLN 59 Ca 0.00 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.40 1xsf h GLN 59 Cb 0.00 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.42 1xsf h GLN 59 CO 0.00 0.35 -0.05 0.78 -2.65 0.00 0.00 178.83 177.25 1xsf h GLY 60 N 0.54 0.68 1.06 2.39 0.00 -1.88 0.40 103.07 106.27 1xsf h GLY 60 Ca 0.20 -0.54 -0.16 0.00 0.00 0.00 0.00 47.33 46.83 1xsf h GLY 60 CO -0.05 0.50 -0.46 -0.84 0.00 0.00 0.00 176.54 175.69 1xsf h THR 61 N 0.42 1.29 -0.22 4.70 2.02 -1.51 0.20 112.91 119.81 1xsf h THR 61 Ca 0.09 -1.65 0.04 0.00 0.77 0.00 0.00 66.41 65.66 1xsf h THR 61 Cb 0.54 1.67 -0.04 0.00 -1.74 0.00 0.00 68.15 68.57 1xsf h THR 61 CO 0.03 0.53 -0.05 -0.25 0.37 0.00 0.00 175.52 176.15 1xsf h TRP 62 N 0.55 -0.12 -0.76 3.16 2.91 0.56 -0.86 115.95 121.39 1xsf h TRP 62 Ca 0.02 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 60.01 1xsf h TRP 62 Cb 1.06 0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 29.76 1xsf h TRP 62 CO 0.08 -0.09 0.28 1.49 -1.03 0.00 0.00 178.44 179.16 1xsf h GLU 63 N 0.00 1.15 -0.80 2.65 4.57 -0.06 0.40 114.58 122.51 1xsf h GLU 63 Ca 0.11 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.05 1xsf h GLU 63 Cb 0.16 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 1xsf h GLU 63 CO -0.23 0.95 0.45 0.00 -1.18 0.00 0.00 179.01 179.00 1xsf h ALA 64 N 1.14 1.02 -0.00 2.92 0.00 -0.08 0.43 119.26 124.70 1xsf h ALA 64 Ca 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1xsf h ALA 64 Cb 0.25 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1xsf h ALA 64 CO -0.02 0.52 -0.03 0.09 0.00 0.00 0.00 179.25 179.81 1xsf n ASN 65 N -4.43 0.03 -0.62 0.00 5.03 -0.38 -4.92 115.26 109.97 1xsf n ASN 65 Ca 0.08 0.40 0.00 0.00 0.87 0.00 0.00 54.58 55.93 1xsf n ASN 65 Cb 0.08 -0.44 0.00 0.00 -1.02 0.00 0.00 39.78 38.40 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 0.62 0.19 7.41 0.00 0.14 -4.98 105.19 110.06 1xsf n GLY 66 Ca 0.08 -0.40 0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.43 -3.28 103.07 101.34 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 -1.15 3.11 4.07 -1.77 0.35 115.31 119.92 1xsf h LEU 68 Ca 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.88 1xsf h LEU 68 Cb 0.88 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.61 1xsf h LEU 68 CO 0.00 0.00 -0.31 0.08 -1.08 0.00 0.00 178.44 177.13 1xsf h ARG 69 N 0.00 0.19 0.09 1.13 0.11 -1.97 -2.29 114.38 111.65 1xsf h ARG 69 Ca -0.00 -0.07 -0.27 0.00 0.10 0.00 0.00 59.98 59.74 1xsf h ARG 69 Cb 0.01 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 1xsf h ARG 69 CO 0.00 0.49 -1.28 1.88 0.10 0.00 0.00 179.97 181.16 1xsf h TYR 70 N 0.17 0.36 0.00 4.08 0.05 -0.67 -3.47 116.97 117.49 1xsf h TYR 70 Ca 0.02 -0.26 0.00 0.00 0.05 0.00 0.00 58.73 58.54 1xsf h TYR 70 Cb 0.65 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.37 1xsf h TYR 70 CO 0.01 1.24 0.00 0.00 -1.05 0.00 0.00 178.16 178.35 1xsf n ALA 71 N -2.53 0.00 0.00 3.88 0.00 0.31 -4.70 120.51 117.47 1xsf n ALA 71 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 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 -3.80 0.00 -0.02 -1.08 -3.35 135.00 126.75 1xsf n PRO 72 Ca 0.00 0.28 -0.13 0.00 -2.02 0.00 0.00 63.50 61.64 1xsf n PRO 72 Cb 0.00 -1.55 -0.13 0.00 -0.02 0.00 0.00 33.50 31.80 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 -2.51 0.15 0.55 -0.52 1.70 -1.26 -4.78 118.95 112.27 1xsf s ARG 73 Ca 0.00 0.24 0.22 0.00 -0.47 0.00 0.00 55.73 55.72 1xsf s ARG 73 Cb 0.00 0.02 1.49 0.00 -0.57 0.00 0.00 34.95 35.88 1xsf s ARG 73 CO 0.00 -0.06 2.19 0.00 -1.08 0.00 0.00 175.30 176.35 1xsf h ALA 74 N 6.26 1.80 -0.12 7.88 0.00 -1.84 -1.43 119.26 131.80 1xsf h ALA 74 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1xsf h ALA 74 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1xsf h ALA 74 CO 0.42 0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.28 1xsf n ASP 75 N -4.25 1.36 -0.10 0.00 5.75 -1.25 -2.48 116.55 115.59 1xsf n ASP 75 Ca -0.03 -1.62 -0.10 0.00 -0.01 0.00 0.00 54.79 53.03 1xsf n ASP 75 Cb 0.09 -0.07 -0.15 0.00 -1.03 0.00 0.00 41.12 39.96 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 0.11 0.20 -4.78 -2.12 7.94 -0.57 -4.54 117.00 113.24 1xsf n LEU 76 Ca 0.16 -0.01 -0.37 0.00 -1.11 0.00 0.00 56.01 54.68 1xsf n LEU 76 Cb 0.29 0.39 -0.06 0.00 0.53 0.00 0.00 43.42 44.58 1xsf n LEU 76 CO 0.13 0.52 0.67 0.00 -1.11 0.00 0.00 177.39 177.60 1xsf s ALA 77 N -2.48 3.22 0.33 1.96 0.00 -1.00 -5.00 121.76 118.79 1xsf s ALA 77 Ca -0.11 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1xsf s ALA 77 Cb 0.06 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.98 1xsf s ALA 77 CO 0.79 0.10 0.05 0.25 0.00 0.00 0.00 175.76 176.95 1xsf n THR 78 N 0.60 0.00 -0.16 0.00 -2.24 -1.26 -4.75 114.28 106.47 1xsf n THR 78 Ca 0.02 -0.09 -0.04 0.00 -2.27 0.00 0.00 64.05 61.67 1xsf n THR 78 Cb 0.49 -1.28 0.03 0.00 -2.10 0.00 0.00 70.33 67.47 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 -0.08 -0.27 -0.78 3.08 -1.97 -1.00 114.38 113.36 1xsf h ARG 79 Ca -0.02 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.07 1xsf h ARG 79 Cb 0.07 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1xsf h ARG 79 CO 0.02 -0.05 0.09 1.05 -1.07 0.00 0.00 179.97 180.01 1xsf h GLU 80 N -0.08 0.20 0.08 0.04 4.11 -1.96 0.28 114.58 117.25 1xsf h GLU 80 Ca 0.24 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.66 1xsf h GLU 80 Cb 0.46 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1xsf h GLU 80 CO -0.57 0.13 -0.04 0.93 0.07 0.00 0.00 179.01 179.53 1xsf h GLU 81 N 0.21 -0.11 -0.78 1.06 3.07 -1.83 -2.47 114.58 113.73 1xsf h GLU 81 Ca 0.12 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.97 1xsf h GLU 81 Cb 0.09 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 27.99 1xsf h GLU 81 CO -0.13 0.16 0.42 1.96 -1.40 0.00 0.00 179.01 180.02 1xsf h GLN 82 N -0.37 1.09 -0.57 2.33 4.20 -0.88 -0.79 115.11 120.12 1xsf h GLN 82 Ca -0.01 -0.13 0.02 0.00 0.06 0.00 0.00 58.65 58.59 1xsf h GLN 82 Cb 0.32 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1xsf h GLN 82 CO 0.02 0.81 0.37 0.82 -0.67 0.00 0.00 178.83 180.17 1xsf h ILE 83 N 1.10 1.11 -0.51 2.54 2.04 -0.46 0.13 117.51 123.45 1xsf h ILE 83 Ca 0.28 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.81 1xsf h ILE 83 Cb 0.04 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 1xsf h ILE 83 CO -0.04 0.13 0.02 0.00 0.00 0.00 0.00 178.15 178.26 1xsf h ALA 84 N 1.23 0.68 -0.09 1.87 0.00 -0.70 0.53 119.26 122.78 1xsf h ALA 84 Ca 0.22 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1xsf h ALA 84 Cb -0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1xsf h ALA 84 CO -0.07 0.48 -0.06 0.28 0.00 0.00 0.00 179.25 179.87 1xsf h VAL 85 N 0.75 1.35 -0.15 0.00 2.07 -1.04 -2.44 116.25 116.78 1xsf h VAL 85 Ca 0.15 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 66.55 1xsf h VAL 85 Cb 0.50 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1xsf h VAL 85 CO 0.02 0.32 0.12 0.00 0.02 0.00 0.00 177.57 178.06 1xsf h ALA 86 N 0.60 2.02 -0.64 1.67 0.00 -0.64 -1.58 119.26 120.70 1xsf h ALA 86 Ca 0.02 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xsf h ALA 86 Cb 0.55 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1xsf h ALA 86 CO 0.02 -0.20 0.40 0.93 0.00 0.00 0.00 179.25 180.40 1xsf h GLU 87 N 0.00 0.78 -0.52 0.00 4.39 0.55 0.32 114.58 120.10 1xsf h GLU 87 Ca 0.07 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 1xsf h GLU 87 Cb 0.32 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 1xsf h GLU 87 CO -0.00 0.52 0.22 0.28 -1.16 0.00 0.00 179.01 178.86 1xsf h VAL 88 N 0.80 1.21 -0.24 3.13 2.07 -1.08 -2.99 116.25 119.15 1xsf h VAL 88 Ca 0.25 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1xsf h VAL 88 Cb -0.02 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1xsf h VAL 88 CO -0.08 0.25 0.11 0.74 0.02 0.00 0.00 177.57 178.61 1xsf h THR 89 N 0.71 1.15 0.00 2.57 2.02 -0.90 -2.40 112.91 116.05 1xsf h THR 89 Ca 0.18 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 1xsf h THR 89 Cb 0.19 0.99 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1xsf h THR 89 CO -0.02 0.15 -0.01 0.08 0.37 0.00 0.00 175.52 176.10 1xsf h ARG 90 N 0.26 0.00 -0.28 6.66 0.11 -0.40 0.13 114.38 120.85 1xsf h ARG 90 Ca 0.08 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.07 1xsf h ARG 90 Cb 0.13 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.20 1xsf h ARG 90 CO -0.01 0.01 -0.22 -0.07 0.10 0.00 0.00 179.97 179.78 1xsf h LEU 91 N 0.00 0.53 0.00 0.08 3.38 -1.28 0.21 115.31 118.23 1xsf h LEU 91 Ca -0.00 -0.17 -0.18 0.00 0.09 0.00 0.00 57.88 57.62 1xsf h LEU 91 Cb 0.01 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1xsf h LEU 91 CO 0.00 0.75 -1.06 0.03 0.09 0.00 0.00 178.44 178.25 1xsf h ARG 92 N 0.47 0.00 0.00 1.13 3.08 -0.95 -3.41 114.38 114.71 1xsf h ARG 92 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1xsf h ARG 92 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1xsf h ARG 92 CO 0.05 0.85 -1.15 0.94 -1.07 0.00 0.00 179.97 179.58 1xsf n GLN 93 N -4.47 1.49 0.00 0.04 0.00 0.28 -5.06 117.38 109.65 1xsf n GLN 93 Ca -0.27 -0.07 0.00 0.00 -0.00 0.00 0.00 57.00 56.67 1xsf n GLN 93 Cb 0.60 -1.20 0.00 0.00 0.00 0.00 0.00 30.24 29.64 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 1.59 1.63 1.18 1.69 0.00 0.74 -2.79 105.19 109.23 1xsf n GLY 94 Ca -0.00 -0.35 0.02 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 0.00 0.19 1.61 7.02 -1.26 -4.11 117.44 120.88 1xsf n TRP 95 Ca 0.00 -0.37 0.08 0.00 -1.02 0.00 0.00 57.50 56.19 1xsf n TRP 95 Cb 0.00 -0.05 0.14 0.00 -2.42 0.00 0.00 31.31 28.98 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 0.63 0.00 1.37 6.99 0.00 -1.93 -3.21 103.07 106.93 1xsf h GLY 96 Ca -0.20 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.85 1xsf h GLY 96 CO 0.03 0.00 -1.44 0.00 0.00 0.00 0.00 176.54 175.13 1xsf h ALA 97 N 1.76 0.47 -2.21 3.60 0.00 -1.86 -3.41 119.26 117.62 1xsf h ALA 97 Ca -0.00 -1.18 -0.75 0.00 0.00 0.00 0.00 54.91 52.98 1xsf h ALA 97 Cb 1.14 0.23 -0.25 0.00 0.00 0.00 0.00 17.79 18.91 1xsf h ALA 97 CO 0.03 1.33 -0.26 -1.58 0.00 0.00 0.00 179.25 178.77 1xsf s TRP 98 N -2.64 3.28 0.00 0.00 0.51 -1.21 -5.01 118.94 113.87 1xsf s TRP 98 Ca -0.05 -1.34 0.00 0.00 -2.12 0.00 0.00 56.10 52.59 1xsf s TRP 98 Cb 0.08 -3.66 0.00 0.00 -0.81 0.00 0.00 33.47 29.08 1xsf s TRP 98 CO 0.83 -0.99 0.00 -2.30 -0.51 0.00 0.00 176.95 173.99 1xsf n PRO 99 N 5.19 0.00 0.18 4.98 -0.02 -1.26 -3.59 135.00 140.48 1xsf n PRO 99 Ca -0.13 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.39 1xsf n PRO 99 Cb 0.41 -0.09 0.34 0.00 -0.02 0.00 0.00 33.50 34.13 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 1.13 0.00 -1.45 2.07 -1.95 -2.48 116.25 113.57 1xsf h VAL 100 Ca 0.00 -1.51 -0.09 0.00 0.82 0.00 0.00 66.70 65.92 1xsf h VAL 100 Cb 0.00 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1xsf h VAL 100 CO 0.00 0.41 -0.44 0.00 0.02 0.00 0.00 177.57 177.55 1xsf h ALA 102 N 1.56 0.54 -0.64 0.00 0.00 -1.50 0.11 119.26 119.33 1xsf h ALA 102 Ca -0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1xsf h ALA 102 Cb 0.95 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1xsf h ALA 102 CO 0.06 0.64 0.23 0.00 0.00 0.00 0.00 179.25 180.18 1xsf h ALA 103 N 0.75 1.21 -0.01 0.00 0.00 -1.40 0.54 119.26 120.35 1xsf h ALA 103 Ca 0.05 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 1xsf h ALA 103 Cb 0.98 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1xsf h ALA 103 CO 0.09 0.57 -0.65 0.00 0.00 0.00 0.00 179.25 179.26 1xsf h ARG 104 N 0.92 0.05 0.00 0.00 -0.00 -1.17 -3.33 114.38 110.86 1xsf h ARG 104 Ca 0.21 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.98 59.57 1xsf h ARG 104 Cb 0.22 0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.18 1xsf h ARG 104 CO -0.01 0.68 -1.76 0.00 0.00 0.00 0.00 179.97 178.87 1xsf n ALA 105 N -2.43 2.39 0.00 0.04 0.00 0.36 -4.96 120.51 115.91 1xsf n ALA 105 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1xsf n ALA 105 Cb 0.64 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1xsf n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xsf n GLY 106 N 1.35 0.78 3.75 0.00 0.00 0.17 -4.38 105.19 106.85 1xsf n GLY 106 Ca -0.09 -0.73 -0.38 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 -1.59 2.77 0.00 4.61 0.00 -0.02 -4.90 121.76 122.63 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 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1xsf s ALA 107 CO 0.00 -1.44 0.11 0.54 0.00 0.00 0.00 175.76 174.97