#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 -2.76 2.41 3.04 -2.14 -3.43 116.25 113.37 1xsf h VAL 2 Ca 0.00 -0.54 -0.56 0.00 -1.01 0.00 0.00 66.70 64.60 1xsf h VAL 2 Cb 0.00 1.47 -0.02 0.00 -2.01 0.00 0.00 31.29 30.73 1xsf h VAL 2 CO 0.00 0.00 0.99 -0.69 -1.01 0.00 0.00 177.57 176.86 1xsf s VAL 3 N -3.28 3.91 0.18 1.51 1.01 -1.26 -5.01 120.40 117.47 1xsf s VAL 3 Ca 0.07 1.11 -0.13 0.00 0.00 0.00 0.00 61.98 63.03 1xsf s VAL 3 Cb 0.09 -3.72 -0.07 0.00 0.00 0.00 0.00 36.38 32.69 1xsf s VAL 3 CO 0.55 -0.09 0.56 -0.69 0.00 0.00 0.00 175.10 175.42 1xsf s VAL 4 N 3.72 4.88 -0.41 2.92 1.01 -1.26 -5.06 120.40 126.20 1xsf s VAL 4 Ca 0.64 0.70 -0.12 0.00 0.00 0.00 0.00 61.98 63.20 1xsf s VAL 4 Cb -0.28 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.46 1xsf s VAL 4 CO 0.22 0.11 0.27 0.42 0.00 0.00 0.00 175.10 176.12 1xsf s THR 5 N -1.61 4.77 0.37 3.92 -4.23 -1.26 -5.08 115.64 112.52 1xsf s THR 5 Ca 0.42 -0.95 0.06 0.00 -1.18 0.00 0.00 61.69 60.03 1xsf s THR 5 Cb -0.13 -3.74 -0.00 0.00 1.34 0.00 0.00 72.50 69.96 1xsf s THR 5 CO 0.20 -0.36 0.52 -2.16 -0.54 0.00 0.00 174.62 172.28 1xsf s PRO 6 N 1.57 3.06 -0.16 3.99 0.04 -1.26 -4.99 135.00 137.25 1xsf s PRO 6 Ca 0.03 -0.94 -0.04 0.00 0.04 0.00 0.00 61.00 60.09 1xsf s PRO 6 Cb -0.21 -2.76 -0.10 0.00 0.04 0.00 0.00 34.50 31.47 1xsf s PRO 6 CO 0.07 -0.05 3.08 0.00 0.04 0.00 0.00 177.00 180.14 1xsf n ALA 7 N -1.75 6.06 1.40 8.56 0.00 -1.26 -4.25 120.51 129.28 1xsf n ALA 7 Ca 0.01 -2.01 0.13 0.00 0.00 0.00 0.00 53.44 51.58 1xsf n ALA 7 Cb 0.58 -2.06 0.71 0.00 0.00 0.00 0.00 19.45 18.69 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 1.73 0.00 -1.65 0.00 -0.00 -1.26 -4.87 115.22 109.17 1xsf n HIS 8 Ca 0.39 0.00 -0.46 0.00 -0.00 0.00 0.00 57.72 57.65 1xsf n HIS 8 Cb 0.74 -0.19 -0.03 0.00 -0.00 0.00 0.00 29.99 30.51 1xsf n HIS 8 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1xsf n GLU 9 N -1.19 1.86 -3.02 1.57 0.28 -1.26 -4.94 120.64 113.94 1xsf n GLU 9 Ca 0.15 0.67 -0.16 0.00 -0.16 0.00 0.00 57.16 57.66 1xsf n GLU 9 Cb 0.17 -2.32 -0.03 0.00 1.43 0.00 0.00 31.44 30.70 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 2.16 0.55 -0.02 -1.84 0.00 -1.26 -5.00 120.51 115.09 1xsf n ALA 10 Ca 0.14 -2.29 -0.13 0.00 0.00 0.00 0.00 53.44 51.15 1xsf n ALA 10 Cb 0.29 -1.09 -0.10 0.00 0.00 0.00 0.00 19.45 18.55 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 3.40 1.46 -4.82 0.00 2.07 -2.02 -3.48 116.25 112.86 1xsf h VAL 11 Ca 0.04 -1.36 -0.18 0.00 0.82 0.00 0.00 66.70 66.02 1xsf h VAL 11 Cb 0.97 2.39 0.01 0.00 -1.52 0.00 0.00 31.29 33.14 1xsf h VAL 11 CO 0.32 0.35 -0.75 0.55 0.02 0.00 0.00 177.57 178.06 1xsf n VAL 12 N -4.81 -2.14 -2.77 2.57 3.14 -1.26 -4.84 118.33 108.22 1xsf n VAL 12 Ca -0.09 0.13 -0.42 0.00 -2.96 0.00 0.00 64.34 60.99 1xsf n VAL 12 Cb 0.29 -2.17 -0.03 0.00 -1.06 0.00 0.00 33.84 30.87 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 -1.31 4.12 0.33 1.45 1.70 -1.26 -5.02 118.95 118.95 1xsf s ARG 13 Ca 0.18 1.01 0.08 0.00 -0.47 0.00 0.00 55.73 56.53 1xsf s ARG 13 Cb -0.02 -3.69 -0.03 0.00 -0.57 0.00 0.00 34.95 30.64 1xsf s ARG 13 CO 0.41 -0.69 0.24 0.08 -1.08 0.00 0.00 175.30 174.26 1xsf s VAL 14 N 3.20 3.51 0.00 4.99 1.01 -1.26 -5.02 120.40 126.83 1xsf s VAL 14 Ca 0.40 -1.45 0.00 0.00 0.00 0.00 0.00 61.98 60.92 1xsf s VAL 14 Cb -0.14 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1xsf s VAL 14 CO 0.10 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.62 1xsf n GLY 15 N -1.30 -0.06 0.02 4.51 0.00 -1.26 -5.07 105.19 102.02 1xsf n GLY 15 Ca -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 0.21 -1.90 2.61 -1.04 -1.26 -4.98 114.28 107.92 1xsf n THR 16 Ca 0.00 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.05 61.41 1xsf n THR 16 Cb 0.00 -0.40 -0.03 0.00 -1.82 0.00 0.00 70.33 68.08 1xsf n THR 16 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1xsf s LYS 17 N -2.21 3.15 0.71 -2.82 -0.14 -1.26 -4.97 119.74 112.19 1xsf s LYS 17 Ca -0.02 1.47 -0.04 0.00 -1.36 0.00 0.00 55.97 56.01 1xsf s LYS 17 Cb 0.02 -4.27 0.10 0.00 -1.68 0.00 0.00 37.83 31.99 1xsf s LYS 17 CO 0.21 -2.08 1.00 -1.25 -0.76 0.00 0.00 175.35 172.47 1xsf s PRO 18 N 6.09 1.89 -0.11 -1.68 0.05 -1.26 -5.02 135.00 134.95 1xsf s PRO 18 Ca 0.84 -0.69 0.16 0.00 0.05 0.00 0.00 61.00 61.36 1xsf s PRO 18 Cb -0.23 -2.25 0.25 0.00 0.05 0.00 0.00 34.50 32.31 1xsf s PRO 18 CO 0.32 -1.35 1.13 0.41 0.05 0.00 0.00 177.00 177.55 1xsf n GLY 19 N -2.88 4.30 0.24 0.56 0.00 -1.26 -4.64 105.19 101.52 1xsf n GLY 19 Ca 0.11 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 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 0.82 1.29 -3.68 2.61 2.02 -2.01 -3.44 112.91 110.51 1xsf h THR 20 Ca 0.00 -1.65 -0.29 0.00 0.77 0.00 0.00 66.41 65.24 1xsf h THR 20 Cb 1.03 1.55 -0.16 0.00 -1.74 0.00 0.00 68.15 68.83 1xsf h THR 20 CO 0.00 0.53 -0.72 -1.83 0.37 0.00 0.00 175.52 173.88 1xsf s GLU 21 N -4.22 0.88 -0.38 6.66 -1.05 -1.26 -5.12 118.70 114.20 1xsf s GLU 21 Ca -0.09 -1.26 -0.08 0.00 -0.15 0.00 0.00 54.97 53.38 1xsf s GLU 21 Cb 0.11 -0.45 0.06 0.00 -0.44 0.00 0.00 34.13 33.41 1xsf s GLU 21 CO 0.86 0.05 0.18 0.08 0.95 0.00 0.00 175.26 177.39 1xsf s VAL 22 N -2.96 4.05 0.15 1.83 1.01 -1.26 -4.91 120.40 118.31 1xsf s VAL 22 Ca 0.09 -1.24 -0.34 0.00 0.00 0.00 0.00 61.98 60.49 1xsf s VAL 22 Cb 0.01 -3.38 -0.14 0.00 0.00 0.00 0.00 36.38 32.86 1xsf s VAL 22 CO -0.01 -0.34 1.58 -2.65 0.00 0.00 0.00 175.10 173.68 1xsf n PRO 23 N 4.87 2.12 -1.67 2.72 -0.02 -1.26 -4.88 135.00 136.87 1xsf n PRO 23 Ca -0.11 0.77 -0.43 0.00 -2.02 0.00 0.00 63.50 61.71 1xsf n PRO 23 Cb 0.44 -2.53 -0.01 0.00 -0.02 0.00 0.00 33.50 31.38 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 3.52 1.95 -4.35 0.52 -0.04 -1.26 -4.97 135.00 130.37 1xsf n PRO 24 Ca 0.17 0.68 -0.34 0.00 -0.04 0.00 0.00 63.50 63.98 1xsf n PRO 24 Cb 0.28 -2.23 -0.14 0.00 -0.04 0.00 0.00 33.50 31.38 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 -0.99 3.22 0.32 0.52 1.01 -1.26 -4.98 120.40 118.24 1xsf s VAL 25 Ca 0.57 -0.58 0.29 0.00 0.00 0.00 0.00 61.98 62.27 1xsf s VAL 25 Cb -0.61 -2.41 0.31 0.00 0.00 0.00 0.00 36.38 33.68 1xsf s VAL 25 CO 0.61 0.48 2.03 0.40 0.00 0.00 0.00 175.10 178.62 1xsf h ILE 26 N 5.53 0.41 0.00 2.22 1.08 -2.05 -0.88 117.51 123.82 1xsf h ILE 26 Ca -0.34 -0.61 0.00 0.00 -0.39 0.00 0.00 64.86 63.52 1xsf h ILE 26 Cb 1.18 1.43 0.00 0.00 -3.07 0.00 0.00 36.82 36.37 1xsf h ILE 26 CO 0.59 0.11 0.00 0.47 -0.69 0.00 0.00 178.15 178.63 1xsf n ASP 27 N -3.43 0.00 0.00 1.72 9.92 -1.26 -2.52 116.55 120.98 1xsf n ASP 27 Ca -0.01 -0.72 0.06 0.00 -0.53 0.00 0.00 54.79 53.59 1xsf n ASP 27 Cb 0.28 -0.08 0.29 0.00 -0.64 0.00 0.00 41.12 40.97 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 0.99 -0.92 0.09 0.44 0.00 -0.34 -0.56 105.19 104.90 1xsf n GLY 28 Ca 0.20 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 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 0.20 0.19 1.61 0.02 -1.70 -0.29 113.55 113.58 1xsf h SER 29 Ca 0.00 -0.83 -0.16 0.00 -0.84 0.00 0.00 61.79 59.96 1xsf h SER 29 Cb 0.21 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1xsf h SER 29 CO 0.00 1.01 -0.59 0.16 -1.14 0.00 0.00 176.83 176.27 1xsf h ILE 30 N -0.59 1.35 -0.55 3.27 3.07 -1.66 0.64 117.51 123.04 1xsf h ILE 30 Ca -0.04 -1.90 -0.05 0.00 1.55 0.00 0.00 64.86 64.43 1xsf h ILE 30 Cb 1.06 1.90 -0.03 0.00 -0.27 0.00 0.00 36.82 39.48 1xsf h ILE 30 CO 0.05 0.57 0.14 -0.50 -1.05 0.00 0.00 178.15 177.36 1xsf h TRP 31 N 0.31 0.88 0.01 0.16 -0.00 -0.89 -0.50 115.95 115.92 1xsf h TRP 31 Ca -0.00 -0.08 -0.20 0.00 -0.00 0.00 0.00 58.89 58.61 1xsf h TRP 31 Cb 1.11 -0.26 -0.02 0.00 -0.00 0.00 0.00 29.16 30.00 1xsf h TRP 31 CO 0.04 0.73 -0.93 0.22 -0.00 0.00 0.00 178.44 178.50 1xsf h ASP 32 N 0.82 0.12 0.12 -3.49 3.58 -0.71 -0.56 116.42 116.30 1xsf h ASP 32 Ca 0.18 -0.11 -0.11 0.00 0.42 0.00 0.00 57.03 57.41 1xsf h ASP 32 Cb 0.29 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1xsf h ASP 32 CO -0.00 0.98 -0.39 0.00 -2.88 0.00 0.00 179.24 176.94 1xsf h ALA 33 N 1.01 1.02 -0.39 -0.78 0.00 -0.49 0.39 119.26 120.02 1xsf h ALA 33 Ca -0.03 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 1xsf h ALA 33 Cb 1.61 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1xsf h ALA 33 CO 0.13 0.61 -0.09 0.82 0.00 0.00 0.00 179.25 180.71 1xsf h ILE 34 N 0.31 1.28 -0.64 0.00 2.04 -1.01 -2.42 117.51 117.07 1xsf h ILE 34 Ca 0.03 -1.18 0.06 0.00 1.00 0.00 0.00 64.86 64.77 1xsf h ILE 34 Cb 0.83 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 1xsf h ILE 34 CO 0.07 0.39 0.42 0.00 0.00 0.00 0.00 178.15 179.03 1xsf h ALA 35 N 0.84 1.78 0.00 1.87 0.00 -0.54 0.18 119.26 123.38 1xsf h ALA 35 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xsf h ALA 35 Cb 0.61 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1xsf h ALA 35 CO 0.04 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.82 1xsf n GLY 36 N -1.47 -1.21 0.26 0.00 0.00 0.13 -0.24 105.19 102.66 1xsf n GLY 36 Ca 0.09 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 1xsf n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsf h GLU 38 N -0.85 0.04 0.00 0.00 4.39 -1.04 -3.33 114.58 113.79 1xsf h GLU 38 Ca -0.35 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1xsf h GLU 38 Cb 1.24 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1xsf h GLU 38 CO -0.21 0.71 -0.89 0.00 -1.16 0.00 0.00 179.01 177.46 1xsf n ALA 39 N -2.54 4.24 -1.05 3.43 0.00 -0.65 -4.94 120.51 119.00 1xsf n ALA 39 Ca -0.13 -0.50 -0.02 0.00 0.00 0.00 0.00 53.44 52.79 1xsf n ALA 39 Cb 1.02 -0.65 -0.01 0.00 0.00 0.00 0.00 19.45 19.82 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 0.52 1.38 0.00 0.00 -0.74 -3.54 105.19 104.23 1xsf n GLY 40 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.36 0.63 3.03 -0.02 0.00 0.66 -4.82 105.19 102.33 1xsf n GLY 41 Ca -0.02 -0.31 -0.04 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.58 0.05 1.61 2.47 -1.23 -4.95 114.94 109.62 1xsf s ASN 42 Ca 0.00 -0.40 0.21 0.00 0.42 0.00 0.00 52.86 53.08 1xsf s ASN 42 Cb 0.00 1.53 0.85 0.00 -1.45 0.00 0.00 41.25 42.18 1xsf s ASN 42 CO 0.00 -0.29 1.65 0.79 -3.72 0.00 0.00 177.10 175.53 1xsf n TRP 43 N 5.07 0.19 -0.60 0.43 7.02 -1.26 -1.40 117.44 126.89 1xsf n TRP 43 Ca 0.05 0.07 0.08 0.00 -1.02 0.00 0.00 57.50 56.68 1xsf n TRP 43 Cb 0.52 -0.61 0.28 0.00 -2.42 0.00 0.00 31.31 29.08 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 -1.56 2.82 -1.77 6.99 0.00 -1.26 -3.38 120.51 122.35 1xsf n ALA 44 Ca 0.04 -1.67 -0.38 0.00 0.00 0.00 0.00 53.44 51.43 1xsf n ALA 44 Cb 0.24 -0.77 -0.06 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.89 4.04 -0.37 0.00 2.07 -0.93 -4.84 121.20 119.28 1xsf s ILE 45 Ca 0.41 1.81 0.03 0.00 -1.41 0.00 0.00 60.65 61.49 1xsf s ILE 45 Cb 0.28 -4.05 0.16 0.00 0.13 0.00 0.00 42.46 38.97 1xsf s ILE 45 CO 0.18 0.25 0.38 0.21 -1.91 0.00 0.00 174.94 174.05 1xsf s ASN 46 N -1.42 1.10 0.32 4.50 3.84 -1.26 -0.26 114.94 121.76 1xsf s ASN 46 Ca 0.48 -1.60 0.26 0.00 0.21 0.00 0.00 52.86 52.21 1xsf s ASN 46 Cb -0.22 0.59 0.82 0.00 -0.55 0.00 0.00 41.25 41.88 1xsf s ASN 46 CO 0.28 -0.25 1.75 0.71 -2.79 0.00 0.00 177.10 176.80 1xsf h THR 47 N 5.02 0.00 0.00 -5.21 1.35 -1.96 -3.46 112.91 108.65 1xsf h THR 47 Ca 0.06 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1xsf h THR 47 Cb 1.06 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 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 0.80 0.99 0.04 5.82 0.00 -1.26 -4.97 105.19 106.60 1xsf n GLY 48 Ca 0.04 -0.27 0.13 0.00 0.00 0.00 0.00 46.02 45.91 1xsf n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xsf n ASN 49 N 0.51 0.51 0.00 1.61 2.85 -1.26 -4.89 115.26 114.58 1xsf n ASN 49 Ca 0.00 0.14 0.00 0.00 -0.11 0.00 0.00 54.58 54.61 1xsf n ASN 49 Cb 0.03 -0.07 0.00 0.00 1.24 0.00 0.00 39.78 40.97 1xsf n ASN 49 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xsf n GLY 50 N 1.42 0.71 3.62 8.20 0.00 -1.26 -5.03 105.19 112.85 1xsf n GLY 50 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.25 2.89 0.38 1.61 2.02 -1.26 -1.23 117.35 119.50 1xsf s TYR 51 Ca 0.00 -0.06 0.08 0.00 -0.37 0.00 0.00 57.07 56.72 1xsf s TYR 51 Cb 0.00 -1.56 -0.05 0.00 -0.40 0.00 0.00 41.96 39.95 1xsf s TYR 51 CO 0.00 0.41 0.16 0.71 -1.57 0.00 0.00 175.55 175.26 1xsf s TYR 52 N -1.11 2.64 0.85 2.71 2.02 -0.83 -4.65 117.35 118.98 1xsf s TYR 52 Ca 0.20 -0.49 -0.14 0.00 -0.37 0.00 0.00 57.07 56.28 1xsf s TYR 52 Cb -0.11 -1.80 0.04 0.00 -0.40 0.00 0.00 41.96 39.69 1xsf s TYR 52 CO 0.11 0.26 0.73 0.41 -1.57 0.00 0.00 175.55 175.49 1xsf n GLY 53 N -1.19 -1.18 1.04 0.71 0.00 0.64 -2.18 105.19 103.04 1xsf n GLY 53 Ca -0.02 -0.57 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 1.16 1.03 0.22 -0.02 0.00 -0.49 -4.10 105.19 102.99 1xsf n GLY 54 Ca 0.10 -0.85 0.15 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 0.00 -3.57 1.61 0.31 -1.26 -3.86 118.33 111.56 1xsf n VAL 55 Ca 0.00 -0.12 -0.19 0.00 -0.01 0.00 0.00 64.34 64.02 1xsf n VAL 55 Cb 0.00 -0.02 0.06 0.00 -0.91 0.00 0.00 33.84 32.97 1xsf n VAL 55 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1xsf n GLN 56 N -0.48 -5.49 -4.39 5.55 -0.06 -0.93 -4.82 117.38 106.76 1xsf n GLN 56 Ca 0.21 0.72 -0.24 0.00 -2.00 0.00 0.00 57.00 55.69 1xsf n GLN 56 Cb 0.23 -5.48 -0.09 0.00 -4.06 0.00 0.00 30.24 20.85 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 -3.53 2.49 0.68 3.69 -0.71 -1.25 -4.68 117.98 114.68 1xsf s PHE 57 Ca 0.02 -0.38 -0.11 0.00 -1.04 0.00 0.00 56.93 55.43 1xsf s PHE 57 Cb -0.00 -1.30 -0.00 0.00 -1.21 0.00 0.00 43.02 40.51 1xsf s PHE 57 CO 0.78 0.58 1.05 0.16 -1.34 0.00 0.00 175.22 176.45 1xsf s ASP 58 N -3.64 5.57 0.28 1.98 -4.77 -1.26 -1.96 116.67 112.87 1xsf s ASP 58 Ca 0.33 1.56 -0.01 0.00 -3.30 0.00 0.00 52.55 51.12 1xsf s ASP 58 Cb -0.02 -2.47 0.46 0.00 -1.09 0.00 0.00 42.92 39.80 1xsf s ASP 58 CO 0.18 -1.32 1.89 -0.61 0.70 0.00 0.00 175.17 176.02 1xsf h GLN 59 N -0.63 1.08 -0.01 2.11 5.75 -1.55 -1.00 115.11 120.87 1xsf h GLN 59 Ca -0.44 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 57.99 1xsf h GLN 59 Cb 1.21 -0.24 -0.00 0.00 1.07 0.00 0.00 27.48 29.51 1xsf h GLN 59 CO 0.58 0.72 -0.00 0.78 -2.65 0.00 0.00 178.83 178.26 1xsf h GLY 60 N 1.12 0.01 1.00 2.39 0.00 -1.92 0.36 103.07 106.03 1xsf h GLY 60 Ca 0.42 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.74 1xsf h GLY 60 CO -0.17 0.01 0.35 -0.84 0.00 0.00 0.00 176.54 175.90 1xsf h THR 61 N -0.32 1.17 -0.27 4.70 2.02 -1.92 0.35 112.91 118.63 1xsf h THR 61 Ca 0.00 -0.36 0.04 0.00 0.77 0.00 0.00 66.41 66.86 1xsf h THR 61 Cb 0.34 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1xsf h THR 61 CO 0.00 0.17 0.06 -0.25 0.37 0.00 0.00 175.52 175.87 1xsf h TRP 62 N 0.78 0.10 -0.27 3.16 2.91 -1.04 -1.57 115.95 120.01 1xsf h TRP 62 Ca 0.21 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 60.14 1xsf h TRP 62 Cb -0.03 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 28.60 1xsf h TRP 62 CO -0.02 0.03 -0.25 1.49 -1.03 0.00 0.00 178.44 178.65 1xsf h GLU 63 N 0.16 0.53 -0.47 2.65 4.81 0.18 0.45 114.58 122.89 1xsf h GLU 63 Ca 0.12 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 59.05 1xsf h GLU 63 Cb 0.12 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1xsf h GLU 63 CO -0.16 0.74 -0.07 0.00 -0.73 0.00 0.00 179.01 178.79 1xsf h ALA 64 N 1.26 0.64 0.00 2.92 0.00 0.18 -0.96 119.26 123.30 1xsf h ALA 64 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1xsf h ALA 64 Cb 0.69 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1xsf h ALA 64 CO 0.05 0.51 0.00 0.09 0.00 0.00 0.00 179.25 179.90 1xsf n ASN 65 N -4.28 0.00 -0.44 0.00 5.03 -0.64 -4.91 115.26 110.02 1xsf n ASN 65 Ca 0.00 0.37 0.00 0.00 0.87 0.00 0.00 54.58 55.82 1xsf n ASN 65 Cb 0.36 -0.45 0.00 0.00 -1.02 0.00 0.00 39.78 38.67 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 1.12 0.71 0.22 7.41 0.00 -0.37 -4.96 105.19 109.32 1xsf n GLY 66 Ca 0.08 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.30 -3.28 103.07 101.46 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 -0.97 3.11 4.07 -1.77 0.40 115.31 120.15 1xsf h LEU 68 Ca -0.00 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.85 1xsf h LEU 68 Cb 0.97 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 1xsf h LEU 68 CO 0.00 0.03 -0.50 0.08 -1.08 0.00 0.00 178.44 176.97 1xsf h ARG 69 N 0.00 0.00 0.10 1.13 0.11 -1.97 -2.45 114.38 111.30 1xsf h ARG 69 Ca -0.00 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.82 1xsf h ARG 69 Cb 0.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.16 1xsf h ARG 69 CO 0.00 0.50 -1.19 1.88 0.10 0.00 0.00 179.97 181.26 1xsf h TYR 70 N 0.00 0.44 0.00 4.08 -1.99 -0.58 -3.47 116.97 115.44 1xsf h TYR 70 Ca -0.00 -0.31 0.00 0.00 2.00 0.00 0.00 58.73 60.41 1xsf h TYR 70 Cb 0.92 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.63 1xsf h TYR 70 CO 0.00 1.23 0.00 0.00 -0.00 0.00 0.00 178.16 179.39 1xsf n ALA 71 N -2.51 0.00 0.00 3.88 0.00 0.40 -4.63 120.51 117.64 1xsf n ALA 71 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1xsf n ALA 71 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.45 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 -3.71 0.00 -0.02 -1.09 -3.49 135.00 126.68 1xsf n PRO 72 Ca 0.00 0.08 -0.14 0.00 -2.02 0.00 0.00 63.50 61.43 1xsf n PRO 72 Cb 0.00 -1.51 -0.09 0.00 -0.02 0.00 0.00 33.50 31.87 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 -2.05 0.58 0.59 -0.52 1.70 -1.26 -4.80 118.95 113.19 1xsf s ARG 73 Ca 0.00 0.50 0.36 0.00 -0.47 0.00 0.00 55.73 56.11 1xsf s ARG 73 Cb 0.00 0.28 1.87 0.00 -0.57 0.00 0.00 34.95 36.52 1xsf s ARG 73 CO 0.00 -0.09 2.20 0.00 -1.08 0.00 0.00 175.30 176.32 1xsf h ALA 74 N 5.08 1.15 -0.10 7.88 0.00 -1.86 -0.95 119.26 130.47 1xsf h ALA 74 Ca -0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1xsf h ALA 74 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1xsf h ALA 74 CO 0.25 0.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.15 1xsf n ASP 75 N -3.34 1.36 -0.08 0.00 5.75 -1.25 -3.36 116.55 115.63 1xsf n ASP 75 Ca -0.02 -1.59 -0.10 0.00 -0.01 0.00 0.00 54.79 53.08 1xsf n ASP 75 Cb 0.17 -0.06 -0.10 0.00 -1.03 0.00 0.00 41.12 40.10 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 0.10 1.45 -4.86 -2.12 7.94 -0.41 -4.58 117.00 114.52 1xsf n LEU 76 Ca 0.17 -0.05 -0.31 0.00 -1.11 0.00 0.00 56.01 54.71 1xsf n LEU 76 Cb 0.30 -0.13 -0.00 0.00 0.53 0.00 0.00 43.42 44.12 1xsf n LEU 76 CO 0.14 0.57 0.71 0.00 -1.11 0.00 0.00 177.39 177.69 1xsf s ALA 77 N -2.35 3.08 0.10 1.96 0.00 -0.92 -4.99 121.76 118.64 1xsf s ALA 77 Ca -0.15 0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.83 1xsf s ALA 77 Cb 0.05 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 20.09 1xsf s ALA 77 CO 0.49 -0.55 0.13 0.25 0.00 0.00 0.00 175.76 176.08 1xsf n THR 78 N -2.36 0.00 -0.14 0.00 -2.24 -1.26 -4.81 114.28 103.47 1xsf n THR 78 Ca 0.06 -0.33 -0.05 0.00 -2.27 0.00 0.00 64.05 61.46 1xsf n THR 78 Cb 0.54 -0.88 0.02 0.00 -2.10 0.00 0.00 70.33 67.91 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 -0.12 -0.34 -0.78 3.08 -1.97 0.18 114.38 114.43 1xsf h ARG 79 Ca -0.05 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.05 1xsf h ARG 79 Cb 0.21 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 1xsf h ARG 79 CO 0.07 -0.08 0.13 1.05 -1.07 0.00 0.00 179.97 180.07 1xsf h GLU 80 N -0.12 0.28 0.09 0.04 4.11 -1.96 0.48 114.58 117.49 1xsf h GLU 80 Ca 0.21 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.62 1xsf h GLU 80 Cb 0.45 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1xsf h GLU 80 CO -0.53 0.18 -0.04 0.93 0.07 0.00 0.00 179.01 179.62 1xsf h GLU 81 N 0.29 -0.12 -0.30 1.06 3.07 -1.86 -2.59 114.58 114.13 1xsf h GLU 81 Ca 0.15 0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.95 1xsf h GLU 81 Cb 0.11 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 1xsf h GLU 81 CO -0.14 0.17 -0.08 0.37 -1.40 0.00 0.00 179.01 177.92 1xsf h GLN 82 N -0.40 0.49 -0.35 2.33 4.15 -0.63 -1.07 115.11 119.63 1xsf h GLN 82 Ca -0.01 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.27 1xsf h GLN 82 Cb 0.34 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 1xsf h GLN 82 CO 0.02 0.59 0.19 0.82 -1.93 0.00 0.00 178.83 178.52 1xsf h ILE 83 N 0.46 1.14 -0.23 2.39 2.04 -0.08 -0.73 117.51 122.49 1xsf h ILE 83 Ca 0.09 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1xsf h ILE 83 Cb 0.44 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1xsf h ILE 83 CO 0.02 0.15 0.13 0.00 0.00 0.00 0.00 178.15 178.45 1xsf h ALA 84 N 1.05 0.30 0.02 1.87 0.00 -0.83 0.34 119.26 122.02 1xsf h ALA 84 Ca 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xsf h ALA 84 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1xsf h ALA 84 CO -0.02 -0.18 -0.01 0.28 0.00 0.00 0.00 179.25 179.32 1xsf h VAL 85 N 0.27 1.20 -0.16 0.00 2.07 -1.22 -2.36 116.25 116.06 1xsf h VAL 85 Ca 0.08 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 1xsf h VAL 85 Cb 0.05 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1xsf h VAL 85 CO -0.01 0.18 -0.10 0.00 0.02 0.00 0.00 177.57 177.65 1xsf h ALA 86 N 0.65 1.54 0.00 1.67 0.00 -1.04 -2.01 119.26 120.06 1xsf h ALA 86 Ca -0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1xsf h ALA 86 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1xsf h ALA 86 CO 0.00 0.33 -0.41 1.05 0.00 0.00 0.00 179.25 180.22 1xsf h GLU 87 N 0.23 0.00 -0.54 0.00 -0.00 -0.19 0.42 114.58 114.50 1xsf h GLU 87 Ca 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.40 1xsf h GLU 87 Cb 0.33 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.06 1xsf h GLU 87 CO 0.02 0.41 0.31 0.28 -0.00 0.00 0.00 179.01 180.03 1xsf h VAL 88 N 0.00 1.17 -0.36 -1.06 2.07 -0.82 -2.31 116.25 114.95 1xsf h VAL 88 Ca -0.00 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 1xsf h VAL 88 Cb 0.88 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1xsf h VAL 88 CO 0.05 0.18 -0.04 0.74 0.02 0.00 0.00 177.57 178.52 1xsf h THR 89 N 0.73 1.27 -0.52 2.57 2.02 -1.07 -3.06 112.91 114.85 1xsf h THR 89 Ca 0.19 -1.07 0.01 0.00 0.77 0.00 0.00 66.41 66.32 1xsf h THR 89 Cb 0.02 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1xsf h THR 89 CO -0.03 0.35 0.35 0.08 0.37 0.00 0.00 175.52 176.63 1xsf h ARG 90 N 0.46 0.68 0.00 6.66 0.11 -0.10 -2.32 114.38 119.87 1xsf h ARG 90 Ca 0.10 -0.04 -0.07 0.00 0.10 0.00 0.00 59.98 60.06 1xsf h ARG 90 Cb 0.52 -0.15 -0.01 0.00 1.11 0.00 0.00 29.97 31.44 1xsf h ARG 90 CO 0.03 0.45 -0.34 1.37 0.10 0.00 0.00 179.97 181.57 1xsf h LEU 91 N 0.70 0.00 0.11 0.08 8.10 -1.31 0.56 115.31 123.54 1xsf h LEU 91 Ca 0.19 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 58.00 1xsf h LEU 91 Cb -0.06 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.17 1xsf h LEU 91 CO -0.04 0.34 -0.87 0.03 -4.11 0.00 0.00 178.44 173.79 1xsf h ARG 92 N 0.00 0.24 0.00 0.17 3.08 -1.43 -3.40 114.38 113.03 1xsf h ARG 92 Ca -0.00 -0.41 -0.23 0.00 0.07 0.00 0.00 59.98 59.40 1xsf h ARG 92 Cb 0.99 0.15 -0.04 0.00 0.08 0.00 0.00 29.97 31.14 1xsf h ARG 92 CO 0.04 1.19 -2.03 0.00 -1.07 0.00 0.00 179.97 178.11 1xsf n GLN 93 N -4.15 1.23 -1.33 0.04 10.64 -1.03 -5.03 117.38 117.75 1xsf n GLN 93 Ca -0.17 -0.04 0.00 0.00 -1.83 0.00 0.00 57.00 54.97 1xsf n GLN 93 Cb 0.79 -1.41 0.00 0.00 -0.86 0.00 0.00 30.24 28.76 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 1.92 0.76 2.56 2.61 0.00 0.19 -3.87 105.19 109.37 1xsf n GLY 94 Ca -0.22 -0.35 -0.05 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.09 0.00 0.13 1.61 7.02 -1.22 -4.84 117.44 119.06 1xsf n TRP 95 Ca 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.50 1xsf n TRP 95 Cb 0.29 -1.73 0.37 0.00 -2.42 0.00 0.00 31.31 27.81 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 0.20 2.00 6.99 0.00 -1.89 -2.35 103.07 108.01 1xsf h GLY 96 Ca -0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 1xsf h GLY 96 CO 0.15 0.12 -0.12 0.00 0.00 0.00 0.00 176.54 176.69 1xsf h ALA 97 N 1.61 0.95 -2.46 3.60 0.00 -1.89 -3.40 119.26 117.67 1xsf h ALA 97 Ca 0.03 -0.11 -0.72 0.00 0.00 0.00 0.00 54.91 54.10 1xsf h ALA 97 Cb 0.49 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.04 1xsf h ALA 97 CO 0.03 0.16 -0.41 -1.58 0.00 0.00 0.00 179.25 177.45 1xsf s TRP 98 N -3.34 3.24 0.00 0.00 0.51 -0.88 -5.06 118.94 113.41 1xsf s TRP 98 Ca 0.04 -0.71 0.00 0.00 -2.12 0.00 0.00 56.10 53.31 1xsf s TRP 98 Cb 0.07 -2.75 0.00 0.00 -0.81 0.00 0.00 33.47 29.98 1xsf s TRP 98 CO 0.65 -0.65 0.00 -2.30 -0.51 0.00 0.00 176.95 174.14 1xsf n PRO 99 N 5.16 2.63 0.11 4.98 -0.02 -1.26 -3.93 135.00 142.67 1xsf n PRO 99 Ca -0.11 0.00 0.20 0.00 -2.02 0.00 0.00 63.50 61.56 1xsf n PRO 99 Cb 0.46 0.00 0.76 0.00 -0.02 0.00 0.00 33.50 34.70 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 0.44 -0.98 -1.45 -1.51 -1.97 0.52 116.25 111.30 1xsf h VAL 100 Ca 0.00 0.00 0.08 0.00 -1.23 0.00 0.00 66.70 65.55 1xsf h VAL 100 Cb 0.00 0.71 -0.07 0.00 -2.13 0.00 0.00 31.29 29.80 1xsf h VAL 100 CO 0.00 0.00 0.63 0.00 -1.23 0.00 0.00 177.57 176.97 1xsf h ALA 102 N 1.49 0.29 -0.57 0.00 0.00 -1.01 -0.23 119.26 119.23 1xsf h ALA 102 Ca 0.44 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xsf h ALA 102 Cb 0.25 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1xsf h ALA 102 CO -0.19 0.29 0.35 0.00 0.00 0.00 0.00 179.25 179.71 1xsf h ALA 103 N 0.60 0.72 -0.23 0.00 0.00 -1.43 0.26 119.26 119.18 1xsf h ALA 103 Ca 0.02 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1xsf h ALA 103 Cb 0.87 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1xsf h ALA 103 CO 0.07 0.19 -0.23 0.00 0.00 0.00 0.00 179.25 179.27 1xsf h ARG 104 N 0.76 0.43 0.00 0.00 -0.00 -0.81 -3.12 114.38 111.65 1xsf h ARG 104 Ca 0.20 -0.15 -0.12 0.00 -0.50 0.00 0.00 59.98 59.42 1xsf h ARG 104 Cb -0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 29.97 29.89 1xsf h ARG 104 CO -0.04 0.64 -0.56 0.00 0.00 0.00 0.00 179.97 180.01 1xsf h ALA 105 N 1.37 0.75 0.00 0.04 0.00 -0.10 -3.47 119.26 117.85 1xsf h ALA 105 Ca 0.06 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xsf h ALA 105 Cb 0.62 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xsf h ALA 105 CO 0.04 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.40 1xsf n GLY 106 N 0.81 0.59 3.77 0.00 0.00 -0.05 -4.45 105.19 105.87 1xsf n GLY 106 Ca 0.01 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.84 2.81 0.00 4.61 0.00 -0.45 -4.92 121.76 122.97 1xsf s ALA 107 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1xsf s ALA 107 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1xsf s ALA 107 CO 0.00 -0.69 0.00 2.89 0.00 0.00 0.00 175.76 177.96