#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsf h VAL 2 N 0.00 1.26 -3.67 3.53 2.07 -2.09 -3.42 116.25 113.93 1xsf h VAL 2 Ca 0.00 -0.97 -0.51 0.00 0.82 0.00 0.00 66.70 66.04 1xsf h VAL 2 Cb 0.00 0.74 0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1xsf h VAL 2 CO 0.00 0.36 0.52 0.54 0.02 0.00 0.00 177.57 179.00 1xsf s VAL 3 N -5.23 3.50 0.28 2.57 0.11 -1.26 -5.01 120.40 115.36 1xsf s VAL 3 Ca -0.12 1.38 -0.29 0.00 -2.93 0.00 0.00 61.98 60.02 1xsf s VAL 3 Cb 0.13 -3.88 -0.09 0.00 -1.53 0.00 0.00 36.38 31.00 1xsf s VAL 3 CO 0.83 0.28 1.07 -0.69 -3.33 0.00 0.00 175.10 173.25 1xsf s VAL 4 N -0.65 3.60 -0.06 2.04 1.01 -1.26 -5.03 120.40 120.04 1xsf s VAL 4 Ca 0.48 1.60 0.05 0.00 0.00 0.00 0.00 61.98 64.11 1xsf s VAL 4 Cb -0.33 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 1xsf s VAL 4 CO 0.40 0.36 -0.23 0.42 0.00 0.00 0.00 175.10 176.05 1xsf s THR 5 N -1.19 1.93 0.30 3.92 -4.23 -1.26 -5.13 115.64 109.98 1xsf s THR 5 Ca 0.45 -0.99 -0.05 0.00 -1.18 0.00 0.00 61.69 59.92 1xsf s THR 5 Cb -0.30 -1.64 0.07 0.00 1.34 0.00 0.00 72.50 71.97 1xsf s THR 5 CO 0.39 0.54 0.31 -2.65 -0.54 0.00 0.00 174.62 172.66 1xsf n PRO 6 N 3.10 -1.18 -1.84 3.99 -0.02 -1.26 -4.93 135.00 132.86 1xsf n PRO 6 Ca -0.18 -0.49 -0.02 0.00 -2.02 0.00 0.00 63.50 60.79 1xsf n PRO 6 Cb 0.52 -0.41 -0.01 0.00 -0.02 0.00 0.00 33.50 33.58 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 -3.41 -3.11 0.45 3.55 0.00 -1.26 -4.85 120.51 111.88 1xsf n ALA 7 Ca -0.06 0.80 0.07 0.00 0.00 0.00 0.00 53.44 54.25 1xsf n ALA 7 Cb 0.15 -1.61 0.33 0.00 0.00 0.00 0.00 19.45 18.32 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 0.71 0.14 -2.39 0.00 8.25 -1.26 -4.75 115.22 115.92 1xsf n HIS 8 Ca -0.13 0.06 -0.39 0.00 -0.26 0.00 0.00 57.72 57.00 1xsf n HIS 8 Cb 0.20 -0.59 -0.03 0.00 1.12 0.00 0.00 29.99 30.69 1xsf n HIS 8 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1xsf s GLU 9 N -3.06 4.26 -1.34 -0.41 -1.05 -1.26 -4.91 118.70 110.93 1xsf s GLU 9 Ca 0.06 1.78 -0.08 0.00 -0.15 0.00 0.00 54.97 56.58 1xsf s GLU 9 Cb 0.09 -2.81 -0.01 0.00 -0.44 0.00 0.00 34.13 30.96 1xsf s GLU 9 CO 0.27 -0.13 2.77 0.00 0.95 0.00 0.00 175.26 179.12 1xsf n ALA 10 N 0.39 7.14 -0.09 -0.84 0.00 -1.26 -4.12 120.51 121.73 1xsf n ALA 10 Ca 0.03 -3.62 -0.23 0.00 0.00 0.00 0.00 53.44 49.62 1xsf n ALA 10 Cb 0.46 -3.00 -0.12 0.00 0.00 0.00 0.00 19.45 16.79 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 2.62 1.59 -1.39 0.00 0.31 -1.26 -4.49 118.33 115.71 1xsf n VAL 11 Ca 0.69 -0.25 -0.37 0.00 -0.01 0.00 0.00 64.34 64.39 1xsf n VAL 11 Cb 0.30 -1.92 -0.07 0.00 -0.91 0.00 0.00 33.84 31.24 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 -4.13 1.54 -1.84 2.52 0.31 -1.26 -4.88 118.33 110.59 1xsf n VAL 12 Ca -0.36 -1.45 -0.43 0.00 -0.01 0.00 0.00 64.34 62.09 1xsf n VAL 12 Cb 0.81 -2.22 -0.03 0.00 -0.91 0.00 0.00 33.84 31.50 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 5.90 3.47 0.28 5.55 1.70 -1.26 -4.97 118.95 129.62 1xsf s ARG 13 Ca 0.64 1.85 0.10 0.00 -0.47 0.00 0.00 55.73 57.84 1xsf s ARG 13 Cb 0.09 -4.22 -0.05 0.00 -0.57 0.00 0.00 34.95 30.19 1xsf s ARG 13 CO 0.16 -1.71 -0.14 0.08 -1.08 0.00 0.00 175.30 172.61 1xsf s VAL 14 N 6.71 2.11 0.00 4.99 1.01 -1.26 -5.07 120.40 128.89 1xsf s VAL 14 Ca 0.87 -2.27 0.00 0.00 0.00 0.00 0.00 61.98 60.58 1xsf s VAL 14 Cb -0.29 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.72 1xsf s VAL 14 CO 0.34 -0.37 0.00 0.61 0.00 0.00 0.00 175.10 175.68 1xsf n GLY 15 N -0.61 1.62 0.07 4.51 0.00 -1.26 -5.05 105.19 104.47 1xsf n GLY 15 Ca -0.06 -0.39 0.03 0.00 0.00 0.00 0.00 46.02 45.61 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 0.76 -3.09 2.61 -1.04 -1.26 -4.77 114.28 107.50 1xsf n THR 16 Ca 0.00 -0.64 -0.44 0.00 -2.04 0.00 0.00 64.05 60.93 1xsf n THR 16 Cb 0.00 -0.39 -0.05 0.00 -1.82 0.00 0.00 70.33 68.07 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 -3.10 3.09 0.10 -2.82 3.01 -1.26 -5.04 119.74 113.72 1xsf s LYS 17 Ca -0.05 -1.08 -0.30 0.00 -1.01 0.00 0.00 55.97 53.52 1xsf s LYS 17 Cb 0.10 -4.20 -0.05 0.00 -1.01 0.00 0.00 37.83 32.67 1xsf s LYS 17 CO 0.84 -1.47 0.99 -1.25 0.51 0.00 0.00 175.35 174.97 1xsf s PRO 18 N 2.87 4.66 0.00 -1.68 0.04 -1.26 -3.82 135.00 135.81 1xsf s PRO 18 Ca 0.15 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1xsf s PRO 18 Cb -0.21 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 30.95 1xsf s PRO 18 CO 0.09 0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.68 1xsf n GLY 19 N 2.37 3.56 0.34 0.56 0.00 -1.26 -4.83 105.19 105.93 1xsf n GLY 19 Ca 0.03 -0.93 -0.05 0.00 0.00 0.00 0.00 46.02 45.07 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 1.26 -3.84 2.61 2.02 -2.02 -3.44 112.91 109.49 1xsf h THR 20 Ca 0.00 -0.80 -0.24 0.00 0.77 0.00 0.00 66.41 66.14 1xsf h THR 20 Cb 0.00 0.30 -0.16 0.00 -1.74 0.00 0.00 68.15 66.55 1xsf h THR 20 CO 0.00 0.33 -0.71 -1.83 0.37 0.00 0.00 175.52 173.68 1xsf s GLU 21 N -5.56 0.77 -0.45 6.66 -1.05 -1.25 -5.12 118.70 112.70 1xsf s GLU 21 Ca -0.12 -1.20 -0.23 0.00 -0.15 0.00 0.00 54.97 53.27 1xsf s GLU 21 Cb 0.16 -0.24 0.03 0.00 -0.44 0.00 0.00 34.13 33.63 1xsf s GLU 21 CO 0.84 0.00 0.78 0.08 0.95 0.00 0.00 175.26 177.91 1xsf s VAL 22 N -3.08 4.66 0.41 1.83 1.01 -1.26 -4.58 120.40 119.39 1xsf s VAL 22 Ca 0.07 0.39 -0.25 0.00 0.00 0.00 0.00 61.98 62.19 1xsf s VAL 22 Cb 0.02 -4.32 -0.08 0.00 0.00 0.00 0.00 36.38 31.99 1xsf s VAL 22 CO -0.03 -0.72 1.25 -2.84 0.00 0.00 0.00 175.10 172.75 1xsf s PRO 23 N 3.27 3.96 1.06 2.72 0.02 -1.26 -5.04 135.00 139.73 1xsf s PRO 23 Ca 0.29 2.02 -0.13 0.00 0.02 0.00 0.00 61.00 63.20 1xsf s PRO 23 Cb -0.12 -2.69 0.17 0.00 0.02 0.00 0.00 34.50 31.87 1xsf s PRO 23 CO 0.22 -0.45 0.71 -0.35 -0.33 0.00 0.00 177.00 176.81 1xsf n PRO 24 N 0.04 -1.37 -2.43 5.54 -0.04 -1.26 -4.93 135.00 130.54 1xsf n PRO 24 Ca 0.04 -0.36 -0.42 0.00 -0.04 0.00 0.00 63.50 62.72 1xsf n PRO 24 Cb 0.45 -2.06 -0.03 0.00 -0.04 0.00 0.00 33.50 31.82 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 -2.43 4.22 0.11 0.52 0.11 -1.26 -4.93 120.40 116.74 1xsf s VAL 25 Ca 0.63 1.53 -0.16 0.00 -2.93 0.00 0.00 61.98 61.05 1xsf s VAL 25 Cb -0.21 -3.99 -0.04 0.00 -1.53 0.00 0.00 36.38 30.61 1xsf s VAL 25 CO 0.64 -0.03 1.56 0.40 -3.33 0.00 0.00 175.10 174.34 1xsf h ILE 26 N 5.12 1.25 -0.21 7.04 1.08 -2.02 -2.91 117.51 126.87 1xsf h ILE 26 Ca -0.33 -0.93 0.00 0.00 -0.39 0.00 0.00 64.86 63.21 1xsf h ILE 26 Cb 1.15 1.20 0.00 0.00 -3.07 0.00 0.00 36.82 36.09 1xsf h ILE 26 CO 0.90 0.31 0.00 0.47 -0.69 0.00 0.00 178.15 179.14 1xsf n ASP 27 N -4.54 3.14 0.00 1.72 8.00 -1.26 -4.12 116.55 119.49 1xsf n ASP 27 Ca -0.02 -1.96 0.10 0.00 0.71 0.00 0.00 54.79 53.63 1xsf n ASP 27 Cb 0.26 -0.12 0.62 0.00 -0.02 0.00 0.00 41.12 41.85 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 1.34 -0.89 0.19 0.44 0.00 -1.10 -1.93 105.19 103.25 1xsf n GLY 28 Ca 0.16 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 0.88 -0.11 1.61 0.02 -1.72 0.33 113.55 114.57 1xsf h SER 29 Ca 0.00 -0.75 -0.18 0.00 -0.84 0.00 0.00 61.79 60.02 1xsf h SER 29 Cb 0.00 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.27 1xsf h SER 29 CO 0.00 1.53 -0.57 0.40 -1.14 0.00 0.00 176.83 177.04 1xsf h ILE 30 N 0.34 1.30 -0.16 3.27 1.08 -1.56 -0.54 117.51 121.24 1xsf h ILE 30 Ca -0.14 -1.80 -0.17 0.00 -0.39 0.00 0.00 64.86 62.37 1xsf h ILE 30 Cb 1.71 1.74 -0.00 0.00 -3.07 0.00 0.00 36.82 37.19 1xsf h ILE 30 CO 0.20 0.57 -0.60 -0.50 -0.69 0.00 0.00 178.15 177.13 1xsf h TRP 31 N 0.54 0.70 0.04 1.37 -0.00 -1.45 0.23 115.95 117.37 1xsf h TRP 31 Ca 0.00 -0.26 -0.23 0.00 -0.00 0.00 0.00 58.89 58.40 1xsf h TRP 31 Cb 1.15 -0.13 -0.00 0.00 -0.00 0.00 0.00 29.16 30.19 1xsf h TRP 31 CO 0.06 1.01 -1.00 0.22 -0.00 0.00 0.00 178.44 178.73 1xsf h ASP 32 N 0.41 0.39 0.15 -3.49 3.58 -0.30 0.49 116.42 117.65 1xsf h ASP 32 Ca -0.00 -0.34 -0.13 0.00 0.42 0.00 0.00 57.03 56.97 1xsf h ASP 32 Cb 1.16 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.08 1xsf h ASP 32 CO 0.11 1.18 -0.48 0.00 -2.88 0.00 0.00 179.24 177.18 1xsf h ALA 33 N 0.79 0.91 -0.18 -0.78 0.00 -0.92 0.58 119.26 119.66 1xsf h ALA 33 Ca -0.08 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 1xsf h ALA 33 Cb 1.67 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1xsf h ALA 33 CO 0.16 0.65 -0.06 0.82 0.00 0.00 0.00 179.25 180.82 1xsf h ILE 34 N 0.31 1.30 -0.91 0.00 2.04 -0.93 -1.13 117.51 118.19 1xsf h ILE 34 Ca 0.02 -1.07 0.04 0.00 1.00 0.00 0.00 64.86 64.84 1xsf h ILE 34 Cb 0.95 1.64 -0.05 0.00 -0.74 0.00 0.00 36.82 38.62 1xsf h ILE 34 CO 0.08 0.32 0.60 0.00 0.00 0.00 0.00 178.15 179.15 1xsf h ALA 35 N 0.70 1.42 0.00 1.87 0.00 -0.64 0.14 119.26 122.76 1xsf h ALA 35 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xsf h ALA 35 Cb 0.52 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xsf h ALA 35 CO 0.02 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.17 1xsf n GLY 36 N -1.39 -1.40 0.06 0.00 0.00 0.20 -0.12 105.19 102.54 1xsf n GLY 36 Ca 0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.91 0.00 0.00 0.00 5.08 -1.09 -3.35 114.58 114.32 1xsf h GLU 38 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xsf h GLU 38 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1xsf h GLU 38 CO 0.00 0.44 -1.13 0.00 -1.00 0.00 0.00 179.01 177.32 1xsf n ALA 39 N -2.48 4.20 -0.95 3.43 0.00 -0.40 -4.94 120.51 119.36 1xsf n ALA 39 Ca -0.13 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1xsf n ALA 39 Cb 0.96 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.71 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 1.44 0.68 0.87 0.00 0.00 -0.52 -3.59 105.19 104.08 1xsf n GLY 40 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.62 0.63 2.57 -0.02 0.00 0.83 -4.76 105.19 101.82 1xsf n GLY 41 Ca 0.00 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.57 3.58 0.01 1.61 3.04 -1.24 -4.92 114.94 114.45 1xsf s ASN 42 Ca 0.00 -1.41 0.28 0.00 0.04 0.00 0.00 52.86 51.78 1xsf s ASN 42 Cb 0.00 -0.43 1.10 0.00 -1.54 0.00 0.00 41.25 40.38 1xsf s ASN 42 CO 0.00 -0.43 1.84 0.79 -3.04 0.00 0.00 177.10 176.27 1xsf n TRP 43 N 5.10 0.06 -0.13 0.43 7.02 -1.26 -0.91 117.44 127.75 1xsf n TRP 43 Ca -0.04 0.02 0.08 0.00 -1.02 0.00 0.00 57.50 56.53 1xsf n TRP 43 Cb 0.42 -0.49 0.20 0.00 -2.42 0.00 0.00 31.31 29.01 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 -1.52 2.28 -1.77 6.99 0.00 -1.26 -3.49 120.51 121.73 1xsf n ALA 44 Ca 0.07 -1.13 -0.38 0.00 0.00 0.00 0.00 53.44 52.00 1xsf n ALA 44 Cb 0.35 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.04 3.39 -0.31 0.00 2.07 -1.11 -4.87 121.20 119.33 1xsf s ILE 45 Ca 0.31 1.15 0.04 0.00 -1.41 0.00 0.00 60.65 60.73 1xsf s ILE 45 Cb 0.16 -3.64 0.17 0.00 0.13 0.00 0.00 42.46 39.28 1xsf s ILE 45 CO 0.22 0.09 0.46 0.21 -1.91 0.00 0.00 174.94 174.02 1xsf s ASN 46 N -1.25 -0.16 0.42 4.50 3.84 -1.26 -0.56 114.94 120.47 1xsf s ASN 46 Ca 0.56 -0.38 0.23 0.00 0.21 0.00 0.00 52.86 53.47 1xsf s ASN 46 Cb -0.28 1.34 0.81 0.00 -0.55 0.00 0.00 41.25 42.57 1xsf s ASN 46 CO 0.35 -0.32 1.78 0.71 -2.79 0.00 0.00 177.10 176.83 1xsf h THR 47 N 5.95 0.59 0.00 -5.21 1.35 -1.96 -3.47 112.91 110.16 1xsf h THR 47 Ca -0.05 -1.24 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 1xsf h THR 47 Cb 1.14 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.40 1xsf h THR 47 CO 0.22 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 1xsf n GLY 48 N 0.28 0.84 1.06 5.82 0.00 -1.26 -4.97 105.19 106.95 1xsf n GLY 48 Ca 0.00 -0.35 0.07 0.00 0.00 0.00 0.00 46.02 45.74 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 0.65 3.06 0.00 1.61 3.02 -1.26 -4.86 115.26 117.49 1xsf n ASN 49 Ca 0.00 -2.17 0.00 0.00 -0.03 0.00 0.00 54.58 52.38 1xsf n ASN 49 Cb 0.01 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 1xsf n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xsf n GLY 50 N 1.04 2.37 3.57 7.41 0.00 -1.26 -4.99 105.19 113.33 1xsf n GLY 50 Ca 0.17 0.00 -0.31 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 -2.53 2.80 0.42 1.61 2.02 -1.26 -2.29 117.35 118.12 1xsf s TYR 51 Ca 0.00 -0.11 0.07 0.00 -0.37 0.00 0.00 57.07 56.66 1xsf s TYR 51 Cb 0.00 -1.53 -0.03 0.00 -0.40 0.00 0.00 41.96 40.00 1xsf s TYR 51 CO 0.00 0.37 0.28 0.71 -1.57 0.00 0.00 175.55 175.34 1xsf s TYR 52 N -1.07 2.60 0.56 2.71 1.51 -0.50 -4.51 117.35 118.64 1xsf s TYR 52 Ca 0.18 -0.56 -0.09 0.00 -1.01 0.00 0.00 57.07 55.59 1xsf s TYR 52 Cb -0.11 -2.05 0.14 0.00 -0.11 0.00 0.00 41.96 39.83 1xsf s TYR 52 CO 0.10 0.02 0.48 0.41 -1.11 0.00 0.00 175.55 175.45 1xsf n GLY 53 N -1.40 -2.69 7.00 0.71 0.00 0.27 -2.65 105.19 106.43 1xsf n GLY 53 Ca 0.01 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.90 1.79 0.47 -0.02 0.00 -0.09 -2.75 105.19 103.68 1xsf n GLY 54 Ca 0.07 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 0.17 -3.60 1.61 0.31 -1.26 -4.16 118.33 111.40 1xsf n VAL 55 Ca 0.00 -0.29 -0.22 0.00 -0.01 0.00 0.00 64.34 63.82 1xsf n VAL 55 Cb 0.00 0.27 0.04 0.00 -0.91 0.00 0.00 33.84 33.25 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 0.15 -3.77 -4.60 5.55 7.27 -1.09 -4.90 117.38 115.99 1xsf n GLN 56 Ca 0.16 0.64 -0.27 0.00 0.07 0.00 0.00 57.00 57.60 1xsf n GLN 56 Cb 0.29 -5.11 -0.11 0.00 2.41 0.00 0.00 30.24 27.72 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 -3.56 2.42 0.79 3.69 -0.71 -1.21 -4.74 117.98 114.66 1xsf s PHE 57 Ca 0.18 -0.72 -0.12 0.00 -1.04 0.00 0.00 56.93 55.23 1xsf s PHE 57 Cb -0.05 -1.70 0.06 0.00 -1.21 0.00 0.00 43.02 40.12 1xsf s PHE 57 CO 0.80 0.38 1.10 0.16 -1.34 0.00 0.00 175.22 176.33 1xsf s ASP 58 N -3.68 4.64 0.26 1.98 -4.77 -1.26 -1.41 116.67 112.42 1xsf s ASP 58 Ca 0.34 1.23 -0.03 0.00 -3.30 0.00 0.00 52.55 50.79 1xsf s ASP 58 Cb 0.10 -1.96 0.34 0.00 -1.09 0.00 0.00 42.92 40.31 1xsf s ASP 58 CO 0.17 -1.87 1.83 -0.61 0.70 0.00 0.00 175.17 175.39 1xsf h GLN 59 N -1.02 0.96 -0.02 2.11 5.75 -1.84 -1.22 115.11 119.83 1xsf h GLN 59 Ca -0.47 -0.17 -0.00 0.00 -0.15 0.00 0.00 58.65 57.86 1xsf h GLN 59 Cb 1.27 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 29.66 1xsf h GLN 59 CO 0.61 0.81 0.01 0.78 -2.65 0.00 0.00 178.83 178.38 1xsf h GLY 60 N 1.04 0.03 0.95 2.39 0.00 -1.93 0.55 103.07 106.10 1xsf h GLY 60 Ca 0.22 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.50 1xsf h GLY 60 CO -0.01 0.01 0.14 -0.84 0.00 0.00 0.00 176.54 175.84 1xsf h THR 61 N -0.14 1.22 -0.25 4.70 2.02 -1.93 0.26 112.91 118.78 1xsf h THR 61 Ca 0.01 -0.72 0.04 0.00 0.77 0.00 0.00 66.41 66.50 1xsf h THR 61 Cb 0.17 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1xsf h THR 61 CO -0.00 0.26 0.03 -0.25 0.37 0.00 0.00 175.52 175.93 1xsf h TRP 62 N 0.58 0.05 -0.25 3.16 2.91 -0.96 -1.04 115.95 120.40 1xsf h TRP 62 Ca 0.14 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 60.08 1xsf h TRP 62 Cb 0.25 0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 28.90 1xsf h TRP 62 CO 0.01 0.00 -0.26 1.49 -1.03 0.00 0.00 178.44 178.66 1xsf h GLU 63 N 0.12 0.49 -0.57 2.65 4.81 0.29 0.36 114.58 122.74 1xsf h GLU 63 Ca 0.11 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 1xsf h GLU 63 Cb 0.13 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1xsf h GLU 63 CO -0.16 0.71 0.12 0.00 -0.73 0.00 0.00 179.01 178.94 1xsf h ALA 64 N 1.30 0.75 -0.00 2.92 0.00 0.18 -0.95 119.26 123.45 1xsf h ALA 64 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1xsf h ALA 64 Cb 0.68 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1xsf h ALA 64 CO 0.05 0.48 -0.03 0.09 0.00 0.00 0.00 179.25 179.84 1xsf n ASN 65 N -4.36 0.25 -0.72 0.00 5.03 -0.46 -4.91 115.26 110.08 1xsf n ASN 65 Ca 0.03 -0.69 0.00 0.00 0.87 0.00 0.00 54.58 54.78 1xsf n ASN 65 Cb 0.25 -0.10 0.00 0.00 -1.02 0.00 0.00 39.78 38.91 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 1.17 0.57 0.19 7.41 0.00 -0.36 -4.86 105.19 109.31 1xsf n GLY 66 Ca 0.18 -0.43 0.08 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.49 -3.31 103.07 101.25 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 -0.02 1.41 0.00 0.00 0.00 176.54 177.93 1xsf h LEU 68 N 0.00 0.00 -0.97 3.11 4.07 -1.78 0.32 115.31 120.06 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 1.15 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.88 1xsf h LEU 68 CO 0.03 0.02 -0.31 0.08 -1.08 0.00 0.00 178.44 177.18 1xsf h ARG 69 N 0.00 0.38 0.11 1.13 0.11 -1.97 -2.45 114.38 111.69 1xsf h ARG 69 Ca -0.00 -0.15 -0.27 0.00 0.10 0.00 0.00 59.98 59.66 1xsf h ARG 69 Cb 0.10 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.16 1xsf h ARG 69 CO 0.00 0.65 -1.21 1.88 0.10 0.00 0.00 179.97 181.39 1xsf h TYR 70 N 0.33 0.45 0.00 4.08 0.05 -0.73 -3.47 116.97 117.68 1xsf h TYR 70 Ca 0.04 -0.33 0.00 0.00 0.05 0.00 0.00 58.73 58.50 1xsf h TYR 70 Cb 0.71 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.43 1xsf h TYR 70 CO 0.02 1.25 0.00 0.00 -1.05 0.00 0.00 178.16 178.38 1xsf n ALA 71 N -2.52 0.00 0.00 3.88 0.00 0.19 -4.59 120.51 117.48 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 -3.77 0.00 -0.02 -1.12 -3.46 135.00 126.62 1xsf n PRO 72 Ca 0.00 0.14 -0.13 0.00 -2.02 0.00 0.00 63.50 61.49 1xsf n PRO 72 Cb 0.00 -1.51 -0.12 0.00 -0.02 0.00 0.00 33.50 31.85 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 -2.23 0.26 0.53 -0.52 1.70 -1.26 -4.79 118.95 112.64 1xsf s ARG 73 Ca 0.00 0.39 0.20 0.00 -0.47 0.00 0.00 55.73 55.85 1xsf s ARG 73 Cb 0.00 0.07 1.36 0.00 -0.57 0.00 0.00 34.95 35.81 1xsf s ARG 73 CO 0.00 -0.07 2.10 0.00 -1.08 0.00 0.00 175.30 176.26 1xsf h ALA 74 N 6.15 2.13 -0.27 7.88 0.00 -1.88 -1.03 119.26 132.23 1xsf h ALA 74 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1xsf h ALA 74 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1xsf h ALA 74 CO 0.36 -0.23 0.00 -0.40 0.00 0.00 0.00 179.25 178.99 1xsf n ASP 75 N -4.41 1.54 -0.06 0.00 5.75 -1.25 -2.66 116.55 115.45 1xsf n ASP 75 Ca 0.01 -1.95 -0.06 0.00 -0.01 0.00 0.00 54.79 52.78 1xsf n ASP 75 Cb 0.27 -0.18 -0.07 0.00 -1.03 0.00 0.00 41.12 40.11 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 0.32 1.08 -4.86 -2.12 7.94 -0.44 -4.68 117.00 114.25 1xsf n LEU 76 Ca 0.11 -0.03 -0.30 0.00 -1.11 0.00 0.00 56.01 54.68 1xsf n LEU 76 Cb 0.25 -0.01 0.05 0.00 0.53 0.00 0.00 43.42 44.25 1xsf n LEU 76 CO 0.07 0.42 0.73 0.00 -1.11 0.00 0.00 177.39 177.51 1xsf s ALA 77 N -2.25 2.77 0.29 1.96 0.00 -0.88 -4.97 121.76 118.68 1xsf s ALA 77 Ca -0.09 -0.23 0.04 0.00 0.00 0.00 0.00 51.96 51.68 1xsf s ALA 77 Cb 0.04 -3.07 0.05 0.00 0.00 0.00 0.00 23.12 20.13 1xsf s ALA 77 CO 0.37 -1.20 0.38 0.25 0.00 0.00 0.00 175.76 175.56 1xsf n THR 78 N -3.07 0.00 0.14 0.00 -2.24 -1.26 -4.80 114.28 103.05 1xsf n THR 78 Ca 0.07 -0.88 -0.14 0.00 -2.27 0.00 0.00 64.05 60.82 1xsf n THR 78 Cb 0.56 -0.81 -0.07 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 -0.63 -0.90 -0.78 3.08 -1.97 0.26 114.38 113.44 1xsf h ARG 79 Ca -0.13 0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.01 1xsf h ARG 79 Cb 0.58 0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.71 1xsf h ARG 79 CO 0.18 -0.42 0.58 1.05 -1.07 0.00 0.00 179.97 180.29 1xsf h GLU 80 N -0.65 1.07 0.23 0.04 9.09 -1.98 0.41 114.58 122.80 1xsf h GLU 80 Ca 0.01 -0.06 -0.01 0.00 0.05 0.00 0.00 59.36 59.35 1xsf h GLU 80 Cb 0.65 -0.24 0.00 0.00 -1.65 0.00 0.00 28.75 27.51 1xsf h GLU 80 CO -0.18 0.71 -0.11 0.93 0.05 0.00 0.00 179.01 180.40 1xsf h GLU 81 N 1.10 -0.30 -0.67 1.06 3.07 -1.85 -1.66 114.58 115.32 1xsf h GLU 81 Ca 0.37 0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.25 1xsf h GLU 81 Cb 0.06 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.00 1xsf h GLU 81 CO -0.14 -0.09 0.41 1.96 -1.40 0.00 0.00 179.01 179.76 1xsf h GLN 82 N -0.47 0.90 -0.98 2.33 4.20 0.20 -2.18 115.11 119.10 1xsf h GLN 82 Ca -0.03 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.62 1xsf h GLN 82 Cb 0.36 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 27.89 1xsf h GLN 82 CO 0.05 0.63 0.65 0.82 -0.67 0.00 0.00 178.83 180.31 1xsf h ILE 83 N 0.91 1.22 -0.66 2.54 2.04 -0.18 0.40 117.51 123.78 1xsf h ILE 83 Ca 0.24 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1xsf h ILE 83 Cb -0.05 -0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 35.81 1xsf h ILE 83 CO -0.05 0.24 0.33 0.00 0.00 0.00 0.00 178.15 178.67 1xsf h ALA 84 N 1.40 0.85 0.04 1.87 0.00 -0.66 0.40 119.26 123.15 1xsf h ALA 84 Ca 0.37 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1xsf h ALA 84 Cb -0.10 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.43 1xsf h ALA 84 CO -0.09 0.40 -0.02 0.28 0.00 0.00 0.00 179.25 179.81 1xsf h VAL 85 N 0.91 1.29 -0.10 0.00 2.07 -1.05 -2.63 116.25 116.75 1xsf h VAL 85 Ca 0.23 -1.13 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 1xsf h VAL 85 Cb 0.09 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1xsf h VAL 85 CO -0.03 0.28 -0.23 0.00 0.02 0.00 0.00 177.57 177.61 1xsf h ALA 86 N 0.37 1.43 0.00 1.67 0.00 -0.86 -2.22 119.26 119.65 1xsf h ALA 86 Ca -0.01 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1xsf h ALA 86 Cb 0.50 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1xsf h ALA 86 CO 0.01 0.40 -0.47 1.05 0.00 0.00 0.00 179.25 180.24 1xsf h GLU 87 N 0.15 0.00 -0.31 0.00 -0.00 -0.20 0.35 114.58 114.57 1xsf h GLU 87 Ca 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.38 1xsf h GLU 87 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.24 1xsf h GLU 87 CO 0.03 0.47 0.17 0.28 -0.00 0.00 0.00 179.01 179.96 1xsf h VAL 88 N 0.00 1.14 -0.31 -1.06 2.07 -1.02 -2.92 116.25 114.15 1xsf h VAL 88 Ca -0.00 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 1xsf h VAL 88 Cb 0.92 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1xsf h VAL 88 CO 0.06 0.14 0.07 0.74 0.02 0.00 0.00 177.57 178.61 1xsf h THR 89 N 0.38 1.22 -0.59 2.57 2.02 -1.05 -3.01 112.91 114.45 1xsf h THR 89 Ca 0.11 -0.74 0.03 0.00 0.77 0.00 0.00 66.41 66.59 1xsf h THR 89 Cb 0.08 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 1xsf h THR 89 CO -0.02 0.24 0.39 0.08 0.37 0.00 0.00 175.52 176.59 1xsf h ARG 90 N 0.33 0.67 0.00 6.66 0.11 -0.36 -2.43 114.38 119.37 1xsf h ARG 90 Ca 0.10 -0.04 -0.07 0.00 0.10 0.00 0.00 59.98 60.07 1xsf h ARG 90 Cb 0.30 -0.15 -0.01 0.00 1.11 0.00 0.00 29.97 31.22 1xsf h ARG 90 CO 0.00 0.45 -0.32 1.37 0.10 0.00 0.00 179.97 181.57 1xsf h LEU 91 N 0.69 0.00 0.08 0.08 8.10 -1.37 0.43 115.31 123.33 1xsf h LEU 91 Ca 0.24 0.00 -0.23 0.00 0.11 0.00 0.00 57.88 58.00 1xsf h LEU 91 Cb 0.08 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.29 1xsf h LEU 91 CO -0.06 0.32 -1.18 0.03 -4.11 0.00 0.00 178.44 173.44 1xsf h ARG 92 N 0.00 0.18 0.00 0.17 3.08 -1.48 -3.41 114.38 112.92 1xsf h ARG 92 Ca -0.00 -0.30 -0.33 0.00 0.07 0.00 0.00 59.98 59.42 1xsf h ARG 92 Cb 0.98 0.11 -0.06 0.00 0.08 0.00 0.00 29.97 31.08 1xsf h ARG 92 CO 0.04 1.14 -2.25 0.00 -1.07 0.00 0.00 179.97 177.83 1xsf n GLN 93 N -4.10 0.68 -1.36 0.04 10.64 -0.99 -5.02 117.38 117.26 1xsf n GLN 93 Ca -0.24 0.02 0.00 0.00 -1.83 0.00 0.00 57.00 54.95 1xsf n GLN 93 Cb 0.81 -1.56 0.00 0.00 -0.86 0.00 0.00 30.24 28.63 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 1.68 0.63 2.43 2.61 0.00 0.15 -3.93 105.19 108.77 1xsf n GLY 94 Ca -0.28 -0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.94 -0.77 0.14 1.61 7.02 -1.21 -4.85 117.44 118.43 1xsf n TRP 95 Ca 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.47 1xsf n TRP 95 Cb 0.31 -3.65 0.22 0.00 -2.42 0.00 0.00 31.31 25.77 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 0.05 2.00 6.99 0.00 -1.90 -2.90 103.07 107.31 1xsf h GLY 96 Ca -0.45 -0.06 -0.10 0.00 0.00 0.00 0.00 47.33 46.73 1xsf h GLY 96 CO 0.56 0.05 -0.47 0.00 0.00 0.00 0.00 176.54 176.68 1xsf h ALA 97 N 1.42 0.71 -2.37 3.60 0.00 -1.90 -3.40 119.26 117.32 1xsf h ALA 97 Ca -0.00 -0.43 -0.74 0.00 0.00 0.00 0.00 54.91 53.74 1xsf h ALA 97 Cb 0.97 -0.08 -0.25 0.00 0.00 0.00 0.00 17.79 18.43 1xsf h ALA 97 CO 0.07 0.59 -0.33 -1.58 0.00 0.00 0.00 179.25 178.00 1xsf s TRP 98 N -3.01 3.28 0.00 0.00 0.51 -1.10 -5.04 118.94 113.59 1xsf s TRP 98 Ca 0.04 -1.23 0.00 0.00 -2.12 0.00 0.00 56.10 52.79 1xsf s TRP 98 Cb 0.08 -3.33 0.00 0.00 -0.81 0.00 0.00 33.47 29.41 1xsf s TRP 98 CO 0.74 -0.88 0.00 -2.30 -0.51 0.00 0.00 176.95 173.99 1xsf n PRO 99 N 5.13 0.00 0.19 4.98 -0.02 -1.26 -3.86 135.00 140.16 1xsf n PRO 99 Ca -0.12 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.40 1xsf n PRO 99 Cb 0.42 0.00 0.36 0.00 -0.02 0.00 0.00 33.50 34.26 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 1.07 -0.04 -1.45 2.07 -1.96 -3.07 116.25 112.87 1xsf h VAL 100 Ca 0.00 -1.44 -0.16 0.00 0.82 0.00 0.00 66.70 65.93 1xsf h VAL 100 Cb 0.00 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1xsf h VAL 100 CO 0.00 0.38 -0.67 0.00 0.02 0.00 0.00 177.57 177.30 1xsf h ALA 102 N 1.16 0.21 -0.63 0.00 0.00 -1.64 0.12 119.26 118.48 1xsf h ALA 102 Ca -0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1xsf h ALA 102 Cb 1.21 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1xsf h ALA 102 CO 0.10 0.11 0.28 0.00 0.00 0.00 0.00 179.25 179.74 1xsf h ALA 103 N 0.60 1.31 -0.01 0.00 0.00 -1.60 -0.44 119.26 119.12 1xsf h ALA 103 Ca 0.02 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1xsf h ALA 103 Cb 0.70 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1xsf h ALA 103 CO 0.04 0.53 -0.66 0.00 0.00 0.00 0.00 179.25 179.16 1xsf h ARG 104 N 0.90 0.04 0.00 0.00 -0.00 -1.33 -3.20 114.38 110.79 1xsf h ARG 104 Ca 0.22 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.98 59.64 1xsf h ARG 104 Cb 0.13 0.01 -0.00 0.00 0.00 0.00 0.00 29.97 30.10 1xsf h ARG 104 CO -0.02 0.68 -0.35 0.00 0.00 0.00 0.00 179.97 180.28 1xsf h ALA 105 N 1.31 0.83 0.00 0.04 0.00 -0.22 -3.48 119.26 117.74 1xsf h ALA 105 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xsf h ALA 105 Cb 1.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1xsf h ALA 105 CO 0.09 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.93 1xsf n GLY 106 N 1.16 0.66 3.75 0.00 0.00 -0.31 -4.21 105.19 106.24 1xsf n GLY 106 Ca 0.02 -0.81 -0.34 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 -1.06 2.42 0.00 4.61 0.00 -0.43 -4.88 121.76 122.42 1xsf s ALA 107 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.77 1xsf s ALA 107 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1xsf s ALA 107 CO 0.00 -1.34 0.00 0.54 0.00 0.00 0.00 175.76 174.96