#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsf n VAL 2 N 0.00 0.00 -1.58 2.41 3.14 -1.26 -4.89 118.33 116.16 1xsf n VAL 2 Ca 0.00 -0.24 -0.42 0.00 -2.96 0.00 0.00 64.34 60.72 1xsf n VAL 2 Cb 0.00 0.90 -0.03 0.00 -1.06 0.00 0.00 33.84 33.65 1xsf n VAL 2 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1xsf n VAL 3 N -0.08 0.25 -3.03 1.55 0.31 -1.26 -4.95 118.33 111.13 1xsf n VAL 3 Ca 0.12 -0.52 -0.34 0.00 -0.01 0.00 0.00 64.34 63.59 1xsf n VAL 3 Cb 0.43 -2.55 -0.06 0.00 -0.91 0.00 0.00 33.84 30.74 1xsf n VAL 3 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1xsf s VAL 4 N 9.08 4.54 -0.24 2.52 0.11 -1.26 -5.05 120.40 130.09 1xsf s VAL 4 Ca 1.01 1.24 -0.12 0.00 -2.93 0.00 0.00 61.98 61.18 1xsf s VAL 4 Cb -0.34 -3.72 -0.05 0.00 -1.53 0.00 0.00 36.38 30.74 1xsf s VAL 4 CO 0.34 -0.06 0.22 0.28 -3.33 0.00 0.00 175.10 172.55 1xsf s THR 5 N -1.85 5.31 -0.28 5.04 -1.32 -1.26 -5.05 115.64 116.23 1xsf s THR 5 Ca 0.52 0.30 -0.25 0.00 -1.21 0.00 0.00 61.69 61.05 1xsf s THR 5 Cb -0.13 -3.56 0.00 0.00 -1.51 0.00 0.00 72.50 67.31 1xsf s THR 5 CO 0.18 0.30 0.87 -2.16 -2.21 0.00 0.00 174.62 171.61 1xsf s PRO 6 N 1.28 4.07 -1.26 7.08 0.04 -1.26 -4.96 135.00 139.98 1xsf s PRO 6 Ca 0.10 0.84 -0.19 0.00 0.04 0.00 0.00 61.00 61.79 1xsf s PRO 6 Cb -0.14 -3.70 0.06 0.00 0.04 0.00 0.00 34.50 30.75 1xsf s PRO 6 CO 0.06 -0.67 1.73 0.00 0.04 0.00 0.00 177.00 178.16 1xsf s ALA 7 N 3.07 3.14 -0.97 8.56 0.00 -1.26 -4.63 121.76 129.68 1xsf s ALA 7 Ca 0.36 -2.79 0.28 0.00 0.00 0.00 0.00 51.96 49.81 1xsf s ALA 7 Cb -0.14 -4.64 1.15 0.00 0.00 0.00 0.00 23.12 19.49 1xsf s ALA 7 CO 0.11 -3.48 1.88 1.58 0.00 0.00 0.00 175.76 175.85 1xsf n HIS 8 N 8.91 0.10 -3.02 0.00 -0.00 -1.26 -4.69 115.22 115.26 1xsf n HIS 8 Ca 0.47 0.03 -0.41 0.00 -0.00 0.00 0.00 57.72 57.81 1xsf n HIS 8 Cb 0.47 -0.55 -0.05 0.00 -0.00 0.00 0.00 29.99 29.86 1xsf n HIS 8 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1xsf s GLU 9 N -3.01 4.23 -0.51 1.57 2.02 -1.26 -4.96 118.70 116.79 1xsf s GLU 9 Ca 0.13 0.78 0.06 0.00 0.02 0.00 0.00 54.97 55.96 1xsf s GLU 9 Cb 0.18 -3.59 0.37 0.00 0.10 0.00 0.00 34.13 31.19 1xsf s GLU 9 CO 0.51 -0.30 0.99 0.00 0.02 0.00 0.00 175.26 176.48 1xsf n ALA 10 N 5.23 4.59 -0.05 5.21 0.00 -1.26 -4.76 120.51 129.47 1xsf n ALA 10 Ca 0.01 -4.42 -0.12 0.00 0.00 0.00 0.00 53.44 48.91 1xsf n ALA 10 Cb 0.49 -0.69 -0.11 0.00 0.00 0.00 0.00 19.45 19.15 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 2.71 1.46 -4.04 0.00 2.07 -1.99 -3.48 116.25 112.98 1xsf h VAL 11 Ca 0.18 -1.90 -0.07 0.00 0.82 0.00 0.00 66.70 65.73 1xsf h VAL 11 Cb 0.71 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 33.15 1xsf h VAL 11 CO 0.80 0.46 -0.18 0.55 0.02 0.00 0.00 177.57 179.22 1xsf n VAL 12 N -4.70 -0.53 -3.46 2.57 3.14 -1.26 -4.94 118.33 109.16 1xsf n VAL 12 Ca -0.09 0.00 -0.16 0.00 -2.96 0.00 0.00 64.34 61.14 1xsf n VAL 12 Cb 0.37 -0.48 -0.12 0.00 -1.06 0.00 0.00 33.84 32.56 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 -1.46 0.23 0.33 1.45 0.52 -1.26 -5.14 118.95 113.62 1xsf s ARG 13 Ca 0.03 0.28 0.08 0.00 -0.52 0.00 0.00 55.73 55.59 1xsf s ARG 13 Cb -0.00 -1.03 -0.07 0.00 0.52 0.00 0.00 34.95 34.37 1xsf s ARG 13 CO 0.13 -0.65 -0.05 0.08 0.02 0.00 0.00 175.30 174.83 1xsf s VAL 14 N 2.38 1.90 -0.10 3.52 1.01 -1.26 -4.90 120.40 122.95 1xsf s VAL 14 Ca 0.08 -2.12 -0.00 0.00 0.00 0.00 0.00 61.98 59.94 1xsf s VAL 14 Cb -0.16 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 1xsf s VAL 14 CO -0.13 -0.18 0.09 0.61 0.00 0.00 0.00 175.10 175.49 1xsf n GLY 15 N -0.75 0.51 0.17 4.51 0.00 -1.26 -4.96 105.19 103.41 1xsf n GLY 15 Ca -0.05 -0.18 0.06 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.08 0.60 -3.63 2.61 2.02 -2.07 -3.42 112.91 108.94 1xsf h THR 16 Ca -0.05 -1.78 -0.61 0.00 0.77 0.00 0.00 66.41 64.74 1xsf h THR 16 Cb 1.02 2.24 -0.12 0.00 -1.74 0.00 0.00 68.15 69.56 1xsf h THR 16 CO 0.04 0.33 0.46 -1.59 0.37 0.00 0.00 175.52 175.13 1xsf s LYS 17 N -3.10 3.48 0.76 6.66 0.00 -1.26 -5.04 119.74 121.24 1xsf s LYS 17 Ca 0.04 0.04 -0.08 0.00 0.00 0.00 0.00 55.97 55.97 1xsf s LYS 17 Cb 0.07 -3.92 0.09 0.00 0.00 0.00 0.00 37.83 34.07 1xsf s LYS 17 CO 0.71 -1.14 1.08 -1.25 0.00 0.00 0.00 175.35 174.75 1xsf s PRO 18 N 3.48 1.87 0.00 1.78 0.05 -1.26 -4.66 135.00 136.26 1xsf s PRO 18 Ca 0.33 -0.34 0.00 0.00 0.05 0.00 0.00 61.00 61.05 1xsf s PRO 18 Cb -0.11 -2.11 0.00 0.00 0.05 0.00 0.00 34.50 32.32 1xsf s PRO 18 CO 0.24 -1.49 0.00 0.41 0.05 0.00 0.00 177.00 176.21 1xsf n GLY 19 N -3.09 1.24 0.15 0.56 0.00 -1.26 -4.97 105.19 97.82 1xsf n GLY 19 Ca 0.10 -0.32 -0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 1.40 -3.80 2.61 2.02 -2.04 -3.43 112.91 109.67 1xsf h THR 20 Ca 0.00 -1.93 -0.27 0.00 0.77 0.00 0.00 66.41 64.99 1xsf h THR 20 Cb 0.39 2.04 -0.28 0.00 -1.74 0.00 0.00 68.15 68.56 1xsf h THR 20 CO 0.00 0.55 -0.73 -1.61 0.37 0.00 0.00 175.52 174.10 1xsf s GLU 21 N -3.74 0.16 -0.18 6.66 2.02 -1.26 -5.11 118.70 117.25 1xsf s GLU 21 Ca -0.02 -0.07 -0.29 0.00 0.02 0.00 0.00 54.97 54.61 1xsf s GLU 21 Cb 0.13 -0.16 -0.02 0.00 0.10 0.00 0.00 34.13 34.18 1xsf s GLU 21 CO 0.75 0.04 1.46 0.08 0.02 0.00 0.00 175.26 177.62 1xsf s VAL 22 N -0.05 3.93 0.10 2.63 1.01 -1.26 -4.92 120.40 121.84 1xsf s VAL 22 Ca 0.01 1.09 -0.33 0.00 0.00 0.00 0.00 61.98 62.74 1xsf s VAL 22 Cb -0.01 -3.82 -0.12 0.00 0.00 0.00 0.00 36.38 32.43 1xsf s VAL 22 CO -0.00 -0.23 1.73 -2.65 0.00 0.00 0.00 175.10 173.96 1xsf n PRO 23 N 7.17 2.40 -0.97 2.72 -0.02 -1.26 -4.98 135.00 140.06 1xsf n PRO 23 Ca 0.16 0.87 -0.31 0.00 -2.02 0.00 0.00 63.50 62.21 1xsf n PRO 23 Cb 0.45 -2.70 0.14 0.00 -0.02 0.00 0.00 33.50 31.36 1xsf n PRO 23 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1xsf s PRO 24 N 2.14 1.41 0.49 0.52 0.04 -1.26 -5.00 135.00 133.33 1xsf s PRO 24 Ca 0.82 1.26 -0.17 0.00 0.04 0.00 0.00 61.00 62.95 1xsf s PRO 24 Cb -0.61 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.06 1xsf s PRO 24 CO 0.40 -2.27 0.97 0.08 0.04 0.00 0.00 177.00 176.22 1xsf s VAL 25 N -2.77 4.51 0.46 -0.36 1.01 -1.26 -4.94 120.40 117.05 1xsf s VAL 25 Ca 0.64 1.25 0.17 0.00 0.00 0.00 0.00 61.98 64.04 1xsf s VAL 25 Cb -0.20 -3.70 0.35 0.00 0.00 0.00 0.00 36.38 32.83 1xsf s VAL 25 CO 0.57 -0.61 1.98 0.40 0.00 0.00 0.00 175.10 177.44 1xsf h ILE 26 N 1.13 0.84 -0.02 2.22 1.08 -2.00 0.66 117.51 121.41 1xsf h ILE 26 Ca -0.47 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 63.90 1xsf h ILE 26 Cb 1.18 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 35.45 1xsf h ILE 26 CO 0.61 0.05 -0.00 0.47 -0.69 0.00 0.00 178.15 178.60 1xsf n ASP 27 N -4.45 2.49 0.00 1.72 8.00 -1.26 -4.21 116.55 118.84 1xsf n ASP 27 Ca 0.10 -1.74 0.09 0.00 0.71 0.00 0.00 54.79 53.95 1xsf n ASP 27 Cb 0.46 0.00 0.54 0.00 -0.02 0.00 0.00 41.12 42.10 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 1.01 -0.63 0.18 0.44 0.00 0.23 -1.34 105.19 105.09 1xsf n GLY 28 Ca 0.10 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 0.83 -0.17 1.61 0.02 -1.73 0.18 113.55 114.30 1xsf h SER 29 Ca 0.00 -0.69 -0.19 0.00 -0.84 0.00 0.00 61.79 60.06 1xsf h SER 29 Cb 0.00 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.28 1xsf h SER 29 CO 0.00 1.50 -0.62 0.40 -1.14 0.00 0.00 176.83 176.96 1xsf h ILE 30 N 0.34 1.29 -0.18 3.27 1.08 -1.40 -1.64 117.51 120.26 1xsf h ILE 30 Ca -0.13 -1.83 -0.15 0.00 -0.39 0.00 0.00 64.86 62.36 1xsf h ILE 30 Cb 1.73 1.77 -0.01 0.00 -3.07 0.00 0.00 36.82 37.25 1xsf h ILE 30 CO 0.21 0.59 -0.51 -0.50 -0.69 0.00 0.00 178.15 177.24 1xsf h TRP 31 N 0.58 0.63 0.01 1.37 -0.00 -1.45 0.73 115.95 117.82 1xsf h TRP 31 Ca -0.01 -0.21 -0.20 0.00 -0.00 0.00 0.00 58.89 58.47 1xsf h TRP 31 Cb 1.23 -0.12 -0.01 0.00 -0.00 0.00 0.00 29.16 30.25 1xsf h TRP 31 CO 0.07 0.91 -0.91 0.22 -0.00 0.00 0.00 178.44 178.73 1xsf h ASP 32 N 0.40 0.20 -0.15 -3.49 3.58 -0.61 0.55 116.42 116.90 1xsf h ASP 32 Ca 0.02 -0.17 -0.16 0.00 0.42 0.00 0.00 57.03 57.13 1xsf h ASP 32 Cb 1.03 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.01 1xsf h ASP 32 CO 0.09 1.01 -0.47 0.00 -2.88 0.00 0.00 179.24 176.99 1xsf h ALA 33 N 0.97 0.66 -0.39 -0.78 0.00 -1.05 0.86 119.26 119.53 1xsf h ALA 33 Ca -0.04 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 1xsf h ALA 33 Cb 1.57 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1xsf h ALA 33 CO 0.14 0.67 0.08 0.82 0.00 0.00 0.00 179.25 180.96 1xsf h ILE 34 N 0.57 1.23 -0.95 0.00 2.04 -0.77 -1.26 117.51 118.37 1xsf h ILE 34 Ca 0.03 -0.82 0.05 0.00 1.00 0.00 0.00 64.86 65.12 1xsf h ILE 34 Cb 1.03 1.02 -0.06 0.00 -0.74 0.00 0.00 36.82 38.07 1xsf h ILE 34 CO 0.10 0.28 0.62 0.00 0.00 0.00 0.00 178.15 179.15 1xsf h ALA 35 N 0.93 1.44 0.00 1.87 0.00 -0.77 0.12 119.26 122.85 1xsf h ALA 35 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xsf h ALA 35 Cb 0.34 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xsf h ALA 35 CO 0.00 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.10 1xsf n GLY 36 N -1.38 -1.15 0.06 0.00 0.00 0.28 0.10 105.19 103.10 1xsf n GLY 36 Ca 0.14 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.71 0.00 0.00 0.00 5.08 -1.07 -3.35 114.58 114.52 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 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1xsf h GLU 38 CO 0.00 0.39 -1.30 0.00 -1.00 0.00 0.00 179.01 177.10 1xsf n ALA 39 N -2.44 3.11 -0.92 3.43 0.00 -0.52 -4.93 120.51 118.24 1xsf n ALA 39 Ca -0.11 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1xsf n ALA 39 Cb 0.91 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.43 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 1.30 0.49 1.60 0.00 0.00 -0.62 -3.98 105.19 103.98 1xsf n GLY 40 Ca -0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.92 0.57 3.23 -0.02 0.00 0.11 -4.86 105.19 101.30 1xsf n GLY 41 Ca 0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 1xsf n GLY 41 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xsf s ASN 42 N -3.08 -0.38 0.00 1.61 2.47 -1.26 -4.93 114.94 109.37 1xsf s ASN 42 Ca 0.04 0.85 0.23 0.00 0.42 0.00 0.00 52.86 54.40 1xsf s ASN 42 Cb -0.01 0.83 0.10 0.00 -1.45 0.00 0.00 41.25 40.73 1xsf s ASN 42 CO 0.09 -0.20 1.18 0.79 -3.72 0.00 0.00 177.10 175.24 1xsf n TRP 43 N 4.54 0.00 -0.08 0.43 7.02 -1.26 0.34 117.44 128.43 1xsf n TRP 43 Ca -0.20 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.33 1xsf n TRP 43 Cb 0.53 0.00 0.12 0.00 -2.42 0.00 0.00 31.31 29.54 1xsf n TRP 43 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1xsf n ALA 44 N 0.76 2.19 -1.77 6.99 0.00 -1.26 -3.69 120.51 123.72 1xsf n ALA 44 Ca 0.12 -1.05 -0.38 0.00 0.00 0.00 0.00 53.44 52.13 1xsf n ALA 44 Cb 0.54 -0.36 -0.04 0.00 0.00 0.00 0.00 19.45 19.59 1xsf n ALA 44 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1xsf s ILE 45 N -0.97 3.57 -0.42 0.00 2.07 -1.25 -4.82 121.20 119.37 1xsf s ILE 45 Ca 0.18 1.33 0.05 0.00 -1.41 0.00 0.00 60.65 60.80 1xsf s ILE 45 Cb 0.10 -3.75 0.17 0.00 0.13 0.00 0.00 42.46 39.11 1xsf s ILE 45 CO 0.13 0.13 0.47 0.21 -1.91 0.00 0.00 174.94 173.97 1xsf s ASN 46 N -1.30 0.42 0.56 4.50 3.84 -1.26 -0.31 114.94 121.39 1xsf s ASN 46 Ca 0.54 -1.95 0.34 0.00 0.21 0.00 0.00 52.86 52.00 1xsf s ASN 46 Cb -0.26 0.72 1.40 0.00 -0.55 0.00 0.00 41.25 42.56 1xsf s ASN 46 CO 0.33 -0.18 2.00 0.71 -2.79 0.00 0.00 177.10 177.17 1xsf h THR 47 N 4.91 0.00 0.00 -5.21 1.35 -1.95 -3.46 112.91 108.55 1xsf h THR 47 Ca 0.11 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1xsf h THR 47 Cb 1.04 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 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 -0.00 0.85 1.26 5.82 0.00 -1.26 -4.96 105.19 106.89 1xsf n GLY 48 Ca 0.00 -0.42 0.07 0.00 0.00 0.00 0.00 46.02 45.67 1xsf n GLY 48 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xsf n ASN 49 N 0.80 3.69 0.00 1.61 6.94 -1.26 -4.88 115.26 122.16 1xsf n ASN 49 Ca 0.00 -2.31 0.00 0.00 -0.02 0.00 0.00 54.58 52.25 1xsf n ASN 49 Cb 0.03 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 36.96 1xsf n ASN 49 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xsf n GLY 50 N 0.99 1.99 3.69 4.83 0.00 -1.26 -5.01 105.19 110.42 1xsf n GLY 50 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.32 2.89 0.42 1.61 1.51 -1.26 -1.10 117.35 119.10 1xsf s TYR 51 Ca 0.00 -0.12 0.06 0.00 -1.01 0.00 0.00 57.07 56.00 1xsf s TYR 51 Cb 0.00 -1.39 -0.07 0.00 -0.11 0.00 0.00 41.96 40.40 1xsf s TYR 51 CO 0.00 0.53 0.03 0.71 -1.11 0.00 0.00 175.55 175.70 1xsf s TYR 52 N -1.79 2.44 1.01 2.71 1.51 -0.75 -4.57 117.35 117.91 1xsf s TYR 52 Ca 0.28 -0.70 -0.14 0.00 -1.01 0.00 0.00 57.07 55.51 1xsf s TYR 52 Cb -0.09 -1.78 0.09 0.00 -0.11 0.00 0.00 41.96 40.07 1xsf s TYR 52 CO 0.20 0.39 0.44 0.41 -1.11 0.00 0.00 175.55 175.88 1xsf n GLY 53 N -1.03 -1.93 3.40 0.71 0.00 0.58 -2.36 105.19 104.55 1xsf n GLY 53 Ca -0.06 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 1.44 1.29 0.18 -0.02 0.00 0.15 -3.80 105.19 104.44 1xsf n GLY 54 Ca 0.05 -0.62 0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 0.01 -3.69 1.61 0.31 -1.26 -3.99 118.33 111.31 1xsf n VAL 55 Ca 0.00 -0.10 -0.21 0.00 -0.01 0.00 0.00 64.34 64.02 1xsf n VAL 55 Cb 0.00 -0.12 0.03 0.00 -0.91 0.00 0.00 33.84 32.84 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 -0.54 -4.86 -4.51 5.55 7.27 -0.99 -4.87 117.38 114.43 1xsf n GLN 56 Ca 0.21 0.62 -0.26 0.00 0.07 0.00 0.00 57.00 57.64 1xsf n GLN 56 Cb 0.19 -5.17 -0.10 0.00 2.41 0.00 0.00 30.24 27.57 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 -3.67 2.47 0.63 3.69 -0.71 -1.24 -4.65 117.98 114.50 1xsf s PHE 57 Ca 0.01 -0.54 -0.13 0.00 -1.04 0.00 0.00 56.93 55.22 1xsf s PHE 57 Cb -0.00 -1.54 -0.02 0.00 -1.21 0.00 0.00 43.02 40.24 1xsf s PHE 57 CO 0.81 0.51 1.05 0.34 -1.34 0.00 0.00 175.22 176.59 1xsf s ASP 58 N -3.67 5.74 0.23 1.98 2.15 -1.26 -1.81 116.67 120.04 1xsf s ASP 58 Ca 0.34 1.67 -0.06 0.00 0.43 0.00 0.00 52.55 54.93 1xsf s ASP 58 Cb 0.04 -2.51 0.38 0.00 -0.30 0.00 0.00 42.92 40.54 1xsf s ASP 58 CO 0.18 -1.19 1.76 -0.61 -0.17 0.00 0.00 175.17 175.13 1xsf h GLN 59 N -0.08 0.51 -0.04 4.34 5.75 -1.49 -0.03 115.11 124.06 1xsf h GLN 59 Ca -0.45 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.00 1xsf h GLN 59 Cb 1.21 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.64 1xsf h GLN 59 CO 0.58 0.34 -0.02 0.78 -2.65 0.00 0.00 178.83 177.85 1xsf h GLY 60 N 0.53 0.10 1.02 2.39 0.00 -1.93 0.19 103.07 105.37 1xsf h GLY 60 Ca 0.37 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 1xsf h GLY 60 CO -0.32 0.09 0.55 -0.84 0.00 0.00 0.00 176.54 176.01 1xsf h THR 61 N -0.30 1.25 -0.10 4.70 2.02 -1.89 0.76 112.91 119.34 1xsf h THR 61 Ca 0.01 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 1xsf h THR 61 Cb 0.46 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1xsf h THR 61 CO 0.01 0.26 0.05 -0.25 0.37 0.00 0.00 175.52 175.96 1xsf h TRP 62 N 1.24 0.14 -0.32 3.16 2.91 -0.92 -2.22 115.95 119.94 1xsf h TRP 62 Ca 0.32 -0.01 -0.11 0.00 1.13 0.00 0.00 58.89 60.23 1xsf h TRP 62 Cb -0.06 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 28.53 1xsf h TRP 62 CO 0.00 0.19 -0.27 1.05 -1.03 0.00 0.00 178.44 178.38 1xsf h GLU 63 N 0.05 0.65 -0.55 2.65 -0.00 0.11 0.50 114.58 117.99 1xsf h GLU 63 Ca 0.03 -0.27 -0.09 0.00 -0.00 0.00 0.00 59.36 59.04 1xsf h GLU 63 Cb 0.10 -0.03 -0.02 0.00 -0.00 0.00 0.00 28.75 28.80 1xsf h GLU 63 CO -0.01 0.85 0.00 0.00 -0.00 0.00 0.00 179.01 179.86 1xsf h ALA 64 N 1.14 0.75 -0.00 1.06 0.00 0.63 -0.93 119.26 121.91 1xsf h ALA 64 Ca 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1xsf h ALA 64 Cb 0.75 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1xsf h ALA 64 CO 0.06 0.57 -0.07 0.09 0.00 0.00 0.00 179.25 179.89 1xsf n ASN 65 N -4.26 0.47 -0.60 0.00 3.02 -0.85 -4.93 115.26 108.11 1xsf n ASN 65 Ca 0.02 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 1xsf n ASN 65 Cb 0.33 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 1xsf n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xsf n GLY 66 N 1.23 0.62 0.14 7.41 0.00 -0.35 -4.92 105.19 109.31 1xsf n GLY 66 Ca 0.16 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.22 -3.32 103.07 101.51 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 -0.07 1.41 0.00 0.00 0.00 176.54 177.88 1xsf h LEU 68 N 0.00 0.00 -0.77 3.11 3.38 -1.76 0.20 115.31 119.48 1xsf h LEU 68 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1xsf h LEU 68 Cb 0.82 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1xsf h LEU 68 CO 0.00 0.07 -0.53 0.08 0.09 0.00 0.00 178.44 178.14 1xsf h ARG 69 N 0.00 0.23 0.09 1.13 0.11 -1.97 -2.63 114.38 111.34 1xsf h ARG 69 Ca -0.00 -0.14 -0.25 0.00 0.10 0.00 0.00 59.98 59.69 1xsf h ARG 69 Cb 0.29 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.37 1xsf h ARG 69 CO 0.01 0.70 -1.17 1.88 0.10 0.00 0.00 179.97 181.49 1xsf h TYR 70 N 0.18 0.33 0.00 4.08 0.05 -0.96 -3.47 116.97 117.18 1xsf h TYR 70 Ca 0.00 -0.24 0.00 0.00 0.05 0.00 0.00 58.73 58.54 1xsf h TYR 70 Cb 1.00 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.72 1xsf h TYR 70 CO 0.02 1.19 0.00 0.00 -1.05 0.00 0.00 178.16 178.32 1xsf n ALA 71 N -2.48 0.00 0.00 3.88 0.00 0.26 -4.59 120.51 117.58 1xsf n ALA 71 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 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 -3.74 0.00 -0.02 -1.02 -3.51 135.00 126.72 1xsf n PRO 72 Ca 0.00 0.03 -0.13 0.00 -2.02 0.00 0.00 63.50 61.38 1xsf n PRO 72 Cb 0.00 -1.51 -0.10 0.00 -0.02 0.00 0.00 33.50 31.88 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 -1.89 0.52 0.51 -0.52 1.70 -1.26 -4.80 118.95 113.21 1xsf s ARG 73 Ca 0.00 0.37 0.18 0.00 -0.47 0.00 0.00 55.73 55.81 1xsf s ARG 73 Cb 0.00 0.25 1.27 0.00 -0.57 0.00 0.00 34.95 35.89 1xsf s ARG 73 CO 0.00 -0.09 2.11 0.00 -1.08 0.00 0.00 175.30 176.23 1xsf h ALA 74 N 5.09 2.10 -0.16 7.88 0.00 -1.87 -0.92 119.26 131.38 1xsf h ALA 74 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1xsf h ALA 74 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1xsf h ALA 74 CO 0.30 -0.14 0.00 -0.40 0.00 0.00 0.00 179.25 179.01 1xsf n ASP 75 N -4.50 1.30 -0.07 0.00 5.75 -1.25 -2.40 116.55 115.38 1xsf n ASP 75 Ca 0.01 -1.72 -0.07 0.00 -0.01 0.00 0.00 54.79 53.00 1xsf n ASP 75 Cb 0.21 -0.10 -0.11 0.00 -1.03 0.00 0.00 41.12 40.09 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 0.05 -4.88 -2.12 7.94 -0.41 -4.68 117.00 113.01 1xsf n LEU 76 Ca 0.14 -0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.74 1xsf n LEU 76 Cb 0.26 0.34 0.05 0.00 0.53 0.00 0.00 43.42 44.60 1xsf n LEU 76 CO 0.11 0.37 0.75 0.00 -1.11 0.00 0.00 177.39 177.50 1xsf s ALA 77 N -2.35 2.83 0.53 1.96 0.00 -0.83 -4.94 121.76 118.96 1xsf s ALA 77 Ca -0.07 -0.32 0.09 0.00 0.00 0.00 0.00 51.96 51.65 1xsf s ALA 77 Cb 0.04 -3.04 0.09 0.00 0.00 0.00 0.00 23.12 20.22 1xsf s ALA 77 CO 0.59 -1.19 0.74 0.25 0.00 0.00 0.00 175.76 176.15 1xsf n THR 78 N -3.05 0.00 0.00 0.00 -2.24 -1.26 -4.86 114.28 102.87 1xsf n THR 78 Ca 0.07 -1.78 -0.10 0.00 -2.27 0.00 0.00 64.05 59.97 1xsf n THR 78 Cb 0.57 -0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 68.21 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 -0.31 -0.26 -0.78 3.08 -1.96 -0.17 114.38 113.99 1xsf h ARG 79 Ca -0.25 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 1xsf h ARG 79 Cb 1.15 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 1xsf h ARG 79 CO 0.36 -0.21 0.14 1.05 -1.07 0.00 0.00 179.97 180.24 1xsf h GLU 80 N -0.32 0.35 0.02 0.04 9.09 -1.95 0.32 114.58 122.13 1xsf h GLU 80 Ca 0.10 -0.03 -0.00 0.00 0.05 0.00 0.00 59.36 59.48 1xsf h GLU 80 Cb 0.47 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.49 1xsf h GLU 80 CO -0.31 0.25 -0.01 0.93 0.05 0.00 0.00 179.01 179.93 1xsf h GLU 81 N 0.35 -0.03 -0.53 1.06 4.39 -1.71 -1.05 114.58 117.07 1xsf h GLU 81 Ca 0.09 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 1xsf h GLU 81 Cb 0.01 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 1xsf h GLU 81 CO -0.02 0.49 0.28 1.96 -1.16 0.00 0.00 179.01 180.57 1xsf h GLN 82 N -0.56 0.72 -0.11 2.33 4.20 -0.44 -0.53 115.11 120.73 1xsf h GLN 82 Ca -0.00 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.64 1xsf h GLN 82 Cb 0.53 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1xsf h GLN 82 CO 0.00 0.54 0.05 0.82 -0.67 0.00 0.00 178.83 179.57 1xsf h ILE 83 N 0.73 1.00 -0.78 2.54 2.04 -0.34 0.19 117.51 122.88 1xsf h ILE 83 Ca 0.19 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 1xsf h ILE 83 Cb 0.03 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1xsf h ILE 83 CO -0.03 0.02 0.45 0.00 0.00 0.00 0.00 178.15 178.59 1xsf h ALA 84 N 1.05 1.00 -0.09 1.87 0.00 0.22 0.80 119.26 124.11 1xsf h ALA 84 Ca 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1xsf h ALA 84 Cb 0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1xsf h ALA 84 CO -0.03 0.49 -0.07 0.28 0.00 0.00 0.00 179.25 179.92 1xsf h VAL 85 N 1.08 1.35 -0.17 0.00 2.07 -1.04 -2.48 116.25 117.06 1xsf h VAL 85 Ca 0.28 -1.17 0.05 0.00 0.82 0.00 0.00 66.70 66.68 1xsf h VAL 85 Cb -0.00 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1xsf h VAL 85 CO -0.05 0.33 0.13 0.00 0.02 0.00 0.00 177.57 178.00 1xsf h ALA 86 N 0.60 2.11 -0.54 1.67 0.00 -0.32 -1.96 119.26 120.82 1xsf h ALA 86 Ca 0.02 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xsf h ALA 86 Cb 0.56 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1xsf h ALA 86 CO 0.02 -0.21 0.36 0.93 0.00 0.00 0.00 179.25 180.34 1xsf h GLU 87 N 0.00 0.71 -0.18 0.00 4.39 0.11 0.84 114.58 120.45 1xsf h GLU 87 Ca 0.08 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1xsf h GLU 87 Cb 0.33 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1xsf h GLU 87 CO -0.00 0.47 0.07 0.28 -1.16 0.00 0.00 179.01 178.67 1xsf h VAL 88 N 0.73 1.17 -0.05 3.13 2.07 -1.12 -3.05 116.25 119.14 1xsf h VAL 88 Ca 0.20 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.20 1xsf h VAL 88 Cb -0.08 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1xsf h VAL 88 CO -0.04 0.16 -0.00 0.74 0.02 0.00 0.00 177.57 178.45 1xsf h THR 89 N 0.13 0.96 -0.49 2.57 2.02 -0.68 -2.91 112.91 114.51 1xsf h THR 89 Ca 0.06 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 1xsf h THR 89 Cb 0.20 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1xsf h THR 89 CO -0.00 0.00 0.29 0.08 0.37 0.00 0.00 175.52 176.26 1xsf h ARG 90 N 0.02 0.65 0.00 6.66 0.11 0.66 -1.68 114.38 120.79 1xsf h ARG 90 Ca 0.02 -0.05 -0.04 0.00 0.10 0.00 0.00 59.98 60.01 1xsf h ARG 90 Cb 0.03 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 30.96 1xsf h ARG 90 CO -0.04 0.46 -0.21 1.37 0.10 0.00 0.00 179.97 181.65 1xsf h LEU 91 N 0.67 0.00 0.00 0.08 8.10 -1.40 0.33 115.31 123.08 1xsf h LEU 91 Ca 0.18 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.15 1xsf h LEU 91 Cb -0.03 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.19 1xsf h LEU 91 CO -0.03 0.21 -0.09 0.03 -4.11 0.00 0.00 178.44 174.45 1xsf h ARG 92 N 0.00 0.00 0.00 0.17 3.08 -1.24 -3.39 114.38 112.99 1xsf h ARG 92 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xsf h ARG 92 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 1xsf h ARG 92 CO 0.03 0.73 -1.35 0.00 -1.07 0.00 0.00 179.97 178.31 1xsf n GLN 93 N -4.64 0.90 -1.42 0.04 0.00 -1.14 -5.01 117.38 106.11 1xsf n GLN 93 Ca -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 57.00 56.82 1xsf n GLN 93 Cb 0.37 -1.37 0.00 0.00 0.00 0.00 0.00 30.24 29.24 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 0.71 3.45 2.61 0.00 0.11 -3.36 105.19 110.17 1xsf n GLY 94 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.10 0.00 0.45 1.61 7.02 -1.13 -4.81 117.44 119.48 1xsf n TRP 95 Ca 0.00 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.58 1xsf n TRP 95 Cb 0.32 -1.09 0.43 0.00 -2.42 0.00 0.00 31.31 28.55 1xsf n TRP 95 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1xsf n GLY 96 N -1.62 -1.20 0.15 6.99 0.00 -1.21 -1.06 105.19 107.24 1xsf n GLY 96 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.10 1xsf n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsf h ALA 97 N 2.36 0.73 -2.53 4.61 0.00 -1.87 -3.40 119.26 119.16 1xsf h ALA 97 Ca 0.00 -0.37 -0.73 0.00 0.00 0.00 0.00 54.91 53.81 1xsf h ALA 97 Cb 0.34 -0.01 -0.25 0.00 0.00 0.00 0.00 17.79 17.86 1xsf h ALA 97 CO 0.00 0.48 -0.39 -1.58 0.00 0.00 0.00 179.25 177.76 1xsf s TRP 98 N -3.04 3.29 0.00 0.00 0.51 -0.22 -5.02 118.94 114.46 1xsf s TRP 98 Ca 0.03 -1.22 0.00 0.00 -2.12 0.00 0.00 56.10 52.80 1xsf s TRP 98 Cb 0.07 -3.08 0.00 0.00 -0.81 0.00 0.00 33.47 29.65 1xsf s TRP 98 CO 0.74 -0.82 0.04 -2.30 -0.51 0.00 0.00 176.95 174.10 1xsf n PRO 99 N 5.07 0.00 0.17 4.98 -0.02 -1.26 -3.61 135.00 140.33 1xsf n PRO 99 Ca -0.11 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.40 1xsf n PRO 99 Cb 0.43 -0.28 0.30 0.00 -0.02 0.00 0.00 33.50 33.93 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 1.11 0.00 -1.45 2.07 -1.95 -3.26 116.25 112.77 1xsf h VAL 100 Ca 0.00 -1.65 -0.23 0.00 0.82 0.00 0.00 66.70 65.65 1xsf h VAL 100 Cb 0.00 1.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 1xsf h VAL 100 CO 0.00 0.44 -1.60 0.00 0.02 0.00 0.00 177.57 176.43 1xsf h ALA 102 N 1.24 0.26 -0.85 0.00 0.00 -1.62 0.17 119.26 118.47 1xsf h ALA 102 Ca -0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1xsf h ALA 102 Cb 1.78 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.46 1xsf h ALA 102 CO 0.06 0.04 0.48 0.00 0.00 0.00 0.00 179.25 179.83 1xsf h ALA 103 N 0.73 1.26 -0.58 0.00 0.00 -1.71 0.18 119.26 119.13 1xsf h ALA 103 Ca 0.05 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1xsf h ALA 103 Cb 0.50 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1xsf h ALA 103 CO 0.02 0.62 -0.05 0.00 0.00 0.00 0.00 179.25 179.84 1xsf h ARG 104 N 1.18 1.05 0.00 0.00 -0.00 -1.57 -3.13 114.38 111.91 1xsf h ARG 104 Ca 0.30 -0.35 -0.05 0.00 -0.50 0.00 0.00 59.98 59.38 1xsf h ARG 104 Cb -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 29.97 29.87 1xsf h ARG 104 CO -0.05 1.05 -0.22 0.00 0.00 0.00 0.00 179.97 180.75 1xsf h ALA 105 N 0.99 0.89 0.00 0.04 0.00 0.12 -3.47 119.26 117.83 1xsf h ALA 105 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xsf h ALA 105 Cb 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1xsf h ALA 105 CO 0.04 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1xsf n GLY 106 N 0.87 0.65 3.68 0.00 0.00 0.24 -4.31 105.19 106.32 1xsf n GLY 106 Ca 0.02 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 1xsf n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsf n ALA 107 N 0.00 0.73 -0.65 4.61 0.00 0.39 -4.94 120.51 120.66 1xsf n ALA 107 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1xsf n ALA 107 Cb 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.23 1xsf n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04