#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 -1.71 -1.76 2.41 3.14 -1.26 -4.74 118.33 114.42 1xsf n VAL 2 Ca 0.00 -0.43 -0.37 0.00 -2.96 0.00 0.00 64.34 60.58 1xsf n VAL 2 Cb 0.00 -1.47 -0.03 0.00 -1.06 0.00 0.00 33.84 31.28 1xsf n VAL 2 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1xsf s VAL 3 N -3.92 3.15 0.10 1.55 0.11 -1.26 -4.94 120.40 115.19 1xsf s VAL 3 Ca 0.30 0.09 0.09 0.00 -2.93 0.00 0.00 61.98 59.53 1xsf s VAL 3 Cb -0.17 -3.40 -0.04 0.00 -1.53 0.00 0.00 36.38 31.24 1xsf s VAL 3 CO 0.74 -0.39 -0.22 0.54 -3.33 0.00 0.00 175.10 172.45 1xsf s VAL 4 N 10.91 2.59 -0.18 2.04 0.11 -1.26 -5.12 120.40 129.48 1xsf s VAL 4 Ca 0.85 -1.53 -0.01 0.00 -2.93 0.00 0.00 61.98 58.36 1xsf s VAL 4 Cb -0.15 -2.15 0.05 0.00 -1.53 0.00 0.00 36.38 32.60 1xsf s VAL 4 CO 0.24 0.15 -0.04 0.42 -3.33 0.00 0.00 175.10 172.54 1xsf s THR 5 N -1.06 1.09 -0.52 5.04 -4.23 -1.26 -5.08 115.64 109.62 1xsf s THR 5 Ca 0.16 -0.74 -0.37 0.00 -1.18 0.00 0.00 61.69 59.56 1xsf s THR 5 Cb -0.10 -1.34 -0.15 0.00 1.34 0.00 0.00 72.50 72.24 1xsf s THR 5 CO 0.07 0.02 2.28 -2.65 -0.54 0.00 0.00 174.62 173.80 1xsf n PRO 6 N 4.86 0.52 -3.93 3.99 -0.02 -1.26 -4.92 135.00 134.24 1xsf n PRO 6 Ca -0.11 0.12 -0.24 0.00 -2.02 0.00 0.00 63.50 61.25 1xsf n PRO 6 Cb 0.47 -2.04 -0.05 0.00 -0.02 0.00 0.00 33.50 31.86 1xsf n PRO 6 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xsf s ALA 7 N 7.51 3.87 0.00 3.55 0.00 -1.26 -4.44 121.76 130.99 1xsf s ALA 7 Ca 1.17 -1.88 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1xsf s ALA 7 Cb -1.10 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 21.41 1xsf s ALA 7 CO 0.53 -0.22 0.00 1.58 0.00 0.00 0.00 175.76 177.65 1xsf n HIS 8 N -1.41 0.00 -1.64 0.00 -0.00 -1.26 -4.94 115.22 105.96 1xsf n HIS 8 Ca -0.00 0.00 -0.46 0.00 -0.00 0.00 0.00 57.72 57.26 1xsf n HIS 8 Cb 0.64 -1.03 -0.03 0.00 -0.00 0.00 0.00 29.99 29.57 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 -1.22 1.74 -3.21 1.57 0.28 -1.26 -4.93 120.64 113.61 1xsf n GLU 9 Ca 0.00 0.62 -0.27 0.00 -0.16 0.00 0.00 57.16 57.35 1xsf n GLU 9 Cb 0.17 -2.22 -0.06 0.00 1.43 0.00 0.00 31.44 30.76 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 1.67 4.25 0.10 -1.84 0.00 -1.26 -4.77 120.51 118.65 1xsf n ALA 10 Ca 0.12 -4.69 -0.23 0.00 0.00 0.00 0.00 53.44 48.65 1xsf n ALA 10 Cb 0.29 -0.83 -0.14 0.00 0.00 0.00 0.00 19.45 18.78 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 3.02 1.32 -4.63 0.00 2.07 -2.04 -3.48 116.25 112.51 1xsf h VAL 11 Ca 0.17 -2.51 -0.21 0.00 0.82 0.00 0.00 66.70 64.96 1xsf h VAL 11 Cb 0.61 2.86 0.01 0.00 -1.52 0.00 0.00 31.29 33.25 1xsf h VAL 11 CO 0.82 0.75 -0.71 0.55 0.02 0.00 0.00 177.57 179.00 1xsf n VAL 12 N -3.85 -2.15 -3.59 2.57 3.14 -1.26 -4.91 118.33 108.28 1xsf n VAL 12 Ca -0.15 0.06 -0.40 0.00 -2.96 0.00 0.00 64.34 60.90 1xsf n VAL 12 Cb 0.98 -2.02 -0.11 0.00 -1.06 0.00 0.00 33.84 31.62 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 -1.36 3.25 0.28 1.45 1.70 -1.26 -5.07 118.95 117.94 1xsf s ARG 13 Ca 0.21 -0.80 0.08 0.00 -0.47 0.00 0.00 55.73 54.76 1xsf s ARG 13 Cb -0.02 -3.70 -0.04 0.00 -0.57 0.00 0.00 34.95 30.62 1xsf s ARG 13 CO 0.47 -0.51 0.11 0.08 -1.08 0.00 0.00 175.30 174.37 1xsf s VAL 14 N 1.64 3.69 0.00 4.99 1.01 -1.26 -5.01 120.40 125.45 1xsf s VAL 14 Ca 0.05 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.35 1xsf s VAL 14 Cb -0.18 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1xsf s VAL 14 CO 0.08 -0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.47 1xsf n GLY 15 N -1.07 0.03 0.17 4.51 0.00 -1.26 -5.03 105.19 102.54 1xsf n GLY 15 Ca -0.06 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 45.89 1xsf n GLY 15 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xsf h THR 16 N 0.00 0.29 -1.58 2.61 2.02 -2.07 -3.45 112.91 110.73 1xsf h THR 16 Ca 0.00 -1.44 -0.61 0.00 0.77 0.00 0.00 66.41 65.13 1xsf h THR 16 Cb 0.00 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1xsf h THR 16 CO 0.00 0.17 1.49 0.29 0.37 0.00 0.00 175.52 177.84 1xsf n LYS 17 N -3.04 1.52 -1.84 6.66 4.76 -1.26 -4.96 118.16 120.00 1xsf n LYS 17 Ca 0.01 0.38 -0.30 0.00 -2.87 0.00 0.00 58.31 55.53 1xsf n LYS 17 Cb 0.62 -2.94 0.04 0.00 -1.84 0.00 0.00 35.03 30.91 1xsf n LYS 17 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1xsf s PRO 18 N 6.54 3.03 -0.24 1.97 0.02 -1.26 -5.01 135.00 140.06 1xsf s PRO 18 Ca 1.05 0.58 0.12 0.00 0.02 0.00 0.00 61.00 62.77 1xsf s PRO 18 Cb -0.53 -2.03 0.45 0.00 0.02 0.00 0.00 34.50 32.41 1xsf s PRO 18 CO 0.40 -0.94 1.19 0.41 -0.33 0.00 0.00 177.00 177.73 1xsf n GLY 19 N -2.82 5.03 0.30 0.52 0.00 -1.26 -4.77 105.19 102.20 1xsf n GLY 19 Ca 0.07 -1.88 -0.05 0.00 0.00 0.00 0.00 46.02 44.15 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 2.55 1.22 -3.10 2.61 2.02 -2.02 -3.38 112.91 112.80 1xsf h THR 20 Ca 0.14 -0.51 -0.54 0.00 0.77 0.00 0.00 66.41 66.27 1xsf h THR 20 Cb 1.36 0.18 -0.40 0.00 -1.74 0.00 0.00 68.15 67.55 1xsf h THR 20 CO 0.38 0.23 -0.76 -1.61 0.37 0.00 0.00 175.52 174.13 1xsf s GLU 21 N -5.93 0.54 -0.23 6.66 2.02 -1.26 -5.10 118.70 115.39 1xsf s GLU 21 Ca -0.13 -0.68 -0.29 0.00 0.02 0.00 0.00 54.97 53.89 1xsf s GLU 21 Cb 0.15 -1.82 -0.02 0.00 0.10 0.00 0.00 34.13 32.54 1xsf s GLU 21 CO 0.80 -0.86 1.50 0.54 0.02 0.00 0.00 175.26 177.25 1xsf s VAL 22 N 1.84 3.87 0.60 2.63 0.11 -1.26 -5.00 120.40 123.18 1xsf s VAL 22 Ca 0.06 0.99 -0.18 0.00 -2.93 0.00 0.00 61.98 59.91 1xsf s VAL 22 Cb -0.17 -3.85 -0.03 0.00 -1.53 0.00 0.00 36.38 30.80 1xsf s VAL 22 CO -0.22 -0.33 1.15 -2.84 -3.33 0.00 0.00 175.10 169.53 1xsf s PRO 23 N 4.41 3.04 0.36 1.54 0.02 -1.26 -4.99 135.00 138.11 1xsf s PRO 23 Ca 0.66 1.61 -0.27 0.00 0.02 0.00 0.00 61.00 63.02 1xsf s PRO 23 Cb -0.22 -1.96 -0.12 0.00 0.02 0.00 0.00 34.50 32.22 1xsf s PRO 23 CO 0.26 -1.10 1.25 -0.35 -0.33 0.00 0.00 177.00 176.73 1xsf n PRO 24 N -1.75 1.99 -4.30 5.54 -0.04 -1.26 -4.98 135.00 130.20 1xsf n PRO 24 Ca 0.12 0.70 -0.34 0.00 -0.04 0.00 0.00 63.50 63.94 1xsf n PRO 24 Cb 0.51 -2.29 -0.11 0.00 -0.04 0.00 0.00 33.50 31.57 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 -1.13 4.23 0.07 0.52 1.01 -1.26 -5.00 120.40 118.84 1xsf s VAL 25 Ca 0.57 -0.25 0.23 0.00 0.00 0.00 0.00 61.98 62.53 1xsf s VAL 25 Cb -0.56 -2.84 0.21 0.00 0.00 0.00 0.00 36.38 33.19 1xsf s VAL 25 CO 0.61 0.52 1.76 0.40 0.00 0.00 0.00 175.10 178.39 1xsf h ILE 26 N 4.77 0.57 -0.00 2.22 1.08 -2.02 -2.46 117.51 121.67 1xsf h ILE 26 Ca -0.39 -1.27 0.00 0.00 -0.39 0.00 0.00 64.86 62.82 1xsf h ILE 26 Cb 1.18 1.87 0.00 0.00 -3.07 0.00 0.00 36.82 36.80 1xsf h ILE 26 CO 0.62 0.25 -0.03 0.47 -0.69 0.00 0.00 178.15 178.76 1xsf n ASP 27 N -3.35 0.12 0.00 1.72 9.92 -1.26 -3.07 116.55 120.64 1xsf n ASP 27 Ca 0.01 -0.28 0.05 0.00 -0.53 0.00 0.00 54.79 54.04 1xsf n ASP 27 Cb 0.48 -0.22 0.26 0.00 -0.64 0.00 0.00 41.12 41.00 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 1.28 -0.63 0.13 0.44 0.00 -0.92 -1.34 105.19 104.14 1xsf n GLY 28 Ca 0.15 -0.05 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 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 0.49 0.04 1.61 0.02 -1.77 0.14 113.55 114.08 1xsf h SER 29 Ca 0.00 -0.79 -0.16 0.00 -0.84 0.00 0.00 61.79 60.01 1xsf h SER 29 Cb 0.10 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1xsf h SER 29 CO 0.00 1.21 -0.53 0.40 -1.14 0.00 0.00 176.83 176.77 1xsf h ILE 30 N -0.18 1.32 -0.15 3.27 2.04 -1.46 0.08 117.51 122.42 1xsf h ILE 30 Ca -0.08 -1.77 -0.16 0.00 1.00 0.00 0.00 64.86 63.84 1xsf h ILE 30 Cb 1.32 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 1xsf h ILE 30 CO 0.11 0.55 -0.59 -0.50 0.00 0.00 0.00 178.15 177.72 1xsf h TRP 31 N 0.41 0.63 0.00 1.37 -0.00 -1.35 -1.28 115.95 115.74 1xsf h TRP 31 Ca 0.01 -0.23 -0.17 0.00 -0.00 0.00 0.00 58.89 58.50 1xsf h TRP 31 Cb 1.07 -0.11 -0.02 0.00 -0.00 0.00 0.00 29.16 30.09 1xsf h TRP 31 CO 0.04 0.96 -0.79 0.22 -0.00 0.00 0.00 178.44 178.87 1xsf h ASP 32 N 0.37 0.00 -0.03 -3.49 3.58 -0.54 0.05 116.42 116.37 1xsf h ASP 32 Ca -0.00 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.33 1xsf h ASP 32 Cb 1.14 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.18 1xsf h ASP 32 CO 0.11 0.79 -0.34 0.00 -2.88 0.00 0.00 179.24 176.92 1xsf h ALA 33 N 1.21 0.97 -0.03 -0.78 0.00 -0.76 0.46 119.26 120.33 1xsf h ALA 33 Ca -0.01 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1xsf h ALA 33 Cb 1.46 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1xsf h ALA 33 CO 0.10 0.61 -0.01 0.82 0.00 0.00 0.00 179.25 180.77 1xsf h ILE 34 N 0.43 1.30 -0.89 0.00 2.04 -1.06 -0.97 117.51 118.37 1xsf h ILE 34 Ca 0.05 -0.93 0.03 0.00 1.00 0.00 0.00 64.86 65.01 1xsf h ILE 34 Cb 0.80 1.86 -0.05 0.00 -0.74 0.00 0.00 36.82 38.69 1xsf h ILE 34 CO 0.06 0.25 0.58 0.00 0.00 0.00 0.00 178.15 179.04 1xsf h ALA 35 N 0.64 1.16 0.00 1.87 0.00 -0.82 0.55 119.26 122.65 1xsf h ALA 35 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xsf h ALA 35 Cb 0.41 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xsf h ALA 35 CO 0.00 0.46 0.00 0.78 0.00 0.00 0.00 179.25 180.49 1xsf h GLY 36 N 1.14 0.00 0.00 0.00 0.00 -0.07 0.15 103.07 104.29 1xsf h GLY 36 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1xsf h GLY 36 CO -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 176.54 176.29 1xsf h GLU 38 N -0.71 0.10 0.00 0.00 4.81 -1.09 -3.32 114.58 114.37 1xsf h GLU 38 Ca 0.00 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1xsf h GLU 38 Cb 0.15 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1xsf h GLU 38 CO 0.00 0.77 -0.69 0.00 -0.73 0.00 0.00 179.01 178.36 1xsf n ALA 39 N -2.67 3.43 -0.90 2.92 0.00 -0.66 -4.91 120.51 117.71 1xsf n ALA 39 Ca -0.20 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1xsf n ALA 39 Cb 1.04 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 1.43 0.75 0.95 0.00 0.00 -0.77 -3.64 105.19 103.91 1xsf n GLY 40 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1xsf n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xsf n GLY 41 N -2.44 0.79 2.68 -0.02 0.00 0.43 -4.79 105.19 101.83 1xsf n GLY 41 Ca 0.00 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.54 2.11 0.18 1.61 3.04 -1.24 -4.94 114.94 113.18 1xsf s ASN 42 Ca 0.00 -1.23 0.26 0.00 0.04 0.00 0.00 52.86 51.93 1xsf s ASN 42 Cb 0.00 0.23 0.88 0.00 -1.54 0.00 0.00 41.25 40.81 1xsf s ASN 42 CO 0.00 -0.36 1.79 0.79 -3.04 0.00 0.00 177.10 176.28 1xsf n TRP 43 N 4.90 0.80 -0.55 0.43 7.02 -1.26 -0.84 117.44 127.93 1xsf n TRP 43 Ca 0.02 0.24 0.08 0.00 -1.02 0.00 0.00 57.50 56.81 1xsf n TRP 43 Cb 0.44 -0.89 0.25 0.00 -2.42 0.00 0.00 31.31 28.69 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 -1.75 2.68 -1.78 6.99 0.00 -1.26 -3.15 120.51 122.25 1xsf n ALA 44 Ca 0.05 -1.62 -0.37 0.00 0.00 0.00 0.00 53.44 51.51 1xsf n ALA 44 Cb 0.40 -0.70 -0.06 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.77 4.01 -0.41 0.00 2.07 -1.12 -4.83 121.20 119.14 1xsf s ILE 45 Ca 0.38 1.65 0.05 0.00 -1.41 0.00 0.00 60.65 61.31 1xsf s ILE 45 Cb 0.25 -3.90 0.17 0.00 0.13 0.00 0.00 42.46 39.10 1xsf s ILE 45 CO 0.17 0.11 0.46 0.21 -1.91 0.00 0.00 174.94 173.99 1xsf s ASN 46 N -1.55 0.42 0.44 4.50 3.84 -1.26 -0.06 114.94 121.27 1xsf s ASN 46 Ca 0.52 -1.76 0.22 0.00 0.21 0.00 0.00 52.86 52.05 1xsf s ASN 46 Cb -0.21 0.80 1.01 0.00 -0.55 0.00 0.00 41.25 42.30 1xsf s ASN 46 CO 0.26 -0.20 1.89 0.71 -2.79 0.00 0.00 177.10 176.97 1xsf h THR 47 N 4.95 0.76 0.00 -5.21 1.35 -1.96 -3.46 112.91 109.33 1xsf h THR 47 Ca 0.09 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 1xsf h THR 47 Cb 1.06 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 1xsf h THR 47 CO 0.18 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.31 1xsf n GLY 48 N -0.22 1.15 0.04 5.82 0.00 -1.26 -4.97 105.19 105.74 1xsf n GLY 48 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.15 0.00 1.61 4.13 -1.26 -4.85 115.26 115.05 1xsf n ASN 49 Ca 0.00 -0.48 0.00 0.00 1.68 0.00 0.00 54.58 55.78 1xsf n ASN 49 Cb 0.00 -0.16 0.00 0.00 -1.54 0.00 0.00 39.78 38.08 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 1.22 1.62 3.82 7.41 0.00 -1.26 -5.03 105.19 112.96 1xsf n GLY 50 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.34 3.39 0.33 1.61 2.02 -1.26 -1.67 117.35 119.43 1xsf s TYR 51 Ca 0.00 0.28 0.08 0.00 -0.37 0.00 0.00 57.07 57.06 1xsf s TYR 51 Cb 0.00 -1.78 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 1xsf s TYR 51 CO 0.00 0.59 0.22 0.71 -1.57 0.00 0.00 175.55 175.50 1xsf s TYR 52 N -1.21 2.82 1.25 2.71 1.51 -1.10 -4.59 117.35 118.75 1xsf s TYR 52 Ca 0.23 -0.33 -0.17 0.00 -1.01 0.00 0.00 57.07 55.80 1xsf s TYR 52 Cb -0.12 -1.71 0.29 0.00 -0.11 0.00 0.00 41.96 40.31 1xsf s TYR 52 CO 0.14 0.27 0.78 0.41 -1.11 0.00 0.00 175.55 176.04 1xsf n GLY 53 N -1.26 -2.66 2.96 0.71 0.00 0.92 -2.56 105.19 103.29 1xsf n GLY 53 Ca -0.03 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 1.50 1.26 0.11 -0.02 0.00 -0.02 -3.53 105.19 104.49 1xsf n GLY 54 Ca 0.05 -0.69 0.15 0.00 0.00 0.00 0.00 46.02 45.53 1xsf n GLY 54 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xsf n VAL 55 N 0.00 0.00 -3.81 1.61 0.24 -1.26 -4.13 118.33 110.98 1xsf n VAL 55 Ca 0.00 -0.06 -0.25 0.00 -2.04 0.00 0.00 64.34 61.99 1xsf n VAL 55 Cb 0.00 -0.20 0.01 0.00 -1.47 0.00 0.00 33.84 32.18 1xsf n VAL 55 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1xsf n GLN 56 N -0.85 -3.37 -4.10 7.34 7.27 -1.06 -4.89 117.38 117.72 1xsf n GLN 56 Ca 0.18 0.49 -0.23 0.00 0.07 0.00 0.00 57.00 57.51 1xsf n GLN 56 Cb 0.23 -4.66 -0.05 0.00 2.41 0.00 0.00 30.24 28.17 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 -3.77 3.13 0.45 3.69 -0.71 -1.24 -4.67 117.98 114.86 1xsf s PHE 57 Ca 0.10 -0.08 -0.24 0.00 -1.04 0.00 0.00 56.93 55.67 1xsf s PHE 57 Cb -0.03 -1.44 -0.08 0.00 -1.21 0.00 0.00 43.02 40.27 1xsf s PHE 57 CO 0.86 0.52 1.31 0.34 -1.34 0.00 0.00 175.22 176.91 1xsf s ASP 58 N -3.62 5.98 0.45 1.98 2.15 -1.26 -2.71 116.67 119.64 1xsf s ASP 58 Ca 0.32 2.66 0.14 0.00 0.43 0.00 0.00 52.55 56.10 1xsf s ASP 58 Cb -0.09 -2.63 1.02 0.00 -0.30 0.00 0.00 42.92 40.92 1xsf s ASP 58 CO 0.24 -1.07 2.01 -0.61 -0.17 0.00 0.00 175.17 175.57 1xsf h GLN 59 N 2.24 0.04 -0.41 4.34 5.75 -1.68 0.88 115.11 126.27 1xsf h GLN 59 Ca -0.50 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 57.95 1xsf h GLN 59 Cb 1.26 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.79 1xsf h GLN 59 CO 0.61 0.18 0.09 0.78 -2.65 0.00 0.00 178.83 177.83 1xsf h GLY 60 N 0.49 0.72 1.14 2.39 0.00 -1.91 0.53 103.07 106.42 1xsf h GLY 60 Ca 0.01 -0.46 -0.19 0.00 0.00 0.00 0.00 47.33 46.69 1xsf h GLY 60 CO 0.02 0.43 -0.55 -0.84 0.00 0.00 0.00 176.54 175.60 1xsf h THR 61 N 0.53 1.27 -0.50 4.70 2.02 -1.67 0.27 112.91 119.53 1xsf h THR 61 Ca 0.13 -1.73 0.07 0.00 0.77 0.00 0.00 66.41 65.65 1xsf h THR 61 Cb 0.34 1.65 -0.06 0.00 -1.74 0.00 0.00 68.15 68.33 1xsf h THR 61 CO 0.00 0.56 0.18 -0.25 0.37 0.00 0.00 175.52 176.39 1xsf h TRP 62 N 0.66 0.31 -0.29 3.16 2.91 0.90 -0.85 115.95 122.74 1xsf h TRP 62 Ca 0.01 0.03 -0.10 0.00 1.13 0.00 0.00 58.89 59.96 1xsf h TRP 62 Cb 1.16 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 29.73 1xsf h TRP 62 CO 0.07 0.10 -0.23 1.49 -1.03 0.00 0.00 178.44 178.84 1xsf h GLU 63 N 0.35 0.54 -0.64 2.65 4.81 0.18 0.35 114.58 122.83 1xsf h GLU 63 Ca 0.24 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 1xsf h GLU 63 Cb 0.26 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 1xsf h GLU 63 CO -0.25 0.74 0.13 0.00 -0.73 0.00 0.00 179.01 178.90 1xsf h ALA 64 N 1.27 0.85 -0.00 2.92 0.00 -0.01 -1.34 119.26 122.95 1xsf h ALA 64 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xsf h ALA 64 Cb 0.67 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1xsf h ALA 64 CO 0.05 0.59 -0.06 0.09 0.00 0.00 0.00 179.25 179.91 1xsf n ASN 65 N -4.28 0.13 -0.49 0.00 3.02 -0.41 -4.93 115.26 108.30 1xsf n ASN 65 Ca 0.04 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1xsf n ASN 65 Cb 0.27 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 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 1.37 0.71 0.18 7.41 0.00 -0.50 -4.92 105.19 109.44 1xsf n GLY 66 Ca 0.11 -0.37 0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.53 -3.32 103.07 101.20 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 -0.01 1.41 0.00 0.00 0.00 176.54 177.94 1xsf h LEU 68 N 0.00 0.00 -0.97 3.11 4.07 -1.77 0.26 115.31 120.01 1xsf h LEU 68 Ca -0.00 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.87 1xsf h LEU 68 Cb 1.16 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.89 1xsf h LEU 68 CO 0.03 0.01 -0.41 0.08 -1.08 0.00 0.00 178.44 177.08 1xsf h ARG 69 N 0.00 0.00 0.10 1.13 0.11 -1.97 -2.09 114.38 111.65 1xsf h ARG 69 Ca -0.00 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.80 1xsf h ARG 69 Cb 0.04 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.11 1xsf h ARG 69 CO 0.00 0.41 -1.40 1.88 0.10 0.00 0.00 179.97 180.96 1xsf h TYR 70 N 0.00 0.38 0.00 4.08 0.05 -0.85 -3.48 116.97 117.15 1xsf h TYR 70 Ca -0.00 -0.27 0.00 0.00 0.05 0.00 0.00 58.73 58.50 1xsf h TYR 70 Cb 0.89 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.62 1xsf h TYR 70 CO 0.00 1.28 0.00 0.00 -1.05 0.00 0.00 178.16 178.39 1xsf n ALA 71 N -2.58 0.00 0.40 3.88 0.00 0.16 -4.70 120.51 117.66 1xsf n ALA 71 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1xsf n ALA 71 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.48 1xsf n ALA 71 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1xsf n PRO 72 N -0.01 0.40 -3.65 0.00 -0.04 -1.11 -3.30 135.00 127.30 1xsf n PRO 72 Ca 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 1xsf n PRO 72 Cb 0.00 -1.30 -0.07 0.00 -0.04 0.00 0.00 33.50 32.09 1xsf n PRO 72 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1xsf s ARG 73 N 0.53 0.16 0.45 0.54 1.70 -1.26 -4.94 118.95 116.13 1xsf s ARG 73 Ca 0.00 0.18 0.20 0.00 -0.47 0.00 0.00 55.73 55.65 1xsf s ARG 73 Cb 0.00 0.08 1.07 0.00 -0.57 0.00 0.00 34.95 35.53 1xsf s ARG 73 CO 0.00 -0.02 1.94 0.00 -1.08 0.00 0.00 175.30 176.14 1xsf h ALA 74 N 3.36 1.33 -0.01 7.88 0.00 -1.84 -2.43 119.26 127.55 1xsf h ALA 74 Ca -0.27 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1xsf h ALA 74 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1xsf h ALA 74 CO 0.17 0.29 -0.16 -0.40 0.00 0.00 0.00 179.25 179.14 1xsf n ASP 75 N -3.85 0.66 -0.07 0.00 5.75 -1.25 -2.70 116.55 115.09 1xsf n ASP 75 Ca -0.02 -0.67 -0.07 0.00 -0.01 0.00 0.00 54.79 54.02 1xsf n ASP 75 Cb 0.32 -0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.26 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 -0.85 0.19 -4.80 -2.12 7.94 -0.95 -4.55 117.00 111.85 1xsf n LEU 76 Ca 0.13 0.09 -0.34 0.00 -1.11 0.00 0.00 56.01 54.78 1xsf n LEU 76 Cb 0.30 0.37 -0.06 0.00 0.53 0.00 0.00 43.42 44.56 1xsf n LEU 76 CO 0.25 0.40 0.68 0.00 -1.11 0.00 0.00 177.39 177.61 1xsf s ALA 77 N -2.65 3.03 0.61 1.96 0.00 -0.96 -4.97 121.76 118.78 1xsf s ALA 77 Ca -0.08 0.51 -0.01 0.00 0.00 0.00 0.00 51.96 52.38 1xsf s ALA 77 Cb 0.07 -3.20 0.09 0.00 0.00 0.00 0.00 23.12 20.08 1xsf s ALA 77 CO 0.84 -0.02 0.59 0.25 0.00 0.00 0.00 175.76 177.41 1xsf n THR 78 N -0.45 0.00 0.07 0.00 -2.24 -1.26 -4.75 114.28 105.65 1xsf n THR 78 Ca 0.06 -0.89 -0.12 0.00 -2.27 0.00 0.00 64.05 60.83 1xsf n THR 78 Cb 0.52 -1.13 -0.05 0.00 -2.10 0.00 0.00 70.33 67.57 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 -0.44 -0.94 -0.78 3.08 -1.97 0.19 114.38 113.52 1xsf h ARG 79 Ca -0.19 0.03 0.08 0.00 0.07 0.00 0.00 59.98 59.96 1xsf h ARG 79 Cb 0.71 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.79 1xsf h ARG 79 CO 0.20 -0.29 0.61 1.05 -1.07 0.00 0.00 179.97 180.47 1xsf h GLU 80 N -0.45 1.01 0.05 0.04 9.09 -1.94 0.27 114.58 122.65 1xsf h GLU 80 Ca 0.06 -0.06 -0.00 0.00 0.05 0.00 0.00 59.36 59.40 1xsf h GLU 80 Cb 0.53 -0.23 0.00 0.00 -1.65 0.00 0.00 28.75 27.40 1xsf h GLU 80 CO -0.23 0.67 -0.03 0.93 0.05 0.00 0.00 179.01 180.40 1xsf h GLU 81 N 1.04 -0.07 -0.45 1.06 3.07 -1.76 -2.28 114.58 115.19 1xsf h GLU 81 Ca 0.42 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.27 1xsf h GLU 81 Cb 0.26 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 1xsf h GLU 81 CO -0.17 0.27 0.21 1.96 -1.40 0.00 0.00 179.01 179.89 1xsf h GLN 82 N -0.42 0.62 -0.38 2.33 4.20 0.49 -0.48 115.11 121.47 1xsf h GLN 82 Ca -0.01 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1xsf h GLN 82 Cb 0.37 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 1xsf h GLN 82 CO 0.01 0.49 0.25 0.82 -0.67 0.00 0.00 178.83 179.73 1xsf h ILE 83 N 0.63 1.10 -0.44 2.54 5.03 -0.50 -1.44 117.51 124.42 1xsf h ILE 83 Ca 0.16 -0.19 -0.02 0.00 -0.12 0.00 0.00 64.86 64.69 1xsf h ILE 83 Cb 0.07 0.55 -0.02 0.00 -3.03 0.00 0.00 36.82 34.39 1xsf h ILE 83 CO -0.02 0.10 0.20 0.00 -0.68 0.00 0.00 178.15 177.75 1xsf h ALA 84 N 1.13 0.57 -0.21 1.87 0.00 -0.49 0.66 119.26 122.80 1xsf h ALA 84 Ca 0.14 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1xsf h ALA 84 Cb -0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1xsf h ALA 84 CO -0.03 0.15 -0.31 -0.24 0.00 0.00 0.00 179.25 178.82 1xsf h VAL 85 N 0.57 1.33 0.00 0.00 3.04 -1.47 -2.39 116.25 117.33 1xsf h VAL 85 Ca 0.15 -1.51 -0.01 0.00 -1.01 0.00 0.00 66.70 64.32 1xsf h VAL 85 Cb 0.14 1.80 -0.00 0.00 -2.01 0.00 0.00 31.29 31.22 1xsf h VAL 85 CO -0.02 0.47 -0.04 0.00 -1.01 0.00 0.00 177.57 176.97 1xsf h ALA 86 N 0.63 1.77 -0.58 3.17 0.00 -0.97 -1.95 119.26 121.33 1xsf h ALA 86 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xsf h ALA 86 Cb 0.89 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1xsf h ALA 86 CO 0.07 0.05 0.33 0.93 0.00 0.00 0.00 179.25 180.64 1xsf h GLU 87 N 0.00 0.79 -0.35 0.00 5.08 0.85 0.68 114.58 121.63 1xsf h GLU 87 Ca -0.00 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1xsf h GLU 87 Cb 0.09 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1xsf h GLU 87 CO 0.01 0.59 0.19 0.28 -1.00 0.00 0.00 179.01 179.07 1xsf h VAL 88 N 0.78 1.15 -0.22 3.13 2.07 -1.14 -2.22 116.25 119.79 1xsf h VAL 88 Ca 0.21 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 1xsf h VAL 88 Cb 0.01 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1xsf h VAL 88 CO -0.04 0.15 -0.05 0.74 0.02 0.00 0.00 177.57 178.39 1xsf h THR 89 N 0.44 1.28 -0.35 2.57 2.02 -1.07 -2.97 112.91 114.82 1xsf h THR 89 Ca 0.12 -1.04 -0.03 0.00 0.77 0.00 0.00 66.41 66.22 1xsf h THR 89 Cb 0.07 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 1xsf h THR 89 CO -0.02 0.32 0.07 0.08 0.37 0.00 0.00 175.52 176.34 1xsf h ARG 90 N 0.15 0.52 0.00 6.66 0.11 0.37 -2.68 114.38 119.51 1xsf h ARG 90 Ca 0.06 -0.09 -0.05 0.00 0.10 0.00 0.00 59.98 60.00 1xsf h ARG 90 Cb 0.51 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.49 1xsf h ARG 90 CO 0.02 0.49 -0.26 1.37 0.10 0.00 0.00 179.97 181.70 1xsf h LEU 91 N 0.51 0.00 0.07 0.08 8.10 -1.24 0.59 115.31 123.42 1xsf h LEU 91 Ca 0.12 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.97 1xsf h LEU 91 Cb 0.22 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.44 1xsf h LEU 91 CO -0.00 0.26 -0.67 0.03 -4.11 0.00 0.00 178.44 173.94 1xsf h ARG 92 N 0.00 0.15 0.00 0.17 3.08 -1.42 -3.41 114.38 112.95 1xsf h ARG 92 Ca -0.00 -0.26 -0.24 0.00 0.07 0.00 0.00 59.98 59.54 1xsf h ARG 92 Cb 0.87 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.98 1xsf h ARG 92 CO 0.03 1.12 -2.09 0.00 -1.07 0.00 0.00 179.97 177.97 1xsf n GLN 93 N -4.29 1.11 -1.00 0.04 10.64 -1.07 -5.03 117.38 117.78 1xsf n GLN 93 Ca -0.16 -0.04 0.00 0.00 -1.83 0.00 0.00 57.00 54.97 1xsf n GLN 93 Cb 0.70 -1.43 0.00 0.00 -0.86 0.00 0.00 30.24 28.65 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 1.86 0.98 2.53 2.61 0.00 0.21 -3.90 105.19 109.49 1xsf n GLY 94 Ca -0.22 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.00 0.00 -0.31 1.61 7.02 -1.22 -4.75 117.44 118.79 1xsf n TRP 95 Ca 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.45 1xsf n TRP 95 Cb 0.20 -0.98 0.09 0.00 -2.42 0.00 0.00 31.31 28.20 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 1.19 2.00 6.99 0.00 -1.89 -1.13 103.07 110.23 1xsf h GLY 96 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1xsf h GLY 96 CO 0.00 0.39 0.00 0.00 0.00 0.00 0.00 176.54 176.93 1xsf h ALA 97 N 1.32 1.00 -2.24 3.60 0.00 -1.90 -3.38 119.26 117.66 1xsf h ALA 97 Ca 0.32 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.54 1xsf h ALA 97 Cb -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.53 1xsf h ALA 97 CO -0.09 0.00 -0.09 -1.58 0.00 0.00 0.00 179.25 177.49 1xsf s TRP 98 N -3.53 3.12 0.00 0.00 0.51 -0.43 -5.05 118.94 113.56 1xsf s TRP 98 Ca 0.02 -0.46 0.00 0.00 -2.12 0.00 0.00 56.10 53.54 1xsf s TRP 98 Cb 0.09 -3.21 0.00 0.00 -0.81 0.00 0.00 33.47 29.54 1xsf s TRP 98 CO 0.48 -0.85 0.00 -2.30 -0.51 0.00 0.00 176.95 173.77 1xsf n PRO 99 N 5.83 0.78 0.15 4.98 -0.02 -1.26 -3.89 135.00 141.57 1xsf n PRO 99 Ca -0.07 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.59 1xsf n PRO 99 Cb 0.46 0.00 0.78 0.00 -0.02 0.00 0.00 33.50 34.73 1xsf n PRO 99 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1xsf h VAL 100 N 0.00 0.48 -0.31 -1.45 2.07 -1.96 -0.33 116.25 114.75 1xsf h VAL 100 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 1xsf h VAL 100 Cb 0.00 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1xsf h VAL 100 CO 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 177.53 1xsf h ALA 102 N 1.46 0.51 -0.76 0.00 0.00 -1.16 0.16 119.26 119.46 1xsf h ALA 102 Ca 0.10 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1xsf h ALA 102 Cb 0.41 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1xsf h ALA 102 CO 0.02 0.61 0.31 0.00 0.00 0.00 0.00 179.25 180.18 1xsf h ALA 103 N 0.74 1.10 -0.04 0.00 0.00 -1.42 0.38 119.26 120.02 1xsf h ALA 103 Ca 0.05 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1xsf h ALA 103 Cb 0.97 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1xsf h ALA 103 CO 0.09 0.64 -0.59 0.00 0.00 0.00 0.00 179.25 179.40 1xsf h ARG 104 N 1.11 0.13 0.00 0.00 2.47 -0.62 -3.13 114.38 114.34 1xsf h ARG 104 Ca 0.26 -0.09 -0.09 0.00 -1.26 0.00 0.00 59.98 58.80 1xsf h ARG 104 Cb 0.21 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.53 1xsf h ARG 104 CO -0.02 0.68 -0.46 0.00 0.56 0.00 0.00 179.97 180.73 1xsf h ALA 105 N 1.30 0.73 -0.30 0.04 0.00 -0.16 -3.48 119.26 117.40 1xsf h ALA 105 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1xsf h ALA 105 Cb 1.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1xsf h ALA 105 CO 0.08 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.25 1xsf n GLY 106 N 1.21 0.88 3.69 0.00 0.00 -0.06 -4.59 105.19 106.32 1xsf n GLY 106 Ca 0.02 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.15 1.04 -0.95 4.61 0.00 -0.15 -5.00 120.51 119.91 1xsf n ALA 107 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1xsf n ALA 107 Cb 0.05 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.24 1xsf n ALA 107 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39