#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 3.69 -3.15 2.41 0.31 -1.26 -4.91 118.33 115.42 1xsf n VAL 2 Ca 0.00 -2.37 -0.39 0.00 -0.01 0.00 0.00 64.34 61.57 1xsf n VAL 2 Cb 0.00 -2.12 -0.06 0.00 -0.91 0.00 0.00 33.84 30.75 1xsf n VAL 2 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1xsf s VAL 3 N 0.58 4.59 -0.02 2.52 0.11 -1.26 -5.07 120.40 121.84 1xsf s VAL 3 Ca 0.65 1.40 -0.12 0.00 -2.93 0.00 0.00 61.98 60.98 1xsf s VAL 3 Cb 0.27 -3.98 -0.05 0.00 -1.53 0.00 0.00 36.38 31.09 1xsf s VAL 3 CO -0.06 0.51 0.33 -0.69 -3.33 0.00 0.00 175.10 171.86 1xsf s VAL 4 N -1.16 5.18 -0.04 2.04 1.01 -1.26 -5.08 120.40 121.08 1xsf s VAL 4 Ca 0.33 0.60 0.05 0.00 0.00 0.00 0.00 61.98 62.95 1xsf s VAL 4 Cb -0.21 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 1xsf s VAL 4 CO 0.22 0.55 -0.19 0.42 0.00 0.00 0.00 175.10 176.10 1xsf s THR 5 N -1.11 1.55 0.80 3.92 -4.23 -1.26 -5.13 115.64 110.17 1xsf s THR 5 Ca 0.23 -0.79 -0.12 0.00 -1.18 0.00 0.00 61.69 59.83 1xsf s THR 5 Cb -0.15 -1.32 0.07 0.00 1.34 0.00 0.00 72.50 72.44 1xsf s THR 5 CO 0.12 0.44 1.11 -2.84 -0.54 0.00 0.00 174.62 172.91 1xsf s PRO 6 N -0.02 2.07 -1.55 3.99 0.02 -1.26 -3.85 135.00 134.39 1xsf s PRO 6 Ca -0.03 0.48 -0.14 0.00 0.02 0.00 0.00 61.00 61.32 1xsf s PRO 6 Cb -0.12 -1.93 0.10 0.00 0.02 0.00 0.00 34.50 32.57 1xsf s PRO 6 CO 0.02 -1.60 0.92 0.00 -0.33 0.00 0.00 177.00 176.02 1xsf n ALA 7 N -3.39 -1.25 1.74 -1.55 0.00 -1.26 -4.82 120.51 109.97 1xsf n ALA 7 Ca 0.07 0.16 0.15 0.00 0.00 0.00 0.00 53.44 53.83 1xsf n ALA 7 Cb 0.58 -4.25 0.84 0.00 0.00 0.00 0.00 19.45 16.61 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 -4.60 0.00 -1.99 0.00 -0.00 -1.25 -4.83 115.22 102.56 1xsf n HIS 8 Ca 0.05 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.85 1xsf n HIS 8 Cb 0.52 -0.11 0.03 0.00 -0.12 0.00 0.00 29.99 30.31 1xsf n HIS 8 CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 1xsf s GLU 9 N -2.23 3.24 -0.85 1.57 -1.05 -1.26 -4.96 118.70 113.17 1xsf s GLU 9 Ca 0.39 1.97 0.01 0.00 -0.15 0.00 0.00 54.97 57.20 1xsf s GLU 9 Cb 0.21 -2.19 0.30 0.00 -0.44 0.00 0.00 34.13 32.01 1xsf s GLU 9 CO 0.41 -1.03 1.23 0.00 0.95 0.00 0.00 175.26 176.82 1xsf n ALA 10 N -1.07 4.92 0.03 -0.84 0.00 -1.26 -4.80 120.51 117.50 1xsf n ALA 10 Ca 0.11 -4.75 -0.01 0.00 0.00 0.00 0.00 53.44 48.78 1xsf n ALA 10 Cb 0.47 -1.61 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 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 3.05 0.00 -3.58 0.00 2.07 -1.95 -3.47 116.25 112.37 1xsf h VAL 11 Ca 0.25 -0.04 -0.12 0.00 0.82 0.00 0.00 66.70 67.60 1xsf h VAL 11 Cb 0.56 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1xsf h VAL 11 CO 1.07 0.00 -0.37 0.55 0.02 0.00 0.00 177.57 178.84 1xsf n VAL 12 N -2.36 -1.13 -3.39 2.57 3.14 -1.26 -4.84 118.33 111.06 1xsf n VAL 12 Ca -0.01 0.02 -0.39 0.00 -2.96 0.00 0.00 64.34 60.99 1xsf n VAL 12 Cb 0.04 -1.03 -0.09 0.00 -1.06 0.00 0.00 33.84 31.69 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 -0.94 3.94 0.31 1.45 1.70 -1.26 -5.04 118.95 119.11 1xsf s ARG 13 Ca 0.11 -0.03 0.07 0.00 -0.47 0.00 0.00 55.73 55.40 1xsf s ARG 13 Cb -0.01 -3.68 -0.06 0.00 -0.57 0.00 0.00 34.95 30.63 1xsf s ARG 13 CO 0.26 -0.32 -0.04 0.08 -1.08 0.00 0.00 175.30 174.20 1xsf s VAL 14 N 2.07 1.75 0.00 4.99 1.01 -1.26 -5.07 120.40 123.89 1xsf s VAL 14 Ca 0.15 -2.11 0.00 0.00 0.00 0.00 0.00 61.98 60.01 1xsf s VAL 14 Cb -0.16 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.62 1xsf s VAL 14 CO 0.10 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.61 1xsf n GLY 15 N -0.68 -1.94 0.16 4.51 0.00 -1.26 -4.99 105.19 100.99 1xsf n GLY 15 Ca -0.05 0.66 -0.13 0.00 0.00 0.00 0.00 46.02 46.50 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 1.39 -3.54 2.61 2.02 -2.07 -3.38 112.91 109.94 1xsf h THR 16 Ca 0.00 -2.36 -0.74 0.00 0.77 0.00 0.00 66.41 64.08 1xsf h THR 16 Cb 0.00 2.33 -0.30 0.00 -1.74 0.00 0.00 68.15 68.44 1xsf h THR 16 CO 0.00 0.71 -0.21 -0.54 0.37 0.00 0.00 175.52 175.85 1xsf s LYS 17 N -3.37 2.92 1.12 6.66 3.01 -1.26 -5.07 119.74 123.75 1xsf s LYS 17 Ca -0.06 -2.23 -0.13 0.00 -1.01 0.00 0.00 55.97 52.53 1xsf s LYS 17 Cb 0.09 -4.06 0.25 0.00 -1.01 0.00 0.00 37.83 33.10 1xsf s LYS 17 CO 0.86 -1.23 1.05 -2.14 0.51 0.00 0.00 175.35 174.41 1xsf s PRO 18 N 0.53 -0.54 0.00 -1.68 0.02 -1.26 -4.81 135.00 127.27 1xsf s PRO 18 Ca 0.13 0.59 0.00 0.00 0.02 0.00 0.00 61.00 61.74 1xsf s PRO 18 Cb -0.19 -1.62 0.00 0.00 0.02 0.00 0.00 34.50 32.71 1xsf s PRO 18 CO -0.04 -3.40 0.00 0.41 -0.33 0.00 0.00 177.00 173.64 1xsf n GLY 19 N -0.08 0.99 0.09 0.52 0.00 -1.26 -5.04 105.19 100.41 1xsf n GLY 19 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 1.37 -3.45 2.61 2.02 -1.98 -3.41 112.91 110.07 1xsf h THR 20 Ca 0.00 -1.21 -0.56 0.00 0.77 0.00 0.00 66.41 65.40 1xsf h THR 20 Cb 0.00 2.03 -0.39 0.00 -1.74 0.00 0.00 68.15 68.05 1xsf h THR 20 CO 0.00 0.33 -0.78 -1.61 0.37 0.00 0.00 175.52 173.84 1xsf s GLU 21 N -4.28 1.17 0.26 6.66 2.02 -1.26 -5.12 118.70 118.15 1xsf s GLU 21 Ca -0.15 -0.69 -0.29 0.00 0.02 0.00 0.00 54.97 53.85 1xsf s GLU 21 Cb 0.03 -2.32 -0.09 0.00 0.10 0.00 0.00 34.13 31.85 1xsf s GLU 21 CO 0.71 -0.60 1.22 0.08 0.02 0.00 0.00 175.26 176.69 1xsf s VAL 22 N 1.62 3.22 0.06 2.63 1.01 -1.26 -4.93 120.40 122.75 1xsf s VAL 22 Ca -0.03 1.14 -0.34 0.00 0.00 0.00 0.00 61.98 62.74 1xsf s VAL 22 Cb -0.18 -3.73 -0.13 0.00 0.00 0.00 0.00 36.38 32.34 1xsf s VAL 22 CO -0.07 0.24 1.67 -2.65 0.00 0.00 0.00 175.10 174.28 1xsf n PRO 23 N 1.61 2.05 -1.93 2.72 -0.02 -1.26 -4.89 135.00 133.28 1xsf n PRO 23 Ca 0.02 0.74 -0.36 0.00 -2.02 0.00 0.00 63.50 61.88 1xsf n PRO 23 Cb 0.43 -2.53 0.04 0.00 -0.02 0.00 0.00 33.50 31.43 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 2.05 2.87 0.49 0.52 0.04 -1.26 -4.74 135.00 134.96 1xsf s PRO 24 Ca 0.85 1.92 -0.05 0.00 0.04 0.00 0.00 61.00 63.75 1xsf s PRO 24 Cb -0.72 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 1xsf s PRO 24 CO 0.44 -1.31 0.80 0.08 0.04 0.00 0.00 177.00 177.05 1xsf s VAL 25 N -1.52 4.88 0.43 -0.36 1.01 -1.26 -4.94 120.40 118.64 1xsf s VAL 25 Ca 0.79 0.22 0.16 0.00 0.00 0.00 0.00 61.98 63.15 1xsf s VAL 25 Cb -0.33 -3.86 0.36 0.00 0.00 0.00 0.00 36.38 32.55 1xsf s VAL 25 CO 0.36 -0.85 1.92 0.40 0.00 0.00 0.00 175.10 176.93 1xsf h ILE 26 N 0.20 0.79 -0.02 2.22 5.03 -2.01 0.35 117.51 124.07 1xsf h ILE 26 Ca -0.47 -0.13 0.00 0.00 -0.12 0.00 0.00 64.86 64.14 1xsf h ILE 26 Cb 1.21 0.36 0.00 0.00 -3.03 0.00 0.00 36.82 35.36 1xsf h ILE 26 CO 0.62 0.07 -0.24 0.47 -0.68 0.00 0.00 178.15 178.39 1xsf n ASP 27 N -4.47 2.00 0.00 1.72 8.00 -1.26 -4.18 116.55 118.35 1xsf n ASP 27 Ca 0.14 -1.50 0.11 0.00 0.71 0.00 0.00 54.79 54.25 1xsf n ASP 27 Cb 0.53 0.31 0.64 0.00 -0.02 0.00 0.00 41.12 42.58 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 1.15 -0.80 0.17 0.44 0.00 0.12 -1.26 105.19 105.01 1xsf n GLY 28 Ca 0.08 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.54 1.61 0.02 -1.72 -0.04 113.55 113.71 1xsf h SER 29 Ca 0.00 -0.79 -0.12 0.00 -0.84 0.00 0.00 61.79 60.04 1xsf h SER 29 Cb 0.00 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 1xsf h SER 29 CO 0.00 1.52 -0.12 0.40 -1.14 0.00 0.00 176.83 177.50 1xsf h ILE 30 N 0.23 1.27 -0.36 3.27 1.08 -1.38 0.16 117.51 121.78 1xsf h ILE 30 Ca -0.15 -1.27 -0.11 0.00 -0.39 0.00 0.00 64.86 62.94 1xsf h ILE 30 Cb 1.74 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 36.46 1xsf h ILE 30 CO 0.21 0.45 -0.21 -0.50 -0.69 0.00 0.00 178.15 177.41 1xsf h TRP 31 N 0.90 0.78 0.03 1.37 -0.00 -1.43 0.61 115.95 118.21 1xsf h TRP 31 Ca 0.14 -0.17 -0.22 0.00 -0.00 0.00 0.00 58.89 58.64 1xsf h TRP 31 Cb 0.69 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.16 29.65 1xsf h TRP 31 CO 0.05 0.85 -0.97 0.22 -0.00 0.00 0.00 178.44 178.59 1xsf h ASP 32 N 0.61 0.30 0.15 -3.49 3.58 -0.79 0.31 116.42 117.09 1xsf h ASP 32 Ca 0.09 -0.27 -0.13 0.00 0.42 0.00 0.00 57.03 57.14 1xsf h ASP 32 Cb 0.69 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 1xsf h ASP 32 CO 0.05 1.11 -0.47 0.00 -2.88 0.00 0.00 179.24 177.04 1xsf h ALA 33 N 0.87 0.91 -0.43 -0.78 0.00 -0.66 0.20 119.26 119.37 1xsf h ALA 33 Ca -0.06 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 1xsf h ALA 33 Cb 1.63 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1xsf h ALA 33 CO 0.15 0.65 0.05 0.82 0.00 0.00 0.00 179.25 180.92 1xsf h ILE 34 N 0.31 1.25 -0.81 0.00 2.04 -0.77 -2.11 117.51 117.41 1xsf h ILE 34 Ca 0.02 -0.93 0.06 0.00 1.00 0.00 0.00 64.86 65.01 1xsf h ILE 34 Cb 0.95 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.99 1xsf h ILE 34 CO 0.08 0.32 0.53 0.00 0.00 0.00 0.00 178.15 179.08 1xsf h ALA 35 N 0.93 1.61 0.00 1.87 0.00 -0.53 0.70 119.26 123.83 1xsf h ALA 35 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xsf h ALA 35 Cb 0.41 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xsf h ALA 35 CO 0.01 0.27 0.00 0.78 0.00 0.00 0.00 179.25 180.31 1xsf h GLY 36 N 0.89 0.00 0.00 0.00 0.00 -0.18 0.83 103.07 104.62 1xsf h GLY 36 Ca 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 1xsf h GLY 36 CO -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 176.54 176.11 1xsf h GLU 38 N -1.00 0.12 0.00 0.00 4.57 -1.51 -3.36 114.58 113.40 1xsf h GLU 38 Ca -0.02 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 1xsf h GLU 38 Cb 0.36 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1xsf h GLU 38 CO -0.01 0.83 -1.29 0.00 -1.18 0.00 0.00 179.01 177.35 1xsf n ALA 39 N -2.71 3.67 -0.38 2.92 0.00 -0.51 -4.76 120.51 118.75 1xsf n ALA 39 Ca -0.21 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1xsf n ALA 39 Cb 1.05 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.65 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 1.38 1.39 0.00 0.00 0.00 -0.81 -4.02 105.19 103.13 1xsf n GLY 40 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.00 0.73 2.94 -0.02 0.00 0.17 -4.67 105.19 102.34 1xsf n GLY 41 Ca 0.00 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.44 0.07 -0.00 1.61 3.84 -1.26 -4.91 114.94 112.85 1xsf s ASN 42 Ca 0.00 0.37 0.22 0.00 0.21 0.00 0.00 52.86 53.66 1xsf s ASN 42 Cb 0.00 0.29 -0.22 0.00 -0.55 0.00 0.00 41.25 40.76 1xsf s ASN 42 CO 0.00 -0.18 0.80 0.79 -2.79 0.00 0.00 177.10 175.72 1xsf n TRP 43 N 4.52 0.02 0.97 0.43 7.02 -1.26 0.36 117.44 129.51 1xsf n TRP 43 Ca -0.20 0.01 0.10 0.00 -1.02 0.00 0.00 57.50 56.39 1xsf n TRP 43 Cb 0.51 -0.19 -0.05 0.00 -2.42 0.00 0.00 31.31 29.17 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 3.97 -1.77 6.99 0.00 -1.26 -3.59 120.51 123.11 1xsf n ALA 44 Ca 0.02 -0.62 -0.40 0.00 0.00 0.00 0.00 53.44 52.44 1xsf n ALA 44 Cb 0.41 -0.76 0.00 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 -2.62 2.25 -0.29 0.00 2.07 -1.26 -4.80 121.20 116.54 1xsf s ILE 45 Ca 0.14 0.23 0.03 0.00 -1.41 0.00 0.00 60.65 59.64 1xsf s ILE 45 Cb 0.17 -3.14 0.19 0.00 0.13 0.00 0.00 42.46 39.81 1xsf s ILE 45 CO 0.67 0.04 0.56 0.21 -1.91 0.00 0.00 174.94 174.51 1xsf s ASN 46 N -0.44 -1.26 0.19 4.50 3.84 -1.26 -0.58 114.94 119.93 1xsf s ASN 46 Ca 0.56 0.34 0.25 0.00 0.21 0.00 0.00 52.86 54.22 1xsf s ASN 46 Cb -0.43 1.93 0.64 0.00 -0.55 0.00 0.00 41.25 42.85 1xsf s ASN 46 CO 0.57 -0.29 1.62 0.71 -2.79 0.00 0.00 177.10 176.91 1xsf h THR 47 N 6.03 0.00 0.00 -5.21 1.35 -1.95 -3.47 112.91 109.66 1xsf h THR 47 Ca -0.09 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1xsf h THR 47 Cb 1.17 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1xsf h THR 47 CO 0.20 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.08 1xsf n GLY 48 N 1.31 0.98 0.14 5.82 0.00 -1.26 -4.96 105.19 107.22 1xsf n GLY 48 Ca 0.05 -0.47 0.15 0.00 0.00 0.00 0.00 46.02 45.74 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 0.95 0.48 0.00 1.61 5.15 -1.26 -4.84 115.26 117.36 1xsf n ASN 49 Ca 0.00 -0.93 0.00 0.00 -0.60 0.00 0.00 54.58 53.05 1xsf n ASN 49 Cb 0.12 -0.04 0.00 0.00 -0.53 0.00 0.00 39.78 39.33 1xsf n ASN 49 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xsf n GLY 50 N 1.14 0.72 3.51 8.20 0.00 -1.26 -5.03 105.19 112.46 1xsf n GLY 50 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.26 2.41 0.41 1.61 2.02 -1.26 -2.18 117.35 118.10 1xsf s TYR 51 Ca 0.00 -0.30 0.07 0.00 -0.37 0.00 0.00 57.07 56.47 1xsf s TYR 51 Cb 0.00 -1.09 -0.07 0.00 -0.40 0.00 0.00 41.96 40.39 1xsf s TYR 51 CO 0.00 0.63 0.05 0.71 -1.57 0.00 0.00 175.55 175.37 1xsf s TYR 52 N -2.21 2.54 0.45 2.71 2.02 -0.60 -4.56 117.35 117.69 1xsf s TYR 52 Ca 0.28 -0.63 -0.07 0.00 -0.37 0.00 0.00 57.07 56.27 1xsf s TYR 52 Cb -0.06 -1.79 0.11 0.00 -0.40 0.00 0.00 41.96 39.82 1xsf s TYR 52 CO 0.15 0.39 0.33 0.41 -1.57 0.00 0.00 175.55 175.26 1xsf n GLY 53 N -1.03 -3.16 7.00 0.71 0.00 0.25 -2.53 105.19 106.44 1xsf n GLY 53 Ca -0.04 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.89 1.75 0.13 -0.02 0.00 0.16 -2.73 105.19 103.59 1xsf n GLY 54 Ca 0.05 -0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.63 1.61 0.31 -1.26 -3.85 118.33 111.50 1xsf n VAL 55 Ca 0.00 -0.07 -0.23 0.00 -0.01 0.00 0.00 64.34 64.03 1xsf n VAL 55 Cb 0.00 -0.17 0.06 0.00 -0.91 0.00 0.00 33.84 32.82 1xsf n VAL 55 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xsf n GLN 56 N -0.76 -6.43 -4.45 5.55 1.13 -1.05 -4.89 117.38 106.48 1xsf n GLN 56 Ca 0.19 0.74 -0.26 0.00 -1.94 0.00 0.00 57.00 55.73 1xsf n GLN 56 Cb 0.22 -5.65 -0.10 0.00 0.11 0.00 0.00 30.24 24.83 1xsf n GLN 56 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1xsf s PHE 57 N -3.41 2.53 0.71 1.08 -0.71 -1.20 -4.70 117.98 112.28 1xsf s PHE 57 Ca 0.30 -0.59 -0.11 0.00 -1.04 0.00 0.00 56.93 55.49 1xsf s PHE 57 Cb -0.14 -1.73 0.02 0.00 -1.21 0.00 0.00 43.02 39.96 1xsf s PHE 57 CO 0.77 0.41 1.09 0.16 -1.34 0.00 0.00 175.22 176.31 1xsf s ASP 58 N -3.75 5.39 0.30 1.98 -4.77 -1.26 -1.55 116.67 113.01 1xsf s ASP 58 Ca 0.36 1.18 -0.00 0.00 -3.30 0.00 0.00 52.55 50.79 1xsf s ASP 58 Cb 0.06 -1.99 0.45 0.00 -1.09 0.00 0.00 42.92 40.35 1xsf s ASP 58 CO 0.19 -1.38 1.86 -0.61 0.70 0.00 0.00 175.17 175.93 1xsf h GLN 59 N -0.68 0.80 0.02 2.11 5.75 -1.81 -1.44 115.11 119.86 1xsf h GLN 59 Ca -0.45 -0.15 -0.00 0.00 -0.15 0.00 0.00 58.65 57.90 1xsf h GLN 59 Cb 1.25 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.67 1xsf h GLN 59 CO 0.63 0.70 -0.01 0.78 -2.65 0.00 0.00 178.83 178.28 1xsf h GLY 60 N 0.94 -0.03 1.01 2.39 0.00 -1.93 0.43 103.07 105.87 1xsf h GLY 60 Ca 0.18 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 1xsf h GLY 60 CO -0.01 -0.01 0.38 -0.84 0.00 0.00 0.00 176.54 176.06 1xsf h THR 61 N -0.43 1.22 -0.18 4.70 2.02 -1.95 0.10 112.91 118.39 1xsf h THR 61 Ca -0.00 -0.56 0.03 0.00 0.77 0.00 0.00 66.41 66.65 1xsf h THR 61 Cb 0.41 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1xsf h THR 61 CO 0.00 0.24 -0.02 -0.25 0.37 0.00 0.00 175.52 175.87 1xsf h TRP 62 N 0.97 -0.04 -0.24 3.16 2.91 -1.10 -1.21 115.95 120.40 1xsf h TRP 62 Ca 0.25 0.01 -0.09 0.00 1.13 0.00 0.00 58.89 60.19 1xsf h TRP 62 Cb 0.05 0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 28.73 1xsf h TRP 62 CO -0.00 -0.05 -0.25 1.49 -1.03 0.00 0.00 178.44 178.61 1xsf h GLU 63 N 0.04 0.46 -0.43 2.65 4.81 0.21 0.40 114.58 122.73 1xsf h GLU 63 Ca 0.09 -0.17 -0.11 0.00 -0.13 0.00 0.00 59.36 59.04 1xsf h GLU 63 Cb 0.12 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1xsf h GLU 63 CO -0.16 0.68 -0.15 0.00 -0.73 0.00 0.00 179.01 178.64 1xsf h ALA 64 N 1.33 0.59 0.00 2.92 0.00 -0.29 -1.21 119.26 122.60 1xsf h ALA 64 Ca 0.06 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1xsf h ALA 64 Cb 0.65 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1xsf h ALA 64 CO 0.05 0.52 0.00 -0.91 0.00 0.00 0.00 179.25 178.91 1xsf h ASN 65 N 0.68 0.00 -0.86 0.00 -0.26 -1.08 -3.47 115.58 110.59 1xsf h ASN 65 Ca 0.10 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 1xsf h ASN 65 Cb 0.71 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.97 1xsf h ASN 65 CO 0.05 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 177.03 1xsf n GLY 66 N 0.23 0.73 0.22 2.83 0.00 -0.46 -4.95 105.19 103.79 1xsf n GLY 66 Ca 0.02 -0.34 0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.41 -3.18 103.07 101.46 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 -1.03 3.11 3.38 -1.75 0.25 115.31 119.27 1xsf h LEU 68 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1xsf h LEU 68 Cb 0.91 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1xsf h LEU 68 CO 0.00 0.03 -0.45 0.08 0.09 0.00 0.00 178.44 178.20 1xsf h ARG 69 N 0.00 0.00 0.08 1.13 0.11 -1.95 -2.28 114.38 111.48 1xsf h ARG 69 Ca -0.00 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.78 1xsf h ARG 69 Cb 0.09 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.15 1xsf h ARG 69 CO 0.00 0.45 -1.55 1.88 0.10 0.00 0.00 179.97 180.85 1xsf h TYR 70 N 0.00 0.32 0.00 4.08 0.05 -0.86 -3.48 116.97 117.09 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 0.86 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.59 1xsf h TYR 70 CO 0.00 1.31 0.00 0.00 -1.05 0.00 0.00 178.16 178.42 1xsf n ALA 71 N -2.64 0.00 0.00 3.88 0.00 0.44 -4.56 120.51 117.62 1xsf n ALA 71 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 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 -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 -1.07 -3.14 135.00 127.07 1xsf n PRO 72 Ca 0.00 0.04 -0.14 0.00 -2.02 0.00 0.00 63.50 61.39 1xsf n PRO 72 Cb 0.00 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 31.89 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 -2.01 0.62 0.56 -0.52 1.70 -1.26 -4.80 118.95 113.23 1xsf s ARG 73 Ca 0.00 0.43 0.28 0.00 -0.47 0.00 0.00 55.73 55.97 1xsf s ARG 73 Cb 0.00 0.29 1.65 0.00 -0.57 0.00 0.00 34.95 36.33 1xsf s ARG 73 CO 0.00 -0.11 2.18 0.00 -1.08 0.00 0.00 175.30 176.29 1xsf h ALA 74 N 4.86 1.47 -0.34 7.88 0.00 -1.90 -0.76 119.26 130.46 1xsf h ALA 74 Ca -0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1xsf h ALA 74 Cb 1.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1xsf h ALA 74 CO 0.27 0.06 0.00 -0.40 0.00 0.00 0.00 179.25 179.18 1xsf n ASP 75 N -3.82 2.00 -0.10 0.00 5.75 -1.25 -3.80 116.55 115.32 1xsf n ASP 75 Ca -0.03 -2.04 -0.17 0.00 -0.01 0.00 0.00 54.79 52.55 1xsf n ASP 75 Cb 0.14 -0.27 -0.09 0.00 -1.03 0.00 0.00 41.12 39.87 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 0.50 2.59 -5.00 -2.12 7.94 -0.29 -4.76 117.00 115.87 1xsf n LEU 76 Ca 0.12 -0.01 -0.18 0.00 -1.11 0.00 0.00 56.01 54.83 1xsf n LEU 76 Cb 0.33 -0.70 0.01 0.00 0.53 0.00 0.00 43.42 43.59 1xsf n LEU 76 CO 0.09 0.74 0.14 0.00 -1.11 0.00 0.00 177.39 177.25 1xsf s ALA 77 N -2.41 4.49 0.69 1.96 0.00 -1.23 -5.02 121.76 120.24 1xsf s ALA 77 Ca -0.28 -1.71 -0.07 0.00 0.00 0.00 0.00 51.96 49.89 1xsf s ALA 77 Cb 0.08 -1.56 0.05 0.00 0.00 0.00 0.00 23.12 21.70 1xsf s ALA 77 CO 0.45 -0.30 1.00 0.95 0.00 0.00 0.00 175.76 177.86 1xsf s THR 78 N -2.38 2.59 0.41 0.00 -4.23 -1.26 -4.84 115.64 105.93 1xsf s THR 78 Ca 0.55 -0.17 0.22 0.00 -1.18 0.00 0.00 61.69 61.10 1xsf s THR 78 Cb -0.09 -3.11 0.42 0.00 1.34 0.00 0.00 72.50 71.05 1xsf s THR 78 CO 0.33 -0.12 1.74 0.08 -0.54 0.00 0.00 174.62 176.11 1xsf h ARG 79 N -0.54 0.30 -0.10 3.99 0.11 -1.92 0.53 114.38 116.75 1xsf h ARG 79 Ca -0.45 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 59.59 1xsf h ARG 79 Cb 1.30 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 32.31 1xsf h ARG 79 CO 0.61 0.20 -0.05 1.05 0.10 0.00 0.00 179.97 181.87 1xsf h GLU 80 N 0.31 0.15 -0.02 0.08 4.11 -1.90 0.16 114.58 117.46 1xsf h GLU 80 Ca 0.64 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 60.03 1xsf h GLU 80 Cb 1.77 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.99 1xsf h GLU 80 CO -0.32 0.22 -0.08 1.49 0.07 0.00 0.00 179.01 180.40 1xsf h GLU 81 N 0.15 0.10 -0.20 1.06 4.22 -0.27 -2.28 114.58 117.36 1xsf h GLU 81 Ca 0.04 -0.07 0.01 0.00 0.08 0.00 0.00 59.36 59.41 1xsf h GLU 81 Cb 0.20 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1xsf h GLU 81 CO 0.01 0.70 0.13 1.96 -2.18 0.00 0.00 179.01 179.63 1xsf h GLN 82 N -0.49 0.24 0.11 1.92 4.20 -1.24 0.38 115.11 120.24 1xsf h GLN 82 Ca -0.00 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1xsf h GLN 82 Cb 0.70 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 1xsf h GLN 82 CO 0.02 0.16 -0.08 0.82 -0.67 0.00 0.00 178.83 179.07 1xsf h ILE 83 N 0.24 0.82 -0.48 2.54 2.04 -0.64 -0.10 117.51 121.93 1xsf h ILE 83 Ca 0.07 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 1xsf h ILE 83 Cb 0.00 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1xsf h ILE 83 CO -0.02 0.00 0.23 0.00 0.00 0.00 0.00 178.15 178.37 1xsf h ALA 84 N 0.68 0.62 -0.04 1.87 0.00 -0.40 0.31 119.26 122.31 1xsf h ALA 84 Ca -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1xsf h ALA 84 Cb 0.18 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1xsf h ALA 84 CO -0.00 0.18 -0.02 0.28 0.00 0.00 0.00 179.25 179.69 1xsf h VAL 85 N 0.63 1.31 0.00 0.00 2.07 -1.08 -2.42 116.25 116.76 1xsf h VAL 85 Ca 0.16 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1xsf h VAL 85 Cb 0.12 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1xsf h VAL 85 CO -0.02 0.26 -0.03 0.00 0.02 0.00 0.00 177.57 177.80 1xsf h ALA 86 N 0.63 1.92 -0.71 1.67 0.00 -0.85 -2.23 119.26 119.69 1xsf h ALA 86 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xsf h ALA 86 Cb 0.43 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1xsf h ALA 86 CO 0.01 0.04 0.45 0.93 0.00 0.00 0.00 179.25 180.68 1xsf h GLU 87 N 0.00 0.94 -0.00 0.00 5.08 0.12 0.40 114.58 121.11 1xsf h GLU 87 Ca -0.00 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1xsf h GLU 87 Cb 0.05 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 1xsf h GLU 87 CO 0.00 0.64 0.00 0.28 -1.00 0.00 0.00 179.01 178.93 1xsf h VAL 88 N 0.96 1.03 -0.66 3.13 2.07 -1.13 -2.23 116.25 119.42 1xsf h VAL 88 Ca 0.26 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.64 1xsf h VAL 88 Cb -0.08 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1xsf h VAL 88 CO -0.05 0.02 0.18 0.74 0.02 0.00 0.00 177.57 178.47 1xsf h THR 89 N -0.03 1.25 -0.57 2.57 2.02 -1.41 -2.64 112.91 114.09 1xsf h THR 89 Ca 0.00 -0.90 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 1xsf h THR 89 Cb 0.03 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 1xsf h THR 89 CO -0.00 0.35 0.35 0.08 0.37 0.00 0.00 175.52 176.67 1xsf h ARG 90 N 0.99 0.77 0.00 6.66 0.11 0.06 -2.15 114.38 120.82 1xsf h ARG 90 Ca 0.21 -0.06 -0.04 0.00 0.10 0.00 0.00 59.98 60.19 1xsf h ARG 90 Cb 0.33 -0.17 -0.01 0.00 1.11 0.00 0.00 29.97 31.23 1xsf h ARG 90 CO -0.00 0.54 -0.19 -0.07 0.10 0.00 0.00 179.97 180.35 1xsf h LEU 91 N 0.79 0.00 0.10 0.08 3.38 -1.02 0.31 115.31 118.94 1xsf h LEU 91 Ca 0.21 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.89 1xsf h LEU 91 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1xsf h LEU 91 CO -0.04 0.19 -1.52 0.03 0.09 0.00 0.00 178.44 177.19 1xsf h ARG 92 N 0.00 0.21 0.00 1.13 3.08 -1.44 -3.40 114.38 113.96 1xsf h ARG 92 Ca -0.00 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1xsf h ARG 92 Cb 0.35 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1xsf h ARG 92 CO 0.02 1.17 -1.48 0.00 -1.07 0.00 0.00 179.97 178.61 1xsf n GLN 93 N -3.91 0.82 -2.29 0.04 0.00 -1.03 -5.03 117.38 105.99 1xsf n GLN 93 Ca -0.28 -0.11 -0.00 0.00 0.00 0.00 0.00 57.00 56.61 1xsf n GLN 93 Cb 0.90 -1.33 0.00 0.00 0.00 0.00 0.00 30.24 29.80 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 1.56 0.73 2.56 2.61 0.00 0.11 -3.18 105.19 109.58 1xsf n GLY 94 Ca -0.02 -0.59 -0.19 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.87 0.00 0.08 1.61 7.02 -1.24 -4.78 117.44 118.27 1xsf n TRP 95 Ca -0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.38 1xsf n TRP 95 Cb 0.50 -3.25 -0.05 0.00 -2.42 0.00 0.00 31.31 26.09 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 0.22 2.00 6.99 0.00 -1.89 -3.21 103.07 107.18 1xsf h GLY 96 Ca -0.39 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 46.43 1xsf h GLY 96 CO 0.58 0.39 -0.31 0.00 0.00 0.00 0.00 176.54 177.19 1xsf h ALA 97 N 0.88 0.98 -2.25 3.60 0.00 -1.89 -3.38 119.26 117.21 1xsf h ALA 97 Ca -0.06 -0.28 -0.69 0.00 0.00 0.00 0.00 54.91 53.88 1xsf h ALA 97 Cb 1.64 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 19.20 1xsf h ALA 97 CO 0.15 0.38 -0.08 -1.58 0.00 0.00 0.00 179.25 178.12 1xsf s TRP 98 N -3.56 3.12 0.00 0.00 0.51 -1.21 -5.06 118.94 112.74 1xsf s TRP 98 Ca 0.01 -0.41 0.00 0.00 -2.12 0.00 0.00 56.10 53.57 1xsf s TRP 98 Cb 0.10 -3.20 0.00 0.00 -0.81 0.00 0.00 33.47 29.57 1xsf s TRP 98 CO 0.67 -0.84 0.00 -2.30 -0.51 0.00 0.00 176.95 173.96 1xsf n PRO 99 N 5.87 3.03 0.29 4.98 -0.02 -1.26 -4.03 135.00 143.85 1xsf n PRO 99 Ca -0.06 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.60 1xsf n PRO 99 Cb 0.47 0.00 0.94 0.00 -0.02 0.00 0.00 33.50 34.88 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 0.14 -0.95 -1.45 2.07 -1.96 0.22 116.25 114.33 1xsf h VAL 100 Ca 0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 1xsf h VAL 100 Cb 0.00 0.81 -0.07 0.00 -1.52 0.00 0.00 31.29 30.51 1xsf h VAL 100 CO 0.00 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.20 1xsf h ALA 102 N 1.50 0.59 -0.78 0.00 0.00 -0.69 -1.34 119.26 118.53 1xsf h ALA 102 Ca 0.42 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1xsf h ALA 102 Cb 0.25 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1xsf h ALA 102 CO -0.17 0.69 0.45 0.00 0.00 0.00 0.00 179.25 180.22 1xsf h ALA 103 N 0.84 1.00 -0.02 0.00 0.00 -1.26 0.19 119.26 120.01 1xsf h ALA 103 Ca 0.01 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1xsf h ALA 103 Cb 1.13 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1xsf h ALA 103 CO 0.11 0.48 -0.37 0.00 0.00 0.00 0.00 179.25 179.47 1xsf h ARG 104 N 1.07 0.03 0.00 0.00 -0.00 -0.61 -3.22 114.38 111.66 1xsf h ARG 104 Ca 0.28 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.98 59.67 1xsf h ARG 104 Cb -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 29.97 29.95 1xsf h ARG 104 CO -0.05 0.40 -0.85 0.00 0.00 0.00 0.00 179.97 179.47 1xsf h ALA 105 N 1.60 0.67 0.00 0.04 0.00 -0.04 -3.49 119.26 118.04 1xsf h ALA 105 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1xsf h ALA 105 Cb 0.67 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1xsf h ALA 105 CO 0.05 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.12 1xsf n GLY 106 N 1.24 0.79 3.77 0.00 0.00 0.55 -4.37 105.19 107.17 1xsf n GLY 106 Ca -0.02 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.58 2.82 0.00 4.61 0.00 -0.78 -4.91 121.76 121.92 1xsf s ALA 107 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.80 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 -0.68 0.00 2.89 0.00 0.00 0.00 175.76 177.97