#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 1.19 -2.11 3.53 2.07 -2.14 -3.41 116.25 115.38 1xsf h VAL 2 Ca 0.00 -0.64 -0.57 0.00 0.82 0.00 0.00 66.70 66.31 1xsf h VAL 2 Cb 0.00 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1xsf h VAL 2 CO 0.00 0.24 1.46 -0.69 0.02 0.00 0.00 177.57 178.59 1xsf s VAL 3 N -5.22 3.13 0.24 2.57 1.01 -1.26 -4.96 120.40 115.91 1xsf s VAL 3 Ca -0.09 0.12 -0.14 0.00 0.00 0.00 0.00 61.98 61.87 1xsf s VAL 3 Cb 0.16 -3.19 -0.08 0.00 0.00 0.00 0.00 36.38 33.27 1xsf s VAL 3 CO 0.77 -0.13 0.65 -0.69 0.00 0.00 0.00 175.10 175.70 1xsf s VAL 4 N 8.48 4.76 -0.30 2.92 1.01 -1.26 -5.05 120.40 130.95 1xsf s VAL 4 Ca 0.94 0.88 -0.18 0.00 0.00 0.00 0.00 61.98 63.62 1xsf s VAL 4 Cb -0.28 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 1xsf s VAL 4 CO 0.33 0.02 0.52 0.42 0.00 0.00 0.00 175.10 176.39 1xsf s THR 5 N -1.73 5.04 0.62 3.92 -4.23 -1.26 -5.06 115.64 112.94 1xsf s THR 5 Ca 0.46 0.63 -0.10 0.00 -1.18 0.00 0.00 61.69 61.50 1xsf s THR 5 Cb -0.13 -3.90 -0.03 0.00 1.34 0.00 0.00 72.50 69.79 1xsf s THR 5 CO 0.19 -0.07 1.02 -2.84 -0.54 0.00 0.00 174.62 172.38 1xsf s PRO 6 N 2.37 3.42 -0.39 3.99 0.02 -1.26 -5.06 135.00 138.09 1xsf s PRO 6 Ca 0.20 0.61 0.03 0.00 0.02 0.00 0.00 61.00 61.87 1xsf s PRO 6 Cb -0.15 -2.10 0.16 0.00 0.02 0.00 0.00 34.50 32.42 1xsf s PRO 6 CO 0.11 -0.63 0.39 0.00 -0.33 0.00 0.00 177.00 176.54 1xsf s ALA 7 N -3.17 -0.21 -0.55 -1.55 0.00 -1.26 -4.82 121.76 110.20 1xsf s ALA 7 Ca 0.55 -1.23 0.17 0.00 0.00 0.00 0.00 51.96 51.44 1xsf s ALA 7 Cb -0.11 -2.02 -0.21 0.00 0.00 0.00 0.00 23.12 20.79 1xsf s ALA 7 CO 0.52 -2.13 0.61 1.58 0.00 0.00 0.00 175.76 176.34 1xsf n HIS 8 N 3.88 0.00 -2.53 0.00 -0.00 -1.26 -5.01 115.22 110.29 1xsf n HIS 8 Ca 0.15 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.58 1xsf n HIS 8 Cb 0.46 -0.12 -0.01 0.00 -0.00 0.00 0.00 29.99 30.32 1xsf n HIS 8 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 1xsf s GLU 9 N -2.76 3.65 -0.41 1.57 -1.05 -1.26 -5.04 118.70 113.40 1xsf s GLU 9 Ca 0.02 0.45 0.08 0.00 -0.15 0.00 0.00 54.97 55.37 1xsf s GLU 9 Cb 0.12 -2.30 0.25 0.00 -0.44 0.00 0.00 34.13 31.76 1xsf s GLU 9 CO 0.69 -0.23 0.55 0.00 0.95 0.00 0.00 175.26 177.22 1xsf n ALA 10 N -2.02 2.58 -0.33 -0.84 0.00 -1.26 -4.98 120.51 113.66 1xsf n ALA 10 Ca 0.03 -3.54 0.00 0.00 0.00 0.00 0.00 53.44 49.93 1xsf n ALA 10 Cb 0.54 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 1.31 0.00 -1.83 0.00 0.31 -1.26 -5.00 118.33 111.85 1xsf n VAL 11 Ca 0.22 0.34 -0.02 0.00 -0.01 0.00 0.00 64.34 64.87 1xsf n VAL 11 Cb 0.52 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 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 -2.17 -0.24 -2.89 2.52 0.31 -1.26 -4.76 118.33 109.83 1xsf n VAL 12 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 1xsf n VAL 12 Cb 0.00 -0.21 -0.03 0.00 -0.91 0.00 0.00 33.84 32.68 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 -1.12 3.30 0.21 5.55 1.70 -1.26 -4.96 118.95 122.37 1xsf s ARG 13 Ca 0.01 -1.23 0.06 0.00 -0.47 0.00 0.00 55.73 54.10 1xsf s ARG 13 Cb -0.00 -4.52 -0.05 0.00 -0.57 0.00 0.00 34.95 29.81 1xsf s ARG 13 CO 0.06 -1.79 -0.10 0.08 -1.08 0.00 0.00 175.30 172.47 1xsf s VAL 14 N 3.46 1.47 0.00 4.99 1.01 -1.26 -4.94 120.40 125.13 1xsf s VAL 14 Ca 0.26 -2.13 0.00 0.00 0.00 0.00 0.00 61.98 60.11 1xsf s VAL 14 Cb -0.12 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1xsf s VAL 14 CO 0.02 -0.55 0.00 0.61 0.00 0.00 0.00 175.10 175.18 1xsf n GLY 15 N -0.37 0.79 0.20 4.51 0.00 -1.26 -5.00 105.19 104.06 1xsf n GLY 15 Ca -0.08 -0.66 0.09 0.00 0.00 0.00 0.00 46.02 45.37 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 0.47 -3.28 2.61 2.02 -2.04 -3.41 112.91 109.28 1xsf h THR 16 Ca 0.00 -1.42 -0.51 0.00 0.77 0.00 0.00 66.41 65.26 1xsf h THR 16 Cb 0.26 2.03 -0.39 0.00 -1.74 0.00 0.00 68.15 68.31 1xsf h THR 16 CO 0.00 0.24 -0.77 -1.59 0.37 0.00 0.00 175.52 173.76 1xsf s LYS 17 N -3.30 0.89 1.01 6.66 0.00 -1.26 -5.14 119.74 118.60 1xsf s LYS 17 Ca 0.03 -0.30 -0.15 0.00 0.00 0.00 0.00 55.97 55.56 1xsf s LYS 17 Cb 0.08 -1.75 0.20 0.00 0.00 0.00 0.00 37.83 36.35 1xsf s LYS 17 CO 0.67 -0.48 1.16 -2.14 0.00 0.00 0.00 175.35 174.57 1xsf s PRO 18 N 1.82 0.30 0.00 1.78 0.02 -1.26 -4.70 135.00 132.95 1xsf s PRO 18 Ca 0.01 0.09 0.00 0.00 0.02 0.00 0.00 61.00 61.12 1xsf s PRO 18 Cb -0.15 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.61 1xsf s PRO 18 CO -0.07 -2.73 0.00 0.41 -0.33 0.00 0.00 177.00 174.28 1xsf n GLY 19 N -2.01 4.02 0.31 0.52 0.00 -1.26 -4.97 105.19 101.80 1xsf n GLY 19 Ca 0.10 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.40 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 1.12 -2.28 2.61 2.02 -1.94 -3.43 112.91 111.02 1xsf h THR 20 Ca 0.00 -0.25 -0.55 0.00 0.77 0.00 0.00 66.41 66.38 1xsf h THR 20 Cb 0.00 0.47 0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1xsf h THR 20 CO 0.00 0.12 1.19 -1.84 0.37 0.00 0.00 175.52 175.36 1xsf n GLU 21 N -4.46 2.68 -3.11 6.66 0.00 -1.26 -4.95 120.64 116.21 1xsf n GLU 21 Ca 0.04 0.98 -0.39 0.00 0.00 0.00 0.00 57.16 57.79 1xsf n GLU 21 Cb 0.06 -2.91 -0.05 0.00 0.00 0.00 0.00 31.44 28.55 1xsf n GLU 21 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1xsf s VAL 22 N 4.22 5.07 0.40 3.84 1.01 -1.26 -5.04 120.40 128.64 1xsf s VAL 22 Ca 0.89 1.32 -0.25 0.00 0.00 0.00 0.00 61.98 63.94 1xsf s VAL 22 Cb -0.51 -3.99 -0.11 0.00 0.00 0.00 0.00 36.38 31.78 1xsf s VAL 22 CO 0.44 0.25 1.11 -2.65 0.00 0.00 0.00 175.10 174.25 1xsf n PRO 23 N 3.90 1.58 -1.68 2.72 -0.02 -1.26 -4.87 135.00 135.37 1xsf n PRO 23 Ca -0.02 0.56 -0.43 0.00 -2.02 0.00 0.00 63.50 61.59 1xsf n PRO 23 Cb 0.51 -2.15 -0.01 0.00 -0.02 0.00 0.00 33.50 31.83 1xsf n PRO 23 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1xsf n PRO 24 N 0.20 2.00 -4.18 0.52 -0.04 -1.26 -4.98 135.00 127.25 1xsf n PRO 24 Ca 0.08 0.70 -0.34 0.00 -0.04 0.00 0.00 63.50 63.90 1xsf n PRO 24 Cb 0.38 -2.27 -0.11 0.00 -0.04 0.00 0.00 33.50 31.46 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 -0.87 4.22 -0.13 0.52 0.11 -1.26 -4.97 120.40 118.01 1xsf s VAL 25 Ca 0.59 -0.24 0.15 0.00 -2.93 0.00 0.00 61.98 59.55 1xsf s VAL 25 Cb -0.60 -2.88 -0.00 0.00 -1.53 0.00 0.00 36.38 31.36 1xsf s VAL 25 CO 0.59 0.46 1.28 0.40 -3.33 0.00 0.00 175.10 174.51 1xsf h ILE 26 N 5.12 0.82 -0.37 7.04 1.08 -2.05 -3.33 117.51 125.83 1xsf h ILE 26 Ca -0.34 -2.23 0.00 0.00 -0.39 0.00 0.00 64.86 61.90 1xsf h ILE 26 Cb 1.18 2.35 0.00 0.00 -3.07 0.00 0.00 36.82 37.28 1xsf h ILE 26 CO 0.65 0.47 0.00 0.47 -0.69 0.00 0.00 178.15 179.04 1xsf n ASP 27 N -3.15 3.85 0.00 1.72 8.00 -1.26 -4.30 116.55 121.41 1xsf n ASP 27 Ca -0.01 -2.60 0.07 0.00 0.71 0.00 0.00 54.79 52.97 1xsf n ASP 27 Cb 0.77 -0.46 0.33 0.00 -0.02 0.00 0.00 41.12 41.75 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 0.16 -0.91 0.14 0.44 0.00 -1.25 -1.07 105.19 102.70 1xsf n GLY 28 Ca 0.19 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 0.46 -0.02 1.61 0.02 -1.87 0.55 113.55 114.29 1xsf h SER 29 Ca 0.00 -0.39 -0.17 0.00 -0.84 0.00 0.00 61.79 60.39 1xsf h SER 29 Cb 0.21 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 1xsf h SER 29 CO 0.00 1.20 -0.57 0.40 -1.14 0.00 0.00 176.83 176.72 1xsf h ILE 30 N 0.18 1.31 -0.19 3.27 1.08 -1.30 -1.54 117.51 120.33 1xsf h ILE 30 Ca -0.08 -1.81 -0.16 0.00 -0.39 0.00 0.00 64.86 62.42 1xsf h ILE 30 Cb 1.62 1.78 -0.01 0.00 -3.07 0.00 0.00 36.82 37.14 1xsf h ILE 30 CO 0.16 0.57 -0.54 -0.50 -0.69 0.00 0.00 178.15 177.15 1xsf h TRP 31 N 0.47 0.71 -0.05 1.37 -0.00 -1.29 -0.26 115.95 116.89 1xsf h TRP 31 Ca 0.00 -0.25 -0.22 0.00 -0.00 0.00 0.00 58.89 58.43 1xsf h TRP 31 Cb 1.13 -0.13 0.00 0.00 -0.00 0.00 0.00 29.16 30.16 1xsf h TRP 31 CO 0.05 0.98 -0.87 0.22 -0.00 0.00 0.00 178.44 178.83 1xsf h ASP 32 N 0.43 0.63 0.16 -3.49 3.58 -0.83 -1.59 116.42 115.31 1xsf h ASP 32 Ca 0.01 -0.46 -0.14 0.00 0.42 0.00 0.00 57.03 56.86 1xsf h ASP 32 Cb 1.09 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.94 1xsf h ASP 32 CO 0.10 1.24 -0.50 0.00 -2.88 0.00 0.00 179.24 177.21 1xsf h ALA 33 N 0.73 0.88 -0.38 -0.78 0.00 -1.12 0.80 119.26 119.39 1xsf h ALA 33 Ca -0.07 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1xsf h ALA 33 Cb 1.48 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1xsf h ALA 33 CO 0.16 0.67 0.08 0.82 0.00 0.00 0.00 179.25 180.98 1xsf h ILE 34 N 0.31 1.23 -0.53 0.00 2.04 -1.01 -2.40 117.51 117.15 1xsf h ILE 34 Ca 0.01 -0.79 0.02 0.00 1.00 0.00 0.00 64.86 65.10 1xsf h ILE 34 Cb 0.98 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 1xsf h ILE 34 CO 0.08 0.27 0.35 0.00 0.00 0.00 0.00 178.15 178.86 1xsf h ALA 35 N 0.93 1.67 0.00 1.87 0.00 -1.01 0.24 119.26 122.96 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 0.32 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1xsf h ALA 35 CO 0.00 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.96 1xsf n GLY 36 N -1.46 -0.95 0.49 0.00 0.00 0.25 -0.19 105.19 103.33 1xsf n GLY 36 Ca 0.05 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.59 0.10 -0.00 0.00 4.39 -1.49 -3.37 114.58 113.63 1xsf h GLU 38 Ca -0.26 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.26 1xsf h GLU 38 Cb 1.07 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1xsf h GLU 38 CO -0.16 0.81 -0.72 0.00 -1.16 0.00 0.00 179.01 177.78 1xsf n ALA 39 N -2.64 4.02 -1.11 3.43 0.00 -0.62 -4.95 120.51 118.64 1xsf n ALA 39 Ca -0.18 -0.45 -0.04 0.00 0.00 0.00 0.00 53.44 52.77 1xsf n ALA 39 Cb 1.04 -0.57 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 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 1.36 0.68 1.91 0.00 0.00 -0.73 -3.34 105.19 105.06 1xsf n GLY 40 Ca 0.03 -0.62 -0.03 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.28 0.28 2.72 -0.02 0.00 0.74 -4.80 105.19 101.83 1xsf n GLY 41 Ca -0.04 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.96 2.02 0.00 1.61 2.47 -1.21 -4.95 114.94 111.91 1xsf s ASN 42 Ca 0.09 -0.85 0.29 0.00 0.42 0.00 0.00 52.86 52.82 1xsf s ASN 42 Cb -0.01 0.35 1.29 0.00 -1.45 0.00 0.00 41.25 41.43 1xsf s ASN 42 CO 0.18 -0.40 1.89 0.79 -3.72 0.00 0.00 177.10 175.84 1xsf n TRP 43 N 5.30 0.00 -0.64 0.43 7.02 -1.26 -0.74 117.44 127.55 1xsf n TRP 43 Ca -0.03 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.52 1xsf n TRP 43 Cb 0.46 -0.15 0.20 0.00 -2.42 0.00 0.00 31.31 29.40 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 -0.87 2.61 -1.97 6.99 0.00 -1.26 -3.38 120.51 122.63 1xsf n ALA 44 Ca 0.16 -1.82 -0.40 0.00 0.00 0.00 0.00 53.44 51.38 1xsf n ALA 44 Cb 0.26 -0.56 -0.05 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 -2.05 4.19 -0.30 0.00 2.07 -1.09 -4.79 121.20 119.23 1xsf s ILE 45 Ca 0.33 2.02 -0.08 0.00 -1.41 0.00 0.00 60.65 61.50 1xsf s ILE 45 Cb 0.24 -4.29 0.19 0.00 0.13 0.00 0.00 42.46 38.73 1xsf s ILE 45 CO 0.11 0.41 0.95 0.21 -1.91 0.00 0.00 174.94 174.70 1xsf s ASN 46 N -0.64 -0.68 0.06 4.50 2.47 -1.26 -0.37 114.94 119.02 1xsf s ASN 46 Ca 0.44 0.20 0.27 0.00 0.42 0.00 0.00 52.86 54.19 1xsf s ASN 46 Cb -0.26 1.48 0.93 0.00 -1.45 0.00 0.00 41.25 41.95 1xsf s ASN 46 CO 0.32 -0.12 1.74 0.35 -3.72 0.00 0.00 177.10 175.67 1xsf n THR 47 N 5.29 0.16 0.00 -5.21 -2.24 -1.26 -4.88 114.28 106.14 1xsf n THR 47 Ca 0.03 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1xsf n THR 47 Cb 0.55 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1xsf n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xsf n GLY 48 N 1.44 1.31 0.05 3.38 0.00 -1.26 -4.99 105.19 105.12 1xsf n GLY 48 Ca 0.06 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 0.22 0.00 1.61 0.23 -1.26 -4.88 115.26 111.17 1xsf n ASN 49 Ca 0.00 -0.40 0.00 0.00 -0.53 0.00 0.00 54.58 53.65 1xsf n ASN 49 Cb 0.00 -0.16 0.00 0.00 -2.08 0.00 0.00 39.78 37.54 1xsf n ASN 49 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xsf n GLY 50 N 1.26 1.11 3.60 4.83 0.00 -1.26 -5.04 105.19 109.70 1xsf n GLY 50 Ca 0.15 0.00 -0.29 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 -2.27 2.77 0.42 1.61 2.02 -1.26 -2.35 117.35 118.28 1xsf s TYR 51 Ca 0.00 -0.15 0.07 0.00 -0.37 0.00 0.00 57.07 56.62 1xsf s TYR 51 Cb 0.00 -1.41 -0.06 0.00 -0.40 0.00 0.00 41.96 40.09 1xsf s TYR 51 CO 0.00 0.46 0.11 0.71 -1.57 0.00 0.00 175.55 175.26 1xsf s TYR 52 N -1.40 2.53 1.27 2.71 1.51 -0.45 -4.74 117.35 118.78 1xsf s TYR 52 Ca 0.24 -0.64 -0.16 0.00 -1.01 0.00 0.00 57.07 55.50 1xsf s TYR 52 Cb -0.10 -1.87 0.33 0.00 -0.11 0.00 0.00 41.96 40.20 1xsf s TYR 52 CO 0.15 0.29 0.98 0.20 -1.11 0.00 0.00 175.55 176.07 1xsf s GLY 53 N -3.83 1.49 0.00 0.71 0.00 0.50 -2.60 107.32 103.59 1xsf s GLY 53 Ca 0.37 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.78 1xsf s GLY 53 CO 0.20 0.51 0.00 0.61 0.00 0.00 0.00 173.10 174.42 1xsf n GLY 54 N 1.24 1.41 0.22 0.20 0.00 0.08 -3.37 105.19 104.97 1xsf n GLY 54 Ca 0.05 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 0.05 -3.43 1.61 0.24 -1.26 -4.02 118.33 111.51 1xsf n VAL 55 Ca 0.00 -0.13 -0.17 0.00 -2.04 0.00 0.00 64.34 62.00 1xsf n VAL 55 Cb 0.00 -0.04 0.08 0.00 -1.47 0.00 0.00 33.84 32.41 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 -0.41 -5.91 -4.53 7.34 -0.06 -1.07 -4.89 117.38 107.85 1xsf n GLN 56 Ca 0.18 0.83 -0.27 0.00 -2.00 0.00 0.00 57.00 55.75 1xsf n GLN 56 Cb 0.19 -5.80 -0.10 0.00 -4.06 0.00 0.00 30.24 20.47 1xsf n GLN 56 CO 0.00 0.00 0.00 -0.59 -0.20 0.00 0.00 177.06 176.27 1xsf s PHE 57 N -3.39 2.50 0.76 3.69 -0.71 -1.21 -4.70 117.98 114.93 1xsf s PHE 57 Ca 0.06 -0.60 -0.12 0.00 -1.04 0.00 0.00 56.93 55.23 1xsf s PHE 57 Cb -0.01 -1.68 0.05 0.00 -1.21 0.00 0.00 43.02 40.17 1xsf s PHE 57 CO 0.74 0.46 1.12 0.16 -1.34 0.00 0.00 175.22 176.36 1xsf s ASP 58 N -3.70 4.90 0.24 1.98 -4.77 -1.26 -1.34 116.67 112.71 1xsf s ASP 58 Ca 0.35 1.08 -0.06 0.00 -3.30 0.00 0.00 52.55 50.62 1xsf s ASP 58 Cb 0.07 -1.79 0.23 0.00 -1.09 0.00 0.00 42.92 40.34 1xsf s ASP 58 CO 0.18 -1.69 1.88 -0.61 0.70 0.00 0.00 175.17 175.64 1xsf h GLN 59 N -0.90 1.28 -0.03 2.11 5.75 -1.85 0.25 115.11 121.73 1xsf h GLN 59 Ca -0.46 -0.13 -0.00 0.00 -0.15 0.00 0.00 58.65 57.91 1xsf h GLN 59 Cb 1.28 -0.26 -0.00 0.00 1.07 0.00 0.00 27.48 29.56 1xsf h GLN 59 CO 0.63 0.91 0.01 0.78 -2.65 0.00 0.00 178.83 178.51 1xsf h GLY 60 N 1.30 0.06 1.03 2.39 0.00 -1.93 0.41 103.07 106.32 1xsf h GLY 60 Ca 0.33 -0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.54 1xsf h GLY 60 CO -0.06 0.03 -0.05 -0.84 0.00 0.00 0.00 176.54 175.62 1xsf h THR 61 N -0.16 1.27 -0.31 4.70 2.02 -1.94 0.16 112.91 118.66 1xsf h THR 61 Ca 0.01 -1.16 0.04 0.00 0.77 0.00 0.00 66.41 66.08 1xsf h THR 61 Cb 0.22 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 1xsf h THR 61 CO -0.00 0.40 0.07 -0.25 0.37 0.00 0.00 175.52 176.11 1xsf h TRP 62 N 0.75 0.11 -0.23 3.16 2.91 -0.70 -1.33 115.95 120.64 1xsf h TRP 62 Ca 0.13 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 60.07 1xsf h TRP 62 Cb 0.59 -0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.22 1xsf h TRP 62 CO 0.04 0.03 -0.27 1.49 -1.03 0.00 0.00 178.44 178.70 1xsf h GLU 63 N 0.18 0.44 -0.59 2.65 4.81 -0.03 0.27 114.58 122.30 1xsf h GLU 63 Ca 0.14 -0.17 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1xsf h GLU 63 Cb 0.15 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1xsf h GLU 63 CO -0.18 0.68 0.10 0.00 -0.73 0.00 0.00 179.01 178.87 1xsf h ALA 64 N 1.33 0.78 -0.00 2.92 0.00 0.22 -1.43 119.26 123.09 1xsf h ALA 64 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.71 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 0.53 -0.14 0.09 0.00 0.00 0.00 179.25 179.79 1xsf n ASN 65 N -4.31 0.17 -0.42 0.00 3.02 -0.59 -4.94 115.26 108.19 1xsf n ASN 65 Ca 0.03 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 1xsf n ASN 65 Cb 0.27 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 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 1.46 0.48 0.09 7.41 0.00 -0.54 -4.89 105.19 109.21 1xsf n GLY 66 Ca 0.08 -0.21 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 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 1.65 -0.02 0.00 -0.69 -3.33 103.07 100.68 1xsf h GLY 67 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1xsf h GLY 67 CO 0.00 0.00 0.15 1.41 0.00 0.00 0.00 176.54 178.10 1xsf h LEU 68 N 0.00 0.00 -1.12 3.11 4.07 -1.77 0.43 115.31 120.02 1xsf h LEU 68 Ca -0.02 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.85 1xsf h LEU 68 Cb 1.64 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.37 1xsf h LEU 68 CO 0.10 0.00 -0.34 0.08 -1.08 0.00 0.00 178.44 177.20 1xsf h ARG 69 N 0.00 0.17 0.14 1.13 0.11 -1.97 -2.41 114.38 111.55 1xsf h ARG 69 Ca 0.04 -0.07 -0.31 0.00 0.10 0.00 0.00 59.98 59.74 1xsf h ARG 69 Cb 0.35 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.42 1xsf h ARG 69 CO -0.00 0.50 -1.55 1.88 0.10 0.00 0.00 179.97 180.90 1xsf h TYR 70 N 0.15 0.53 0.00 4.08 0.05 -0.50 -3.48 116.97 117.80 1xsf h TYR 70 Ca 0.02 -0.39 0.00 0.00 0.05 0.00 0.00 58.73 58.41 1xsf h TYR 70 Cb 0.68 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.40 1xsf h TYR 70 CO 0.01 1.43 0.00 0.00 -1.05 0.00 0.00 178.16 178.55 1xsf n ALA 71 N -2.69 0.00 0.00 3.88 0.00 0.10 -4.75 120.51 117.04 1xsf n ALA 71 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1xsf n ALA 71 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.50 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 -3.75 0.00 -0.02 -1.17 -3.28 135.00 126.78 1xsf n PRO 72 Ca 0.00 0.25 -0.13 0.00 -2.02 0.00 0.00 63.50 61.60 1xsf n PRO 72 Cb 0.00 -1.55 -0.11 0.00 -0.02 0.00 0.00 33.50 31.83 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 -2.43 0.42 0.63 -0.52 1.70 -1.26 -4.74 118.95 112.74 1xsf s ARG 73 Ca 0.00 0.46 0.34 0.00 -0.47 0.00 0.00 55.73 56.07 1xsf s ARG 73 Cb 0.00 0.20 1.93 0.00 -0.57 0.00 0.00 34.95 36.51 1xsf s ARG 73 CO 0.00 -0.05 2.18 0.00 -1.08 0.00 0.00 175.30 176.35 1xsf h ALA 74 N 5.53 1.43 0.00 7.88 0.00 -1.87 -0.60 119.26 131.63 1xsf h ALA 74 Ca -0.27 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1xsf h ALA 74 Cb 1.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1xsf h ALA 74 CO 0.29 -0.17 -0.26 0.22 0.00 0.00 0.00 179.25 179.33 1xsf h ASP 75 N 0.00 0.00 0.47 0.00 1.82 -1.80 -3.01 116.42 113.90 1xsf h ASP 75 Ca 0.03 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.37 1xsf h ASP 75 Cb 0.30 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.27 1xsf h ASP 75 CO -0.00 0.26 -1.64 0.25 -1.61 0.00 0.00 179.24 176.50 1xsf h LEU 76 N 0.00 0.17-10.31 2.28 5.85 -1.40 -3.40 115.31 108.50 1xsf h LEU 76 Ca -0.00 -0.30 -0.50 0.00 0.84 0.00 0.00 57.88 57.91 1xsf h LEU 76 Cb 1.04 -0.05 0.05 0.00 0.37 0.00 0.00 40.66 42.07 1xsf h LEU 76 CO 0.03 1.26 0.40 0.00 -0.34 0.00 0.00 178.44 179.80 1xsf s ALA 77 N -2.61 3.03 0.15 1.25 0.00 -0.71 -4.97 121.76 117.89 1xsf s ALA 77 Ca -0.08 0.02 0.02 0.00 0.00 0.00 0.00 51.96 51.92 1xsf s ALA 77 Cb 0.08 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 20.11 1xsf s ALA 77 CO 0.82 -0.65 0.19 0.25 0.00 0.00 0.00 175.76 176.37 1xsf n THR 78 N -2.49 0.00 -0.12 0.00 -2.24 -1.26 -4.85 114.28 103.32 1xsf n THR 78 Ca 0.06 -0.51 -0.06 0.00 -2.27 0.00 0.00 64.05 61.28 1xsf n THR 78 Cb 0.54 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 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 -0.16 -0.26 -0.78 3.08 -1.96 -0.46 114.38 113.85 1xsf h ARG 79 Ca -0.07 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1xsf h ARG 79 Cb 0.32 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1xsf h ARG 79 CO 0.11 -0.11 0.02 1.05 -1.07 0.00 0.00 179.97 179.97 1xsf h GLU 80 N -0.17 0.38 -0.06 0.04 4.11 -1.97 0.35 114.58 117.25 1xsf h GLU 80 Ca 0.19 -0.06 -0.05 0.00 0.07 0.00 0.00 59.36 59.51 1xsf h GLU 80 Cb 0.47 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1xsf h GLU 80 CO -0.50 0.39 -0.15 0.93 0.07 0.00 0.00 179.01 179.75 1xsf h GLU 81 N 0.37 0.21 -0.97 1.06 5.08 -1.63 0.19 114.58 118.89 1xsf h GLU 81 Ca 0.09 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1xsf h GLU 81 Cb 0.21 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1xsf h GLU 81 CO 0.00 0.75 0.64 1.96 -1.00 0.00 0.00 179.01 181.36 1xsf h GLN 82 N -0.29 1.25 -0.03 2.33 7.50 -0.71 -1.44 115.11 123.73 1xsf h GLN 82 Ca -0.00 -0.07 0.00 0.00 0.50 0.00 0.00 58.65 59.07 1xsf h GLN 82 Cb 0.75 -0.28 -0.00 0.00 0.05 0.00 0.00 27.48 28.00 1xsf h GLN 82 CO 0.03 0.82 0.02 0.82 -1.50 0.00 0.00 178.83 179.02 1xsf h ILE 83 N 1.28 1.01 -0.38 2.54 2.04 -0.21 0.62 117.51 124.41 1xsf h ILE 83 Ca 0.37 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 66.20 1xsf h ILE 83 Cb -0.09 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1xsf h ILE 83 CO -0.09 0.01 0.23 0.00 0.00 0.00 0.00 178.15 178.30 1xsf h ALA 84 N 1.00 0.49 -0.10 1.87 0.00 -0.02 0.74 119.26 123.24 1xsf h ALA 84 Ca 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1xsf h ALA 84 Cb 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1xsf h ALA 84 CO -0.00 -0.02 -0.01 0.28 0.00 0.00 0.00 179.25 179.50 1xsf h VAL 85 N 0.50 1.26 -0.00 0.00 2.07 -1.23 -2.09 116.25 116.76 1xsf h VAL 85 Ca 0.14 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1xsf h VAL 85 Cb -0.00 1.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1xsf h VAL 85 CO -0.03 0.24 0.00 0.00 0.02 0.00 0.00 177.57 177.81 1xsf h ALA 86 N 0.73 1.85 -0.52 1.67 0.00 -0.67 -2.48 119.26 119.84 1xsf h ALA 86 Ca 0.03 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1xsf h ALA 86 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1xsf h ALA 86 CO 0.01 -0.01 0.33 0.93 0.00 0.00 0.00 179.25 180.51 1xsf h GLU 87 N 0.00 0.64 -0.47 0.00 4.39 0.12 0.88 114.58 120.14 1xsf h GLU 87 Ca 0.00 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 1xsf h GLU 87 Cb 0.01 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 1xsf h GLU 87 CO -0.00 0.42 0.02 0.28 -1.16 0.00 0.00 179.01 178.57 1xsf h VAL 88 N 0.66 1.26 -0.36 3.13 2.07 -1.27 -2.58 116.25 119.17 1xsf h VAL 88 Ca 0.20 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 1xsf h VAL 88 Cb -0.02 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1xsf h VAL 88 CO -0.07 0.36 0.11 0.74 0.02 0.00 0.00 177.57 178.73 1xsf h THR 89 N 0.68 1.21 -0.13 2.57 2.02 -0.99 -3.01 112.91 115.26 1xsf h THR 89 Ca 0.14 -0.68 -0.11 0.00 0.77 0.00 0.00 66.41 66.52 1xsf h THR 89 Cb 0.48 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1xsf h THR 89 CO 0.02 0.24 -0.42 0.08 0.37 0.00 0.00 175.52 175.80 1xsf h ARG 90 N 0.43 0.31 0.00 6.66 0.11 0.77 -2.11 114.38 120.54 1xsf h ARG 90 Ca 0.12 -0.15 -0.04 0.00 0.10 0.00 0.00 59.98 60.00 1xsf h ARG 90 Cb 0.25 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.33 1xsf h ARG 90 CO -0.00 0.68 -0.19 1.37 0.10 0.00 0.00 179.97 181.93 1xsf h LEU 91 N 0.25 0.00 0.12 0.08 8.10 -1.32 0.96 115.31 123.52 1xsf h LEU 91 Ca 0.02 0.00 -0.25 0.00 0.11 0.00 0.00 57.88 57.76 1xsf h LEU 91 Cb 0.86 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.08 1xsf h LEU 91 CO 0.07 0.19 -1.26 0.03 -4.11 0.00 0.00 178.44 173.36 1xsf h ARG 92 N 0.00 0.26 0.00 0.17 3.08 -1.52 -3.40 114.38 112.98 1xsf h ARG 92 Ca -0.00 -0.45 -0.22 0.00 0.07 0.00 0.00 59.98 59.37 1xsf h ARG 92 Cb 0.58 0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.76 1xsf h ARG 92 CO 0.02 1.22 -1.41 1.96 -1.07 0.00 0.00 179.97 180.69 1xsf h GLN 93 N -0.31 0.00 -1.15 0.04 4.20 -0.78 -3.48 115.11 113.62 1xsf h GLN 93 Ca -0.26 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.34 1xsf h GLN 93 Cb 1.74 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.52 1xsf h GLN 93 CO 0.09 0.50 -0.15 0.41 -0.67 0.00 0.00 178.83 179.01 1xsf n GLY 94 N 1.45 0.26 3.15 3.46 0.00 0.33 -2.39 105.19 111.44 1xsf n GLY 94 Ca -0.10 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.78 0.00 -0.22 1.61 7.02 -1.23 -4.75 117.44 116.08 1xsf n TRP 95 Ca -0.05 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.38 1xsf n TRP 95 Cb 0.54 -1.13 0.05 0.00 -2.42 0.00 0.00 31.31 28.35 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 0.91 2.00 6.99 0.00 -1.81 -1.77 103.07 109.39 1xsf h GLY 96 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1xsf h GLY 96 CO 0.00 0.29 -0.06 0.00 0.00 0.00 0.00 176.54 176.78 1xsf h ALA 97 N 1.25 1.02 -2.08 3.60 0.00 -1.89 -3.38 119.26 117.78 1xsf h ALA 97 Ca 0.24 -0.05 -0.64 0.00 0.00 0.00 0.00 54.91 54.46 1xsf h ALA 97 Cb -0.05 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.59 1xsf h ALA 97 CO -0.07 0.07 0.25 -1.58 0.00 0.00 0.00 179.25 177.91 1xsf s TRP 98 N -3.72 3.00 0.00 0.00 0.51 -0.66 -5.04 118.94 113.03 1xsf s TRP 98 Ca 0.00 -0.04 0.00 0.00 -2.12 0.00 0.00 56.10 53.95 1xsf s TRP 98 Cb 0.10 -3.57 0.00 0.00 -0.81 0.00 0.00 33.47 29.19 1xsf s TRP 98 CO 0.56 -0.99 0.00 -2.30 -0.51 0.00 0.00 176.95 173.71 1xsf n PRO 99 N 6.55 2.80 0.16 4.98 -0.02 -1.26 -3.93 135.00 144.28 1xsf n PRO 99 Ca -0.00 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.66 1xsf n PRO 99 Cb 0.48 0.00 0.79 0.00 -0.02 0.00 0.00 33.50 34.75 1xsf n PRO 99 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1xsf h VAL 100 N 0.00 0.46 -0.96 -1.45 3.04 -1.95 0.12 116.25 115.51 1xsf h VAL 100 Ca 0.00 0.00 0.09 0.00 -1.01 0.00 0.00 66.70 65.78 1xsf h VAL 100 Cb 0.00 0.77 -0.07 0.00 -2.01 0.00 0.00 31.29 29.98 1xsf h VAL 100 CO 0.00 0.00 0.61 0.00 -1.01 0.00 0.00 177.57 177.17 1xsf h ALA 102 N 1.52 0.42 -0.51 0.00 0.00 -0.87 -0.73 119.26 119.10 1xsf h ALA 102 Ca 0.44 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1xsf h ALA 102 Cb 0.36 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1xsf h ALA 102 CO -0.20 0.55 0.14 0.00 0.00 0.00 0.00 179.25 179.74 1xsf h ALA 103 N 0.67 0.67 -0.07 0.00 0.00 -1.38 0.20 119.26 119.36 1xsf h ALA 103 Ca 0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1xsf h ALA 103 Cb 1.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1xsf h ALA 103 CO 0.10 0.35 -0.10 0.00 0.00 0.00 0.00 179.25 179.60 1xsf h ARG 104 N 0.71 0.10 0.00 0.00 3.08 -0.39 -2.39 114.38 115.49 1xsf h ARG 104 Ca 0.16 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1xsf h ARG 104 Cb 0.31 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1xsf h ARG 104 CO -0.00 0.21 -0.63 0.00 -1.07 0.00 0.00 179.97 178.48 1xsf h ALA 105 N 1.80 0.72 0.00 0.04 0.00 -0.43 -3.49 119.26 117.90 1xsf h ALA 105 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1xsf h ALA 105 Cb 0.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1xsf h ALA 105 CO 0.02 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.86 1xsf n GLY 106 N 1.18 0.80 3.69 0.00 0.00 0.56 -4.35 105.19 107.07 1xsf n GLY 106 Ca 0.01 -0.76 -0.38 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 n ALA 107 N 0.00 0.92 -1.54 4.61 0.00 -0.30 -4.93 120.51 119.27 1xsf n ALA 107 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1xsf n ALA 107 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.21 1xsf n ALA 107 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39