#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 1.37 -3.18 2.41 3.04 -2.13 -3.42 116.25 114.34 1xsf h VAL 2 Ca 0.00 -2.07 -0.57 0.00 -1.01 0.00 0.00 66.70 63.05 1xsf h VAL 2 Cb 0.00 2.44 -0.05 0.00 -2.01 0.00 0.00 31.29 31.67 1xsf h VAL 2 CO 0.00 0.62 0.95 0.54 -1.01 0.00 0.00 177.57 178.67 1xsf s VAL 3 N -3.35 4.19 0.09 1.51 0.11 -1.26 -5.01 120.40 116.67 1xsf s VAL 3 Ca -0.12 1.34 -0.04 0.00 -2.93 0.00 0.00 61.98 60.23 1xsf s VAL 3 Cb 0.05 -4.20 -0.05 0.00 -1.53 0.00 0.00 36.38 30.65 1xsf s VAL 3 CO 0.85 -0.49 0.30 -0.69 -3.33 0.00 0.00 175.10 171.75 1xsf s VAL 4 N 4.28 5.26 -0.38 2.04 1.01 -1.26 -5.06 120.40 126.29 1xsf s VAL 4 Ca 0.55 -0.06 -0.27 0.00 0.00 0.00 0.00 61.98 62.20 1xsf s VAL 4 Cb -0.16 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.63 1xsf s VAL 4 CO 0.22 0.14 1.01 0.42 0.00 0.00 0.00 175.10 176.90 1xsf s THR 5 N -1.53 4.47 0.90 3.92 -4.23 -1.26 -5.03 115.64 112.88 1xsf s THR 5 Ca 0.36 1.33 -0.12 0.00 -1.18 0.00 0.00 61.69 62.08 1xsf s THR 5 Cb -0.13 -4.42 0.13 0.00 1.34 0.00 0.00 72.50 69.42 1xsf s THR 5 CO 0.24 -0.64 1.15 -2.84 -0.54 0.00 0.00 174.62 171.98 1xsf s PRO 6 N 3.76 1.23 -0.48 3.99 0.02 -1.26 -4.95 135.00 137.31 1xsf s PRO 6 Ca 0.42 0.25 0.00 0.00 0.02 0.00 0.00 61.00 61.69 1xsf s PRO 6 Cb -0.11 -1.85 0.45 0.00 0.02 0.00 0.00 34.50 33.01 1xsf s PRO 6 CO 0.21 -2.13 1.92 0.00 -0.33 0.00 0.00 177.00 176.67 1xsf n ALA 7 N -3.71 5.57 1.02 -1.55 0.00 -1.26 -3.98 120.51 116.60 1xsf n ALA 7 Ca 0.07 -2.67 0.12 0.00 0.00 0.00 0.00 53.44 50.95 1xsf n ALA 7 Cb 0.60 -1.53 0.57 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.66 0.00 -1.41 0.00 -0.00 -1.26 -4.83 115.22 107.07 1xsf n HIS 8 Ca 0.51 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.91 1xsf n HIS 8 Cb 0.99 -0.37 0.08 0.00 -0.00 0.00 0.00 29.99 30.70 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 -2.74 2.31 -0.43 1.57 -1.05 -1.26 -5.02 118.70 112.08 1xsf s GLU 9 Ca 0.19 1.37 0.05 0.00 -0.15 0.00 0.00 54.97 56.42 1xsf s GLU 9 Cb 0.16 -1.89 0.19 0.00 -0.44 0.00 0.00 34.13 32.15 1xsf s GLU 9 CO 0.40 -1.63 0.45 0.00 0.95 0.00 0.00 175.26 175.43 1xsf n ALA 10 N -3.09 1.79 -0.51 -0.84 0.00 -1.26 -5.01 120.51 111.59 1xsf n ALA 10 Ca 0.10 -2.69 0.00 0.00 0.00 0.00 0.00 53.44 50.85 1xsf n ALA 10 Cb 0.52 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1xsf n ALA 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xsf n VAL 11 N 2.66 0.00 -1.54 0.00 0.31 -1.26 -4.70 118.33 113.81 1xsf n VAL 11 Ca 0.26 0.80 -0.08 0.00 -0.01 0.00 0.00 64.34 65.32 1xsf n VAL 11 Cb 0.51 -1.58 0.01 0.00 -0.91 0.00 0.00 33.84 31.87 1xsf n VAL 11 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1xsf n VAL 12 N -1.23 -0.87 -2.85 2.52 3.14 -1.26 -4.80 118.33 112.98 1xsf n VAL 12 Ca 0.00 0.05 -0.43 0.00 -2.96 0.00 0.00 64.34 61.00 1xsf n VAL 12 Cb 0.00 -0.87 -0.04 0.00 -1.06 0.00 0.00 33.84 31.87 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 -0.54 3.13 0.22 1.45 0.52 -1.26 -4.77 118.95 117.70 1xsf s ARG 13 Ca 0.08 -0.76 0.02 0.00 -0.52 0.00 0.00 55.73 54.55 1xsf s ARG 13 Cb -0.01 -4.21 -0.05 0.00 0.52 0.00 0.00 34.95 31.21 1xsf s ARG 13 CO 0.17 -1.78 0.03 0.08 0.02 0.00 0.00 175.30 173.82 1xsf s VAL 14 N 4.06 0.78 0.00 3.52 1.01 -1.26 -5.07 120.40 123.44 1xsf s VAL 14 Ca 0.23 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.21 1xsf s VAL 14 Cb -0.16 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.87 1xsf s VAL 14 CO 0.11 -0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.54 1xsf n GLY 15 N -0.37 -0.26 0.07 4.51 0.00 -1.26 -4.83 105.19 103.05 1xsf n GLY 15 Ca -0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 1xsf n GLY 15 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xsf n THR 16 N 0.00 0.93 -1.53 2.61 -1.04 -1.26 -4.96 114.28 109.03 1xsf n THR 16 Ca 0.00 -0.69 -0.57 0.00 -2.04 0.00 0.00 64.05 60.75 1xsf n THR 16 Cb 0.00 -0.45 -0.08 0.00 -1.82 0.00 0.00 70.33 67.98 1xsf n THR 16 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1xsf n LYS 17 N -2.67 0.76 -1.27 -2.82 4.76 -1.26 -4.94 118.16 110.72 1xsf n LYS 17 Ca -0.15 0.25 -0.30 0.00 -2.87 0.00 0.00 58.31 55.23 1xsf n LYS 17 Cb 0.86 -2.02 0.11 0.00 -1.84 0.00 0.00 35.03 32.14 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 4.88 1.80 -0.15 1.97 0.02 -1.26 -5.00 135.00 137.26 1xsf s PRO 18 Ca 1.07 0.95 0.18 0.00 0.02 0.00 0.00 61.00 63.23 1xsf s PRO 18 Cb -1.14 -1.86 0.44 0.00 0.02 0.00 0.00 34.50 31.96 1xsf s PRO 18 CO 0.62 -1.90 1.18 0.41 -0.33 0.00 0.00 177.00 176.98 1xsf n GLY 19 N -1.27 3.09 0.17 0.52 0.00 -1.26 -4.81 105.19 101.62 1xsf n GLY 19 Ca 0.08 -1.26 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 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 4.33 0.81 -2.52 2.61 2.02 -2.03 -3.41 112.91 114.72 1xsf h THR 20 Ca -0.07 -0.46 -0.35 0.00 0.77 0.00 0.00 66.41 66.30 1xsf h THR 20 Cb 1.47 1.07 -0.36 0.00 -1.74 0.00 0.00 68.15 68.59 1xsf h THR 20 CO 0.17 0.10 -0.65 -1.61 0.37 0.00 0.00 175.52 173.90 1xsf s GLU 21 N -5.13 0.20 -0.43 6.66 2.02 -1.26 -5.12 118.70 115.64 1xsf s GLU 21 Ca -0.15 0.06 -0.20 0.00 0.02 0.00 0.00 54.97 54.70 1xsf s GLU 21 Cb 0.03 -1.16 0.02 0.00 0.10 0.00 0.00 34.13 33.12 1xsf s GLU 21 CO 0.60 -0.75 0.62 0.54 0.02 0.00 0.00 175.26 176.29 1xsf s VAL 22 N 2.30 4.86 0.75 2.63 0.11 -1.26 -5.05 120.40 124.73 1xsf s VAL 22 Ca 0.07 0.12 -0.14 0.00 -2.93 0.00 0.00 61.98 59.10 1xsf s VAL 22 Cb -0.15 -4.17 0.05 0.00 -1.53 0.00 0.00 36.38 30.57 1xsf s VAL 22 CO -0.18 -0.55 1.19 -2.84 -3.33 0.00 0.00 175.10 169.40 1xsf s PRO 23 N 2.74 2.06 0.34 1.54 0.02 -1.26 -4.96 135.00 135.48 1xsf s PRO 23 Ca 0.22 1.69 -0.27 0.00 0.02 0.00 0.00 61.00 62.66 1xsf s PRO 23 Cb -0.14 -1.83 -0.13 0.00 0.02 0.00 0.00 34.50 32.42 1xsf s PRO 23 CO 0.18 -1.88 1.11 -0.35 -0.33 0.00 0.00 177.00 175.74 1xsf n PRO 24 N -2.89 1.64 -2.67 5.54 -0.04 -1.26 -4.83 135.00 130.48 1xsf n PRO 24 Ca 0.13 0.58 -0.43 0.00 -0.04 0.00 0.00 63.50 63.74 1xsf n PRO 24 Cb 0.51 -2.07 -0.02 0.00 -0.04 0.00 0.00 33.50 31.87 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 -1.12 4.75 -0.11 0.52 1.01 -1.26 -4.91 120.40 119.27 1xsf s VAL 25 Ca 0.58 2.03 0.14 0.00 0.00 0.00 0.00 61.98 64.73 1xsf s VAL 25 Cb -0.62 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.46 1xsf s VAL 25 CO 0.60 -0.02 1.34 0.40 0.00 0.00 0.00 175.10 177.42 1xsf h ILE 26 N 5.15 0.94 -0.03 2.22 1.08 -2.02 -3.15 117.51 121.70 1xsf h ILE 26 Ca -0.29 -2.37 0.00 0.00 -0.39 0.00 0.00 64.86 61.81 1xsf h ILE 26 Cb 1.13 2.44 0.00 0.00 -3.07 0.00 0.00 36.82 37.32 1xsf h ILE 26 CO 0.88 0.54 0.00 0.47 -0.69 0.00 0.00 178.15 179.34 1xsf n ASP 27 N -3.20 0.75 0.00 1.72 9.92 -1.26 -3.19 116.55 121.29 1xsf n ASP 27 Ca 0.00 -1.34 0.05 0.00 -0.53 0.00 0.00 54.79 52.97 1xsf n ASP 27 Cb 0.78 -0.02 0.24 0.00 -0.64 0.00 0.00 41.12 41.49 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 1.05 -0.57 0.18 0.44 0.00 -1.19 -0.95 105.19 104.15 1xsf n GLY 28 Ca 0.20 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 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 0.86 -0.58 1.61 0.02 -1.81 0.42 113.55 114.07 1xsf h SER 29 Ca 0.00 -0.80 -0.08 0.00 -0.84 0.00 0.00 61.79 60.07 1xsf h SER 29 Cb 0.08 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1xsf h SER 29 CO 0.00 1.56 0.06 0.40 -1.14 0.00 0.00 176.83 177.72 1xsf h ILE 30 N 0.27 1.26 -0.16 3.27 1.08 -1.23 -0.68 117.51 121.32 1xsf h ILE 30 Ca -0.16 -1.04 -0.18 0.00 -0.39 0.00 0.00 64.86 63.09 1xsf h ILE 30 Cb 1.81 0.72 -0.00 0.00 -3.07 0.00 0.00 36.82 36.28 1xsf h ILE 30 CO 0.22 0.38 -0.63 -0.50 -0.69 0.00 0.00 178.15 176.94 1xsf h TRP 31 N 0.94 0.72 -0.10 1.37 -0.00 -1.36 -1.00 115.95 116.52 1xsf h TRP 31 Ca 0.18 -0.28 -0.17 0.00 -0.00 0.00 0.00 58.89 58.62 1xsf h TRP 31 Cb 0.46 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 29.48 1xsf h TRP 31 CO 0.03 1.03 -0.66 0.22 -0.00 0.00 0.00 178.44 179.06 1xsf h ASP 32 N 0.41 0.45 -0.27 -3.49 1.82 0.02 0.17 116.42 115.53 1xsf h ASP 32 Ca -0.01 -0.28 -0.11 0.00 -0.39 0.00 0.00 57.03 56.25 1xsf h ASP 32 Cb 1.19 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 41.05 1xsf h ASP 32 CO 0.12 0.99 -0.19 0.00 -1.61 0.00 0.00 179.24 178.54 1xsf h ALA 33 N 1.01 0.94 -0.19 -0.78 0.00 -0.89 0.28 119.26 119.64 1xsf h ALA 33 Ca -0.02 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1xsf h ALA 33 Cb 1.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1xsf h ALA 33 CO 0.11 0.61 -0.06 0.82 0.00 0.00 0.00 179.25 180.74 1xsf h ILE 34 N 0.65 1.29 -0.49 0.00 2.04 -0.99 -2.19 117.51 117.82 1xsf h ILE 34 Ca 0.10 -1.05 0.03 0.00 1.00 0.00 0.00 64.86 64.94 1xsf h ILE 34 Cb 0.68 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 1xsf h ILE 34 CO 0.05 0.32 0.33 0.00 0.00 0.00 0.00 178.15 178.84 1xsf h ALA 35 N 0.72 1.78 0.00 1.87 0.00 -0.41 0.23 119.26 123.44 1xsf h ALA 35 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xsf h ALA 35 Cb 0.51 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xsf h ALA 35 CO 0.02 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.85 1xsf n GLY 36 N -1.48 -1.29 0.09 0.00 0.00 0.97 -0.35 105.19 103.12 1xsf n GLY 36 Ca 0.05 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.00 0.00 0.00 0.00 5.08 -1.30 -3.35 114.58 114.01 1xsf h GLU 38 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1xsf h GLU 38 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1xsf h GLU 38 CO -0.06 0.30 -0.92 0.00 -1.00 0.00 0.00 179.01 177.33 1xsf n ALA 39 N -2.38 3.37 -1.01 3.43 0.00 -0.62 -4.96 120.51 118.34 1xsf n ALA 39 Ca -0.08 -0.36 -0.00 0.00 0.00 0.00 0.00 53.44 52.99 1xsf n ALA 39 Cb 0.83 -0.48 -0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 0.47 1.60 0.00 0.00 -0.73 -3.68 105.19 104.28 1xsf n GLY 40 Ca 0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.78 0.63 2.70 -0.02 0.00 0.52 -4.80 105.19 101.44 1xsf n GLY 41 Ca -0.00 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.88 1.96 0.00 1.61 2.47 -1.24 -4.95 114.94 111.91 1xsf s ASN 42 Ca 0.02 -1.15 0.30 0.00 0.42 0.00 0.00 52.86 52.46 1xsf s ASN 42 Cb -0.00 0.31 1.59 0.00 -1.45 0.00 0.00 41.25 41.69 1xsf s ASN 42 CO 0.04 -0.36 2.05 0.79 -3.72 0.00 0.00 177.10 175.91 1xsf n TRP 43 N 4.95 0.00 -0.10 0.43 7.02 -1.26 -0.90 117.44 127.57 1xsf n TRP 43 Ca 0.02 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.53 1xsf n TRP 43 Cb 0.45 -0.06 0.10 0.00 -2.42 0.00 0.00 31.31 29.38 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 -0.80 2.14 -1.77 6.99 0.00 -1.26 -3.63 120.51 122.18 1xsf n ALA 44 Ca 0.20 -1.07 -0.38 0.00 0.00 0.00 0.00 53.44 52.18 1xsf n ALA 44 Cb 0.20 -0.30 -0.03 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.98 3.37 -0.32 0.00 2.07 -1.03 -4.65 121.20 119.66 1xsf s ILE 45 Ca 0.16 1.20 0.02 0.00 -1.41 0.00 0.00 60.65 60.62 1xsf s ILE 45 Cb 0.08 -3.69 0.16 0.00 0.13 0.00 0.00 42.46 39.14 1xsf s ILE 45 CO 0.11 0.15 0.40 0.21 -1.91 0.00 0.00 174.94 173.89 1xsf s ASN 46 N -1.14 0.68 0.33 4.50 3.84 -1.26 0.23 114.94 122.12 1xsf s ASN 46 Ca 0.53 -0.77 0.26 0.00 0.21 0.00 0.00 52.86 53.10 1xsf s ASN 46 Cb -0.29 0.92 0.89 0.00 -0.55 0.00 0.00 41.25 42.23 1xsf s ASN 46 CO 0.37 -0.33 1.77 0.71 -2.79 0.00 0.00 177.10 176.83 1xsf h THR 47 N 5.84 0.00 0.00 -5.21 1.35 -1.96 -3.46 112.91 109.47 1xsf h THR 47 Ca -0.05 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1xsf h THR 47 Cb 1.10 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1xsf h THR 47 CO 0.25 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.13 1xsf n GLY 48 N 0.61 1.05 0.63 5.82 0.00 -1.26 -4.97 105.19 107.06 1xsf n GLY 48 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 1.92 0.00 1.61 6.94 -1.26 -4.89 115.26 119.59 1xsf n ASN 49 Ca 0.00 -1.71 0.00 0.00 -0.02 0.00 0.00 54.58 52.85 1xsf n ASN 49 Cb 0.00 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.33 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 1.20 0.66 3.78 4.83 0.00 -1.26 -5.03 105.19 109.37 1xsf n GLY 50 Ca 0.17 0.00 -0.22 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 -2.45 2.88 0.37 1.61 2.02 -1.26 -1.31 117.35 119.22 1xsf s TYR 51 Ca 0.00 -0.25 0.06 0.00 -0.37 0.00 0.00 57.07 56.51 1xsf s TYR 51 Cb 0.00 -1.53 -0.07 0.00 -0.40 0.00 0.00 41.96 39.96 1xsf s TYR 51 CO 0.00 0.40 0.02 0.71 -1.57 0.00 0.00 175.55 175.12 1xsf s TYR 52 N -2.28 2.29 0.80 2.71 1.51 0.13 -4.53 117.35 117.97 1xsf s TYR 52 Ca 0.36 -0.78 -0.12 0.00 -1.01 0.00 0.00 57.07 55.52 1xsf s TYR 52 Cb -0.06 -1.56 0.08 0.00 -0.11 0.00 0.00 41.96 40.31 1xsf s TYR 52 CO 0.24 0.28 1.14 0.20 -1.11 0.00 0.00 175.55 176.30 1xsf s GLY 53 N -3.61 1.91 0.00 0.71 0.00 0.14 -2.95 107.32 103.51 1xsf s GLY 53 Ca 0.35 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.65 1xsf s GLY 53 CO 0.17 0.96 0.00 0.61 0.00 0.00 0.00 173.10 174.84 1xsf n GLY 54 N -0.21 1.00 1.08 0.20 0.00 -0.08 -4.25 105.19 102.92 1xsf n GLY 54 Ca 0.11 -1.02 0.07 0.00 0.00 0.00 0.00 46.02 45.19 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 1.02 -3.38 1.61 0.24 -1.26 -4.17 118.33 112.39 1xsf n VAL 55 Ca 0.00 -0.75 -0.16 0.00 -2.04 0.00 0.00 64.34 61.38 1xsf n VAL 55 Cb 0.00 0.14 0.09 0.00 -1.47 0.00 0.00 33.84 32.59 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 0.81 -6.39 -1.79 7.34 7.27 -1.15 -4.96 117.38 118.51 1xsf n GLN 56 Ca 0.17 0.82 -0.42 0.00 0.07 0.00 0.00 57.00 57.64 1xsf n GLN 56 Cb 0.56 -5.74 -0.02 0.00 2.41 0.00 0.00 30.24 27.45 1xsf n GLN 56 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 1xsf s PHE 57 N -3.35 2.81 0.63 3.69 0.08 -1.22 -4.59 117.98 116.03 1xsf s PHE 57 Ca 0.01 0.71 -0.14 0.00 0.12 0.00 0.00 56.93 57.62 1xsf s PHE 57 Cb -0.00 -4.06 -0.02 0.00 -0.57 0.00 0.00 43.02 38.37 1xsf s PHE 57 CO 0.70 -3.66 1.06 0.16 -0.10 0.00 0.00 175.22 173.38 1xsf s ASP 58 N 0.64 5.61 0.32 1.36 -4.77 -1.26 0.19 116.67 118.76 1xsf s ASP 58 Ca 0.65 1.78 0.06 0.00 -3.30 0.00 0.00 52.55 51.75 1xsf s ASP 58 Cb -0.48 -2.52 0.74 0.00 -1.09 0.00 0.00 42.92 39.57 1xsf s ASP 58 CO 0.44 -1.29 1.81 -0.61 0.70 0.00 0.00 175.17 176.22 1xsf h GLN 59 N 0.09 0.75 0.05 2.11 5.75 -1.56 -1.31 115.11 120.99 1xsf h GLN 59 Ca -0.46 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 57.99 1xsf h GLN 59 Cb 1.22 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.60 1xsf h GLN 59 CO 0.57 0.50 -0.02 0.78 -2.65 0.00 0.00 178.83 178.00 1xsf h GLY 60 N 0.78 -0.07 1.51 2.39 0.00 -1.92 -0.15 103.07 105.61 1xsf h GLY 60 Ca 0.53 0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.82 1xsf h GLY 60 CO -0.31 -0.03 -0.03 -0.84 0.00 0.00 0.00 176.54 175.33 1xsf h THR 61 N -0.55 1.22 -0.09 4.70 2.02 -1.90 0.58 112.91 118.89 1xsf h THR 61 Ca -0.01 -0.92 -0.00 0.00 0.77 0.00 0.00 66.41 66.25 1xsf h THR 61 Cb 0.49 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1xsf h THR 61 CO 0.01 0.31 0.05 -0.25 0.37 0.00 0.00 175.52 176.02 1xsf h TRP 62 N 0.56 0.12 -0.22 3.16 2.91 -1.19 -2.60 115.95 118.70 1xsf h TRP 62 Ca 0.11 -0.00 -0.09 0.00 1.13 0.00 0.00 58.89 60.04 1xsf h TRP 62 Cb 0.41 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 29.01 1xsf h TRP 62 CO 0.02 0.13 -0.26 1.49 -1.03 0.00 0.00 178.44 178.78 1xsf h GLU 63 N 0.08 0.41 -0.59 2.65 4.81 -0.34 0.28 114.58 121.89 1xsf h GLU 63 Ca 0.03 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 1xsf h GLU 63 Cb 0.04 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1xsf h GLU 63 CO -0.01 0.65 0.23 0.00 -0.73 0.00 0.00 179.01 179.15 1xsf h ALA 64 N 1.36 0.76 0.00 2.92 0.00 0.46 -0.76 119.26 123.99 1xsf h ALA 64 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xsf h ALA 64 Cb 0.66 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1xsf h ALA 64 CO 0.05 0.38 -0.18 0.09 0.00 0.00 0.00 179.25 179.59 1xsf n ASN 65 N -4.47 0.22 -0.32 0.00 3.02 -1.01 -4.94 115.26 107.77 1xsf n ASN 65 Ca 0.03 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 1xsf n ASN 65 Cb 0.17 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 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 1.48 0.54 0.16 7.41 0.00 -0.29 -4.89 105.19 109.61 1xsf n GLY 66 Ca 0.06 -0.22 0.05 0.00 0.00 0.00 0.00 46.02 45.91 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 1.91 -0.02 0.00 -0.64 -3.32 103.07 100.99 1xsf h GLY 67 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1xsf h GLY 67 CO 0.00 0.00 0.03 1.41 0.00 0.00 0.00 176.54 177.98 1xsf h LEU 68 N 0.00 0.00 -1.20 3.11 4.07 -1.78 0.32 115.31 119.83 1xsf h LEU 68 Ca -0.00 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 1xsf h LEU 68 Cb 1.29 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.01 1xsf h LEU 68 CO 0.05 0.00 -0.16 0.08 -1.08 0.00 0.00 178.44 177.33 1xsf h ARG 69 N 0.00 0.35 0.12 1.13 0.11 -1.98 -2.31 114.38 111.80 1xsf h ARG 69 Ca 0.02 -0.10 -0.28 0.00 0.10 0.00 0.00 59.98 59.72 1xsf h ARG 69 Cb 0.09 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.13 1xsf h ARG 69 CO -0.00 0.52 -1.31 1.88 0.10 0.00 0.00 179.97 181.15 1xsf h TYR 70 N 0.33 0.45 0.00 4.08 0.05 -0.73 -3.47 116.97 117.67 1xsf h TYR 70 Ca 0.06 -0.33 0.00 0.00 0.05 0.00 0.00 58.73 58.51 1xsf h TYR 70 Cb 0.49 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.21 1xsf h TYR 70 CO 0.01 1.29 0.00 0.00 -1.05 0.00 0.00 178.16 178.41 1xsf n ALA 71 N -2.56 0.00 0.00 3.88 0.00 0.27 -4.71 120.51 117.39 1xsf n ALA 71 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 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 -3.78 0.00 -0.02 -1.13 -3.48 135.00 126.60 1xsf n PRO 72 Ca 0.00 0.22 -0.13 0.00 -2.02 0.00 0.00 63.50 61.58 1xsf n PRO 72 Cb 0.00 -1.57 -0.12 0.00 -0.02 0.00 0.00 33.50 31.79 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 -2.35 0.28 0.66 -0.52 1.70 -1.26 -4.77 118.95 112.69 1xsf s ARG 73 Ca 0.00 0.38 0.43 0.00 -0.47 0.00 0.00 55.73 56.07 1xsf s ARG 73 Cb 0.00 0.10 2.36 0.00 -0.57 0.00 0.00 34.95 36.84 1xsf s ARG 73 CO 0.00 -0.06 2.36 0.00 -1.08 0.00 0.00 175.30 176.52 1xsf h ALA 74 N 5.98 1.07 0.00 7.88 0.00 -1.87 -0.90 119.26 131.42 1xsf h ALA 74 Ca -0.28 -0.00 -0.04 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 0.35 0.00 -0.18 0.22 0.00 0.00 0.00 179.25 179.64 1xsf h ASP 75 N 0.00 0.00 0.28 0.00 1.82 -1.76 -3.14 116.42 113.62 1xsf h ASP 75 Ca -0.00 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.31 1xsf h ASP 75 Cb 0.01 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 39.97 1xsf h ASP 75 CO 0.00 0.18 -1.96 -0.11 -1.61 0.00 0.00 179.24 175.74 1xsf n LEU 76 N -3.19 1.35 -4.83 2.28 7.94 -0.40 -4.52 117.00 115.63 1xsf n LEU 76 Ca 0.02 0.25 -0.32 0.00 -1.11 0.00 0.00 56.01 54.85 1xsf n LEU 76 Cb 0.53 -0.19 -0.01 0.00 0.53 0.00 0.00 43.42 44.28 1xsf n LEU 76 CO 0.35 0.57 0.70 0.00 -1.11 0.00 0.00 177.39 177.89 1xsf s ALA 77 N -2.56 2.94 0.40 1.96 0.00 -0.84 -5.00 121.76 118.65 1xsf s ALA 77 Ca -0.13 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.10 1xsf s ALA 77 Cb 0.07 -3.16 0.05 0.00 0.00 0.00 0.00 23.12 20.09 1xsf s ALA 77 CO 0.79 -0.48 0.41 0.25 0.00 0.00 0.00 175.76 176.73 1xsf n THR 78 N -1.82 0.00 -0.03 0.00 -2.24 -1.26 -4.73 114.28 104.21 1xsf n THR 78 Ca 0.07 -0.80 -0.10 0.00 -2.27 0.00 0.00 64.05 60.96 1xsf n THR 78 Cb 0.54 -0.96 -0.03 0.00 -2.10 0.00 0.00 70.33 67.77 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 -0.34 -0.81 -0.78 2.47 -1.98 0.28 114.38 113.22 1xsf h ARG 79 Ca -0.14 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.61 1xsf h ARG 79 Cb 0.56 0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.92 1xsf h ARG 79 CO 0.17 -0.23 0.52 1.05 0.56 0.00 0.00 179.97 182.04 1xsf h GLU 80 N -0.36 1.08 0.12 0.04 4.11 -1.95 0.43 114.58 118.05 1xsf h GLU 80 Ca 0.11 -0.08 -0.01 0.00 0.07 0.00 0.00 59.36 59.46 1xsf h GLU 80 Cb 0.53 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1xsf h GLU 80 CO -0.39 0.73 -0.06 0.93 0.07 0.00 0.00 179.01 180.30 1xsf h GLU 81 N 1.11 -0.15 -0.34 1.06 5.08 -1.78 -0.78 114.58 118.77 1xsf h GLU 81 Ca 0.29 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.62 1xsf h GLU 81 Cb -0.09 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1xsf h GLU 81 CO -0.06 0.33 0.01 0.37 -1.00 0.00 0.00 179.01 178.66 1xsf h GLN 82 N -0.77 0.53 -0.36 2.33 4.15 -0.22 -1.75 115.11 119.01 1xsf h GLN 82 Ca -0.02 -0.11 -0.16 0.00 0.77 0.00 0.00 58.65 59.13 1xsf h GLN 82 Cb 0.55 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 1xsf h GLN 82 CO 0.03 0.55 -0.42 0.82 -1.93 0.00 0.00 178.83 177.88 1xsf h ILE 83 N 0.51 1.27 -0.66 2.39 5.03 -0.20 -2.36 117.51 123.49 1xsf h ILE 83 Ca 0.11 -1.59 0.03 0.00 -0.12 0.00 0.00 64.86 63.29 1xsf h ILE 83 Cb 0.31 1.44 -0.04 0.00 -3.03 0.00 0.00 36.82 35.50 1xsf h ILE 83 CO 0.01 0.53 0.44 0.00 -0.68 0.00 0.00 178.15 178.45 1xsf h ALA 84 N 0.79 1.62 -0.17 1.87 0.00 -0.23 0.98 119.26 124.12 1xsf h ALA 84 Ca 0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1xsf h ALA 84 Cb 1.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1xsf h ALA 84 CO 0.10 0.32 -0.03 0.28 0.00 0.00 0.00 179.25 179.91 1xsf h VAL 85 N 0.81 1.28 -0.17 0.00 2.07 -1.40 -2.64 116.25 116.19 1xsf h VAL 85 Ca 0.26 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 1xsf h VAL 85 Cb 0.05 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1xsf h VAL 85 CO -0.07 0.29 0.03 0.00 0.02 0.00 0.00 177.57 177.84 1xsf h ALA 86 N 0.73 1.73 -0.56 1.67 0.00 -0.62 -2.82 119.26 119.39 1xsf h ALA 86 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xsf h ALA 86 Cb 0.46 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1xsf h ALA 86 CO 0.02 0.21 0.35 0.93 0.00 0.00 0.00 179.25 180.76 1xsf h GLU 87 N 0.24 0.75 0.16 0.00 4.39 0.13 0.72 114.58 120.97 1xsf h GLU 87 Ca 0.06 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1xsf h GLU 87 Cb 0.13 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1xsf h GLU 87 CO -0.00 0.52 -0.08 0.28 -1.16 0.00 0.00 179.01 178.58 1xsf h VAL 88 N 0.75 0.91 -0.06 3.13 2.07 -1.25 -2.60 116.25 119.21 1xsf h VAL 88 Ca 0.20 -0.27 -0.19 0.00 0.82 0.00 0.00 66.70 67.26 1xsf h VAL 88 Cb -0.04 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1xsf h VAL 88 CO -0.04 0.06 -0.78 0.00 0.02 0.00 0.00 177.57 176.83 1xsf h THR 89 N -0.34 1.39 -0.59 2.57 1.03 -1.47 -3.19 112.91 112.31 1xsf h THR 89 Ca -0.02 -2.23 -0.03 0.00 -0.01 0.00 0.00 66.41 64.12 1xsf h THR 89 Cb 0.27 2.19 -0.03 0.00 -1.07 0.00 0.00 68.15 69.51 1xsf h THR 89 CO 0.04 0.67 0.26 0.08 -0.01 0.00 0.00 175.52 176.55 1xsf h ARG 90 N 0.26 0.85 0.00 0.00 0.11 0.51 -2.60 114.38 113.50 1xsf h ARG 90 Ca -0.04 -0.12 -0.05 0.00 0.10 0.00 0.00 59.98 59.87 1xsf h ARG 90 Cb 1.37 -0.16 -0.01 0.00 1.11 0.00 0.00 29.97 32.29 1xsf h ARG 90 CO 0.13 0.68 -0.24 1.37 0.10 0.00 0.00 179.97 182.01 1xsf h LEU 91 N 0.84 0.00 0.16 0.08 8.10 -1.44 0.57 115.31 123.62 1xsf h LEU 91 Ca 0.20 0.00 -0.25 0.00 0.11 0.00 0.00 57.88 57.94 1xsf h LEU 91 Cb 0.13 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 40.37 1xsf h LEU 91 CO -0.02 0.24 -1.18 0.03 -4.11 0.00 0.00 178.44 173.40 1xsf h ARG 92 N 0.00 0.34 0.00 0.17 3.08 -1.53 -3.40 114.38 113.04 1xsf h ARG 92 Ca -0.00 -0.58 -0.27 0.00 0.07 0.00 0.00 59.98 59.19 1xsf h ARG 92 Cb 0.84 0.22 -0.05 0.00 0.08 0.00 0.00 29.97 31.06 1xsf h ARG 92 CO 0.03 1.28 -2.29 0.00 -1.07 0.00 0.00 179.97 177.93 1xsf n GLN 93 N -3.95 0.68 -1.68 0.04 10.64 -1.02 -4.69 117.38 117.41 1xsf n GLN 93 Ca -0.18 -0.06 0.00 0.00 -1.83 0.00 0.00 57.00 54.93 1xsf n GLN 93 Cb 0.92 -1.52 0.00 0.00 -0.86 0.00 0.00 30.24 28.78 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 1.62 0.57 2.59 2.61 0.00 0.20 -3.68 105.19 109.10 1xsf n GLY 94 Ca -0.25 -0.42 -0.13 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 -1.06 0.00 -0.07 1.61 7.02 -1.20 -4.85 117.44 118.89 1xsf n TRP 95 Ca 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.42 1xsf n TRP 95 Cb 0.40 -2.66 0.14 0.00 -2.42 0.00 0.00 31.31 26.76 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 0.77 2.00 6.99 0.00 -1.88 -2.29 103.07 108.65 1xsf h GLY 96 Ca -0.27 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.43 1xsf h GLY 96 CO 0.39 0.55 -0.17 0.00 0.00 0.00 0.00 176.54 177.30 1xsf h ALA 97 N 1.19 1.06 -2.38 3.60 0.00 -1.88 -3.39 119.26 117.46 1xsf h ALA 97 Ca 0.10 -0.16 -0.72 0.00 0.00 0.00 0.00 54.91 54.14 1xsf h ALA 97 Cb 0.62 -0.03 -0.21 0.00 0.00 0.00 0.00 17.79 18.18 1xsf h ALA 97 CO 0.04 0.21 -0.32 -1.58 0.00 0.00 0.00 179.25 177.61 1xsf s TRP 98 N -3.76 3.21 0.00 0.00 0.51 -0.86 -5.06 118.94 112.99 1xsf s TRP 98 Ca -0.00 -0.65 0.00 0.00 -2.12 0.00 0.00 56.10 53.33 1xsf s TRP 98 Cb 0.11 -2.91 0.00 0.00 -0.81 0.00 0.00 33.47 29.86 1xsf s TRP 98 CO 0.61 -0.71 0.00 -2.30 -0.51 0.00 0.00 176.95 174.04 1xsf n PRO 99 N 5.33 1.94 0.19 4.98 -0.02 -1.26 -3.96 135.00 142.20 1xsf n PRO 99 Ca -0.10 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.56 1xsf n PRO 99 Cb 0.46 0.00 0.82 0.00 -0.02 0.00 0.00 33.50 34.75 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 0.36 -0.40 -1.45 2.07 -1.97 -0.21 116.25 114.65 1xsf h VAL 100 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1xsf h VAL 100 Cb 0.00 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1xsf h VAL 100 CO 0.00 0.00 0.10 0.00 0.02 0.00 0.00 177.57 177.69 1xsf h ALA 102 N 1.54 0.47 -0.34 0.00 0.00 -1.15 -1.45 119.26 118.34 1xsf h ALA 102 Ca 0.13 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1xsf h ALA 102 Cb 0.21 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1xsf h ALA 102 CO -0.00 0.58 -0.05 0.00 0.00 0.00 0.00 179.25 179.78 1xsf h ALA 103 N 0.71 1.29 0.00 0.00 0.00 -1.46 -0.93 119.26 118.87 1xsf h ALA 103 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1xsf h ALA 103 Cb 0.99 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1xsf h ALA 103 CO 0.09 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.82 1xsf h ARG 104 N 0.51 0.00 0.00 0.00 3.08 -0.81 -3.27 114.38 113.90 1xsf h ARG 104 Ca 0.10 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 1xsf h ARG 104 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1xsf h ARG 104 CO 0.02 0.00 -1.66 0.00 -1.07 0.00 0.00 179.97 177.26 1xsf n ALA 105 N -2.04 2.49 -0.00 0.04 0.00 -0.47 -4.99 120.51 115.54 1xsf n ALA 105 Ca 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1xsf n ALA 105 Cb 0.37 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1xsf n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xsf n GLY 106 N 1.30 0.84 3.74 0.00 0.00 -0.54 -4.33 105.19 106.20 1xsf n GLY 106 Ca -0.06 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.00 2.39 0.00 4.61 0.00 -1.06 -4.90 121.76 120.80 1xsf s ALA 107 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1xsf s ALA 107 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1xsf s ALA 107 CO 0.00 -1.43 0.00 0.54 0.00 0.00 0.00 175.76 174.87