#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 1.99 -1.65 3.53 3.14 -1.26 -4.99 118.33 119.10 1xsf n VAL 2 Ca 0.00 -1.31 -0.43 0.00 -2.96 0.00 0.00 64.34 59.64 1xsf n VAL 2 Cb 0.00 0.04 -0.03 0.00 -1.06 0.00 0.00 33.84 32.79 1xsf n VAL 2 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1xsf s VAL 3 N -2.06 3.04 0.07 1.55 1.01 -1.26 -4.98 120.40 117.76 1xsf s VAL 3 Ca 0.49 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.52 1xsf s VAL 3 Cb 0.33 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1xsf s VAL 3 CO 0.21 -0.02 0.16 -0.69 0.00 0.00 0.00 175.10 174.76 1xsf s VAL 4 N 6.74 5.04 -0.39 2.92 1.01 -1.26 -5.07 120.40 129.39 1xsf s VAL 4 Ca 0.95 -0.55 -0.28 0.00 0.00 0.00 0.00 61.98 62.10 1xsf s VAL 4 Cb -0.36 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.59 1xsf s VAL 4 CO 0.37 0.13 1.05 0.42 0.00 0.00 0.00 175.10 177.07 1xsf s THR 5 N -1.47 4.43 -0.33 3.92 -4.23 -1.26 -4.96 115.64 111.75 1xsf s THR 5 Ca 0.33 1.39 -0.27 0.00 -1.18 0.00 0.00 61.69 61.96 1xsf s THR 5 Cb -0.13 -4.46 -0.05 0.00 1.34 0.00 0.00 72.50 69.21 1xsf s THR 5 CO 0.26 -0.68 2.23 -2.84 -0.54 0.00 0.00 174.62 173.05 1xsf s PRO 6 N 3.87 2.79 -0.39 3.99 0.02 -1.26 -4.82 135.00 139.20 1xsf s PRO 6 Ca 0.44 1.72 0.05 0.00 0.02 0.00 0.00 61.00 63.23 1xsf s PRO 6 Cb -0.10 -4.43 0.48 0.00 0.02 0.00 0.00 34.50 30.46 1xsf s PRO 6 CO 0.22 -2.50 1.50 0.00 -0.33 0.00 0.00 177.00 175.89 1xsf n ALA 7 N 13.00 5.12 0.58 -1.55 0.00 -1.26 -4.39 120.51 132.01 1xsf n ALA 7 Ca 0.31 -3.49 0.10 0.00 0.00 0.00 0.00 53.44 50.36 1xsf n ALA 7 Cb 0.49 -0.83 0.41 0.00 0.00 0.00 0.00 19.45 19.52 1xsf n ALA 7 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xsf n HIS 8 N -0.91 0.25 -4.82 0.00 8.25 -1.26 -4.65 115.22 112.08 1xsf n HIS 8 Ca 0.45 0.09 -0.33 0.00 -0.26 0.00 0.00 57.72 57.67 1xsf n HIS 8 Cb 0.93 -0.64 -0.14 0.00 1.12 0.00 0.00 29.99 31.25 1xsf n HIS 8 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1xsf s GLU 9 N -3.08 3.05 -0.44 -0.41 -1.05 -1.26 -5.04 118.70 110.47 1xsf s GLU 9 Ca 0.08 -0.69 0.07 0.00 -0.15 0.00 0.00 54.97 54.28 1xsf s GLU 9 Cb 0.11 -2.54 0.25 0.00 -0.44 0.00 0.00 34.13 31.52 1xsf s GLU 9 CO 0.36 0.37 0.73 0.00 0.95 0.00 0.00 175.26 177.68 1xsf n ALA 10 N 3.06 0.45 0.04 -0.84 0.00 -1.26 -4.93 120.51 117.03 1xsf n ALA 10 Ca -0.18 -2.37 -0.04 0.00 0.00 0.00 0.00 53.44 50.85 1xsf n ALA 10 Cb 0.53 -1.08 -0.10 0.00 0.00 0.00 0.00 19.45 18.80 1xsf n ALA 10 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1xsf h VAL 11 N 2.47 1.03 -4.63 0.00 3.04 -2.00 -3.49 116.25 112.67 1xsf h VAL 11 Ca -0.04 -2.68 -0.23 0.00 -1.01 0.00 0.00 66.70 62.74 1xsf h VAL 11 Cb 0.97 2.46 0.01 0.00 -2.01 0.00 0.00 31.29 32.72 1xsf h VAL 11 CO 0.38 0.59 -0.70 0.55 -1.01 0.00 0.00 177.57 177.39 1xsf n VAL 12 N -3.13 -2.16 -1.72 1.51 3.14 -1.26 -4.33 118.33 110.38 1xsf n VAL 12 Ca -0.07 0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 1xsf n VAL 12 Cb 0.92 -1.98 0.00 0.00 -1.06 0.00 0.00 33.84 31.73 1xsf n VAL 12 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 1xsf n ARG 13 N -0.14 -2.20 -1.88 1.45 1.85 -1.26 -4.91 116.66 109.56 1xsf n ARG 13 Ca -0.05 1.57 -0.35 0.00 -1.00 0.00 0.00 57.85 58.02 1xsf n ARG 13 Cb 0.39 -2.01 0.04 0.00 -1.05 0.00 0.00 32.46 29.83 1xsf n ARG 13 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1xsf s VAL 14 N -0.73 2.82 -0.53 8.89 1.01 -1.26 -4.97 120.40 125.63 1xsf s VAL 14 Ca 0.00 0.46 0.07 0.00 0.00 0.00 0.00 61.98 62.51 1xsf s VAL 14 Cb 0.00 -3.08 0.28 0.00 0.00 0.00 0.00 36.38 33.58 1xsf s VAL 14 CO 0.00 -0.17 0.73 0.61 0.00 0.00 0.00 175.10 176.28 1xsf n GLY 15 N 0.16 4.35 0.09 4.51 0.00 -1.26 -4.76 105.19 108.28 1xsf n GLY 15 Ca 0.12 -2.35 -0.11 0.00 0.00 0.00 0.00 46.02 43.68 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 2.57 1.27 -2.50 2.61 2.02 -2.04 -3.45 112.91 113.39 1xsf h THR 16 Ca 0.14 -2.99 -0.57 0.00 0.77 0.00 0.00 66.41 63.76 1xsf h THR 16 Cb 0.72 2.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.82 1xsf h THR 16 CO 0.70 0.79 1.27 -0.54 0.37 0.00 0.00 175.52 178.11 1xsf s LYS 17 N -2.64 3.57 0.84 6.66 -0.14 -1.26 -4.98 119.74 121.79 1xsf s LYS 17 Ca -0.04 1.82 -0.11 0.00 -1.36 0.00 0.00 55.97 56.28 1xsf s LYS 17 Cb 0.08 -4.17 0.10 0.00 -1.68 0.00 0.00 37.83 32.16 1xsf s LYS 17 CO 0.83 -1.58 1.10 -2.14 -0.76 0.00 0.00 175.35 172.80 1xsf s PRO 18 N 5.29 1.69 0.00 -1.68 0.02 -1.26 -3.79 135.00 135.27 1xsf s PRO 18 Ca 0.83 1.14 0.00 0.00 0.02 0.00 0.00 61.00 62.99 1xsf s PRO 18 Cb -0.29 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.40 1xsf s PRO 18 CO 0.33 -2.03 0.00 0.41 -0.33 0.00 0.00 177.00 175.38 1xsf n GLY 19 N -0.87 2.76 0.34 0.52 0.00 -1.26 -4.88 105.19 101.79 1xsf n GLY 19 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 1.09 -2.24 2.61 2.02 -1.98 -3.40 112.91 111.01 1xsf h THR 20 Ca 0.00 -0.25 -0.56 0.00 0.77 0.00 0.00 66.41 66.37 1xsf h THR 20 Cb 0.00 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 1xsf h THR 20 CO 0.00 0.13 1.40 -1.61 0.37 0.00 0.00 175.52 175.82 1xsf s GLU 21 N -5.64 3.05 -0.37 6.66 8.01 -1.26 -4.93 118.70 124.22 1xsf s GLU 21 Ca -0.09 1.57 -0.28 0.00 0.01 0.00 0.00 54.97 56.17 1xsf s GLU 21 Cb 0.18 -4.32 0.02 0.00 -4.31 0.00 0.00 34.13 25.70 1xsf s GLU 21 CO 0.76 -2.19 1.02 0.08 0.01 0.00 0.00 175.26 174.94 1xsf s VAL 22 N 8.21 4.48 0.77 2.63 1.01 -1.26 -5.04 120.40 131.21 1xsf s VAL 22 Ca 0.88 1.41 -0.14 0.00 0.00 0.00 0.00 61.98 64.12 1xsf s VAL 22 Cb -0.25 -4.42 0.06 0.00 0.00 0.00 0.00 36.38 31.78 1xsf s VAL 22 CO 0.32 -0.61 1.22 -2.84 0.00 0.00 0.00 175.10 173.19 1xsf s PRO 23 N 3.73 1.85 0.31 2.72 0.02 -1.26 -4.93 135.00 137.44 1xsf s PRO 23 Ca 0.43 1.80 -0.28 0.00 0.02 0.00 0.00 61.00 62.97 1xsf s PRO 23 Cb -0.11 -1.79 -0.13 0.00 0.02 0.00 0.00 34.50 32.48 1xsf s PRO 23 CO 0.20 -2.07 1.12 -0.35 -0.33 0.00 0.00 177.00 175.57 1xsf n PRO 24 N -3.01 1.65 -2.64 5.54 -0.04 -1.26 -4.82 135.00 130.41 1xsf n PRO 24 Ca 0.14 0.58 -0.42 0.00 -0.04 0.00 0.00 63.50 63.75 1xsf n PRO 24 Cb 0.50 -2.04 -0.03 0.00 -0.04 0.00 0.00 33.50 31.90 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 -1.08 4.68 0.37 0.52 1.01 -1.26 -4.92 120.40 119.71 1xsf s VAL 25 Ca 0.57 1.96 0.13 0.00 0.00 0.00 0.00 61.98 64.64 1xsf s VAL 25 Cb -0.64 -4.26 0.09 0.00 0.00 0.00 0.00 36.38 31.56 1xsf s VAL 25 CO 0.61 -0.01 1.82 0.40 0.00 0.00 0.00 175.10 177.91 1xsf h ILE 26 N 5.11 1.28 -0.04 2.22 1.08 -2.00 -1.69 117.51 123.47 1xsf h ILE 26 Ca -0.31 -1.31 0.00 0.00 -0.39 0.00 0.00 64.86 62.85 1xsf h ILE 26 Cb 1.14 1.71 0.00 0.00 -3.07 0.00 0.00 36.82 36.60 1xsf h ILE 26 CO 0.87 0.37 0.00 0.47 -0.69 0.00 0.00 178.15 179.17 1xsf n ASP 27 N -4.08 0.58 0.00 1.72 8.00 -1.26 -2.65 116.55 118.86 1xsf n ASP 27 Ca -0.02 -1.38 0.06 0.00 0.71 0.00 0.00 54.79 54.16 1xsf n ASP 27 Cb 0.42 -0.02 0.34 0.00 -0.02 0.00 0.00 41.12 41.84 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 0.98 -0.44 0.21 0.44 0.00 -0.64 -1.07 105.19 104.67 1xsf n GLY 28 Ca 0.18 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 0.79 -0.17 1.61 0.02 -1.73 0.43 113.55 114.51 1xsf h SER 29 Ca 0.00 -0.53 -0.19 0.00 -0.84 0.00 0.00 61.79 60.23 1xsf h SER 29 Cb 0.02 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.33 1xsf h SER 29 CO 0.00 1.32 -0.59 0.40 -1.14 0.00 0.00 176.83 176.81 1xsf h ILE 30 N 0.44 1.29 -0.28 3.27 1.08 -1.29 -1.71 117.51 120.30 1xsf h ILE 30 Ca -0.05 -1.80 -0.13 0.00 -0.39 0.00 0.00 64.86 62.48 1xsf h ILE 30 Cb 1.40 1.73 -0.01 0.00 -3.07 0.00 0.00 36.82 36.88 1xsf h ILE 30 CO 0.15 0.58 -0.37 -0.50 -0.69 0.00 0.00 178.15 177.32 1xsf h TRP 31 N 0.58 0.77 -0.01 1.37 -0.00 -1.39 0.17 115.95 117.43 1xsf h TRP 31 Ca 0.00 -0.21 -0.20 0.00 -0.00 0.00 0.00 58.89 58.48 1xsf h TRP 31 Cb 1.19 -0.17 -0.01 0.00 -0.00 0.00 0.00 29.16 30.17 1xsf h TRP 31 CO 0.07 0.92 -0.85 0.22 -0.00 0.00 0.00 178.44 178.80 1xsf h ASP 32 N 0.54 0.37 0.06 -3.49 3.58 -0.12 0.17 116.42 117.53 1xsf h ASP 32 Ca 0.05 -0.28 -0.14 0.00 0.42 0.00 0.00 57.03 57.08 1xsf h ASP 32 Cb 0.88 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.81 1xsf h ASP 32 CO 0.08 1.06 -0.49 0.00 -2.88 0.00 0.00 179.24 177.01 1xsf h ALA 33 N 0.92 0.82 -0.53 -0.78 0.00 -1.02 0.75 119.26 119.42 1xsf h ALA 33 Ca -0.05 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 1xsf h ALA 33 Cb 1.47 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1xsf h ALA 33 CO 0.14 0.67 0.13 0.82 0.00 0.00 0.00 179.25 181.00 1xsf h ILE 34 N 0.39 1.24 -0.86 0.00 2.04 -0.50 -1.48 117.51 118.34 1xsf h ILE 34 Ca 0.02 -0.87 0.07 0.00 1.00 0.00 0.00 64.86 65.08 1xsf h ILE 34 Cb 0.99 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.81 1xsf h ILE 34 CO 0.09 0.32 0.56 0.00 0.00 0.00 0.00 178.15 179.12 1xsf h ALA 35 N 1.01 1.57 0.00 1.87 0.00 -0.35 0.15 119.26 123.51 1xsf h ALA 35 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xsf h ALA 35 Cb 0.34 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xsf h ALA 35 CO 0.00 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.95 1xsf n GLY 36 N -1.41 -1.36 0.08 0.00 0.00 0.23 0.27 105.19 103.00 1xsf n GLY 36 Ca 0.13 0.02 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.99 0.14 0.00 0.00 4.57 -1.01 -3.33 114.58 113.97 1xsf h GLU 38 Ca 0.00 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 1xsf h GLU 38 Cb 0.70 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 1xsf h GLU 38 CO 0.00 0.89 -1.04 0.00 -1.18 0.00 0.00 179.01 177.68 1xsf n ALA 39 N -2.69 3.08 -0.82 2.92 0.00 -0.62 -4.92 120.51 117.45 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 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 1.31 0.74 0.71 0.00 0.00 -0.44 -3.98 105.19 103.53 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 -2.44 0.88 3.30 -0.02 0.00 0.14 -4.80 105.19 102.26 1xsf n GLY 41 Ca 0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.45 -0.46 0.00 1.61 2.47 -1.26 -4.94 114.94 109.92 1xsf s ASN 42 Ca 0.00 0.98 0.22 0.00 0.42 0.00 0.00 52.86 54.48 1xsf s ASN 42 Cb 0.00 1.04 -0.15 0.00 -1.45 0.00 0.00 41.25 40.69 1xsf s ASN 42 CO 0.00 -0.21 0.88 0.79 -3.72 0.00 0.00 177.10 174.84 1xsf n TRP 43 N 4.68 0.05 0.24 0.43 7.02 -1.26 0.04 117.44 128.64 1xsf n TRP 43 Ca -0.18 0.02 0.10 0.00 -1.02 0.00 0.00 57.50 56.42 1xsf n TRP 43 Cb 0.53 -0.20 0.19 0.00 -2.42 0.00 0.00 31.31 29.41 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 -1.72 2.39 -1.77 6.99 0.00 -1.26 -3.28 120.51 121.87 1xsf n ALA 44 Ca 0.02 -0.98 -0.39 0.00 0.00 0.00 0.00 53.44 52.09 1xsf n ALA 44 Cb 0.40 -0.75 -0.04 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.34 3.45 -0.30 0.00 2.07 -1.25 -4.81 121.20 119.02 1xsf s ILE 45 Ca 0.34 1.33 0.04 0.00 -1.41 0.00 0.00 60.65 60.94 1xsf s ILE 45 Cb 0.20 -3.80 0.17 0.00 0.13 0.00 0.00 42.46 39.16 1xsf s ILE 45 CO 0.27 0.22 0.47 0.21 -1.91 0.00 0.00 174.94 174.20 1xsf s ASN 46 N -1.07 -0.26 0.29 4.50 3.84 -1.26 -0.40 114.94 120.58 1xsf s ASN 46 Ca 0.50 -0.29 0.26 0.00 0.21 0.00 0.00 52.86 53.54 1xsf s ASN 46 Cb -0.30 1.39 0.91 0.00 -0.55 0.00 0.00 41.25 42.70 1xsf s ASN 46 CO 0.38 -0.33 1.76 0.71 -2.79 0.00 0.00 177.10 176.83 1xsf h THR 47 N 6.02 0.00 0.00 -5.21 1.35 -1.96 -3.46 112.91 109.65 1xsf h THR 47 Ca -0.05 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1xsf h THR 47 Cb 1.14 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1xsf h THR 47 CO 0.22 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 1xsf n GLY 48 N 0.58 0.84 0.84 5.82 0.00 -1.26 -4.97 105.19 107.04 1xsf n GLY 48 Ca 0.03 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.50 2.55 0.00 1.61 6.94 -1.26 -4.90 115.26 120.70 1xsf n ASN 49 Ca 0.00 -1.84 0.00 0.00 -0.02 0.00 0.00 54.58 52.72 1xsf n ASN 49 Cb 0.00 -0.10 0.00 0.00 -2.36 0.00 0.00 39.78 37.32 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 1.32 1.04 3.59 4.83 0.00 -1.26 -5.03 105.19 109.68 1xsf n GLY 50 Ca 0.17 0.00 -0.34 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 -2.27 3.14 0.41 1.61 2.02 -1.26 -0.85 117.35 120.15 1xsf s TYR 51 Ca 0.00 -0.04 0.08 0.00 -0.37 0.00 0.00 57.07 56.73 1xsf s TYR 51 Cb 0.00 -1.95 -0.01 0.00 -0.40 0.00 0.00 41.96 39.60 1xsf s TYR 51 CO 0.00 0.16 0.47 0.71 -1.57 0.00 0.00 175.55 175.33 1xsf s TYR 52 N 0.03 2.79 1.30 2.71 2.02 -0.15 -4.53 117.35 121.52 1xsf s TYR 52 Ca 0.03 -0.42 -0.17 0.00 -0.37 0.00 0.00 57.07 56.13 1xsf s TYR 52 Cb -0.13 -2.24 0.33 0.00 -0.40 0.00 0.00 41.96 39.52 1xsf s TYR 52 CO 0.02 -0.24 0.92 0.41 -1.57 0.00 0.00 175.55 175.08 1xsf n GLY 53 N -1.69 -2.81 6.22 0.71 0.00 0.47 -2.05 105.19 106.03 1xsf n GLY 53 Ca 0.05 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 1.42 1.99 0.13 -0.02 0.00 0.11 -3.37 105.19 105.45 1xsf n GLY 54 Ca 0.06 -0.17 0.14 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.61 1.61 0.31 -1.26 -3.76 118.33 111.62 1xsf n VAL 55 Ca 0.00 -0.07 -0.20 0.00 -0.01 0.00 0.00 64.34 64.06 1xsf n VAL 55 Cb 0.00 -0.11 0.05 0.00 -0.91 0.00 0.00 33.84 32.87 1xsf n VAL 55 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1xsf n GLN 56 N -0.84 -5.31 -4.46 5.55 -0.06 -0.87 -4.88 117.38 106.51 1xsf n GLN 56 Ca 0.17 0.69 -0.22 0.00 -2.00 0.00 0.00 57.00 55.63 1xsf n GLN 56 Cb 0.26 -5.38 -0.10 0.00 -4.06 0.00 0.00 30.24 20.95 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 -3.57 2.06 0.50 3.69 -0.71 -1.17 -4.68 117.98 114.09 1xsf s PHE 57 Ca 0.02 -0.68 -0.19 0.00 -1.04 0.00 0.00 56.93 55.04 1xsf s PHE 57 Cb -0.00 -1.20 -0.08 0.00 -1.21 0.00 0.00 43.02 40.53 1xsf s PHE 57 CO 0.79 0.32 1.01 0.34 -1.34 0.00 0.00 175.22 176.34 1xsf s ASP 58 N -3.49 6.42 0.29 1.98 2.15 -1.26 -0.98 116.67 121.78 1xsf s ASP 58 Ca 0.31 1.77 0.03 0.00 0.43 0.00 0.00 52.55 55.08 1xsf s ASP 58 Cb 0.04 -2.54 0.66 0.00 -0.30 0.00 0.00 42.92 40.79 1xsf s ASP 58 CO 0.13 -0.72 1.75 -0.61 -0.17 0.00 0.00 175.17 175.55 1xsf h GLN 59 N 1.25 0.61 -0.05 4.34 5.75 -1.38 0.20 115.11 125.84 1xsf h GLN 59 Ca -0.48 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 57.97 1xsf h GLN 59 Cb 1.20 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 29.61 1xsf h GLN 59 CO 0.60 0.40 -0.01 0.78 -2.65 0.00 0.00 178.83 177.95 1xsf h GLY 60 N 0.63 0.10 1.03 2.39 0.00 -1.93 0.37 103.07 105.67 1xsf h GLY 60 Ca 0.53 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.71 1xsf h GLY 60 CO -0.41 0.08 0.13 -0.84 0.00 0.00 0.00 176.54 175.49 1xsf h THR 61 N -0.26 1.26 -0.34 4.70 2.02 -1.86 0.32 112.91 118.74 1xsf h THR 61 Ca 0.01 -0.96 0.04 0.00 0.77 0.00 0.00 66.41 66.27 1xsf h THR 61 Cb 0.41 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 1xsf h THR 61 CO 0.01 0.36 0.11 -0.25 0.37 0.00 0.00 175.52 176.12 1xsf h TRP 62 N 0.92 0.20 -0.46 3.16 2.91 -0.51 -0.14 115.95 122.04 1xsf h TRP 62 Ca 0.19 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 60.15 1xsf h TRP 62 Cb 0.39 -0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 28.98 1xsf h TRP 62 CO 0.03 0.08 -0.02 1.49 -1.03 0.00 0.00 178.44 179.00 1xsf h GLU 63 N 0.26 0.76 -0.29 2.65 4.81 0.14 0.31 114.58 123.22 1xsf h GLU 63 Ca 0.15 -0.21 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 1xsf h GLU 63 Cb 0.13 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1xsf h GLU 63 CO -0.16 0.78 -0.25 0.00 -0.73 0.00 0.00 179.01 178.65 1xsf h ALA 64 N 1.27 1.02 0.00 2.92 0.00 0.33 -0.56 119.26 124.24 1xsf h ALA 64 Ca 0.14 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1xsf h ALA 64 Cb 0.46 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xsf h ALA 64 CO 0.02 0.59 0.00 0.09 0.00 0.00 0.00 179.25 179.95 1xsf n ASN 65 N -4.11 0.48 -0.43 0.00 5.03 -0.13 -4.92 115.26 111.18 1xsf n ASN 65 Ca -0.00 0.55 0.00 0.00 0.87 0.00 0.00 54.58 56.00 1xsf n ASN 65 Cb 0.42 -0.68 0.00 0.00 -1.02 0.00 0.00 39.78 38.50 1xsf n ASN 65 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xsf n GLY 66 N 1.18 0.77 0.20 7.41 0.00 -0.22 -4.93 105.19 109.59 1xsf n GLY 66 Ca 0.06 -0.36 0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.59 -3.27 103.07 101.19 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 -0.00 1.41 0.00 0.00 0.00 176.54 177.95 1xsf h LEU 68 N 0.00 0.00 -0.77 3.11 4.07 -1.78 0.44 115.31 120.39 1xsf h LEU 68 Ca -0.00 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.83 1xsf h LEU 68 Cb 1.08 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.81 1xsf h LEU 68 CO 0.02 0.00 -0.51 0.08 -1.08 0.00 0.00 178.44 176.96 1xsf h ARG 69 N 0.00 0.27 0.12 1.13 0.11 -1.97 -2.89 114.38 111.14 1xsf h ARG 69 Ca -0.00 -0.15 -0.27 0.00 0.10 0.00 0.00 59.98 59.65 1xsf h ARG 69 Cb 0.04 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.13 1xsf h ARG 69 CO 0.00 0.72 -1.26 1.88 0.10 0.00 0.00 179.97 181.41 1xsf h TYR 70 N 0.21 0.45 0.00 4.08 0.05 -0.50 -3.47 116.97 117.78 1xsf h TYR 70 Ca 0.01 -0.33 0.00 0.00 0.05 0.00 0.00 58.73 58.46 1xsf h TYR 70 Cb 0.98 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.70 1xsf h TYR 70 CO 0.02 1.27 0.00 0.00 -1.05 0.00 0.00 178.16 178.40 1xsf n ALA 71 N -2.53 0.00 0.00 3.88 0.00 0.53 -4.59 120.51 117.80 1xsf n ALA 71 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1xsf n ALA 71 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.47 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 -3.77 0.00 -0.02 -1.17 -3.38 135.00 126.65 1xsf n PRO 72 Ca 0.00 0.20 -0.13 0.00 -2.02 0.00 0.00 63.50 61.56 1xsf n PRO 72 Cb 0.00 -1.53 -0.11 0.00 -0.02 0.00 0.00 33.50 31.84 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 -2.33 0.37 0.48 -0.52 1.70 -1.26 -4.76 118.95 112.62 1xsf s ARG 73 Ca 0.00 0.33 0.14 0.00 -0.47 0.00 0.00 55.73 55.73 1xsf s ARG 73 Cb 0.00 0.18 1.12 0.00 -0.57 0.00 0.00 34.95 35.68 1xsf s ARG 73 CO 0.00 -0.05 2.09 0.00 -1.08 0.00 0.00 175.30 176.25 1xsf h ALA 74 N 5.50 1.95 -0.19 7.88 0.00 -1.89 -1.63 119.26 130.89 1xsf h ALA 74 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1xsf h ALA 74 Cb 1.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1xsf h ALA 74 CO 0.33 0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.19 1xsf n ASP 75 N -4.50 1.03 -0.04 0.00 5.75 -1.26 -2.72 116.55 114.81 1xsf n ASP 75 Ca 0.01 -1.98 -0.05 0.00 -0.01 0.00 0.00 54.79 52.77 1xsf n ASP 75 Cb 0.16 -0.13 -0.06 0.00 -1.03 0.00 0.00 41.12 40.06 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 0.05 0.90 -4.88 -2.12 7.94 -0.64 -4.73 117.00 113.52 1xsf n LEU 76 Ca 0.07 -0.02 -0.30 0.00 -1.11 0.00 0.00 56.01 54.65 1xsf n LEU 76 Cb 0.17 0.03 0.05 0.00 0.53 0.00 0.00 43.42 44.20 1xsf n LEU 76 CO 0.05 0.34 0.75 0.00 -1.11 0.00 0.00 177.39 177.42 1xsf s ALA 77 N -2.20 2.84 0.42 1.96 0.00 -1.05 -4.98 121.76 118.75 1xsf s ALA 77 Ca -0.07 -0.34 0.07 0.00 0.00 0.00 0.00 51.96 51.62 1xsf s ALA 77 Cb 0.03 -3.03 0.07 0.00 0.00 0.00 0.00 23.12 20.19 1xsf s ALA 77 CO 0.30 -1.20 0.57 0.25 0.00 0.00 0.00 175.76 175.67 1xsf n THR 78 N -3.05 0.00 -0.12 0.00 -2.24 -1.26 -4.82 114.28 102.78 1xsf n THR 78 Ca 0.07 -1.41 -0.06 0.00 -2.27 0.00 0.00 64.05 60.38 1xsf n THR 78 Cb 0.57 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 -0.80 -0.78 3.08 -1.97 0.36 114.38 114.11 1xsf h ARG 79 Ca -0.20 0.01 0.04 0.00 0.07 0.00 0.00 59.98 59.90 1xsf h ARG 79 Cb 0.90 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.94 1xsf h ARG 79 CO 0.29 -0.11 0.51 1.05 -1.07 0.00 0.00 179.97 180.63 1xsf h GLU 80 N -0.17 0.95 0.23 0.04 4.11 -1.94 0.45 114.58 118.24 1xsf h GLU 80 Ca 0.19 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.56 1xsf h GLU 80 Cb 0.47 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1xsf h GLU 80 CO -0.51 0.63 -0.11 0.93 0.07 0.00 0.00 179.01 180.02 1xsf h GLU 81 N 0.98 -0.30 -0.82 1.06 3.07 -1.70 -0.71 114.58 116.16 1xsf h GLU 81 Ca 0.33 0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.22 1xsf h GLU 81 Cb 0.04 0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 27.97 1xsf h GLU 81 CO -0.12 -0.07 0.55 1.96 -1.40 0.00 0.00 179.01 179.92 1xsf h GLN 82 N -0.48 1.06 -0.04 2.33 4.20 -0.27 -0.18 115.11 121.73 1xsf h GLN 82 Ca -0.03 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1xsf h GLN 82 Cb 0.36 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 1xsf h GLN 82 CO 0.05 0.70 0.02 0.82 -0.67 0.00 0.00 178.83 179.76 1xsf h ILE 83 N 1.09 1.07 -0.74 2.54 2.04 -0.12 -2.05 117.51 121.34 1xsf h ILE 83 Ca 0.31 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 1xsf h ILE 83 Cb -0.09 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1xsf h ILE 83 CO -0.07 0.06 0.32 0.00 0.00 0.00 0.00 178.15 178.46 1xsf h ALA 84 N 0.94 1.17 -0.17 1.87 0.00 0.39 0.54 119.26 124.00 1xsf h ALA 84 Ca 0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1xsf h ALA 84 Cb 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1xsf h ALA 84 CO -0.00 0.61 0.04 0.28 0.00 0.00 0.00 179.25 180.18 1xsf h VAL 85 N 1.06 1.20 -0.14 0.00 2.07 -1.10 -2.10 116.25 117.24 1xsf h VAL 85 Ca 0.25 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1xsf h VAL 85 Cb 0.16 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1xsf h VAL 85 CO -0.03 0.19 0.09 0.00 0.02 0.00 0.00 177.57 177.85 1xsf h ALA 86 N 0.85 1.99 -0.59 1.67 0.00 -0.73 -2.18 119.26 120.27 1xsf h ALA 86 Ca 0.05 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1xsf h ALA 86 Cb 0.25 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1xsf h ALA 86 CO 0.00 -0.01 0.38 0.93 0.00 0.00 0.00 179.25 180.55 1xsf h GLU 87 N 0.12 0.74 -0.01 0.00 4.39 0.73 0.14 114.58 120.69 1xsf h GLU 87 Ca 0.06 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1xsf h GLU 87 Cb 0.09 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1xsf h GLU 87 CO -0.01 0.49 0.00 0.28 -1.16 0.00 0.00 179.01 178.61 1xsf h VAL 88 N 0.76 1.06 -0.08 3.13 2.07 -0.98 -1.74 116.25 120.48 1xsf h VAL 88 Ca 0.22 -0.18 -0.16 0.00 0.82 0.00 0.00 66.70 67.40 1xsf h VAL 88 Cb -0.05 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1xsf h VAL 88 CO -0.07 0.05 -0.66 0.00 0.02 0.00 0.00 177.57 176.92 1xsf h THR 89 N -0.06 1.39 -0.21 2.57 1.03 -1.51 -2.61 112.91 113.51 1xsf h THR 89 Ca 0.00 -2.06 -0.00 0.00 -0.01 0.00 0.00 66.41 64.34 1xsf h THR 89 Cb 0.07 2.05 -0.01 0.00 -1.07 0.00 0.00 68.15 69.19 1xsf h THR 89 CO -0.00 0.61 0.12 0.08 -0.01 0.00 0.00 175.52 176.32 1xsf h ARG 90 N 0.23 0.28 -0.26 0.00 0.11 -0.46 0.14 114.38 114.41 1xsf h ARG 90 Ca -0.01 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 60.02 1xsf h ARG 90 Cb 1.19 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 32.20 1xsf h ARG 90 CO 0.11 0.20 0.04 -0.07 0.10 0.00 0.00 179.97 180.34 1xsf h LEU 91 N 0.28 0.35 0.00 0.08 3.38 -0.92 0.53 115.31 119.01 1xsf h LEU 91 Ca 0.08 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1xsf h LEU 91 Cb -0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1xsf h LEU 91 CO -0.01 0.38 -0.68 0.03 0.09 0.00 0.00 178.44 178.25 1xsf h ARG 92 N 0.37 0.00 -0.04 1.13 3.08 -0.89 -3.40 114.38 114.64 1xsf h ARG 92 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1xsf h ARG 92 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1xsf h ARG 92 CO 0.00 0.74 0.00 0.00 -1.07 0.00 0.00 179.97 179.64 1xsf n GLN 93 N -4.54 0.51 0.00 0.04 0.00 0.25 -5.07 117.38 108.58 1xsf n GLN 93 Ca -0.19 -1.00 0.00 0.00 0.00 0.00 0.00 57.00 55.82 1xsf n GLN 93 Cb 0.49 -1.07 0.00 0.00 0.00 0.00 0.00 30.24 29.66 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 0.09 2.82 1.17 2.61 0.00 0.19 -1.79 105.19 110.27 1xsf n GLY 94 Ca 0.03 -0.30 0.02 0.00 0.00 0.00 0.00 46.02 45.76 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 12.52 0.36 0.10 1.61 7.02 -1.26 -4.26 117.44 133.53 1xsf n TRP 95 Ca 0.00 -1.30 0.01 0.00 -1.02 0.00 0.00 57.50 55.19 1xsf n TRP 95 Cb 0.00 -0.23 -0.02 0.00 -2.42 0.00 0.00 31.31 28.64 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 1.22 0.00 1.89 6.99 0.00 -1.75 -3.24 103.07 108.18 1xsf h GLY 96 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.21 1xsf h GLY 96 CO 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 176.54 176.23 1xsf h ALA 97 N 1.41 0.76 -2.96 3.60 0.00 -1.81 -3.41 119.26 116.85 1xsf h ALA 97 Ca -0.04 -0.32 -0.71 0.00 0.00 0.00 0.00 54.91 53.84 1xsf h ALA 97 Cb 1.49 -0.03 -0.28 0.00 0.00 0.00 0.00 17.79 18.97 1xsf h ALA 97 CO 0.07 0.42 -0.53 -1.58 0.00 0.00 0.00 179.25 177.63 1xsf s TRP 98 N -3.05 3.31 0.00 0.00 0.51 -1.22 -5.08 118.94 113.40 1xsf s TRP 98 Ca 0.04 -1.46 0.00 0.00 -2.12 0.00 0.00 56.10 52.56 1xsf s TRP 98 Cb 0.07 -2.63 0.00 0.00 -0.81 0.00 0.00 33.47 30.10 1xsf s TRP 98 CO 0.73 -0.78 0.00 -2.30 -0.51 0.00 0.00 176.95 174.09 1xsf n PRO 99 N 4.87 2.18 0.05 4.98 -0.02 -1.26 -4.01 135.00 141.79 1xsf n PRO 99 Ca -0.11 0.00 0.20 0.00 -2.02 0.00 0.00 63.50 61.57 1xsf n PRO 99 Cb 0.44 0.00 0.73 0.00 -0.02 0.00 0.00 33.50 34.65 1xsf n PRO 99 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1xsf h VAL 100 N 0.00 0.60 -0.96 -1.45 -1.51 -1.98 -0.24 116.25 110.71 1xsf h VAL 100 Ca 0.00 0.00 0.08 0.00 -1.23 0.00 0.00 66.70 65.55 1xsf h VAL 100 Cb 0.00 0.73 -0.07 0.00 -2.13 0.00 0.00 31.29 29.82 1xsf h VAL 100 CO 0.00 0.00 0.62 0.00 -1.23 0.00 0.00 177.57 176.96 1xsf h ALA 102 N 1.50 0.27 -0.50 0.00 0.00 -1.17 -2.19 119.26 117.18 1xsf h ALA 102 Ca 0.42 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xsf h ALA 102 Cb 0.26 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1xsf h ALA 102 CO -0.18 0.33 0.27 0.00 0.00 0.00 0.00 179.25 179.68 1xsf h ALA 103 N 0.58 0.63 0.00 0.00 0.00 -1.30 0.77 119.26 119.95 1xsf h ALA 103 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xsf h ALA 103 Cb 0.94 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1xsf h ALA 103 CO 0.08 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.48 1xsf h ARG 104 N 0.66 0.00 0.00 0.00 -0.00 -0.51 -2.57 114.38 111.96 1xsf h ARG 104 Ca 0.17 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.62 1xsf h ARG 104 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.01 1xsf h ARG 104 CO -0.03 0.00 -1.18 0.00 0.00 0.00 0.00 179.97 178.76 1xsf n ALA 105 N -2.05 2.43 0.00 0.04 0.00 -0.38 -4.98 120.51 115.56 1xsf n ALA 105 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1xsf n ALA 105 Cb 0.23 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 1.23 0.61 3.75 0.00 0.00 0.13 -4.34 105.19 106.58 1xsf n GLY 106 Ca -0.02 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.86 2.57 0.00 4.61 0.00 -0.61 -4.91 121.76 122.55 1xsf s ALA 107 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.04 1xsf s ALA 107 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1xsf s ALA 107 CO 0.00 -1.23 0.05 0.54 0.00 0.00 0.00 175.76 175.11