#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 0.00-10.14 -1.90 2.41 0.31 -1.26 -4.85 118.33 102.91 1xsf n VAL 2 Ca 0.00 1.43 -0.42 0.00 -0.01 0.00 0.00 64.34 65.34 1xsf n VAL 2 Cb 0.00 -6.30 -0.03 0.00 -0.91 0.00 0.00 33.84 26.60 1xsf n VAL 2 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1xsf s VAL 3 N -1.71 3.35 -0.07 2.52 1.01 -1.26 -5.01 120.40 119.24 1xsf s VAL 3 Ca 0.06 0.48 -0.01 0.00 0.00 0.00 0.00 61.98 62.50 1xsf s VAL 3 Cb -0.01 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 1xsf s VAL 3 CO 0.67 -0.04 0.01 -0.69 0.00 0.00 0.00 175.10 175.05 1xsf s VAL 4 N 4.00 4.32 -0.30 2.92 1.01 -1.26 -5.09 120.40 126.00 1xsf s VAL 4 Ca 0.78 -0.30 -0.20 0.00 0.00 0.00 0.00 61.98 62.26 1xsf s VAL 4 Cb -0.37 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 1xsf s VAL 4 CO 0.33 0.57 0.63 0.28 0.00 0.00 0.00 175.10 176.91 1xsf s THR 5 N -0.93 4.94 0.62 3.92 -1.32 -1.26 -5.05 115.64 116.56 1xsf s THR 5 Ca 0.15 0.90 -0.07 0.00 -1.21 0.00 0.00 61.69 61.45 1xsf s THR 5 Cb -0.11 -4.00 0.01 0.00 -1.51 0.00 0.00 72.50 66.89 1xsf s THR 5 CO 0.04 -0.13 0.94 -2.16 -2.21 0.00 0.00 174.62 171.10 1xsf s PRO 6 N 2.61 2.84 -1.61 7.08 0.05 -1.26 -4.08 135.00 140.63 1xsf s PRO 6 Ca 0.26 0.04 0.00 0.00 0.05 0.00 0.00 61.00 61.35 1xsf s PRO 6 Cb -0.15 -2.22 0.00 0.00 0.05 0.00 0.00 34.50 32.18 1xsf s PRO 6 CO 0.11 -0.80 0.00 0.00 0.05 0.00 0.00 177.00 176.36 1xsf n ALA 7 N -2.68 -0.32 1.40 8.56 0.00 -1.26 -4.77 120.51 121.45 1xsf n ALA 7 Ca 0.05 0.23 0.15 0.00 0.00 0.00 0.00 53.44 53.87 1xsf n ALA 7 Cb 0.58 -1.64 0.72 0.00 0.00 0.00 0.00 19.45 19.11 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 -2.32 0.00 -1.95 0.00 -0.00 -1.26 -4.91 115.22 104.79 1xsf n HIS 8 Ca -0.16 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.17 1xsf n HIS 8 Cb 0.54 -0.28 0.02 0.00 -0.00 0.00 0.00 29.99 30.27 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 -2.58 3.48 -0.96 1.57 -1.05 -1.26 -4.93 118.70 112.97 1xsf s GLU 9 Ca 0.28 2.12 -0.01 0.00 -0.15 0.00 0.00 54.97 57.21 1xsf s GLU 9 Cb 0.20 -2.41 0.31 0.00 -0.44 0.00 0.00 34.13 31.80 1xsf s GLU 9 CO 0.47 -0.88 1.51 0.00 0.95 0.00 0.00 175.26 177.31 1xsf n ALA 10 N -0.64 5.44 0.19 -0.84 0.00 -1.26 -4.77 120.51 118.64 1xsf n ALA 10 Ca 0.08 -4.70 0.15 0.00 0.00 0.00 0.00 53.44 48.96 1xsf n ALA 10 Cb 0.45 -1.94 0.76 0.00 0.00 0.00 0.00 19.45 18.71 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 2.79 0.70 -6.26 0.00 3.04 -1.98 -3.47 116.25 111.07 1xsf h VAL 11 Ca 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.04 1xsf h VAL 11 Cb 0.47 0.89 -0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1xsf h VAL 11 CO 1.16 0.00 -0.96 0.52 -1.01 0.00 0.00 177.57 177.28 1xsf n VAL 12 N -4.16 -2.80 -3.02 1.51 0.31 -1.26 -4.89 118.33 104.03 1xsf n VAL 12 Ca 0.01 0.59 -0.42 0.00 -0.01 0.00 0.00 64.34 64.52 1xsf n VAL 12 Cb 0.27 -3.30 -0.06 0.00 -0.91 0.00 0.00 33.84 29.84 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 -1.00 3.71 0.64 5.55 1.70 -1.26 -5.03 118.95 123.26 1xsf s ARG 13 Ca -0.00 0.20 -0.11 0.00 -0.47 0.00 0.00 55.73 55.34 1xsf s ARG 13 Cb 0.00 -3.81 -0.03 0.00 -0.57 0.00 0.00 34.95 30.54 1xsf s ARG 13 CO 0.07 -0.81 1.05 0.08 -1.08 0.00 0.00 175.30 174.60 1xsf s VAL 14 N 2.94 4.39 0.00 4.99 1.01 -1.26 -5.00 120.40 127.47 1xsf s VAL 14 Ca 0.28 0.78 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1xsf s VAL 14 Cb -0.14 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1xsf s VAL 14 CO 0.16 -1.02 0.00 0.61 0.00 0.00 0.00 175.10 174.85 1xsf n GLY 15 N -2.80 -0.46 0.27 4.51 0.00 -1.26 -5.03 105.19 100.42 1xsf n GLY 15 Ca 0.06 0.47 -0.03 0.00 0.00 0.00 0.00 46.02 46.52 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 1.24 -6.10 2.61 2.02 -2.07 -3.47 112.91 107.14 1xsf h THR 16 Ca 0.00 -1.03 -0.36 0.00 0.77 0.00 0.00 66.41 65.79 1xsf h THR 16 Cb 0.00 1.02 0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1xsf h THR 16 CO 0.00 0.35 -1.07 0.29 0.37 0.00 0.00 175.52 175.46 1xsf n LYS 17 N -4.20 -1.66 -0.87 6.66 4.76 -1.26 -4.91 118.16 116.68 1xsf n LYS 17 Ca 0.01 1.18 -0.30 0.00 -2.87 0.00 0.00 58.31 56.33 1xsf n LYS 17 Cb 0.32 -1.78 0.17 0.00 -1.84 0.00 0.00 35.03 31.90 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 -2.47 0.80 0.00 1.97 0.02 -1.26 -4.44 135.00 129.62 1xsf s PRO 18 Ca 0.30 1.15 0.00 0.00 0.02 0.00 0.00 61.00 62.47 1xsf s PRO 18 Cb -0.03 -1.73 0.00 0.00 0.02 0.00 0.00 34.50 32.76 1xsf s PRO 18 CO 0.78 -2.65 0.00 0.41 -0.33 0.00 0.00 177.00 175.20 1xsf n GLY 19 N -0.20 3.62 0.19 0.52 0.00 -1.26 -4.82 105.19 103.24 1xsf n GLY 19 Ca 0.08 -0.71 0.02 0.00 0.00 0.00 0.00 46.02 45.41 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 1.26 -4.07 2.61 2.02 -1.95 -3.42 112.91 109.36 1xsf h THR 20 Ca 0.00 -1.25 -0.54 0.00 0.77 0.00 0.00 66.41 65.38 1xsf h THR 20 Cb 0.00 1.67 -0.30 0.00 -1.74 0.00 0.00 68.15 67.78 1xsf h THR 20 CO 0.00 0.36 -0.83 -1.61 0.37 0.00 0.00 175.52 173.81 1xsf s GLU 21 N -4.21 1.56 -0.10 6.66 2.02 -1.26 -5.12 118.70 118.25 1xsf s GLU 21 Ca -0.03 -0.59 -0.29 0.00 0.02 0.00 0.00 54.97 54.08 1xsf s GLU 21 Cb 0.14 -1.42 -0.01 0.00 0.10 0.00 0.00 34.13 32.94 1xsf s GLU 21 CO 0.73 0.29 1.00 0.08 0.02 0.00 0.00 175.26 177.37 1xsf s VAL 22 N -0.14 4.79 0.33 2.63 1.01 -1.26 -4.67 120.40 123.09 1xsf s VAL 22 Ca 0.01 2.03 -0.28 0.00 0.00 0.00 0.00 61.98 63.73 1xsf s VAL 22 Cb -0.09 -4.31 -0.13 0.00 0.00 0.00 0.00 36.38 31.85 1xsf s VAL 22 CO 0.01 0.02 1.19 -2.65 0.00 0.00 0.00 175.10 173.66 1xsf n PRO 23 N 4.95 1.85 -1.69 2.72 -0.02 -1.26 -4.89 135.00 136.66 1xsf n PRO 23 Ca 0.08 0.65 -0.43 0.00 -2.02 0.00 0.00 63.50 61.78 1xsf n PRO 23 Cb 0.49 -2.16 -0.01 0.00 -0.02 0.00 0.00 33.50 31.80 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 0.59 2.12 -3.50 0.52 -0.04 -1.26 -4.98 135.00 128.45 1xsf n PRO 24 Ca 0.06 0.74 -0.37 0.00 -0.04 0.00 0.00 63.50 63.90 1xsf n PRO 24 Cb 0.35 -2.33 -0.07 0.00 -0.04 0.00 0.00 33.50 31.41 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 -0.96 5.28 0.08 0.52 0.11 -1.26 -4.97 120.40 119.20 1xsf s VAL 25 Ca 0.57 0.62 0.08 0.00 -2.93 0.00 0.00 61.98 60.32 1xsf s VAL 25 Cb -0.58 -3.67 -0.22 0.00 -1.53 0.00 0.00 36.38 30.39 1xsf s VAL 25 CO 0.61 0.38 1.14 0.40 -3.33 0.00 0.00 175.10 174.30 1xsf h ILE 26 N 4.68 1.53 -0.01 7.04 1.08 -2.04 -3.24 117.51 126.55 1xsf h ILE 26 Ca -0.41 -3.26 0.00 0.00 -0.39 0.00 0.00 64.86 60.79 1xsf h ILE 26 Cb 1.17 2.76 0.00 0.00 -3.07 0.00 0.00 36.82 37.68 1xsf h ILE 26 CO 0.75 0.87 -0.11 0.47 -0.69 0.00 0.00 178.15 179.44 1xsf n ASP 27 N -3.29 0.70 0.00 1.72 8.00 -1.26 -3.35 116.55 119.07 1xsf n ASP 27 Ca -0.04 -0.82 0.08 0.00 0.71 0.00 0.00 54.79 54.72 1xsf n ASP 27 Cb 0.97 -0.01 0.38 0.00 -0.02 0.00 0.00 41.12 42.43 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 1.25 -0.90 0.17 0.44 0.00 -1.22 -0.74 105.19 104.19 1xsf n GLY 28 Ca 0.15 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 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 0.75 -0.01 1.61 0.02 -1.78 0.32 113.55 114.47 1xsf h SER 29 Ca 0.00 -0.66 -0.18 0.00 -0.84 0.00 0.00 61.79 60.11 1xsf h SER 29 Cb 0.20 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 1xsf h SER 29 CO 0.00 1.47 -0.61 0.40 -1.14 0.00 0.00 176.83 176.95 1xsf h ILE 30 N 0.28 1.32 -0.24 3.27 2.04 -1.11 0.12 117.51 123.19 1xsf h ILE 30 Ca -0.14 -1.87 -0.18 0.00 1.00 0.00 0.00 64.86 63.67 1xsf h ILE 30 Cb 1.78 1.84 -0.00 0.00 -0.74 0.00 0.00 36.82 39.69 1xsf h ILE 30 CO 0.21 0.58 -0.56 -0.50 0.00 0.00 0.00 178.15 177.88 1xsf h TRP 31 N 0.46 0.93 0.00 1.37 -0.00 -0.97 -0.43 115.95 117.31 1xsf h TRP 31 Ca -0.01 -0.33 -0.19 0.00 -0.00 0.00 0.00 58.89 58.36 1xsf h TRP 31 Cb 1.18 -0.17 -0.03 0.00 -0.00 0.00 0.00 29.16 30.14 1xsf h TRP 31 CO 0.06 1.12 -0.92 0.22 -0.00 0.00 0.00 178.44 178.92 1xsf h ASP 32 N 0.56 0.01 0.20 -3.49 3.58 -0.31 -1.31 116.42 115.66 1xsf h ASP 32 Ca 0.01 -0.01 -0.14 0.00 0.42 0.00 0.00 57.03 57.31 1xsf h ASP 32 Cb 1.14 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.18 1xsf h ASP 32 CO 0.12 0.93 -0.51 0.00 -2.88 0.00 0.00 179.24 176.89 1xsf h ALA 33 N 1.07 0.89 -0.27 -0.78 0.00 -0.59 0.45 119.26 120.03 1xsf h ALA 33 Ca -0.01 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1xsf h ALA 33 Cb 1.63 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1xsf h ALA 33 CO 0.12 0.67 0.06 0.82 0.00 0.00 0.00 179.25 180.92 1xsf h ILE 34 N 0.27 1.22 -0.96 0.00 2.04 -1.02 -1.08 117.51 117.98 1xsf h ILE 34 Ca 0.01 -0.73 0.04 0.00 1.00 0.00 0.00 64.86 65.18 1xsf h ILE 34 Cb 0.99 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 38.19 1xsf h ILE 34 CO 0.08 0.24 0.63 0.00 0.00 0.00 0.00 178.15 179.10 1xsf h ALA 35 N 0.89 1.39 0.00 1.87 0.00 -0.92 0.46 119.26 122.94 1xsf h ALA 35 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xsf h ALA 35 Cb 0.30 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xsf h ALA 35 CO 0.00 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.18 1xsf n GLY 36 N -1.38 -1.19 0.04 0.00 0.00 0.15 -0.15 105.19 102.66 1xsf n GLY 36 Ca 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 1xsf n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsf n GLU 38 N -3.50 0.68 0.02 0.00 1.02 -0.57 -4.09 120.64 114.20 1xsf n GLU 38 Ca -0.05 0.28 0.12 0.00 -0.02 0.00 0.00 57.16 57.49 1xsf n GLU 38 Cb 0.17 -1.76 0.22 0.00 -0.02 0.00 0.00 31.44 30.05 1xsf n GLU 38 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xsf n ALA 39 N -2.72 3.32 -1.04 0.62 0.00 -0.55 -4.91 120.51 115.24 1xsf n ALA 39 Ca -0.23 -0.32 -0.01 0.00 0.00 0.00 0.00 53.44 52.88 1xsf n ALA 39 Cb 1.05 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 19.37 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 1.44 0.50 1.41 0.00 0.00 -0.35 -3.28 105.19 104.90 1xsf n GLY 40 Ca 0.05 -0.30 -0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.35 0.77 2.80 -0.02 0.00 0.78 -4.83 105.19 102.34 1xsf n GLY 41 Ca -0.01 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.01 1.13 0.08 1.61 3.04 -1.21 -4.95 114.94 111.64 1xsf s ASN 42 Ca 0.01 -0.29 0.26 0.00 0.04 0.00 0.00 52.86 52.88 1xsf s ASN 42 Cb -0.00 0.65 0.77 0.00 -1.54 0.00 0.00 41.25 41.14 1xsf s ASN 42 CO 0.01 -0.34 1.65 0.79 -3.04 0.00 0.00 177.10 176.17 1xsf n TRP 43 N 5.33 0.38 -0.54 0.43 7.02 -1.26 -0.69 117.44 128.10 1xsf n TRP 43 Ca -0.04 0.11 0.08 0.00 -1.02 0.00 0.00 57.50 56.63 1xsf n TRP 43 Cb 0.49 -0.60 0.26 0.00 -2.42 0.00 0.00 31.31 29.03 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 -1.65 2.69 -1.78 6.99 0.00 -1.26 -3.49 120.51 122.02 1xsf n ALA 44 Ca 0.05 -1.59 -0.37 0.00 0.00 0.00 0.00 53.44 51.53 1xsf n ALA 44 Cb 0.39 -0.73 -0.05 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 -1.72 3.93 -0.29 0.00 2.07 -1.18 -4.89 121.20 119.13 1xsf s ILE 45 Ca 0.39 1.60 0.04 0.00 -1.41 0.00 0.00 60.65 61.27 1xsf s ILE 45 Cb 0.25 -3.88 0.18 0.00 0.13 0.00 0.00 42.46 39.14 1xsf s ILE 45 CO 0.18 0.12 0.51 0.21 -1.91 0.00 0.00 174.94 174.06 1xsf s ASN 46 N -1.50 -0.76 0.40 4.50 3.84 -1.26 0.05 114.94 120.21 1xsf s ASN 46 Ca 0.52 -0.02 0.21 0.00 0.21 0.00 0.00 52.86 53.79 1xsf s ASN 46 Cb -0.22 1.64 0.75 0.00 -0.55 0.00 0.00 41.25 42.87 1xsf s ASN 46 CO 0.27 -0.32 1.76 0.71 -2.79 0.00 0.00 177.10 176.73 1xsf h THR 47 N 6.07 0.69 0.00 -5.21 1.35 -1.96 -3.47 112.91 110.38 1xsf h THR 47 Ca -0.05 -1.36 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 1xsf h THR 47 Cb 1.16 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 69.46 1xsf h THR 47 CO 0.20 0.29 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 1xsf n GLY 48 N 0.29 0.88 0.70 5.82 0.00 -1.26 -4.97 105.19 106.65 1xsf n GLY 48 Ca 0.00 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 0.30 2.04 0.00 1.61 6.94 -1.26 -4.84 115.26 120.05 1xsf n ASN 49 Ca 0.00 -1.97 0.00 0.00 -0.02 0.00 0.00 54.58 52.59 1xsf n ASN 49 Cb 0.00 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.18 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 1.12 1.11 3.63 4.83 0.00 -1.26 -5.03 105.19 109.58 1xsf n GLY 50 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.28 2.66 0.38 1.61 1.51 -1.26 -0.73 117.35 119.23 1xsf s TYR 51 Ca 0.00 -0.23 0.05 0.00 -1.01 0.00 0.00 57.07 55.88 1xsf s TYR 51 Cb 0.00 -1.18 -0.07 0.00 -0.11 0.00 0.00 41.96 40.60 1xsf s TYR 51 CO 0.00 0.63 0.03 0.71 -1.11 0.00 0.00 175.55 175.81 1xsf s TYR 52 N -2.32 2.24 0.00 2.71 1.51 -0.74 -4.48 117.35 116.27 1xsf s TYR 52 Ca 0.31 -0.82 0.00 0.00 -1.01 0.00 0.00 57.07 55.55 1xsf s TYR 52 Cb -0.06 -1.55 0.00 0.00 -0.11 0.00 0.00 41.96 40.24 1xsf s TYR 52 CO 0.19 0.23 0.00 0.41 -1.11 0.00 0.00 175.55 175.28 1xsf n GLY 53 N -0.87 -2.39 7.00 0.71 0.00 0.11 -2.82 105.19 106.93 1xsf n GLY 53 Ca -0.05 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 2.47 1.55 0.17 -0.02 0.00 0.13 -2.13 105.19 107.36 1xsf n GLY 54 Ca 0.00 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.16 1xsf n GLY 54 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xsf n VAL 55 N 0.00 0.00 -3.47 1.61 0.24 -1.26 -3.64 118.33 111.81 1xsf n VAL 55 Ca 0.00 -0.09 -0.18 0.00 -2.04 0.00 0.00 64.34 62.03 1xsf n VAL 55 Cb 0.00 -0.13 0.07 0.00 -1.47 0.00 0.00 33.84 32.31 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 -0.60 -4.86 -4.51 7.34 -0.06 -0.91 -4.86 117.38 108.92 1xsf n GLN 56 Ca 0.21 0.78 -0.24 0.00 -2.00 0.00 0.00 57.00 55.75 1xsf n GLN 56 Cb 0.21 -5.60 -0.10 0.00 -4.06 0.00 0.00 30.24 20.69 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 -3.45 2.01 0.70 3.69 -0.71 -1.21 -4.76 117.98 114.25 1xsf s PHE 57 Ca 0.14 -0.97 -0.11 0.00 -1.04 0.00 0.00 56.93 54.94 1xsf s PHE 57 Cb -0.02 -1.36 0.01 0.00 -1.21 0.00 0.00 43.02 40.44 1xsf s PHE 57 CO 0.76 0.03 1.07 0.16 -1.34 0.00 0.00 175.22 175.90 1xsf s ASP 58 N -3.57 5.42 0.23 1.98 -4.77 -1.26 -1.79 116.67 112.92 1xsf s ASP 58 Ca 0.32 1.36 -0.06 0.00 -3.30 0.00 0.00 52.55 50.86 1xsf s ASP 58 Cb 0.07 -2.23 0.29 0.00 -1.09 0.00 0.00 42.92 39.97 1xsf s ASP 58 CO 0.15 -1.38 1.86 -0.61 0.70 0.00 0.00 175.17 175.88 1xsf h GLN 59 N -0.68 0.94 -0.03 2.11 5.75 -1.30 -1.46 115.11 120.45 1xsf h GLN 59 Ca -0.45 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 57.99 1xsf h GLN 59 Cb 1.23 -0.21 -0.00 0.00 1.07 0.00 0.00 27.48 29.57 1xsf h GLN 59 CO 0.61 0.62 -0.01 0.78 -2.65 0.00 0.00 178.83 178.18 1xsf h GLY 60 N 0.97 0.06 1.01 2.39 0.00 -1.93 0.38 103.07 105.95 1xsf h GLY 60 Ca 0.35 -0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.57 1xsf h GLY 60 CO -0.15 0.05 0.11 -0.84 0.00 0.00 0.00 176.54 175.70 1xsf h THR 61 N -0.31 1.25 -0.32 4.70 2.02 -1.95 0.31 112.91 118.62 1xsf h THR 61 Ca 0.01 -0.94 0.04 0.00 0.77 0.00 0.00 66.41 66.29 1xsf h THR 61 Cb 0.40 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 1xsf h THR 61 CO 0.00 0.34 0.08 -0.25 0.37 0.00 0.00 175.52 176.07 1xsf h TRP 62 N 0.80 0.14 -0.49 3.16 2.91 -1.11 -0.46 115.95 120.91 1xsf h TRP 62 Ca 0.17 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 60.13 1xsf h TRP 62 Cb 0.39 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.00 1xsf h TRP 62 CO 0.03 0.05 -0.03 1.49 -1.03 0.00 0.00 178.44 178.94 1xsf h GLU 63 N 0.20 0.84 -0.54 2.65 4.81 0.08 0.44 114.58 123.06 1xsf h GLU 63 Ca 0.15 -0.25 -0.08 0.00 -0.13 0.00 0.00 59.36 59.05 1xsf h GLU 63 Cb 0.14 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1xsf h GLU 63 CO -0.18 0.86 0.02 0.00 -0.73 0.00 0.00 179.01 178.98 1xsf h ALA 64 N 1.19 0.73 0.00 2.92 0.00 0.22 -1.35 119.26 122.97 1xsf h ALA 64 Ca 0.14 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1xsf h ALA 64 Cb 0.51 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1xsf h ALA 64 CO 0.03 0.53 0.00 0.09 0.00 0.00 0.00 179.25 179.90 1xsf n ASN 65 N -4.29 0.49 -0.30 0.00 5.03 -0.24 -4.91 115.26 111.04 1xsf n ASN 65 Ca 0.02 0.57 0.00 0.00 0.87 0.00 0.00 54.58 56.03 1xsf n ASN 65 Cb 0.32 -0.69 0.00 0.00 -1.02 0.00 0.00 39.78 38.38 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 0.94 0.71 0.22 7.41 0.00 -0.51 -4.97 105.19 108.99 1xsf n GLY 66 Ca 0.05 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.35 -3.30 103.07 101.40 1xsf h GLY 67 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1xsf h GLY 67 CO 0.00 0.00 -0.08 1.41 0.00 0.00 0.00 176.54 177.87 1xsf h LEU 68 N 0.00 0.00 -1.38 3.11 4.07 -1.77 0.23 115.31 119.57 1xsf h LEU 68 Ca -0.00 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.90 1xsf h LEU 68 Cb 1.02 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 1xsf h LEU 68 CO 0.00 0.08 -0.22 0.08 -1.08 0.00 0.00 178.44 177.30 1xsf h ARG 69 N 0.00 0.13 0.15 1.13 0.11 -1.97 -1.83 114.38 112.10 1xsf h ARG 69 Ca -0.00 -0.04 -0.29 0.00 0.10 0.00 0.00 59.98 59.75 1xsf h ARG 69 Cb 0.28 -0.01 0.01 0.00 1.11 0.00 0.00 29.97 31.35 1xsf h ARG 69 CO 0.01 0.35 -1.36 1.88 0.10 0.00 0.00 179.97 180.95 1xsf h TYR 70 N 0.12 0.57 0.00 4.08 0.05 -0.89 -3.48 116.97 117.42 1xsf h TYR 70 Ca 0.02 -0.42 0.00 0.00 0.05 0.00 0.00 58.73 58.38 1xsf h TYR 70 Cb 0.46 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.18 1xsf h TYR 70 CO 0.00 1.36 0.00 0.00 -1.05 0.00 0.00 178.16 178.47 1xsf n ALA 71 N -2.60 0.00 0.00 3.88 0.00 0.17 -4.61 120.51 117.35 1xsf n ALA 71 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1xsf n ALA 71 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.49 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 -1.12 -3.36 135.00 126.72 1xsf n PRO 72 Ca 0.00 0.16 -0.13 0.00 -2.02 0.00 0.00 63.50 61.51 1xsf n PRO 72 Cb 0.00 -1.51 -0.14 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 -2.30 0.13 0.54 -0.52 1.70 -1.26 -4.82 118.95 112.43 1xsf s ARG 73 Ca 0.00 0.33 0.22 0.00 -0.47 0.00 0.00 55.73 55.81 1xsf s ARG 73 Cb 0.00 -0.08 1.42 0.00 -0.57 0.00 0.00 34.95 35.73 1xsf s ARG 73 CO 0.00 -0.11 2.11 0.00 -1.08 0.00 0.00 175.30 176.22 1xsf h ALA 74 N 6.74 2.06 -0.00 7.88 0.00 -1.91 -0.75 119.26 133.28 1xsf h ALA 74 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1xsf h ALA 74 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1xsf h ALA 74 CO 0.42 -0.23 -0.06 -0.40 0.00 0.00 0.00 179.25 178.97 1xsf n ASP 75 N -4.30 0.51 -0.05 0.00 5.75 -1.26 -2.15 116.55 115.05 1xsf n ASP 75 Ca 0.01 -0.81 -0.05 0.00 -0.01 0.00 0.00 54.79 53.93 1xsf n ASP 75 Cb 0.27 -0.05 -0.14 0.00 -1.03 0.00 0.00 41.12 40.16 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 -0.79 0.32 -4.84 -2.12 7.94 -0.32 -4.55 117.00 112.63 1xsf n LEU 76 Ca 0.17 0.15 -0.32 0.00 -1.11 0.00 0.00 56.01 54.90 1xsf n LEU 76 Cb 0.25 0.30 -0.03 0.00 0.53 0.00 0.00 43.42 44.46 1xsf n LEU 76 CO 0.21 0.35 0.67 0.00 -1.11 0.00 0.00 177.39 177.52 1xsf s ALA 77 N -2.72 3.07 0.15 1.96 0.00 -0.91 -4.95 121.76 118.36 1xsf s ALA 77 Ca -0.07 0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.08 1xsf s ALA 77 Cb 0.08 -3.11 0.03 0.00 0.00 0.00 0.00 23.12 20.12 1xsf s ALA 77 CO 0.84 -0.22 0.21 0.25 0.00 0.00 0.00 175.76 176.83 1xsf n THR 78 N -1.56 0.00 -0.12 0.00 -2.24 -1.26 -4.78 114.28 104.31 1xsf n THR 78 Ca 0.06 -0.50 -0.06 0.00 -2.27 0.00 0.00 64.05 61.28 1xsf n THR 78 Cb 0.54 -0.87 -0.00 0.00 -2.10 0.00 0.00 70.33 67.90 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 -0.19 -0.91 -0.78 3.08 -1.96 0.14 114.38 113.77 1xsf h ARG 79 Ca -0.07 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.00 1xsf h ARG 79 Cb 0.32 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 1xsf h ARG 79 CO 0.10 -0.13 0.60 1.05 -1.07 0.00 0.00 179.97 180.52 1xsf h GLU 80 N -0.20 1.18 0.13 0.04 4.11 -1.98 0.30 114.58 118.16 1xsf h GLU 80 Ca 0.19 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 59.54 1xsf h GLU 80 Cb 0.50 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1xsf h GLU 80 CO -0.53 0.78 -0.06 0.93 0.07 0.00 0.00 179.01 180.20 1xsf h GLU 81 N 1.22 -0.16 -0.66 1.06 3.07 -1.71 -2.46 114.58 114.93 1xsf h GLU 81 Ca 0.33 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.21 1xsf h GLU 81 Cb -0.13 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.78 1xsf h GLU 81 CO -0.08 0.19 0.44 1.96 -1.40 0.00 0.00 179.01 180.12 1xsf h GLN 82 N -0.54 0.87 -0.89 2.33 4.20 -0.37 -1.43 115.11 119.28 1xsf h GLN 82 Ca -0.02 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1xsf h GLN 82 Cb 0.43 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.97 1xsf h GLN 82 CO 0.03 0.58 0.55 0.82 -0.67 0.00 0.00 178.83 180.13 1xsf h ILE 83 N 0.90 1.24 -0.61 2.54 2.04 -0.50 0.28 117.51 123.40 1xsf h ILE 83 Ca 0.24 -0.51 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 1xsf h ILE 83 Cb -0.10 -0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 35.93 1xsf h ILE 83 CO -0.05 0.25 0.22 0.00 0.00 0.00 0.00 178.15 178.57 1xsf h ALA 84 N 1.30 0.80 -0.09 1.87 0.00 -0.78 0.62 119.26 122.98 1xsf h ALA 84 Ca 0.32 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1xsf h ALA 84 Cb -0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1xsf h ALA 84 CO -0.06 0.44 -0.06 0.28 0.00 0.00 0.00 179.25 179.85 1xsf h VAL 85 N 0.87 1.34 -0.21 0.00 2.07 -1.14 -2.48 116.25 116.70 1xsf h VAL 85 Ca 0.20 -1.15 0.06 0.00 0.82 0.00 0.00 66.70 66.64 1xsf h VAL 85 Cb 0.24 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1xsf h VAL 85 CO -0.01 0.32 0.15 0.00 0.02 0.00 0.00 177.57 178.05 1xsf h ALA 86 N 0.60 2.17 -0.90 1.67 0.00 -0.74 -1.27 119.26 120.79 1xsf h ALA 86 Ca 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xsf h ALA 86 Cb 0.54 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1xsf h ALA 86 CO 0.02 -0.26 0.54 0.93 0.00 0.00 0.00 179.25 180.48 1xsf h GLU 87 N 0.00 1.21 -0.16 0.00 4.39 0.70 0.61 114.58 121.34 1xsf h GLU 87 Ca 0.10 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1xsf h GLU 87 Cb 0.40 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1xsf h GLU 87 CO -0.00 0.85 0.07 0.28 -1.16 0.00 0.00 179.01 179.04 1xsf h VAL 88 N 1.23 1.15 -0.20 3.13 2.07 -1.02 -2.83 116.25 119.79 1xsf h VAL 88 Ca 0.32 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1xsf h VAL 88 Cb -0.06 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1xsf h VAL 88 CO -0.06 0.14 0.08 0.74 0.02 0.00 0.00 177.57 178.49 1xsf h THR 89 N 0.10 1.17 -0.24 2.57 2.02 -0.88 -2.62 112.91 115.03 1xsf h THR 89 Ca 0.05 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.69 1xsf h THR 89 Cb 0.16 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1xsf h THR 89 CO -0.00 0.17 0.02 0.08 0.37 0.00 0.00 175.52 176.15 1xsf h ARG 90 N 0.17 0.35 -0.14 6.66 0.11 0.14 -2.36 114.38 119.31 1xsf h ARG 90 Ca 0.07 -0.05 -0.07 0.00 0.10 0.00 0.00 59.98 60.02 1xsf h ARG 90 Cb 0.19 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.19 1xsf h ARG 90 CO -0.00 0.36 -0.24 1.25 0.10 0.00 0.00 179.97 181.44 1xsf h LEU 91 N 0.34 0.23 0.07 0.08 5.85 -1.20 0.40 115.31 121.08 1xsf h LEU 91 Ca 0.08 -0.07 -0.20 0.00 0.84 0.00 0.00 57.88 58.53 1xsf h LEU 91 Cb 0.20 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1xsf h LEU 91 CO 0.00 0.48 -1.03 0.03 -0.34 0.00 0.00 178.44 177.59 1xsf h ARG 92 N 0.22 0.15 0.00 1.25 3.08 -1.32 -3.41 114.38 114.35 1xsf h ARG 92 Ca 0.04 -0.25 -0.24 0.00 0.07 0.00 0.00 59.98 59.59 1xsf h ARG 92 Cb 0.54 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.64 1xsf h ARG 92 CO 0.04 1.12 -2.16 0.00 -1.07 0.00 0.00 179.97 177.89 1xsf n GLN 93 N -4.20 0.89 -0.96 0.04 10.64 -1.05 -5.02 117.38 117.73 1xsf n GLN 93 Ca -0.22 -0.06 0.00 0.00 -1.83 0.00 0.00 57.00 54.89 1xsf n GLN 93 Cb 0.76 -1.47 0.00 0.00 -0.86 0.00 0.00 30.24 28.67 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 1.74 1.00 2.74 2.61 0.00 0.14 -3.76 105.19 109.66 1xsf n GLY 94 Ca -0.23 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.01 0.00 -0.24 1.61 7.02 -1.22 -4.72 117.44 118.88 1xsf n TRP 95 Ca 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.51 1xsf n TRP 95 Cb 0.19 -0.80 0.27 0.00 -2.42 0.00 0.00 31.31 28.56 1xsf n TRP 95 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1xsf h GLY 96 N 0.00 1.12 2.00 6.99 0.00 -1.89 -0.69 103.07 110.61 1xsf h GLY 96 Ca 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1xsf h GLY 96 CO 0.00 0.32 -0.10 0.00 0.00 0.00 0.00 176.54 176.76 1xsf h ALA 97 N 1.54 1.06 -2.33 3.60 0.00 -1.90 -3.37 119.26 117.87 1xsf h ALA 97 Ca 0.33 -0.09 -0.74 0.00 0.00 0.00 0.00 54.91 54.41 1xsf h ALA 97 Cb 0.09 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 17.63 1xsf h ALA 97 CO -0.10 0.12 -0.33 -1.58 0.00 0.00 0.00 179.25 177.37 1xsf s TRP 98 N -3.79 3.26 0.00 0.00 0.51 -0.26 -5.02 118.94 113.63 1xsf s TRP 98 Ca -0.00 -1.08 0.00 0.00 -2.12 0.00 0.00 56.10 52.90 1xsf s TRP 98 Cb 0.10 -3.27 0.00 0.00 -0.81 0.00 0.00 33.47 29.49 1xsf s TRP 98 CO 0.57 -0.85 0.00 -2.30 -0.51 0.00 0.00 176.95 173.87 1xsf n PRO 99 N 5.17 0.00 0.14 4.98 -0.02 -1.26 -3.60 135.00 140.41 1xsf n PRO 99 Ca -0.12 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.34 1xsf n PRO 99 Cb 0.43 -0.18 0.19 0.00 -0.02 0.00 0.00 33.50 33.92 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 1.42 0.00 -1.45 2.07 -1.95 -3.20 116.25 113.14 1xsf h VAL 100 Ca 0.00 -2.00 -0.13 0.00 0.82 0.00 0.00 66.70 65.39 1xsf h VAL 100 Cb 0.00 2.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1xsf h VAL 100 CO 0.00 0.57 -0.63 0.00 0.02 0.00 0.00 177.57 177.53 1xsf h ALA 102 N 1.37 0.23 -0.11 0.00 0.00 -1.61 -0.48 119.26 118.65 1xsf h ALA 102 Ca -0.01 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1xsf h ALA 102 Cb 1.33 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1xsf h ALA 102 CO 0.08 0.12 -0.33 0.00 0.00 0.00 0.00 179.25 179.12 1xsf h ALA 103 N 0.62 1.23 0.00 0.00 0.00 -1.66 0.12 119.26 119.58 1xsf h ALA 103 Ca 0.03 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1xsf h ALA 103 Cb 0.68 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1xsf h ALA 103 CO 0.04 0.52 -0.14 0.00 0.00 0.00 0.00 179.25 179.67 1xsf h ARG 104 N 0.19 0.00 0.00 0.00 -0.00 -1.36 -3.23 114.38 109.99 1xsf h ARG 104 Ca 0.02 0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 59.43 1xsf h ARG 104 Cb 0.69 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.64 1xsf h ARG 104 CO 0.05 0.14 -1.72 0.00 0.00 0.00 0.00 179.97 178.44 1xsf n ALA 105 N -2.15 2.45 0.00 0.04 0.00 -0.20 -4.97 120.51 115.68 1xsf n ALA 105 Ca 0.01 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1xsf n ALA 105 Cb 0.45 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 1.32 0.69 3.74 0.00 0.00 0.20 -4.25 105.19 106.88 1xsf n GLY 106 Ca -0.07 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.97 2.45 0.00 4.61 0.00 0.01 -4.93 121.76 122.93 1xsf s ALA 107 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1xsf s ALA 107 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1xsf s ALA 107 CO 0.00 -1.47 0.16 0.54 0.00 0.00 0.00 175.76 174.99