#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1til n MET 1 N 0.00 0.00 0.02 -1.40 0.00 -1.26 -4.93 117.12 109.55 1til n MET 1 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 57.70 57.49 1til n MET 1 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 33.22 33.08 1til n MET 1 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1til h SER 2 N 0.00 0.41 -3.22 7.83 4.64 -1.93 -3.47 113.55 117.80 1til h SER 2 Ca 0.00 -0.88 -0.14 0.00 -0.47 0.00 0.00 61.79 60.30 1til h SER 2 Cb 0.00 -0.13 -0.28 0.00 -0.31 0.00 0.00 62.40 61.68 1til h SER 2 CO 0.00 1.54 -0.36 -0.22 -0.87 0.00 0.00 176.83 176.92 1til s LEU 3 N -7.67 0.03 -0.36 5.97 2.96 -1.26 -1.78 118.68 116.57 1til s LEU 3 Ca -0.18 0.78 -0.16 0.00 -0.22 0.00 0.00 54.13 54.35 1til s LEU 3 Cb 0.03 1.16 -0.00 0.00 0.50 0.00 0.00 46.19 47.88 1til s LEU 3 CO 0.79 -0.19 0.42 0.00 -1.32 0.00 0.00 176.35 176.05 1til s ALA 4 N 1.43 3.47 -0.38 5.97 0.00 0.21 -4.93 121.76 127.54 1til s ALA 4 Ca -0.09 -1.22 -0.11 0.00 0.00 0.00 0.00 51.96 50.53 1til s ALA 4 Cb -0.09 -2.92 0.03 0.00 0.00 0.00 0.00 23.12 20.13 1til s ALA 4 CO -0.11 -1.22 0.22 0.42 0.00 0.00 0.00 175.76 175.06 1til s ILE 5 N 2.15 4.66 -0.25 0.00 1.01 -1.26 -1.24 121.20 126.26 1til s ILE 5 Ca 0.14 -0.82 -0.05 0.00 0.00 0.00 0.00 60.65 59.91 1til s ILE 5 Cb -0.16 -3.60 -0.00 0.00 0.01 0.00 0.00 42.46 38.70 1til s ILE 5 CO 0.13 -0.24 0.02 -0.62 0.00 0.00 0.00 174.94 174.23 1til s ASP 6 N 1.57 4.75 -0.09 3.58 2.15 -0.23 -5.00 116.67 123.41 1til s ASP 6 Ca 0.02 -0.51 0.02 0.00 0.43 0.00 0.00 52.55 52.51 1til s ASP 6 Cb -0.19 -1.82 -0.02 0.00 -0.30 0.00 0.00 42.92 40.59 1til s ASP 6 CO 0.07 -0.09 -0.13 -0.76 -0.17 0.00 0.00 175.17 174.09 1til s LEU 7 N 1.50 2.77 -0.13 -1.34 1.43 -1.26 -0.46 118.68 121.19 1til s LEU 7 Ca 0.04 -0.24 -0.04 0.00 -1.03 0.00 0.00 54.13 52.87 1til s LEU 7 Cb -0.16 -1.59 0.06 0.00 0.03 0.00 0.00 46.19 44.53 1til s LEU 7 CO -0.00 0.27 0.16 -0.70 0.23 0.00 0.00 176.35 176.31 1til s GLU 8 N -0.28 0.07 -0.37 1.70 2.12 -0.49 -5.00 118.70 116.45 1til s GLU 8 Ca 0.02 0.34 -0.23 0.00 0.36 0.00 0.00 54.97 55.45 1til s GLU 8 Cb -0.13 -0.82 0.01 0.00 0.26 0.00 0.00 34.13 33.45 1til s GLU 8 CO 0.03 -0.47 0.79 0.08 -0.54 0.00 0.00 175.26 175.15 1til s VAL 9 N 2.26 4.71 -0.52 3.70 1.01 -1.26 -0.94 120.40 129.37 1til s VAL 9 Ca 0.04 0.86 -0.06 0.00 0.00 0.00 0.00 61.98 62.82 1til s VAL 9 Cb -0.14 -4.23 0.13 0.00 0.00 0.00 0.00 36.38 32.15 1til s VAL 9 CO -0.08 -0.47 0.36 -0.75 0.00 0.00 0.00 175.10 174.16 1til s LYS 10 N 3.15 2.43 -0.23 2.72 2.20 0.06 -4.88 119.74 125.19 1til s LYS 10 Ca 0.32 -2.04 -0.20 0.00 -0.36 0.00 0.00 55.97 53.68 1til s LYS 10 Cb -0.13 -3.80 0.03 0.00 -1.51 0.00 0.00 37.83 32.42 1til s LYS 10 CO 0.18 -1.16 0.34 1.04 -0.36 0.00 0.00 175.35 175.39 1til n GLN 11 N 4.36 -1.01 -0.74 4.03 6.02 -1.26 -1.55 117.38 127.23 1til n GLN 11 Ca -0.00 0.80 0.00 0.00 -0.01 0.00 0.00 57.00 57.78 1til n GLN 11 Cb 0.41 -1.11 0.00 0.00 1.02 0.00 0.00 30.24 30.56 1til n GLN 11 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1til n ASP 12 N 0.45 0.00 -4.35 1.08 5.75 -1.26 -5.01 116.55 113.21 1til n ASP 12 Ca -0.05 0.00 -0.32 0.00 -0.01 0.00 0.00 54.79 54.42 1til n ASP 12 Cb 0.40 -0.21 -0.15 0.00 -1.03 0.00 0.00 41.12 40.12 1til n ASP 12 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1til s VAL 13 N -3.52 2.42 -0.33 2.12 1.01 -0.60 -1.52 120.40 119.98 1til s VAL 13 Ca 0.00 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 60.95 1til s VAL 13 Cb 0.00 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.50 1til s VAL 13 CO 0.00 0.58 0.12 -0.22 0.00 0.00 0.00 175.10 175.58 1til s LEU 14 N -0.42 4.26 -0.38 3.92 2.96 0.53 -0.76 118.68 128.79 1til s LEU 14 Ca 0.04 -0.95 -0.20 0.00 -0.22 0.00 0.00 54.13 52.80 1til s LEU 14 Cb -0.12 -1.91 0.01 0.00 0.50 0.00 0.00 46.19 44.67 1til s LEU 14 CO 0.01 -0.29 0.61 -0.63 -1.32 0.00 0.00 176.35 174.73 1til s ILE 15 N 1.47 4.89 -0.32 6.68 1.01 -0.12 -0.91 121.20 133.91 1til s ILE 15 Ca 0.01 0.37 -0.07 0.00 0.00 0.00 0.00 60.65 60.95 1til s ILE 15 Cb -0.19 -4.10 0.02 0.00 0.01 0.00 0.00 42.46 38.20 1til s ILE 15 CO 0.04 -0.39 0.11 -0.69 0.00 0.00 0.00 174.94 174.00 1til s VAL 16 N 2.68 4.02 -0.19 2.92 1.01 0.48 -1.40 120.40 129.92 1til s VAL 16 Ca 0.23 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 1til s VAL 16 Cb -0.15 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1til s VAL 16 CO 0.16 -0.04 0.08 -0.13 0.00 0.00 0.00 175.10 175.17 1til s ARG 17 N 1.48 4.01 -0.03 2.72 0.52 0.40 -1.25 118.95 126.80 1til s ARG 17 Ca 0.01 -0.32 0.07 0.00 -0.52 0.00 0.00 55.73 54.97 1til s ARG 17 Cb -0.18 -3.27 -0.02 0.00 0.52 0.00 0.00 34.95 32.00 1til s ARG 17 CO 0.03 0.26 -0.24 -0.51 0.02 0.00 0.00 175.30 174.86 1til s LEU 18 N 0.43 2.17 -0.05 2.53 1.43 -1.04 -1.06 118.68 123.10 1til s LEU 18 Ca 0.04 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1til s LEU 18 Cb -0.12 -1.38 0.03 0.00 0.03 0.00 0.00 46.19 44.74 1til s LEU 18 CO 0.00 0.31 -0.01 -0.55 0.23 0.00 0.00 176.35 176.33 1til s SER 19 N -0.55 1.01 0.00 2.29 0.15 -0.37 -3.39 113.70 112.84 1til s SER 19 Ca 0.08 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.65 1til s SER 19 Cb -0.11 -0.37 0.00 0.00 -1.71 0.00 0.00 66.02 63.83 1til s SER 19 CO 0.00 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1til n GLY 20 N 4.46 0.07 3.28 9.45 0.00 0.16 0.67 105.19 123.29 1til n GLY 20 Ca -0.19 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 1til n GLY 20 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1til s GLU 21 N -0.01 2.47 -0.23 1.61 2.02 -0.73 0.20 118.70 124.03 1til s GLU 21 Ca 0.00 -0.90 -0.00 0.00 0.02 0.00 0.00 54.97 54.09 1til s GLU 21 Cb 0.00 -2.15 0.03 0.00 0.10 0.00 0.00 34.13 32.11 1til s GLU 21 CO 0.00 0.42 -0.10 -1.17 0.02 0.00 0.00 175.26 174.43 1til s LEU 22 N -0.26 2.98 0.00 1.80 2.96 0.12 -4.39 118.68 121.90 1til s LEU 22 Ca -0.01 -0.91 -0.03 0.00 -0.22 0.00 0.00 54.13 52.96 1til s LEU 22 Cb -0.13 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 44.97 1til s LEU 22 CO 0.03 -0.11 0.53 -0.90 -1.32 0.00 0.00 176.35 174.58 1til n ASP 23 N 4.61 -1.49 -0.37 3.68 5.68 -1.26 -2.50 116.55 124.91 1til n ASP 23 Ca -0.17 -2.88 0.01 0.00 -0.50 0.00 0.00 54.79 51.25 1til n ASP 23 Cb 0.47 2.72 0.07 0.00 -1.14 0.00 0.00 41.12 43.24 1til n ASP 23 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1til n HIS 24 N -0.58 0.13 0.05 2.11 -0.00 -1.26 0.43 115.22 116.09 1til n HIS 24 Ca -0.00 1.19 -0.12 0.00 -0.00 0.00 0.00 57.72 58.79 1til n HIS 24 Cb 0.59 -0.92 -0.06 0.00 -0.00 0.00 0.00 29.99 29.60 1til n HIS 24 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1til h HIS 25 N 0.00 -0.08 -0.03 1.57 -0.00 -1.99 -3.14 115.15 111.48 1til h HIS 25 Ca 0.38 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.70 1til h HIS 25 Cb 0.62 0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.07 1til h HIS 25 CO -0.82 -0.05 -0.18 0.00 -0.00 0.00 0.00 177.93 176.88 1til h THR 26 N -0.06 1.49 -1.12 6.26 1.03 -1.60 -3.31 112.91 115.61 1til h THR 26 Ca 0.01 -1.71 0.31 0.00 -0.01 0.00 0.00 66.41 65.02 1til h THR 26 Cb 0.07 2.52 -0.09 0.00 -1.07 0.00 0.00 68.15 69.59 1til h THR 26 CO -0.03 0.47 0.74 0.00 -0.01 0.00 0.00 175.52 176.69 1til h ALA 27 N 0.36 2.54 -0.05 0.00 0.00 -0.08 -0.21 119.26 121.83 1til h ALA 27 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1til h ALA 27 Cb 0.86 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1til h ALA 27 CO 0.04 -0.96 0.03 1.49 0.00 0.00 0.00 179.25 179.85 1til h GLU 28 N 0.25 0.07 -0.31 0.00 4.57 -1.63 -2.14 114.58 115.38 1til h GLU 28 Ca 0.61 -0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.84 1til h GLU 28 Cb 1.85 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 30.38 1til h GLU 28 CO -0.23 0.05 0.01 1.49 -1.18 0.00 0.00 179.01 179.15 1til h GLU 29 N 0.07 0.10 -0.46 1.92 4.57 -1.20 -2.17 114.58 117.40 1til h GLU 29 Ca 0.02 -0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.28 1til h GLU 29 Cb -0.00 -0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 28.49 1til h GLU 29 CO -0.00 0.07 0.00 1.25 -1.18 0.00 0.00 179.01 179.14 1til h LEU 30 N 0.10 -0.19 0.44 1.64 5.85 -1.29 -1.26 115.31 120.60 1til h LEU 30 Ca 0.15 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 1til h LEU 30 Cb 0.20 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1til h LEU 30 CO -0.24 -0.06 -0.27 -0.09 -0.34 0.00 0.00 178.44 177.44 1til h ARG 31 N 0.11 -0.65 -0.96 1.25 2.43 -0.94 -1.86 114.38 113.76 1til h ARG 31 Ca 0.23 0.04 0.18 0.00 -0.81 0.00 0.00 59.98 59.63 1til h ARG 31 Cb 0.34 0.15 -0.10 0.00 -0.42 0.00 0.00 29.97 29.93 1til h ARG 31 CO -0.38 -0.43 0.55 0.93 -1.51 0.00 0.00 179.97 179.12 1til h GLU 32 N -0.68 0.69 0.56 0.20 5.08 -0.99 -0.43 114.58 119.00 1til h GLU 32 Ca -0.05 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1til h GLU 32 Cb 0.56 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.66 1til h GLU 32 CO 0.05 0.45 -0.27 1.96 -1.00 0.00 0.00 179.01 180.21 1til h GLN 33 N 0.71 -0.72 -0.81 2.33 4.20 -0.98 -2.01 115.11 117.82 1til h GLN 33 Ca 0.55 0.05 0.11 0.00 0.06 0.00 0.00 58.65 59.41 1til h GLN 33 Cb 0.84 0.16 -0.08 0.00 0.30 0.00 0.00 27.48 28.71 1til h GLN 33 CO -0.39 -0.44 0.45 0.28 -0.67 0.00 0.00 178.83 178.06 1til h VAL 34 N -1.14 0.85 -0.51 -0.54 2.07 -1.13 -0.14 116.25 115.71 1til h VAL 34 Ca -0.08 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1til h VAL 34 Cb 0.61 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1til h VAL 34 CO 0.13 0.13 0.31 0.74 0.02 0.00 0.00 177.57 178.89 1til h THR 35 N 0.72 1.15 -0.88 2.57 2.02 -1.14 -0.27 112.91 117.08 1til h THR 35 Ca 0.41 -0.35 0.09 0.00 0.77 0.00 0.00 66.41 67.33 1til h THR 35 Cb 0.44 0.47 -0.07 0.00 -1.74 0.00 0.00 68.15 67.25 1til h THR 35 CO -0.28 0.16 0.53 -0.78 0.37 0.00 0.00 175.52 175.51 1til h ASP 36 N 0.68 0.78 -0.12 4.18 1.82 -0.30 -1.49 116.42 121.96 1til h ASP 36 Ca 0.18 0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.85 1til h ASP 36 Cb -0.01 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 39.88 1til h ASP 36 CO -0.03 0.45 0.02 0.58 -1.61 0.00 0.00 179.24 178.65 1til h VAL 37 N 0.89 1.22 -0.45 2.25 2.07 -0.16 -1.96 116.25 120.11 1til h VAL 37 Ca 0.41 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 67.24 1til h VAL 37 Cb 0.33 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1til h VAL 37 CO -0.23 0.20 0.30 -0.07 0.02 0.00 0.00 177.57 177.79 1til h LEU 38 N -0.03 0.51 0.23 2.57 3.38 -0.53 -0.24 115.31 121.19 1til h LEU 38 Ca 0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1til h LEU 38 Cb 0.30 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1til h LEU 38 CO 0.00 0.37 -0.11 -0.33 0.09 0.00 0.00 178.44 178.46 1til h GLU 39 N 0.60 -0.30 0.00 1.13 5.08 -1.20 -3.32 114.58 116.57 1til h GLU 39 Ca 0.17 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1til h GLU 39 Cb -0.05 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1til h GLU 39 CO -0.04 -0.06 0.00 -0.91 -1.00 0.00 0.00 179.01 177.00 1til h ASN 40 N -1.03 0.00 -2.23 1.42 2.35 -1.31 -3.44 115.58 111.34 1til h ASN 40 Ca -0.03 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.15 1til h ASN 40 Cb 0.37 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.61 1til h ASN 40 CO 0.05 0.00 -0.59 -0.13 -1.65 0.00 0.00 177.43 175.11 1til s ARG 41 N -3.58 1.86 -0.94 0.81 0.52 -0.11 -5.07 118.95 112.44 1til s ARG 41 Ca 0.01 -2.07 -0.01 0.00 -0.52 0.00 0.00 55.73 53.13 1til s ARG 41 Cb 0.09 -1.27 0.29 0.00 0.52 0.00 0.00 34.95 34.58 1til s ARG 41 CO 0.38 -0.16 1.22 0.00 0.02 0.00 0.00 175.30 176.76 1til n ALA 42 N -0.89 4.75 -2.10 2.13 0.00 -1.26 -4.67 120.51 118.47 1til n ALA 42 Ca -0.05 -4.78 -0.32 0.00 0.00 0.00 0.00 53.44 48.28 1til n ALA 42 Cb 0.67 -1.90 -0.05 0.00 0.00 0.00 0.00 19.45 18.16 1til n ALA 42 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1til s ILE 43 N -2.56 4.66 0.00 0.00 -1.09 -1.26 -4.71 121.20 116.24 1til s ILE 43 Ca 0.33 0.95 0.00 0.00 -2.23 0.00 0.00 60.65 59.71 1til s ILE 43 Cb 0.06 -3.64 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 1til s ILE 43 CO 0.05 -0.29 0.00 -1.14 -1.23 0.00 0.00 174.94 172.33 1til n ARG 44 N -0.65 2.59 -4.38 2.79 0.63 -0.57 -5.04 116.66 112.02 1til n ARG 44 Ca 0.04 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.77 1til n ARG 44 Cb 0.53 -0.82 -0.10 0.00 0.45 0.00 0.00 32.46 32.52 1til n ARG 44 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1til s HIS 45 N -1.65 1.84 -0.02 -0.14 3.76 -0.74 -3.78 115.29 114.57 1til s HIS 45 Ca 0.00 -0.59 0.00 0.00 -0.15 0.00 0.00 55.06 54.32 1til s HIS 45 Cb 0.00 -0.91 0.03 0.00 1.11 0.00 0.00 32.58 32.81 1til s HIS 45 CO 0.00 0.37 0.02 0.42 -0.85 0.00 0.00 174.74 174.70 1til s ILE 46 N -2.94 0.02 -0.14 0.60 1.01 -1.03 -0.34 121.20 118.37 1til s ILE 46 Ca 0.25 0.18 0.00 0.00 0.00 0.00 0.00 60.65 61.09 1til s ILE 46 Cb 0.00 -0.15 -0.01 0.00 0.01 0.00 0.00 42.46 42.32 1til s ILE 46 CO 0.09 0.11 -0.15 -0.69 0.00 0.00 0.00 174.94 174.30 1til s VAL 47 N 1.10 2.81 -0.28 2.92 1.01 -0.09 -0.97 120.40 126.91 1til s VAL 47 Ca -0.09 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 1til s VAL 47 Cb -0.13 -2.18 0.03 0.00 0.00 0.00 0.00 36.38 34.11 1til s VAL 47 CO -0.03 0.52 -0.00 -0.22 0.00 0.00 0.00 175.10 175.38 1til s LEU 48 N 0.53 3.67 -0.39 3.92 2.96 0.76 -0.39 118.68 129.73 1til s LEU 48 Ca -0.10 -1.02 -0.15 0.00 -0.22 0.00 0.00 54.13 52.64 1til s LEU 48 Cb -0.16 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 44.80 1til s LEU 48 CO 0.04 -0.21 0.34 0.21 -1.32 0.00 0.00 176.35 175.41 1til s ASN 49 N 1.33 6.14 -0.34 3.68 3.84 -0.38 -0.17 114.94 129.04 1til s ASN 49 Ca -0.02 -0.62 0.08 0.00 0.21 0.00 0.00 52.86 52.51 1til s ASN 49 Cb -0.18 -2.18 0.62 0.00 -0.55 0.00 0.00 41.25 38.95 1til s ASN 49 CO -0.01 -0.43 1.69 0.18 -2.79 0.00 0.00 177.10 175.74 1til n LEU 50 N 5.32 5.41 -0.06 3.21 4.77 -0.36 -2.48 117.00 132.81 1til n LEU 50 Ca -0.10 -3.52 -0.11 0.00 -0.03 0.00 0.00 56.01 52.25 1til n LEU 50 Cb 0.48 -0.72 -0.05 0.00 -2.33 0.00 0.00 43.42 40.80 1til n LEU 50 CO 0.42 1.03 0.79 1.23 -1.33 0.00 0.00 177.39 179.53 1til h GLY 51 N 1.45 0.33 -2.67 -0.72 0.00 -1.69 -2.97 103.07 96.80 1til h GLY 51 Ca 0.35 -0.22 -0.17 0.00 0.00 0.00 0.00 47.33 47.29 1til h GLY 51 CO 0.69 0.20 0.22 -1.06 0.00 0.00 0.00 176.54 176.59 1til n GLN 52 N -4.76 1.45 -3.65 4.80 1.13 -1.22 -4.85 117.38 110.27 1til n GLN 52 Ca -0.04 -1.03 -0.36 0.00 -1.94 0.00 0.00 57.00 53.62 1til n GLN 52 Cb 0.18 -1.41 -0.09 0.00 0.11 0.00 0.00 30.24 29.03 1til n GLN 52 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1til s LEU 53 N -1.13 4.15 -0.17 1.08 2.96 -1.12 0.40 118.68 124.84 1til s LEU 53 Ca 0.20 0.19 0.07 0.00 -0.22 0.00 0.00 54.13 54.36 1til s LEU 53 Cb 0.16 -2.14 -0.22 0.00 0.50 0.00 0.00 46.19 44.49 1til s LEU 53 CO 0.04 0.09 0.14 0.41 -1.32 0.00 0.00 176.35 175.71 1til n THR 54 N 4.04 1.55 -3.82 3.68 -1.04 0.54 -4.88 114.28 114.35 1til n THR 54 Ca -0.15 -0.71 -0.12 0.00 -2.04 0.00 0.00 64.05 61.03 1til n THR 54 Cb 0.52 -1.15 -0.09 0.00 -1.82 0.00 0.00 70.33 67.78 1til n THR 54 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1til s PHE 55 N -2.53 -0.06 -0.24 -1.42 5.36 -1.04 -4.99 117.98 113.05 1til s PHE 55 Ca -0.20 0.06 -0.20 0.00 -0.96 0.00 0.00 56.93 55.64 1til s PHE 55 Cb 0.07 0.02 0.07 0.00 -0.34 0.00 0.00 43.02 42.84 1til s PHE 55 CO 0.74 -0.32 0.63 1.41 -1.46 0.00 0.00 175.22 176.22 1til s MET 56 N -1.30 0.71 0.00 10.12 -2.45 -1.25 0.14 119.30 125.27 1til s MET 56 Ca -0.14 0.97 0.00 0.00 -1.25 0.00 0.00 55.69 55.27 1til s MET 56 Cb -0.06 0.28 0.00 0.00 1.25 0.00 0.00 34.83 36.29 1til s MET 56 CO 0.03 -0.11 0.00 -0.40 1.05 0.00 0.00 175.02 175.59 1til n ASP 57 N 3.25 1.94 -0.24 1.11 5.68 -1.04 -4.97 116.55 122.27 1til n ASP 57 Ca -0.16 -0.72 0.17 0.00 -0.50 0.00 0.00 54.79 53.58 1til n ASP 57 Cb 0.56 0.00 0.48 0.00 -1.14 0.00 0.00 41.12 41.02 1til n ASP 57 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1til h ALA 58 N 0.97 2.10 0.00 2.12 0.00 -2.01 0.26 119.26 122.70 1til h ALA 58 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1til h ALA 58 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1til h ALA 58 CO 0.00 -0.38 0.07 0.77 0.00 0.00 0.00 179.25 179.71 1til h SER 59 N 0.47 0.00 0.10 0.00 0.02 -1.92 0.29 113.55 112.52 1til h SER 59 Ca 0.46 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.41 1til h SER 59 Cb 1.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1til h SER 59 CO -0.19 0.00 -0.05 1.23 -1.14 0.00 0.00 176.83 176.68 1til h GLY 60 N 0.00 -0.15 0.09 -3.77 0.00 -0.72 -2.08 103.07 96.45 1til h GLY 60 Ca 0.00 0.05 0.12 0.00 0.00 0.00 0.00 47.33 47.50 1til h GLY 60 CO 0.00 -0.05 0.06 1.41 0.00 0.00 0.00 176.54 177.96 1til h LEU 61 N -0.91 -0.13 -0.86 3.11 3.38 -1.27 0.27 115.31 118.89 1til h LEU 61 Ca -0.01 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1til h LEU 61 Cb 0.53 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1til h LEU 61 CO 0.02 -0.05 0.55 1.23 0.09 0.00 0.00 178.44 180.28 1til h GLY 62 N 0.18 1.23 1.39 0.83 0.00 -1.04 -1.11 103.07 104.55 1til h GLY 62 Ca 0.31 -0.48 -0.22 0.00 0.00 0.00 0.00 47.33 46.94 1til h GLY 62 CO -0.45 0.47 -0.83 -0.24 0.00 0.00 0.00 176.54 175.49 1til h VAL 63 N 1.18 1.33 0.21 4.60 3.04 -0.56 -2.48 116.25 123.57 1til h VAL 63 Ca 0.31 -2.16 -0.01 0.00 -1.01 0.00 0.00 66.70 63.84 1til h VAL 63 Cb -0.10 2.16 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 1til h VAL 63 CO -0.06 0.66 -0.10 0.40 -1.01 0.00 0.00 177.57 177.46 1til h ILE 64 N 0.38 0.79 -0.51 3.17 2.04 -0.84 -2.67 117.51 119.87 1til h ILE 64 Ca -0.06 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.90 1til h ILE 64 Cb 1.45 0.79 -0.09 0.00 -0.74 0.00 0.00 36.82 38.24 1til h ILE 64 CO 0.16 0.00 -0.03 0.25 0.00 0.00 0.00 178.15 178.52 1til h LEU 65 N -0.28 -0.28 -1.05 1.44 5.85 -1.20 -0.91 115.31 118.87 1til h LEU 65 Ca -0.03 0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.88 1til h LEU 65 Cb 0.22 0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 1til h LEU 65 CO 0.05 -0.10 0.63 1.23 -0.34 0.00 0.00 178.44 179.91 1til h GLY 66 N 0.08 1.45 1.09 3.75 0.00 -1.27 -1.33 103.07 106.84 1til h GLY 66 Ca 0.25 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 47.03 1til h GLY 66 CO -0.45 0.35 0.05 3.21 0.00 0.00 0.00 176.54 179.69 1til h ARG 67 N 1.15 1.10 -0.24 4.80 -0.00 -0.91 -1.30 114.38 118.99 1til h ARG 67 Ca 0.41 -0.33 0.05 0.00 -0.50 0.00 0.00 59.98 59.62 1til h ARG 67 Cb 0.14 -0.11 -0.05 0.00 0.00 0.00 0.00 29.97 29.95 1til h ARG 67 CO -0.15 1.04 -0.09 -0.92 0.00 0.00 0.00 179.97 179.85 1til h TYR 68 N 1.01 -0.21 0.51 3.04 3.20 -0.15 -0.40 116.97 123.97 1til h TYR 68 Ca 0.19 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 1til h TYR 68 Cb 0.51 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 1til h TYR 68 CO 0.04 -0.14 -0.42 -0.22 -1.64 0.00 0.00 178.16 175.78 1til h LYS 69 N -0.05 -0.87 -1.00 1.82 3.64 -0.99 0.47 116.57 119.60 1til h LYS 69 Ca 0.12 0.06 0.18 0.00 -1.27 0.00 0.00 60.65 59.74 1til h LYS 69 Cb 0.23 0.20 -0.17 0.00 -0.41 0.00 0.00 32.23 32.07 1til h LYS 69 CO -0.27 -0.58 -0.32 1.96 -2.27 0.00 0.00 179.45 177.97 1til h GLN 70 N -0.90 -0.00 -0.30 1.90 4.20 -0.76 0.22 115.11 119.48 1til h GLN 70 Ca -0.07 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.46 1til h GLN 70 Cb 0.76 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.53 1til h GLN 70 CO -0.00 -0.00 -0.53 0.82 -0.67 0.00 0.00 178.83 178.45 1til h ILE 71 N -0.00 1.27 -0.62 2.54 1.08 -0.95 -3.18 117.51 117.65 1til h ILE 71 Ca 0.41 -1.71 -0.01 0.00 -0.39 0.00 0.00 64.86 63.16 1til h ILE 71 Cb 0.66 1.60 -0.03 0.00 -3.07 0.00 0.00 36.82 35.98 1til h ILE 71 CO -1.01 0.56 0.35 0.11 -0.69 0.00 0.00 178.15 177.48 1til h LYS 72 N 0.67 0.85 0.00 2.37 1.79 0.91 -1.32 116.57 121.84 1til h LYS 72 Ca 0.02 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1til h LYS 72 Cb 1.13 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 1til h LYS 72 CO 0.12 0.63 0.00 0.09 -1.08 0.00 0.00 179.45 179.21 1til n ASN 73 N -4.58 0.00 -0.10 0.86 4.13 0.60 -0.80 115.26 115.37 1til n ASN 73 Ca 0.04 -0.32 0.01 0.00 1.68 0.00 0.00 54.58 56.00 1til n ASN 73 Cb 0.07 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.33 1til n ASN 73 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1til n VAL 74 N -0.59 0.43 -1.08 2.41 0.31 -0.57 -4.98 118.33 114.26 1til n VAL 74 Ca 0.01 -0.47 -0.03 0.00 -0.01 0.00 0.00 64.34 63.84 1til n VAL 74 Cb 0.00 0.67 -0.01 0.00 -0.91 0.00 0.00 33.84 33.59 1til n VAL 74 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1til n GLY 75 N -0.26 0.48 3.97 2.92 0.00 0.02 -4.99 105.19 107.32 1til n GLY 75 Ca 0.02 -0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 1til n GLY 75 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1til s GLY 76 N -2.21 1.71 0.37 -0.02 0.00 -0.78 -5.02 107.32 101.37 1til s GLY 76 Ca 0.00 -1.54 0.08 0.00 0.00 0.00 0.00 44.72 43.26 1til s GLY 76 CO 0.00 -1.43 0.32 1.20 0.00 0.00 0.00 173.10 173.18 1til s GLN 77 N -4.19 2.60 -0.05 2.90 -0.21 -1.25 -3.82 119.66 115.65 1til s GLN 77 Ca 0.47 -1.44 -0.01 0.00 0.02 0.00 0.00 55.36 54.40 1til s GLN 77 Cb -0.09 -2.40 0.03 0.00 1.00 0.00 0.00 33.01 31.55 1til s GLN 77 CO 0.31 -0.04 0.01 1.41 -2.12 0.00 0.00 175.29 174.85 1til s MET 78 N -4.04 0.39 -0.10 2.91 -2.45 -1.26 -2.48 119.30 112.26 1til s MET 78 Ca 0.44 0.12 0.03 0.00 -1.25 0.00 0.00 55.69 55.03 1til s MET 78 Cb -0.04 -0.68 -0.01 0.00 1.25 0.00 0.00 34.83 35.35 1til s MET 78 CO 0.27 -0.22 -0.21 0.08 1.05 0.00 0.00 175.02 175.99 1til s VAL 79 N 1.51 2.35 -0.15 10.11 1.01 -0.14 -3.96 120.40 131.13 1til s VAL 79 Ca -0.03 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 1til s VAL 79 Cb -0.13 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1til s VAL 79 CO -0.03 0.55 -0.01 -0.69 0.00 0.00 0.00 175.10 174.93 1til s VAL 80 N 0.29 4.19 0.09 2.92 1.01 -0.21 -0.17 120.40 128.52 1til s VAL 80 Ca -0.15 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1til s VAL 80 Cb -0.17 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1til s VAL 80 CO 0.08 0.50 -0.07 0.00 0.00 0.00 0.00 175.10 175.60 1til n ALA 82 N 0.27 -0.93 -2.60 0.00 0.00 0.19 -1.22 120.51 116.22 1til n ALA 82 Ca -0.14 0.11 -0.43 0.00 0.00 0.00 0.00 53.44 52.98 1til n ALA 82 Cb 0.59 -2.54 -0.03 0.00 0.00 0.00 0.00 19.45 17.47 1til n ALA 82 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1til s VAL 83 N -3.19 4.37 0.57 0.00 1.01 -1.26 -2.93 120.40 118.97 1til s VAL 83 Ca 0.18 1.17 -0.21 0.00 0.00 0.00 0.00 61.98 63.13 1til s VAL 83 Cb -0.08 -4.50 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 1til s VAL 83 CO 0.41 -0.83 1.33 -0.94 0.00 0.00 0.00 175.10 175.07 1til s SER 84 N 2.22 5.12 0.55 3.32 1.04 -1.26 -4.72 113.70 119.97 1til s SER 84 Ca 0.43 2.69 0.29 0.00 0.48 0.00 0.00 55.95 59.84 1til s SER 84 Cb -0.09 -2.63 1.46 0.00 0.10 0.00 0.00 66.02 64.86 1til s SER 84 CO 0.26 -1.67 1.93 -0.65 0.98 0.00 0.00 173.24 174.10 1til h PRO 85 N 1.20 0.00 0.12 4.02 0.11 -1.98 -0.14 132.00 135.32 1til h PRO 85 Ca -0.51 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1til h PRO 85 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1til h PRO 85 CO 0.56 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 178.30 1til h ALA 86 N 1.59 -0.16 -0.32 -0.75 0.00 -2.00 -1.38 119.26 116.24 1til h ALA 86 Ca 0.29 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 1til h ALA 86 Cb 1.28 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1til h ALA 86 CO -0.00 -0.55 -0.32 0.28 0.00 0.00 0.00 179.25 178.66 1til h VAL 87 N -0.23 1.28 -0.06 0.00 2.07 -1.42 -2.69 116.25 115.19 1til h VAL 87 Ca -0.02 -1.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.04 1til h VAL 87 Cb 0.19 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1til h VAL 87 CO 0.03 0.47 -0.02 0.50 0.02 0.00 0.00 177.57 178.57 1til h LYS 88 N 0.59 0.08 0.00 1.57 3.64 -1.07 -0.84 116.57 120.54 1til h LYS 88 Ca 0.07 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1til h LYS 88 Cb 0.83 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 1til h LYS 88 CO 0.07 0.11 -0.25 -0.09 -2.27 0.00 0.00 179.45 177.02 1til h ARG 89 N 0.08 0.00 0.15 1.90 2.43 -0.90 -1.44 114.38 116.60 1til h ARG 89 Ca 0.02 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.90 1til h ARG 89 Cb 0.09 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1til h ARG 89 CO 0.00 0.25 -1.34 -0.07 -1.51 0.00 0.00 179.97 177.31 1til h LEU 90 N 0.00 0.50 -0.43 3.80 3.38 -1.19 -3.21 115.31 118.16 1til h LEU 90 Ca -0.00 -0.55 -0.05 0.00 0.09 0.00 0.00 57.88 57.37 1til h LEU 90 Cb 0.57 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1til h LEU 90 CO 0.03 1.44 0.08 -0.26 0.09 0.00 0.00 178.44 179.83 1til h PHE 91 N 0.09 0.74 0.00 1.13 0.05 -1.19 -2.00 116.94 115.76 1til h PHE 91 Ca -0.17 -0.10 0.00 0.00 3.82 0.00 0.00 57.97 61.52 1til h PHE 91 Cb 2.02 -0.21 0.00 0.00 2.00 0.00 0.00 35.95 39.76 1til h PHE 91 CO 0.08 0.71 0.00 -0.25 -0.18 0.00 0.00 178.31 178.66 1til n ASP 92 N -4.51 0.00 -0.00 2.17 8.00 -0.56 -3.10 116.55 118.55 1til n ASP 92 Ca 0.00 -0.26 0.15 0.00 0.71 0.00 0.00 54.79 55.39 1til n ASP 92 Cb 0.23 -0.06 0.72 0.00 -0.02 0.00 0.00 41.12 41.98 1til n ASP 92 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1til n MET 93 N -1.06 0.32 -3.64 -1.24 1.56 -0.75 -4.81 117.12 107.50 1til n MET 93 Ca 0.08 -0.00 -0.05 0.00 -0.27 0.00 0.00 57.70 57.46 1til n MET 93 Cb 0.05 -1.50 -0.07 0.00 2.15 0.00 0.00 33.22 33.85 1til n MET 93 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1til s SER 94 N -2.69 -0.61 0.57 6.12 0.15 -1.18 -5.03 113.70 111.04 1til s SER 94 Ca 0.25 1.00 0.33 0.00 0.70 0.00 0.00 55.95 58.23 1til s SER 94 Cb 0.20 1.21 1.44 0.00 -1.71 0.00 0.00 66.02 67.16 1til s SER 94 CO 0.48 -0.16 1.76 1.23 1.20 0.00 0.00 173.24 177.75 1til h GLY 95 N 5.95 0.00 -0.45 9.45 0.00 -1.87 -1.72 103.07 114.43 1til h GLY 95 Ca -0.29 0.00 0.28 0.00 0.00 0.00 0.00 47.33 47.33 1til h GLY 95 CO 0.17 0.00 0.47 -2.00 0.00 0.00 0.00 176.54 175.17 1til h LEU 96 N 0.00 0.37 0.00 3.11 5.85 -1.96 0.12 115.31 122.81 1til h LEU 96 Ca 0.44 0.19 0.00 0.00 0.84 0.00 0.00 57.88 59.35 1til h LEU 96 Cb 2.01 0.17 0.00 0.00 0.37 0.00 0.00 40.66 43.21 1til h LEU 96 CO -0.00 -0.11 0.00 0.49 -0.34 0.00 0.00 178.44 178.47 1til n PHE 97 N -5.09 0.00 0.85 1.25 3.01 -0.65 -3.10 117.46 113.74 1til n PHE 97 Ca 0.28 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.84 1til n PHE 97 Cb 0.86 -0.07 0.50 0.00 -0.01 0.00 0.00 39.48 40.76 1til n PHE 97 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1til n LYS 98 N -1.07 0.11 -0.01 -1.08 5.02 0.42 -2.60 118.16 118.95 1til n LYS 98 Ca 0.19 0.11 0.10 0.00 -2.02 0.00 0.00 58.31 56.69 1til n LYS 98 Cb 0.12 -1.50 0.56 0.00 -0.02 0.00 0.00 35.03 34.19 1til n LYS 98 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1til n ILE 99 N -1.43 0.03 -3.79 -0.18 -5.35 -1.18 -4.77 119.36 102.70 1til n ILE 99 Ca 0.07 -0.06 -0.36 0.00 -0.27 0.00 0.00 62.75 62.13 1til n ILE 99 Cb 0.23 -0.19 -0.12 0.00 -1.74 0.00 0.00 39.64 37.82 1til n ILE 99 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1til s ILE 100 N -1.97 4.31 0.12 7.28 1.01 -1.07 -5.07 121.20 125.81 1til s ILE 100 Ca 0.30 -0.17 -0.31 0.00 0.00 0.00 0.00 60.65 60.47 1til s ILE 100 Cb 0.14 -3.01 -0.09 0.00 0.01 0.00 0.00 42.46 39.51 1til s ILE 100 CO 0.24 0.35 1.59 -0.60 0.00 0.00 0.00 174.94 176.52 1til s ARG 101 N 1.53 4.21 -0.04 2.79 6.06 -1.25 -4.95 118.95 127.30 1til s ARG 101 Ca 0.06 2.33 0.04 0.00 -2.50 0.00 0.00 55.73 55.66 1til s ARG 101 Cb -0.15 -3.34 -0.00 0.00 0.06 0.00 0.00 34.95 31.52 1til s ARG 101 CO 0.03 -0.65 -0.16 0.08 -2.50 0.00 0.00 175.30 172.10 1til s VAL 102 N 1.74 1.36 0.18 7.11 1.01 -1.26 -1.04 120.40 129.50 1til s VAL 102 Ca 0.71 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 62.06 1til s VAL 102 Cb -0.42 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 1til s VAL 102 CO 0.31 0.39 -0.10 -1.61 0.00 0.00 0.00 175.10 174.10 1til s GLU 103 N -0.00 1.20 0.05 2.72 0.41 0.15 -4.94 118.70 118.29 1til s GLU 103 Ca -0.02 -1.54 -0.20 0.00 -0.41 0.00 0.00 54.97 52.80 1til s GLU 103 Cb -0.11 -0.78 -0.09 0.00 -1.78 0.00 0.00 34.13 31.37 1til s GLU 103 CO 0.02 0.08 1.31 0.00 -0.49 0.00 0.00 175.26 176.18 1til h ALA 104 N 2.65 -0.90 -4.40 5.21 0.00 -1.95 -3.07 119.26 116.80 1til h ALA 104 Ca -0.37 -0.09 -0.36 0.00 0.00 0.00 0.00 54.91 54.09 1til h ALA 104 Cb 1.21 0.60 -0.09 0.00 0.00 0.00 0.00 17.79 19.50 1til h ALA 104 CO 0.63 -0.94 -0.34 -0.40 0.00 0.00 0.00 179.25 178.20 1til n ASP 105 N -4.10 -0.14 -0.27 0.00 5.68 -1.26 -0.64 116.55 115.83 1til n ASP 105 Ca -0.06 -2.58 -0.05 0.00 -0.50 0.00 0.00 54.79 51.60 1til n ASP 105 Cb 0.25 1.10 0.06 0.00 -1.14 0.00 0.00 41.12 41.39 1til n ASP 105 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1til h GLU 106 N 0.00 0.99 -0.63 0.11 4.81 -1.91 -1.02 114.58 116.93 1til h GLU 106 Ca -0.18 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 58.98 1til h GLU 106 Cb 0.87 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.00 1til h GLU 106 CO 0.27 0.69 0.40 -0.56 -0.73 0.00 0.00 179.01 179.09 1til h GLN 107 N 1.00 0.77 -0.22 1.92 3.07 -1.98 -0.42 115.11 119.25 1til h GLN 107 Ca 0.26 -0.05 -0.07 0.00 0.09 0.00 0.00 58.65 58.88 1til h GLN 107 Cb -0.05 -0.17 -0.01 0.00 0.08 0.00 0.00 27.48 27.33 1til h GLN 107 CO -0.05 0.51 -0.14 0.74 0.09 0.00 0.00 178.83 179.98 1til h PHE 108 N 0.80 0.57 -0.38 0.06 -1.00 -1.89 -0.76 116.94 114.34 1til h PHE 108 Ca 0.25 -0.15 0.06 0.00 2.81 0.00 0.00 57.97 60.94 1til h PHE 108 Cb -0.02 -0.13 -0.06 0.00 3.61 0.00 0.00 35.95 39.36 1til h PHE 108 CO -0.04 0.79 0.04 0.00 -1.61 0.00 0.00 178.31 177.48 1til h ALA 109 N 0.69 0.37 0.00 2.45 0.00 -0.94 0.86 119.26 122.69 1til h ALA 109 Ca 0.05 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1til h ALA 109 Cb 0.66 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1til h ALA 109 CO 0.04 -0.36 -0.22 -0.07 0.00 0.00 0.00 179.25 178.64 1til h LEU 110 N 0.15 0.00 -0.39 0.00 3.38 -1.00 -2.45 115.31 115.00 1til h LEU 110 Ca 0.18 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.98 1til h LEU 110 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1til h LEU 110 CO -0.27 0.22 -0.52 -0.61 0.09 0.00 0.00 178.44 177.34 1til h GLN 111 N 0.00 0.79 0.00 1.13 4.15 0.64 0.16 115.11 121.98 1til h GLN 111 Ca -0.00 -0.48 -0.01 0.00 0.77 0.00 0.00 58.65 58.93 1til h GLN 111 Cb 0.46 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.20 1til h GLN 111 CO 0.03 1.11 -0.03 0.00 -1.93 0.00 0.00 178.83 178.01 1til h ALA 112 N 0.79 1.94 -0.03 3.38 0.00 -0.60 0.88 119.26 125.61 1til h ALA 112 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1til h ALA 112 Cb 1.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1til h ALA 112 CO 0.11 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.68 1til n LEU 113 N -4.48 1.24 -0.01 0.00 4.77 -1.03 -4.91 117.00 112.57 1til n LEU 113 Ca -0.03 -0.43 -0.00 0.00 -0.03 0.00 0.00 56.01 55.52 1til n LEU 113 Cb 0.12 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1til n LEU 113 CO 0.34 0.22 -0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1til n GLY 114 N 1.13 0.47 0.08 -0.72 0.00 0.30 -4.93 105.19 101.52 1til n GLY 114 Ca 0.19 -0.17 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 1til n GLY 114 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1til n VAL 115 N -2.95 1.44 1.57 1.61 0.31 0.46 -4.99 118.33 115.78 1til n VAL 115 Ca -0.00 0.19 0.13 0.00 -0.01 0.00 0.00 64.34 64.65 1til n VAL 115 Cb 0.03 -2.38 0.75 0.00 -0.91 0.00 0.00 33.84 31.33 1til n VAL 115 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51