#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dit n SER 2 N 0.00 1.95 -4.63 1.61 2.88 -1.26 -4.87 113.62 109.30 2dit n SER 2 Ca 0.00 0.30 -0.43 0.00 -1.33 0.00 0.00 58.87 57.41 2dit n SER 2 Cb 0.00 -0.85 -0.03 0.00 -0.75 0.00 0.00 64.21 62.59 2dit n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dit s SER 3 N -7.03 6.41 -0.46 -3.46 0.01 -1.26 -4.91 113.70 103.00 2dit s SER 3 Ca -0.31 1.75 0.07 0.00 1.31 0.00 0.00 55.95 58.77 2dit s SER 3 Cb 0.09 -2.53 0.40 0.00 0.21 0.00 0.00 66.02 64.19 2dit s SER 3 CO 0.60 -1.21 1.03 0.61 0.41 0.00 0.00 173.24 174.67 2dit n GLY 4 N 4.58 5.24 3.60 3.44 0.00 -1.26 -5.05 105.19 115.74 2dit n GLY 4 Ca 0.19 -2.54 -0.43 0.00 0.00 0.00 0.00 46.02 43.24 2dit n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dit s SER 5 N -3.41 5.98 -0.05 1.61 0.01 -1.26 -4.89 113.70 111.68 2dit s SER 5 Ca 0.45 1.26 -0.15 0.00 1.31 0.00 0.00 55.95 58.82 2dit s SER 5 Cb 0.37 -2.53 -0.09 0.00 0.21 0.00 0.00 66.02 63.98 2dit s SER 5 CO -0.14 -1.65 0.60 -1.28 0.41 0.00 0.00 173.24 171.18 2dit h SER 6 N 12.46 -0.31 -4.96 2.44 0.87 -2.04 -3.50 113.55 118.51 2dit h SER 6 Ca -0.33 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2dit h SER 6 Cb 1.16 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2dit h SER 6 CO 1.04 0.18 0.00 0.61 -0.53 0.00 0.00 176.83 178.13 2dit n GLY 7 N 0.69 -3.56 3.64 5.77 0.00 -1.26 -4.98 105.19 105.48 2dit n GLY 7 Ca -0.06 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 2dit n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dit n GLY 8 N -0.03 0.06 3.57 -0.02 0.00 -1.26 -4.85 105.19 102.66 2dit n GLY 8 Ca 0.00 0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 2dit n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dit s PRO 9 N -1.98 2.92 0.30 1.61 0.04 -1.26 -4.94 135.00 131.70 2dit s PRO 9 Ca 0.61 0.87 -0.21 0.00 0.04 0.00 0.00 61.00 62.31 2dit s PRO 9 Cb -0.57 -4.30 -0.14 0.00 0.04 0.00 0.00 34.50 29.53 2dit s PRO 9 CO 0.58 -2.37 0.20 0.45 0.04 0.00 0.00 177.00 175.90 2dit n SER 10 N 11.66 -2.12 -4.33 6.66 2.88 -1.26 -4.91 113.62 122.20 2dit n SER 10 Ca 0.21 0.82 -0.29 0.00 -1.33 0.00 0.00 58.87 58.28 2dit n SER 10 Cb 0.50 -0.81 0.21 0.00 -0.75 0.00 0.00 64.21 63.36 2dit n SER 10 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2dit s ARG 11 N -0.90 -0.42 -0.23 -1.46 3.00 -1.26 -5.00 118.95 112.68 2dit s ARG 11 Ca 0.55 0.31 -0.16 0.00 0.00 0.00 0.00 55.73 56.43 2dit s ARG 11 Cb -0.66 -1.66 -0.04 0.00 0.00 0.00 0.00 34.95 32.60 2dit s ARG 11 CO 0.54 -3.26 0.41 -1.64 0.00 0.00 0.00 175.30 171.35 2dit s MET 12 N -5.07 4.12 -0.71 3.54 -1.94 -1.26 -5.03 119.30 112.94 2dit s MET 12 Ca 0.68 0.17 -0.11 0.00 -1.71 0.00 0.00 55.69 54.73 2dit s MET 12 Cb -0.16 -3.58 0.18 0.00 2.01 0.00 0.00 34.83 33.28 2dit s MET 12 CO 0.58 -0.14 0.61 1.03 -0.01 0.00 0.00 175.02 177.08 2dit s ARG 13 N 1.63 3.14 0.00 2.03 0.52 -1.26 -4.94 118.95 120.08 2dit s ARG 13 Ca 0.18 -2.35 -0.04 0.00 -0.52 0.00 0.00 55.73 53.00 2dit s ARG 13 Cb -0.15 -4.17 -0.18 0.00 0.52 0.00 0.00 34.95 30.97 2dit s ARG 13 CO 0.09 -1.25 2.99 0.72 0.02 0.00 0.00 175.30 177.87 2dit n HIS 14 N 4.04 0.00 -0.11 -0.53 8.25 -1.26 -4.10 115.22 121.50 2dit n HIS 14 Ca 0.07 -1.27 -0.22 0.00 -0.26 0.00 0.00 57.72 56.04 2dit n HIS 14 Cb 0.43 -1.23 -0.09 0.00 1.12 0.00 0.00 29.99 30.22 2dit n HIS 14 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2dit n GLU 15 N 2.25 0.56 -1.54 -0.41 4.07 -1.26 -4.83 120.64 119.48 2dit n GLU 15 Ca 0.29 0.41 -0.33 0.00 -0.06 0.00 0.00 57.16 57.47 2dit n GLU 15 Cb 0.75 -1.61 -0.06 0.00 -0.06 0.00 0.00 31.44 30.46 2dit n GLU 15 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2dit n ARG 16 N -4.38 0.77 -3.72 5.31 5.12 -1.26 -4.88 116.66 113.62 2dit n ARG 16 Ca -0.37 -0.14 -0.15 0.00 -1.93 0.00 0.00 57.85 55.26 2dit n ARG 16 Cb 0.71 -3.12 -0.15 0.00 -1.16 0.00 0.00 32.46 28.74 2dit n ARG 16 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2dit s VAL 17 N 11.78 -0.11 0.10 1.55 1.01 -1.26 0.10 120.40 133.56 2dit s VAL 17 Ca 1.04 0.25 0.00 0.00 0.00 0.00 0.00 61.98 63.28 2dit s VAL 17 Cb -0.35 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 2dit s VAL 17 CO 0.28 0.11 0.25 0.68 0.00 0.00 0.00 175.10 176.41 2dit s VAL 18 N 1.54 5.35 0.09 2.92 -7.23 -0.72 -0.16 120.40 122.19 2dit s VAL 18 Ca -0.05 -0.43 0.07 0.00 -1.81 0.00 0.00 61.98 59.76 2dit s VAL 18 Cb -0.12 -3.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.12 2dit s VAL 18 CO -0.05 0.05 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.06 2dit s ILE 19 N -1.60 3.34 -0.00 -0.62 -1.09 0.75 -2.11 121.20 119.86 2dit s ILE 19 Ca 0.36 -1.23 0.04 0.00 -2.23 0.00 0.00 60.65 57.58 2dit s ILE 19 Cb -0.12 -2.54 -0.01 0.00 -1.58 0.00 0.00 42.46 38.21 2dit s ILE 19 CO 0.28 0.15 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.39 2dit s ILE 20 N -1.18 0.93 0.19 2.92 -1.09 -1.15 -2.34 121.20 119.49 2dit s ILE 20 Ca 0.20 -0.54 0.09 0.00 -2.23 0.00 0.00 60.65 58.17 2dit s ILE 20 Cb -0.11 -0.79 -0.04 0.00 -1.58 0.00 0.00 42.46 39.94 2dit s ILE 20 CO 0.12 0.23 -0.18 -0.54 -1.23 0.00 0.00 174.94 173.34 2dit s LYS 21 N -0.36 1.36 -1.38 2.79 3.01 -1.16 -2.97 119.74 121.04 2dit s LYS 21 Ca 0.04 -1.50 -0.03 0.00 -1.01 0.00 0.00 55.97 53.48 2dit s LYS 21 Cb -0.05 -1.41 0.02 0.00 -1.01 0.00 0.00 37.83 35.38 2dit s LYS 21 CO -0.00 0.28 0.67 -1.71 0.51 0.00 0.00 175.35 175.09 2dit n ASN 22 N 0.05 -1.52 -0.02 2.83 5.15 -0.74 -3.42 115.26 117.59 2dit n ASN 22 Ca -0.11 -0.87 -0.02 0.00 -0.60 0.00 0.00 54.58 52.98 2dit n ASN 22 Cb 0.58 -3.73 -0.04 0.00 -0.53 0.00 0.00 39.78 36.06 2dit n ASN 22 CO 0.00 0.00 0.00 1.15 1.40 0.00 0.00 177.26 179.81 2dit n MET 23 N -4.37 2.92 -3.16 1.20 0.00 -1.25 -4.35 117.12 108.11 2dit n MET 23 Ca -0.24 -0.01 -0.10 0.00 0.00 0.00 0.00 57.70 57.35 2dit n MET 23 Cb 0.65 -1.14 -0.03 0.00 0.00 0.00 0.00 33.22 32.71 2dit n MET 23 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 175.97 177.94 2dit n PHE 24 N -2.16 -0.96 -3.73 3.17 1.16 -1.26 -4.22 117.46 109.45 2dit n PHE 24 Ca -0.08 -1.55 -0.13 0.00 -1.87 0.00 0.00 57.45 53.82 2dit n PHE 24 Cb 0.64 0.32 -0.10 0.00 -1.61 0.00 0.00 39.48 38.73 2dit n PHE 24 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 2dit s HIS 25 N -3.52 -0.44 -0.02 2.97 2.46 -1.26 -3.25 115.29 112.23 2dit s HIS 25 Ca 0.20 1.05 -0.25 0.00 0.47 0.00 0.00 55.06 56.53 2dit s HIS 25 Cb -0.00 0.16 -0.19 0.00 -0.13 0.00 0.00 32.58 32.42 2dit s HIS 25 CO 0.14 -0.24 1.19 -1.00 -2.47 0.00 0.00 174.74 172.36 2dit h PRO 26 N 5.29 -0.12 0.00 2.88 0.13 -1.81 -3.00 132.00 135.37 2dit h PRO 26 Ca -0.27 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2dit h PRO 26 Cb 1.18 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dit h PRO 26 CO 0.26 0.33 0.23 0.52 -0.23 0.00 0.00 178.00 179.11 2dit h MET 27 N -0.61 0.00 0.22 0.86 2.86 -1.95 0.12 114.93 116.44 2dit h MET 27 Ca -0.01 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.30 2dit h MET 27 Cb 0.50 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.19 2dit h MET 27 CO 0.02 0.00 -1.42 0.22 1.06 0.00 0.00 176.91 176.79 2dit h ASP 28 N 0.00 0.77 0.42 1.22 1.82 -1.91 -3.27 116.42 115.47 2dit h ASP 28 Ca 0.00 -0.82 -0.05 0.00 -0.39 0.00 0.00 57.03 55.77 2dit h ASP 28 Cb 0.46 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.21 2dit h ASP 28 CO 0.00 1.64 -0.23 -0.26 -1.61 0.00 0.00 179.24 178.78 2dit h PHE 29 N 0.14 0.00 0.00 0.28 0.04 -0.74 -2.31 116.94 114.35 2dit h PHE 29 Ca -0.23 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.48 2dit h PHE 29 Cb 2.12 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 40.26 2dit h PHE 29 CO 0.12 0.23 -0.29 0.93 -0.60 0.00 0.00 178.31 178.69 2dit h GLU 30 N 0.00 0.00 0.08 1.51 4.39 -1.56 -2.79 114.58 116.22 2dit h GLU 30 Ca -0.00 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.42 2dit h GLU 30 Cb 0.50 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2dit h GLU 30 CO 0.03 0.29 -1.35 0.22 -1.16 0.00 0.00 179.01 177.04 2dit h ASP 31 N 0.00 0.28 -3.33 1.42 3.58 -1.53 -3.47 116.42 113.37 2dit h ASP 31 Ca -0.00 -0.35 0.04 0.00 0.42 0.00 0.00 57.03 57.14 2dit h ASP 31 Cb 0.53 -0.09 -0.25 0.00 1.72 0.00 0.00 39.33 41.24 2dit h ASP 31 CO 0.04 1.28 0.38 -1.81 -2.88 0.00 0.00 179.24 176.26 2dit s ASP 32 N -6.88 -0.52 0.19 2.28 1.01 -1.05 -5.05 116.67 106.65 2dit s ASP 32 Ca -0.05 0.99 -0.05 0.00 0.71 0.00 0.00 52.55 54.15 2dit s ASP 32 Cb 0.08 1.01 0.12 0.00 1.01 0.00 0.00 42.92 45.14 2dit s ASP 32 CO 0.85 -0.17 1.55 1.55 0.21 0.00 0.00 175.17 179.16 2dit h PRO 33 N 4.45 0.68 -0.97 8.23 0.13 -1.86 -3.24 132.00 139.42 2dit h PRO 33 Ca -0.28 -0.36 0.23 0.00 -0.87 0.00 0.00 66.00 64.71 2dit h PRO 33 Cb 1.17 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 32.13 2dit h PRO 33 CO 0.10 0.97 -0.13 1.28 -0.23 0.00 0.00 178.00 179.99 2dit n LEU 34 N -4.03 -0.25 -0.31 1.56 7.99 -1.26 -0.37 117.00 120.34 2dit n LEU 34 Ca -0.02 1.65 -0.08 0.00 -0.01 0.00 0.00 56.01 57.55 2dit n LEU 34 Cb 0.54 -0.54 -0.05 0.00 -0.11 0.00 0.00 43.42 43.25 2dit n LEU 34 CO 0.46 -1.63 0.54 0.58 -1.51 0.00 0.00 177.39 175.83 2dit h VAL 35 N 0.00 0.03 -0.46 4.08 2.07 -1.89 0.40 116.25 120.47 2dit h VAL 35 Ca 0.52 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.96 2dit h VAL 35 Cb 0.93 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2dit h VAL 35 CO -0.96 0.00 -0.02 0.25 0.02 0.00 0.00 177.57 176.87 2dit h LEU 36 N -0.13 0.74 0.62 2.57 5.85 -0.92 -1.84 115.31 122.21 2dit h LEU 36 Ca 0.20 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 2dit h LEU 36 Cb 0.52 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2dit h LEU 36 CO -0.82 0.82 -0.33 0.78 -0.34 0.00 0.00 178.44 178.54 2dit h ASN 37 N 0.72 -0.82 -0.93 1.25 2.35 0.59 0.20 115.58 118.94 2dit h ASN 37 Ca 0.14 0.04 0.11 0.00 -0.55 0.00 0.00 56.30 56.04 2dit h ASN 37 Cb 0.46 0.22 -0.08 0.00 0.05 0.00 0.00 38.32 38.98 2dit h ASN 37 CO 0.02 -0.54 0.56 1.05 -1.65 0.00 0.00 177.43 176.87 2dit h GLU 38 N -0.88 0.87 0.65 0.81 4.11 -0.42 -1.20 114.58 118.52 2dit h GLU 38 Ca -0.08 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.26 2dit h GLU 38 Cb 0.69 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.75 2dit h GLU 38 CO 0.12 0.58 -0.31 0.82 0.07 0.00 0.00 179.01 180.28 2dit h ILE 39 N 0.90 0.34 0.13 -1.06 2.04 -1.18 0.60 117.51 119.28 2dit h ILE 39 Ca 0.46 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 66.26 2dit h ILE 39 Cb 0.45 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 2dit h ILE 39 CO -0.26 0.01 -0.45 -0.09 0.00 0.00 0.00 178.15 177.36 2dit h ARG 40 N -0.92 -0.66 -0.75 2.37 2.43 -0.22 -0.99 114.38 115.64 2dit h ARG 40 Ca -0.09 0.05 0.12 0.00 -0.81 0.00 0.00 59.98 59.24 2dit h ARG 40 Cb 0.68 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.33 2dit h ARG 40 CO 0.15 -0.44 0.50 1.05 -1.51 0.00 0.00 179.97 179.71 2dit h GLU 41 N -0.69 0.54 -0.63 0.20 4.11 -1.25 -1.04 114.58 115.83 2dit h GLU 41 Ca 0.01 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 2dit h GLU 41 Cb 0.71 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2dit h GLU 41 CO -0.25 0.36 0.36 -0.44 0.07 0.00 0.00 179.01 179.11 2dit h ASP 42 N 0.56 0.77 0.24 3.06 5.19 0.38 0.01 116.42 126.62 2dit h ASP 42 Ca 0.36 -0.08 -0.06 0.00 -0.62 0.00 0.00 57.03 56.63 2dit h ASP 42 Cb 0.62 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 2dit h ASP 42 CO -0.13 0.63 -0.26 -0.07 -3.12 0.00 0.00 179.24 176.29 2dit h LEU 43 N 0.86 0.04 -0.05 1.55 3.38 -0.10 0.24 115.31 121.22 2dit h LEU 43 Ca 0.22 -0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.94 2dit h LEU 43 Cb 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2dit h LEU 43 CO -0.04 0.30 -1.07 0.03 0.09 0.00 0.00 178.44 177.75 2dit h ARG 44 N 0.04 0.36 0.00 1.13 3.08 -0.95 -1.91 114.38 116.13 2dit h ARG 44 Ca 0.00 -0.47 -0.09 0.00 0.07 0.00 0.00 59.98 59.50 2dit h ARG 44 Cb 0.48 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 2dit h ARG 44 CO 0.03 1.16 -0.54 -0.39 -1.07 0.00 0.00 179.97 179.16 2dit h VAL 45 N 0.17 0.63 0.06 2.04 -1.51 -0.67 -2.66 116.25 114.31 2dit h VAL 45 Ca -0.11 -1.92 -0.12 0.00 -1.23 0.00 0.00 66.70 63.33 2dit h VAL 45 Cb 1.74 2.26 0.00 0.00 -2.13 0.00 0.00 31.29 33.17 2dit h VAL 45 CO 0.18 0.36 -0.56 1.05 -1.23 0.00 0.00 177.57 177.37 2dit h GLU 46 N 0.00 0.14 0.00 5.19 4.11 -0.56 -3.17 114.58 120.29 2dit h GLU 46 Ca -0.02 -0.23 0.00 0.00 0.07 0.00 0.00 59.36 59.18 2dit h GLU 46 Cb 1.32 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.66 2dit h GLU 46 CO 0.05 1.11 0.00 0.00 0.07 0.00 0.00 179.01 180.24 2dit h SER 48 N 0.00 0.30 -0.87 0.00 0.87 -1.56 -3.30 113.55 108.99 2dit h SER 48 Ca 0.00 -0.25 0.30 0.00 -1.23 0.00 0.00 61.79 60.61 2dit h SER 48 Cb 0.59 -0.09 -0.16 0.00 -0.44 0.00 0.00 62.40 62.30 2dit h SER 48 CO 0.00 1.08 0.23 0.29 -0.53 0.00 0.00 176.83 177.90 2dit n LYS 49 N -3.64 -0.06 0.09 2.24 4.76 -1.11 0.24 118.16 120.68 2dit n LYS 49 Ca -0.04 1.25 -0.12 0.00 -2.87 0.00 0.00 58.31 56.53 2dit n LYS 49 Cb 0.84 -2.11 -0.12 0.00 -1.84 0.00 0.00 35.03 31.81 2dit n LYS 49 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 2dit h PHE 50 N 0.00 0.30 0.00 2.13 -1.00 -1.77 -3.48 116.94 113.11 2dit h PHE 50 Ca 0.63 -0.21 0.00 0.00 2.81 0.00 0.00 57.97 61.20 2dit h PHE 50 Cb 1.50 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 41.05 2dit h PHE 50 CO -0.24 1.14 0.00 0.41 -1.61 0.00 0.00 178.31 178.02 2dit n GLY 51 N 1.38 -0.64 1.82 -1.45 0.00 0.64 -5.02 105.19 101.93 2dit n GLY 51 Ca -0.05 0.54 -0.08 0.00 0.00 0.00 0.00 46.02 46.43 2dit n GLY 51 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dit n GLN 52 N 0.00 0.38 -3.98 1.61 6.02 -1.24 -4.65 117.38 115.52 2dit n GLN 52 Ca 0.00 -1.52 -0.31 0.00 -0.01 0.00 0.00 57.00 55.17 2dit n GLN 52 Cb 0.00 1.46 -0.15 0.00 1.02 0.00 0.00 30.24 32.57 2dit n GLN 52 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2dit s ILE 53 N -2.64 2.21 0.40 5.09 -1.09 -1.26 -4.41 121.20 119.49 2dit s ILE 53 Ca 0.16 -2.44 0.09 0.00 -2.23 0.00 0.00 60.65 56.23 2dit s ILE 53 Cb -0.01 -2.62 0.19 0.00 -1.58 0.00 0.00 42.46 38.44 2dit s ILE 53 CO 0.11 -0.64 1.96 0.03 -1.23 0.00 0.00 174.94 175.17 2dit h ARG 54 N 7.45 0.29 -1.61 2.79 2.47 -1.90 -3.45 114.38 120.43 2dit h ARG 54 Ca -0.05 -0.05 0.06 0.00 -1.26 0.00 0.00 59.98 58.67 2dit h ARG 54 Cb 1.00 -0.05 -0.26 0.00 -1.65 0.00 0.00 29.97 29.01 2dit h ARG 54 CO 0.54 0.35 0.45 0.21 0.56 0.00 0.00 179.97 182.09 2dit s LYS 55 N -4.90 0.52 -0.04 0.04 2.47 -1.25 -4.98 119.74 111.60 2dit s LYS 55 Ca -0.06 0.59 0.01 0.00 -1.56 0.00 0.00 55.97 54.95 2dit s LYS 55 Cb 0.16 0.25 0.02 0.00 -1.46 0.00 0.00 37.83 36.80 2dit s LYS 55 CO 0.73 -0.07 -0.03 -1.17 0.16 0.00 0.00 175.35 174.97 2dit s LEU 56 N 0.17 1.29 -0.18 5.43 2.96 -1.26 0.24 118.68 127.33 2dit s LEU 56 Ca 0.03 -0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 53.80 2dit s LEU 56 Cb -0.05 -0.40 0.06 0.00 0.50 0.00 0.00 46.19 46.30 2dit s LEU 56 CO -0.06 -0.06 0.05 -0.76 -1.32 0.00 0.00 176.35 174.20 2dit s LEU 57 N 0.94 0.93 -0.38 -0.68 1.43 -0.00 -5.00 118.68 115.91 2dit s LEU 57 Ca -0.11 -0.73 -0.20 0.00 -1.03 0.00 0.00 54.13 52.06 2dit s LEU 57 Cb -0.14 -0.49 0.01 0.00 0.03 0.00 0.00 46.19 45.59 2dit s LEU 57 CO -0.00 -0.31 0.58 -0.22 0.23 0.00 0.00 176.35 176.63 2dit s LEU 58 N 1.94 4.38 -1.37 1.79 0.20 -1.26 -0.29 118.68 124.07 2dit s LEU 58 Ca 0.00 -0.09 -0.10 0.00 0.69 0.00 0.00 54.13 54.63 2dit s LEU 58 Cb -0.17 -2.68 0.10 0.00 -0.43 0.00 0.00 46.19 43.01 2dit s LEU 58 CO -0.08 -0.60 2.15 0.49 -0.29 0.00 0.00 176.35 178.01 2dit n PHE 59 N 5.97 3.03 -0.34 5.38 3.72 -0.30 -4.76 117.46 130.17 2dit n PHE 59 Ca -0.03 -2.88 0.31 0.00 -0.05 0.00 0.00 57.45 54.80 2dit n PHE 59 Cb 0.48 -2.18 0.64 0.00 -0.94 0.00 0.00 39.48 37.49 2dit n PHE 59 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 2dit h ASP 60 N 5.62 0.21 -0.06 4.37 3.04 -1.94 -1.68 116.42 125.98 2dit h ASP 60 Ca 0.53 0.05 0.02 0.00 -3.24 0.00 0.00 57.03 54.39 2dit h ASP 60 Cb 0.56 0.02 -0.05 0.00 -1.04 0.00 0.00 39.33 38.82 2dit h ASP 60 CO 1.71 0.02 -0.44 0.03 -2.04 0.00 0.00 179.24 178.51 2dit h ARG 61 N 0.17 -0.49 -6.12 4.15 -0.00 -1.93 -3.33 114.38 106.84 2dit h ARG 61 Ca 0.61 0.03 -0.69 0.00 -0.50 0.00 0.00 59.98 59.44 2dit h ARG 61 Cb 2.01 0.11 0.00 0.00 0.00 0.00 0.00 29.97 32.09 2dit h ARG 61 CO -0.17 -0.33 1.14 1.58 0.00 0.00 0.00 179.97 182.19 2dit n HIS 62 N -4.91 1.95 0.98 3.04 -0.00 -0.63 -4.77 115.22 110.88 2dit n HIS 62 Ca -0.05 0.32 0.05 0.00 0.46 0.00 0.00 57.72 58.50 2dit n HIS 62 Cb 0.32 -2.53 0.30 0.00 -0.12 0.00 0.00 29.99 27.96 2dit n HIS 62 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2dit n PRO 63 N 6.72 0.49 -0.77 1.57 -0.04 -1.26 -2.43 135.00 139.28 2dit n PRO 63 Ca 0.31 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.75 2dit n PRO 63 Cb 0.20 -1.32 0.24 0.00 -0.04 0.00 0.00 33.50 32.58 2dit n PRO 63 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2dit n ASP 64 N -0.82 3.56 -3.44 3.54 9.92 -1.26 -4.81 116.55 123.23 2dit n ASP 64 Ca 0.08 -3.39 -0.24 0.00 -0.53 0.00 0.00 54.79 50.71 2dit n ASP 64 Cb 0.03 -0.65 0.02 0.00 -0.64 0.00 0.00 41.12 39.88 2dit n ASP 64 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dit n GLY 65 N -0.72 -0.79 3.41 0.44 0.00 -1.02 -1.79 105.19 104.72 2dit n GLY 65 Ca 0.33 0.88 -0.35 0.00 0.00 0.00 0.00 46.02 46.89 2dit n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dit s VAL 66 N -2.41 3.70 0.11 1.61 1.01 -1.25 -3.02 120.40 120.16 2dit s VAL 66 Ca 0.17 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.81 2dit s VAL 66 Cb -0.02 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 2dit s VAL 66 CO 0.85 0.44 -0.14 0.00 0.00 0.00 0.00 175.10 176.26 2dit s ALA 67 N 0.99 1.37 -0.23 5.51 0.00 -1.16 -1.15 121.76 127.09 2dit s ALA 67 Ca 0.01 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.78 2dit s ALA 67 Cb -0.15 -0.07 0.05 0.00 0.00 0.00 0.00 23.12 22.96 2dit s ALA 67 CO 0.01 0.10 -0.13 0.45 0.00 0.00 0.00 175.76 176.19 2dit s SER 68 N -2.30 4.03 -0.37 0.00 0.15 0.60 -2.94 113.70 112.88 2dit s SER 68 Ca 0.06 -1.17 -0.05 0.00 0.70 0.00 0.00 55.95 55.49 2dit s SER 68 Cb -0.06 -1.49 0.07 0.00 -1.71 0.00 0.00 66.02 62.83 2dit s SER 68 CO 0.02 -0.14 0.15 -0.69 1.20 0.00 0.00 173.24 173.78 2dit s VAL 69 N 1.18 3.61 0.41 4.45 1.01 -0.90 -0.82 120.40 129.34 2dit s VAL 69 Ca -0.05 -1.48 -0.23 0.00 0.00 0.00 0.00 61.98 60.23 2dit s VAL 69 Cb -0.18 -3.20 -0.10 0.00 0.00 0.00 0.00 36.38 32.91 2dit s VAL 69 CO -0.07 -0.37 1.00 -0.55 0.00 0.00 0.00 175.10 175.10 2dit s SER 70 N 1.66 6.83 0.13 3.32 0.15 0.14 -1.75 113.70 124.18 2dit s SER 70 Ca 0.01 1.87 0.05 0.00 0.70 0.00 0.00 55.95 58.58 2dit s SER 70 Cb -0.21 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.49 2dit s SER 70 CO 0.00 -0.43 -0.11 -0.36 1.20 0.00 0.00 173.24 173.53 2dit s PHE 71 N -1.88 1.28 -0.21 3.44 0.40 0.11 -3.18 117.98 117.94 2dit s PHE 71 Ca 0.60 -0.67 -0.02 0.00 -0.60 0.00 0.00 56.93 56.24 2dit s PHE 71 Cb -0.16 -0.66 -0.20 0.00 0.51 0.00 0.00 43.02 42.51 2dit s PHE 71 CO 0.21 0.10 -0.03 -2.13 0.70 0.00 0.00 175.22 174.06 2dit n ARG 72 N 0.15 0.68 -3.69 0.44 3.00 -1.26 -4.47 116.66 111.51 2dit n ARG 72 Ca -0.13 0.19 -0.37 0.00 -0.00 0.00 0.00 57.85 57.54 2dit n ARG 72 Cb 0.59 -1.58 -0.06 0.00 0.00 0.00 0.00 32.46 31.40 2dit n ARG 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2dit s ASP 73 N -6.72 6.56 0.36 6.15 1.11 -1.26 -4.99 116.67 117.88 2dit s ASP 73 Ca -0.31 0.67 0.15 0.00 0.18 0.00 0.00 52.55 53.24 2dit s ASP 73 Cb 0.08 -2.16 0.68 0.00 1.07 0.00 0.00 42.92 42.60 2dit s ASP 73 CO 0.65 0.34 1.77 1.55 1.18 0.00 0.00 175.17 180.66 2dit h PRO 74 N 5.07 0.00 0.03 8.23 0.13 -2.00 -3.08 132.00 140.38 2dit h PRO 74 Ca -0.52 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2dit h PRO 74 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2dit h PRO 74 CO 0.62 0.41 -0.02 0.93 -0.23 0.00 0.00 178.00 179.71 2dit h GLU 75 N 0.00 -0.04 -0.07 0.86 5.08 -1.98 -2.70 114.58 115.72 2dit h GLU 75 Ca -0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2dit h GLU 75 Cb 0.81 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.01 2dit h GLU 75 CO 0.05 0.59 -0.47 0.93 -1.00 0.00 0.00 179.01 179.11 2dit h GLU 76 N -0.73 -0.55 0.33 2.33 3.07 -1.95 0.58 114.58 117.66 2dit h GLU 76 Ca -0.00 0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.89 2dit h GLU 76 Cb 0.65 0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.66 2dit h GLU 76 CO 0.01 -0.37 -0.48 0.00 -1.40 0.00 0.00 179.01 176.77 2dit h ALA 77 N -0.12 -1.07 -0.90 3.43 0.00 -1.66 0.97 119.26 119.91 2dit h ALA 77 Ca 0.05 -0.15 0.26 0.00 0.00 0.00 0.00 54.91 55.07 2dit h ALA 77 Cb 0.67 0.76 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 2dit h ALA 77 CO -0.38 -1.13 0.76 -0.44 0.00 0.00 0.00 179.25 178.06 2dit h ASP 78 N -0.85 0.00 0.57 0.00 5.19 -1.25 0.65 116.42 120.73 2dit h ASP 78 Ca -0.04 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.11 2dit h ASP 78 Cb 0.77 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.24 2dit h ASP 78 CO -0.14 0.00 -1.60 0.22 -3.12 0.00 0.00 179.24 174.60 2dit h TYR 79 N 0.00 0.00 0.00 4.55 3.20 0.65 -3.35 116.97 122.03 2dit h TYR 79 Ca 0.43 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.20 2dit h TYR 79 Cb 1.95 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 40.20 2dit h TYR 79 CO 0.00 0.89 -0.45 0.00 -1.64 0.00 0.00 178.16 176.96 2dit h ILE 81 N 0.00 1.28 0.00 0.00 -0.00 -1.25 0.75 117.51 118.30 2dit h ILE 81 Ca -0.00 -1.47 -0.20 0.00 -0.00 0.00 0.00 64.86 63.19 2dit h ILE 81 Cb 0.88 1.79 -0.03 0.00 -0.00 0.00 0.00 36.82 39.46 2dit h ILE 81 CO 0.06 0.42 -1.58 0.00 -0.00 0.00 0.00 178.15 177.05 2dit n GLN 82 N -4.00 0.63 0.02 0.16 10.64 -1.08 -2.53 117.38 121.22 2dit n GLN 82 Ca -0.02 0.19 -0.03 0.00 -1.83 0.00 0.00 57.00 55.31 2dit n GLN 82 Cb 0.45 -1.76 -0.10 0.00 -0.86 0.00 0.00 30.24 27.97 2dit n GLN 82 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 2dit h THR 83 N 0.00 0.67 0.00 -0.39 2.02 -1.07 -3.35 112.91 110.79 2dit h THR 83 Ca -0.21 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 64.68 2dit h THR 83 Cb 1.68 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 70.30 2dit h THR 83 CO 0.05 0.38 -1.06 0.18 0.37 0.00 0.00 175.52 175.45 2dit n LEU 84 N -2.97 0.61 0.00 2.58 4.77 0.26 -4.01 117.00 118.24 2dit n LEU 84 Ca -0.11 -0.06 0.06 0.00 -0.03 0.00 0.00 56.01 55.86 2dit n LEU 84 Cb 0.91 -0.09 0.30 0.00 -2.33 0.00 0.00 43.42 42.21 2dit n LEU 84 CO 0.44 0.06 0.60 -0.67 -1.33 0.00 0.00 177.39 176.49 2dit n ASP 85 N -1.92 0.00 0.00 -1.43 -0.08 -1.05 -1.82 116.55 110.25 2dit n ASP 85 Ca 0.02 -0.07 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 2dit n ASP 85 Cb 0.43 -0.17 0.00 0.00 2.34 0.00 0.00 41.12 43.72 2dit n ASP 85 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dit n GLY 86 N -0.32 -0.54 3.53 0.27 0.00 -1.14 -4.12 105.19 102.88 2dit n GLY 86 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 2dit n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dit s ARG 87 N -0.10 -0.52 -0.11 1.61 1.81 -0.76 -4.63 118.95 116.26 2dit s ARG 87 Ca 0.00 0.98 0.00 0.00 -1.72 0.00 0.00 55.73 54.99 2dit s ARG 87 Cb 0.00 -1.59 0.02 0.00 -0.45 0.00 0.00 34.95 32.93 2dit s ARG 87 CO 0.00 -3.50 -0.09 -1.58 -0.68 0.00 0.00 175.30 169.46 2dit s TRP 88 N -2.51 1.52 -0.02 -0.53 0.52 -1.26 0.48 118.94 117.14 2dit s TRP 88 Ca 0.68 -0.74 0.07 0.00 0.02 0.00 0.00 56.10 56.13 2dit s TRP 88 Cb -0.24 -1.23 -0.02 0.00 -1.15 0.00 0.00 33.47 30.83 2dit s TRP 88 CO 0.63 -0.48 -0.22 -0.06 0.02 0.00 0.00 176.95 176.84 2dit s PHE 89 N 1.51 1.97 0.00 -1.98 0.40 0.35 -4.66 117.98 115.58 2dit s PHE 89 Ca 0.02 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 2dit s PHE 89 Cb -0.13 -1.27 0.00 0.00 0.51 0.00 0.00 43.02 42.12 2dit s PHE 89 CO -0.06 -0.05 0.00 0.41 0.70 0.00 0.00 175.22 176.21 2dit n GLY 90 N 2.60 0.11 0.00 4.36 0.00 -1.26 -1.17 105.19 109.83 2dit n GLY 90 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2dit n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dit n GLY 91 N -0.85 2.20 3.80 -0.02 0.00 -1.26 -5.09 105.19 103.97 2dit n GLY 91 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2dit n GLY 91 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2dit s ARG 92 N -0.39 2.57 0.58 1.61 1.70 -0.32 -5.05 118.95 119.65 2dit s ARG 92 Ca 0.00 -1.40 -0.13 0.00 -0.47 0.00 0.00 55.73 53.73 2dit s ARG 92 Cb 0.00 -2.34 -0.06 0.00 -0.57 0.00 0.00 34.95 31.98 2dit s ARG 92 CO 0.00 0.12 1.01 -1.14 -1.08 0.00 0.00 175.30 174.21 2dit s GLN 93 N -3.92 3.73 0.06 3.89 0.74 -1.26 0.13 119.66 123.03 2dit s GLN 93 Ca 0.39 0.84 0.03 0.00 0.05 0.00 0.00 55.36 56.67 2dit s GLN 93 Cb -0.04 -2.10 -0.03 0.00 1.10 0.00 0.00 33.01 31.94 2dit s GLN 93 CO 0.25 -0.46 -0.10 0.96 -0.55 0.00 0.00 175.29 175.38 2dit s ILE 94 N -2.95 0.79 0.13 -2.34 -4.36 0.18 -4.72 121.20 107.93 2dit s ILE 94 Ca 0.57 -1.22 0.05 0.00 -0.26 0.00 0.00 60.65 59.79 2dit s ILE 94 Cb -0.11 -0.85 -0.04 0.00 1.25 0.00 0.00 42.46 42.71 2dit s ILE 94 CO 0.45 -0.34 0.08 0.28 0.24 0.00 0.00 174.94 175.65 2dit s THR 95 N -1.45 4.34 0.07 8.37 -1.32 -1.22 -2.86 115.64 121.56 2dit s THR 95 Ca -0.06 -1.03 0.05 0.00 -1.21 0.00 0.00 61.69 59.45 2dit s THR 95 Cb -0.09 -3.16 -0.03 0.00 -1.51 0.00 0.00 72.50 67.71 2dit s THR 95 CO 0.01 -0.02 -0.15 0.00 -2.21 0.00 0.00 174.62 172.26 2dit s ALA 96 N -1.59 1.21 0.13 11.08 0.00 -1.26 -3.01 121.76 128.32 2dit s ALA 96 Ca 0.29 -0.98 -0.25 0.00 0.00 0.00 0.00 51.96 51.02 2dit s ALA 96 Cb -0.11 -0.12 0.07 0.00 0.00 0.00 0.00 23.12 22.96 2dit s ALA 96 CO 0.22 0.19 0.75 1.14 0.00 0.00 0.00 175.76 178.06 2dit s GLN 97 N -1.64 1.21 -0.05 0.00 0.00 -0.99 -4.68 119.66 113.52 2dit s GLN 97 Ca -0.01 -0.53 -0.24 0.00 -0.00 0.00 0.00 55.36 54.59 2dit s GLN 97 Cb -0.10 0.51 -0.04 0.00 0.00 0.00 0.00 33.01 33.38 2dit s GLN 97 CO 0.02 -0.54 0.71 0.00 0.00 0.00 0.00 175.29 175.49 2dit s ALA 98 N -3.53 3.34 0.34 2.60 0.00 -1.26 -0.18 121.76 123.06 2dit s ALA 98 Ca 0.05 0.16 -0.16 0.00 0.00 0.00 0.00 51.96 52.01 2dit s ALA 98 Cb -0.02 -2.97 -0.09 0.00 0.00 0.00 0.00 23.12 20.04 2dit s ALA 98 CO -0.07 -0.08 0.78 -0.46 0.00 0.00 0.00 175.76 175.92 2dit s TRP 99 N 0.70 3.38 -0.07 0.00 -0.00 0.78 -4.89 118.94 118.84 2dit s TRP 99 Ca 0.38 1.30 -0.08 0.00 -0.00 0.00 0.00 56.10 57.70 2dit s TRP 99 Cb -0.18 -2.60 -0.03 0.00 -0.00 0.00 0.00 33.47 30.66 2dit s TRP 99 CO 0.19 0.07 -0.16 -3.47 -0.00 0.00 0.00 176.95 173.58 2dit n ASP 100 N -0.34 1.04 0.00 5.86 2.03 -1.26 -4.69 116.55 119.19 2dit n ASP 100 Ca 0.04 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.52 2dit n ASP 100 Cb 0.53 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 2dit n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dit n GLY 101 N 1.89 0.00 0.00 0.27 0.00 -1.26 -5.06 105.19 101.03 2dit n GLY 101 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2dit n GLY 101 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2dit n THR 102 N 0.00 0.00 -1.84 2.61 5.66 -1.26 -5.07 114.28 114.38 2dit n THR 102 Ca 0.00 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.65 2dit n THR 102 Cb 0.00 -0.68 0.05 0.00 -1.55 0.00 0.00 70.33 68.15 2dit n THR 102 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2dit s THR 103 N -1.74 2.55 -0.39 1.09 -1.32 -1.26 -4.95 115.64 109.62 2dit s THR 103 Ca 0.00 0.32 0.05 0.00 -1.21 0.00 0.00 61.69 60.85 2dit s THR 103 Cb 0.00 -3.04 0.48 0.00 -1.51 0.00 0.00 72.50 68.43 2dit s THR 103 CO 0.00 -0.10 1.51 -0.90 -2.21 0.00 0.00 174.62 172.93 2dit n ASP 104 N -1.94 4.80 0.36 8.08 5.68 -1.26 -4.66 116.55 127.62 2dit n ASP 104 Ca 0.14 -3.77 -0.14 0.00 -0.50 0.00 0.00 54.79 50.51 2dit n ASP 104 Cb 0.50 -0.61 -0.07 0.00 -1.14 0.00 0.00 41.12 39.80 2dit n ASP 104 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 2dit h TYR 105 N 1.72 -0.86 0.00 2.11 0.05 -2.04 -3.38 116.97 114.57 2dit h TYR 105 Ca 0.39 -0.02 -0.36 0.00 0.05 0.00 0.00 58.73 58.79 2dit h TYR 105 Cb 1.42 0.28 -0.07 0.00 1.01 0.00 0.00 36.73 39.38 2dit h TYR 105 CO 1.08 -0.54 -2.37 0.00 -1.05 0.00 0.00 178.16 175.29 2dit n GLN 106 N -4.89 0.74 -1.34 4.88 -0.00 -1.26 -5.00 117.38 110.51 2dit n GLN 106 Ca -0.12 0.04 -0.43 0.00 -0.00 0.00 0.00 57.00 56.49 2dit n GLN 106 Cb 0.37 -1.50 -0.01 0.00 -0.00 0.00 0.00 30.24 29.10 2dit n GLN 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2dit n SER 107 N -2.89 -2.33 -2.66 2.61 2.88 -1.26 -4.95 113.62 105.02 2dit n SER 107 Ca -0.36 0.88 -0.04 0.00 -1.33 0.00 0.00 58.87 58.02 2dit n SER 107 Cb 1.09 -0.92 0.07 0.00 -0.75 0.00 0.00 64.21 63.69 2dit n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dit n GLY 108 N 2.21 -1.85 3.55 0.46 0.00 -1.26 -4.95 105.19 103.35 2dit n GLY 108 Ca 0.12 1.11 -0.39 0.00 0.00 0.00 0.00 46.02 46.87 2dit n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dit s PRO 109 N 0.23 2.63 -1.38 1.61 0.04 -1.26 -3.92 135.00 132.96 2dit s PRO 109 Ca 0.25 0.62 -0.15 0.00 0.04 0.00 0.00 61.00 61.76 2dit s PRO 109 Cb 0.19 -4.39 0.15 0.00 0.04 0.00 0.00 34.50 30.50 2dit s PRO 109 CO -0.08 -2.72 0.37 0.43 0.04 0.00 0.00 177.00 175.04 2dit n SER 110 N 12.72 -1.02 -4.50 6.66 7.64 -1.26 -4.76 113.62 129.10 2dit n SER 110 Ca 0.20 -0.95 -0.44 0.00 1.01 0.00 0.00 58.87 58.70 2dit n SER 110 Cb 0.52 -1.20 -0.00 0.00 -1.01 0.00 0.00 64.21 62.52 2dit n SER 110 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dit s SER 111 N -2.93 6.99 0.00 6.43 0.15 -1.25 -5.35 113.70 117.74 2dit s SER 111 Ca 0.52 -2.81 0.00 0.00 0.70 0.00 0.00 55.95 54.37 2dit s SER 111 Cb -0.31 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 2dit s SER 111 CO 0.77 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.93