#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dit s SER 2 N 0.00 -0.53 -0.06 1.61 1.04 -1.26 -4.98 113.70 109.52 2dit s SER 2 Ca 0.00 0.93 0.06 0.00 0.48 0.00 0.00 55.95 57.42 2dit s SER 2 Cb 0.00 1.07 0.28 0.00 0.10 0.00 0.00 66.02 67.47 2dit s SER 2 CO 0.00 -0.15 1.03 -1.54 0.98 0.00 0.00 173.24 173.55 2dit n SER 3 N 2.97 2.35 -2.96 7.02 3.41 -1.26 -4.96 113.62 120.20 2dit n SER 3 Ca -0.15 -2.24 -0.20 0.00 -0.26 0.00 0.00 58.87 56.02 2dit n SER 3 Cb 0.57 -0.45 0.02 0.00 -0.26 0.00 0.00 64.21 64.08 2dit n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dit n GLY 4 N 0.44 0.10 2.95 5.00 0.00 -1.26 -4.96 105.19 107.45 2dit n GLY 4 Ca 0.10 0.58 -0.26 0.00 0.00 0.00 0.00 46.02 46.44 2dit n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dit s SER 5 N -1.06 2.01 0.18 1.61 1.04 -1.26 -5.04 113.70 111.19 2dit s SER 5 Ca 0.19 -0.30 -0.26 0.00 0.48 0.00 0.00 55.95 56.06 2dit s SER 5 Cb -0.02 -0.83 0.05 0.00 0.10 0.00 0.00 66.02 65.31 2dit s SER 5 CO 0.44 -0.06 1.55 -1.28 0.98 0.00 0.00 173.24 174.86 2dit h SER 6 N 7.71 -1.87 -6.04 7.02 0.87 -2.05 -3.46 113.55 115.74 2dit h SER 6 Ca -0.31 0.32 -0.32 0.00 -1.23 0.00 0.00 61.79 60.25 2dit h SER 6 Cb 1.15 0.87 0.06 0.00 -0.44 0.00 0.00 62.40 64.04 2dit h SER 6 CO 0.44 -0.26 -0.73 0.61 -0.53 0.00 0.00 176.83 176.36 2dit n GLY 7 N -1.34 -1.14 3.43 5.77 0.00 -1.26 -3.65 105.19 107.00 2dit n GLY 7 Ca 0.05 0.50 -0.32 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.66 -0.24 0.21 -0.02 0.00 -1.26 -4.84 105.19 97.38 2dit n GLY 8 Ca -0.11 1.11 0.07 0.00 0.00 0.00 0.00 46.02 47.09 2dit n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dit h PRO 9 N 1.78 0.00 -6.69 1.61 0.13 -1.91 -3.44 132.00 123.49 2dit h PRO 9 Ca -0.48 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.15 2dit h PRO 9 Cb 1.34 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.45 2dit h PRO 9 CO 0.24 0.30 0.06 -1.12 -0.23 0.00 0.00 178.00 177.26 2dit s SER 10 N -6.42 6.74 0.33 1.44 0.01 -1.26 -5.09 113.70 109.45 2dit s SER 10 Ca -0.01 1.22 0.03 0.00 1.31 0.00 0.00 55.95 58.50 2dit s SER 10 Cb 0.12 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 2dit s SER 10 CO 0.66 -0.19 0.14 0.00 0.41 0.00 0.00 173.24 174.26 2dit s ARG 11 N -2.99 1.68 0.18 12.44 3.03 -1.26 -4.96 118.95 127.07 2dit s ARG 11 Ca 0.53 -1.97 0.07 0.00 2.03 0.00 0.00 55.73 56.39 2dit s ARG 11 Cb -0.10 -0.33 -0.04 0.00 -1.03 0.00 0.00 34.95 33.44 2dit s ARG 11 CO 0.19 -0.42 -0.15 -1.64 -1.13 0.00 0.00 175.30 172.15 2dit s MET 12 N -3.81 1.25 -0.19 3.89 -1.94 -1.26 -5.03 119.30 112.22 2dit s MET 12 Ca 0.33 -1.49 -0.01 0.00 -1.71 0.00 0.00 55.69 52.81 2dit s MET 12 Cb 0.05 -1.09 0.10 0.00 2.01 0.00 0.00 34.83 35.90 2dit s MET 12 CO 0.16 0.19 2.14 0.54 -0.01 0.00 0.00 175.02 178.05 2dit n ARG 13 N -0.10 1.54 -2.01 2.03 3.00 -1.26 -4.89 116.66 114.97 2dit n ARG 13 Ca -0.10 -0.99 -0.17 0.00 -0.01 0.00 0.00 57.85 56.58 2dit n ARG 13 Cb 0.59 -1.43 0.09 0.00 0.00 0.00 0.00 32.46 31.71 2dit n ARG 13 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2dit n HIS 14 N 0.93 -3.11 -2.43 -1.55 8.25 -1.26 -5.05 115.22 111.00 2dit n HIS 14 Ca 0.20 -1.27 -0.17 0.00 -0.26 0.00 0.00 57.72 56.22 2dit n HIS 14 Cb 0.56 -0.55 0.02 0.00 1.12 0.00 0.00 29.99 31.15 2dit n HIS 14 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 2dit n GLU 15 N -2.40 2.73 -3.26 -0.41 0.28 -1.26 -4.92 120.64 111.41 2dit n GLU 15 Ca 0.12 -3.97 -0.31 0.00 -0.16 0.00 0.00 57.16 52.84 2dit n GLU 15 Cb 0.43 -1.95 -0.05 0.00 1.43 0.00 0.00 31.44 31.30 2dit n GLU 15 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 2dit n ARG 16 N -0.51 3.16 -4.30 3.44 3.00 -1.26 -4.84 116.66 115.36 2dit n ARG 16 Ca 0.29 -4.67 -0.20 0.00 -0.00 0.00 0.00 57.85 53.27 2dit n ARG 16 Cb 0.82 -2.33 -0.16 0.00 0.00 0.00 0.00 32.46 30.79 2dit n ARG 16 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2dit s VAL 17 N -2.79 0.69 0.01 5.15 1.01 -1.26 0.00 120.40 123.22 2dit s VAL 17 Ca 0.39 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 2dit s VAL 17 Cb 0.14 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 2dit s VAL 17 CO 0.00 0.24 0.21 0.68 0.00 0.00 0.00 175.10 176.24 2dit s VAL 18 N 0.61 5.40 0.14 2.92 -7.23 -0.00 -0.06 120.40 122.17 2dit s VAL 18 Ca -0.09 -0.15 0.08 0.00 -1.81 0.00 0.00 61.98 60.00 2dit s VAL 18 Cb -0.12 -3.57 -0.04 0.00 0.56 0.00 0.00 36.38 33.21 2dit s VAL 18 CO 0.01 0.28 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.37 2dit s ILE 19 N -1.37 3.41 -0.01 -0.62 -1.09 0.13 -1.02 121.20 120.63 2dit s ILE 19 Ca 0.30 -1.39 0.03 0.00 -2.23 0.00 0.00 60.65 57.35 2dit s ILE 19 Cb -0.13 -2.64 -0.01 0.00 -1.58 0.00 0.00 42.46 38.10 2dit s ILE 19 CO 0.20 0.01 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.20 2dit s ILE 20 N -1.44 0.78 0.10 2.92 -1.09 -0.78 -2.38 121.20 119.30 2dit s ILE 20 Ca 0.24 -0.44 0.09 0.00 -2.23 0.00 0.00 60.65 58.30 2dit s ILE 20 Cb -0.10 -0.66 -0.03 0.00 -1.58 0.00 0.00 42.46 40.09 2dit s ILE 20 CO 0.15 0.21 -0.23 -0.54 -1.23 0.00 0.00 174.94 173.30 2dit s LYS 21 N -0.27 1.30 -1.15 2.79 -0.14 -1.16 -2.69 119.74 118.42 2dit s LYS 21 Ca 0.04 -1.18 -0.04 0.00 -1.36 0.00 0.00 55.97 53.43 2dit s LYS 21 Cb -0.04 -1.60 -0.03 0.00 -1.68 0.00 0.00 37.83 34.48 2dit s LYS 21 CO -0.00 0.38 0.91 -1.71 -0.76 0.00 0.00 175.35 174.17 2dit n ASN 22 N 1.21 -4.09 0.00 2.83 5.15 -0.96 -2.92 115.26 116.48 2dit n ASN 22 Ca -0.18 -0.72 0.00 0.00 -0.60 0.00 0.00 54.58 53.08 2dit n ASN 22 Cb 0.53 -4.87 0.00 0.00 -0.53 0.00 0.00 39.78 34.91 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 -3.78 1.28 -3.87 1.20 0.00 -1.25 -4.12 117.12 106.57 2dit n MET 23 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.42 2dit n MET 23 Cb 0.64 -0.95 0.01 0.00 0.00 0.00 0.00 33.22 32.92 2dit n MET 23 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 2dit s PHE 24 N -1.81 0.31 -0.13 3.17 -0.12 -1.26 -4.31 117.98 113.83 2dit s PHE 24 Ca 0.00 -0.88 -0.14 0.00 -0.05 0.00 0.00 56.93 55.86 2dit s PHE 24 Cb 0.00 0.63 0.04 0.00 -0.63 0.00 0.00 43.02 43.06 2dit s PHE 24 CO 0.00 -1.46 0.39 -1.58 -0.05 0.00 0.00 175.22 172.52 2dit s HIS 25 N -2.56 -0.41 -0.25 3.49 2.46 -1.26 -2.65 115.29 114.11 2dit s HIS 25 Ca 0.19 0.97 0.28 0.00 0.47 0.00 0.00 55.06 56.96 2dit s HIS 25 Cb -0.04 0.15 1.15 0.00 -0.13 0.00 0.00 32.58 33.71 2dit s HIS 25 CO 0.13 -0.24 1.82 -1.00 -2.47 0.00 0.00 174.74 172.98 2dit h PRO 26 N 5.25 0.00 0.00 2.88 0.13 -1.79 -2.67 132.00 135.81 2dit h PRO 26 Ca -0.27 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.75 2dit h PRO 26 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2dit h PRO 26 CO 0.28 0.00 -0.53 1.98 -0.23 0.00 0.00 178.00 179.50 2dit h MET 27 N 0.00 0.00 0.04 0.86 4.05 -1.95 -3.19 114.93 114.74 2dit h MET 27 Ca 0.00 0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.16 2dit h MET 27 Cb 0.41 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.22 2dit h MET 27 CO 0.00 0.53 -1.06 -0.44 0.23 0.00 0.00 176.91 176.17 2dit h ASP 28 N 0.00 0.69 0.36 1.39 5.19 -1.85 -3.19 116.42 119.01 2dit h ASP 28 Ca -0.01 -0.59 -0.04 0.00 -0.62 0.00 0.00 57.03 55.78 2dit h ASP 28 Cb 1.27 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.56 2dit h ASP 28 CO 0.07 1.39 -0.18 -0.26 -3.12 0.00 0.00 179.24 177.14 2dit h PHE 29 N 0.27 0.00 0.00 4.55 0.04 -1.58 -1.54 116.94 118.68 2dit h PHE 29 Ca -0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.65 2dit h PHE 29 Cb 1.71 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.86 2dit h PHE 29 CO 0.08 0.18 0.00 0.93 -0.60 0.00 0.00 178.31 178.90 2dit h GLU 30 N 0.00 0.00 0.00 1.51 5.08 -1.54 -2.86 114.58 116.78 2dit h GLU 30 Ca -0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 2dit h GLU 30 Cb 0.41 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 2dit h GLU 30 CO 0.02 0.00 -2.13 -3.47 -1.00 0.00 0.00 179.01 172.44 2dit n ASP 31 N -2.84 0.11 -3.64 1.42 2.03 -0.63 -5.00 116.55 107.99 2dit n ASP 31 Ca 0.01 0.05 -0.04 0.00 0.52 0.00 0.00 54.79 55.33 2dit n ASP 31 Cb 0.28 1.23 -0.07 0.00 -0.72 0.00 0.00 41.12 41.84 2dit n ASP 31 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2dit s ASP 32 N -5.19 -0.23 0.20 1.67 1.01 -0.89 -5.05 116.67 108.19 2dit s ASP 32 Ca -0.08 0.43 -0.04 0.00 0.71 0.00 0.00 52.55 53.57 2dit s ASP 32 Cb 0.09 0.58 0.15 0.00 1.01 0.00 0.00 42.92 44.75 2dit s ASP 32 CO 0.86 -0.07 1.56 1.55 0.21 0.00 0.00 175.17 179.27 2dit h PRO 33 N 4.02 0.65 -0.96 8.23 0.13 -1.85 -3.23 132.00 138.98 2dit h PRO 33 Ca -0.27 -0.34 0.27 0.00 -0.87 0.00 0.00 66.00 64.79 2dit h PRO 33 Cb 1.19 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 32.15 2dit h PRO 33 CO 0.16 0.94 0.05 1.28 -0.23 0.00 0.00 178.00 180.21 2dit n LEU 34 N -4.03 -0.08 -0.20 1.56 7.99 -1.26 -0.15 117.00 120.83 2dit n LEU 34 Ca -0.02 1.63 -0.08 0.00 -0.01 0.00 0.00 56.01 57.53 2dit n LEU 34 Cb 0.53 -0.61 -0.04 0.00 -0.11 0.00 0.00 43.42 43.20 2dit n LEU 34 CO 0.46 -1.66 0.57 0.58 -1.51 0.00 0.00 177.39 175.83 2dit h VAL 35 N 0.00 0.09 -0.22 4.08 2.07 -1.89 0.34 116.25 120.71 2dit h VAL 35 Ca 0.60 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 68.04 2dit h VAL 35 Cb 1.26 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2dit h VAL 35 CO -0.89 0.00 -0.19 0.25 0.02 0.00 0.00 177.57 176.76 2dit h LEU 36 N -0.23 0.38 0.78 2.57 5.85 -0.76 -1.89 115.31 122.01 2dit h LEU 36 Ca 0.18 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 2dit h LEU 36 Cb 0.56 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.50 2dit h LEU 36 CO -0.68 0.59 -0.37 0.78 -0.34 0.00 0.00 178.44 178.41 2dit h ASN 37 N 0.36 -0.88 -0.72 1.25 2.35 0.44 0.26 115.58 118.65 2dit h ASN 37 Ca 0.06 0.03 0.07 0.00 -0.55 0.00 0.00 56.30 55.92 2dit h ASN 37 Cb 0.54 0.23 -0.06 0.00 0.05 0.00 0.00 38.32 39.07 2dit h ASN 37 CO 0.04 -0.59 0.39 1.05 -1.65 0.00 0.00 177.43 176.67 2dit h GLU 38 N -1.12 0.68 0.36 0.81 4.11 -0.50 -1.10 114.58 117.82 2dit h GLU 38 Ca -0.11 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.27 2dit h GLU 38 Cb 0.80 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2dit h GLU 38 CO 0.17 0.45 -0.17 0.82 0.07 0.00 0.00 179.01 180.35 2dit h ILE 39 N 0.70 0.66 0.29 -1.06 2.04 -1.30 0.66 117.51 119.50 2dit h ILE 39 Ca 0.33 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 66.05 2dit h ILE 39 Cb 0.26 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 2dit h ILE 39 CO -0.22 0.03 -0.50 -0.09 0.00 0.00 0.00 178.15 177.37 2dit h ARG 40 N -0.56 -0.81 -0.78 2.37 2.43 -0.14 -1.28 114.38 115.61 2dit h ARG 40 Ca -0.05 0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.29 2dit h ARG 40 Cb 0.42 0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 30.10 2dit h ARG 40 CO 0.08 -0.54 0.51 1.05 -1.51 0.00 0.00 179.97 179.56 2dit h GLU 41 N -0.84 0.60 -0.78 0.20 -0.00 -1.23 -0.97 114.58 111.55 2dit h GLU 41 Ca -0.03 -0.04 0.02 0.00 -0.00 0.00 0.00 59.36 59.31 2dit h GLU 41 Cb 0.79 -0.14 -0.04 0.00 -0.00 0.00 0.00 28.75 29.36 2dit h GLU 41 CO -0.18 0.40 0.50 -0.44 -0.00 0.00 0.00 179.01 179.29 2dit h ASP 42 N 0.62 0.85 0.55 3.06 3.32 0.08 0.19 116.42 125.09 2dit h ASP 42 Ca 0.37 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.33 2dit h ASP 42 Cb 0.59 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2dit h ASP 42 CO -0.14 0.60 -0.36 -0.07 -1.72 0.00 0.00 179.24 177.55 2dit h LEU 43 N 1.00 0.00 0.00 1.55 3.38 -0.10 0.28 115.31 121.42 2dit h LEU 43 Ca 0.30 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.11 2dit h LEU 43 Cb -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2dit h LEU 43 CO -0.09 0.36 -0.87 -0.09 0.09 0.00 0.00 178.44 177.84 2dit h ARG 44 N 0.00 0.00 0.00 1.13 1.12 -0.80 -2.88 114.38 112.95 2dit h ARG 44 Ca -0.00 0.00 -0.16 0.00 -1.11 0.00 0.00 59.98 58.70 2dit h ARG 44 Cb 0.74 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.67 2dit h ARG 44 CO 0.05 0.64 -1.45 1.33 -3.11 0.00 0.00 179.97 177.43 2dit n VAL 45 N -3.21 1.15 0.01 0.20 0.24 0.57 -3.34 118.33 113.94 2dit n VAL 45 Ca -0.01 -0.69 -0.18 0.00 -2.04 0.00 0.00 64.34 61.42 2dit n VAL 45 Cb 0.84 -0.70 -0.12 0.00 -1.47 0.00 0.00 33.84 32.39 2dit n VAL 45 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 2dit h GLU 46 N 0.00 0.34 0.00 7.34 4.11 -0.53 -2.92 114.58 122.92 2dit h GLU 46 Ca -0.17 -0.41 0.00 0.00 0.07 0.00 0.00 59.36 58.85 2dit h GLU 46 Cb 1.57 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.95 2dit h GLU 46 CO 0.04 1.10 0.00 0.00 0.07 0.00 0.00 179.01 180.23 2dit h SER 48 N 0.00 0.00 -0.93 0.00 0.87 -1.57 -3.28 113.55 108.64 2dit h SER 48 Ca 0.00 0.00 0.27 0.00 -1.23 0.00 0.00 61.79 60.83 2dit h SER 48 Cb 0.56 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 62.37 2dit h SER 48 CO 0.00 0.92 0.30 0.11 -0.53 0.00 0.00 176.83 177.63 2dit h LYS 49 N 0.00 0.18 0.00 2.24 1.79 -1.31 0.75 116.57 120.22 2dit h LYS 49 Ca -0.06 -0.01 -0.12 0.00 -2.18 0.00 0.00 60.65 58.28 2dit h LYS 49 Cb 1.76 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 32.35 2dit h LYS 49 CO 0.11 0.12 -0.76 0.74 -1.08 0.00 0.00 179.45 178.58 2dit h PHE 50 N 0.19 0.00 0.00 -1.35 -1.00 -1.75 -3.49 116.94 109.54 2dit h PHE 50 Ca 0.62 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.40 2dit h PHE 50 Cb 1.33 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.89 2dit h PHE 50 CO -0.22 0.49 0.00 0.41 -1.61 0.00 0.00 178.31 177.37 2dit n GLY 51 N 1.27 -0.18 3.36 -1.45 0.00 0.26 -4.96 105.19 103.48 2dit n GLY 51 Ca -0.01 0.54 -0.17 0.00 0.00 0.00 0.00 46.02 46.38 2dit n GLY 51 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dit s GLN 52 N 1.74 1.77 -0.33 1.61 -0.21 -1.25 -4.53 119.66 118.46 2dit s GLN 52 Ca 0.00 -1.89 0.03 0.00 0.02 0.00 0.00 55.36 53.52 2dit s GLN 52 Cb 0.00 0.37 0.09 0.00 1.00 0.00 0.00 33.01 34.47 2dit s GLN 52 CO 0.00 -0.68 0.03 0.42 -2.12 0.00 0.00 175.29 172.93 2dit s ILE 53 N -3.35 2.35 0.47 1.08 -1.09 -1.26 -4.49 121.20 114.90 2dit s ILE 53 Ca 0.37 -2.16 0.15 0.00 -2.23 0.00 0.00 60.65 56.78 2dit s ILE 53 Cb 0.02 -2.65 0.21 0.00 -1.58 0.00 0.00 42.46 38.46 2dit s ILE 53 CO 0.24 -0.48 2.04 0.03 -1.23 0.00 0.00 174.94 175.54 2dit h ARG 54 N 7.68 0.00 -1.54 2.79 2.47 -1.87 -3.45 114.38 120.46 2dit h ARG 54 Ca -0.08 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.71 2dit h ARG 54 Cb 1.03 0.00 -0.27 0.00 -1.65 0.00 0.00 29.97 29.08 2dit h ARG 54 CO 0.52 0.13 0.50 0.21 0.56 0.00 0.00 179.97 181.89 2dit s LYS 55 N -4.76 0.46 -0.05 0.04 2.47 -1.25 -4.75 119.74 111.90 2dit s LYS 55 Ca -0.04 0.54 0.03 0.00 -1.56 0.00 0.00 55.97 54.93 2dit s LYS 55 Cb 0.16 0.22 0.01 0.00 -1.46 0.00 0.00 37.83 36.76 2dit s LYS 55 CO 0.69 -0.06 -0.11 -1.17 0.16 0.00 0.00 175.35 174.86 2dit s LEU 56 N 0.18 1.70 -0.09 5.43 2.96 -1.26 -0.08 118.68 127.51 2dit s LEU 56 Ca 0.04 -0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 53.66 2dit s LEU 56 Cb -0.05 -0.72 0.05 0.00 0.50 0.00 0.00 46.19 45.97 2dit s LEU 56 CO -0.07 0.05 0.16 -0.76 -1.32 0.00 0.00 176.35 174.42 2dit s LEU 57 N 0.44 -0.08 -0.34 -0.68 1.43 -0.94 -5.05 118.68 113.47 2dit s LEU 57 Ca -0.09 0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 53.20 2dit s LEU 57 Cb -0.13 0.29 -0.02 0.00 0.03 0.00 0.00 46.19 46.36 2dit s LEU 57 CO 0.02 -0.25 0.23 -0.22 0.23 0.00 0.00 176.35 176.36 2dit s LEU 58 N 2.30 4.47 -1.49 1.79 0.20 -1.26 -1.25 118.68 123.43 2dit s LEU 58 Ca 0.03 -0.45 -0.10 0.00 0.69 0.00 0.00 54.13 54.30 2dit s LEU 58 Cb -0.12 -2.12 0.01 0.00 -0.43 0.00 0.00 46.19 43.53 2dit s LEU 58 CO -0.06 -0.23 2.54 0.49 -0.29 0.00 0.00 176.35 178.80 2dit n PHE 59 N 5.09 2.81 0.03 5.38 3.72 -0.23 -4.70 117.46 129.56 2dit n PHE 59 Ca -0.13 -2.98 0.22 0.00 -0.05 0.00 0.00 57.45 54.51 2dit n PHE 59 Cb 0.50 -2.34 0.67 0.00 -0.94 0.00 0.00 39.48 37.37 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 5.29 0.00 0.49 4.37 3.04 -1.95 -0.88 116.42 126.79 2dit h ASP 60 Ca 0.71 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 54.48 2dit h ASP 60 Cb 0.42 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.71 2dit h ASP 60 CO 1.75 0.00 -0.27 0.03 -2.04 0.00 0.00 179.24 178.71 2dit h ARG 61 N 0.00 -0.68 -6.26 4.15 -0.00 -1.93 -3.35 114.38 106.31 2dit h ARG 61 Ca 0.26 0.05 -0.65 0.00 -0.50 0.00 0.00 59.98 59.13 2dit h ARG 61 Cb 1.52 0.15 0.02 0.00 0.00 0.00 0.00 29.97 31.66 2dit h ARG 61 CO -0.00 -0.45 1.00 1.58 0.00 0.00 0.00 179.97 182.09 2dit n HIS 62 N -5.40 2.22 0.46 3.04 -0.00 -0.33 -4.82 115.22 110.38 2dit n HIS 62 Ca -0.12 0.18 0.09 0.00 0.46 0.00 0.00 57.72 58.33 2dit n HIS 62 Cb 0.30 -2.59 0.37 0.00 -0.12 0.00 0.00 29.99 27.95 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 5.89 0.07 -1.17 1.57 -0.04 -1.26 -2.49 135.00 137.57 2dit n PRO 63 Ca 0.23 0.31 -0.18 0.00 -0.04 0.00 0.00 63.50 63.82 2dit n PRO 63 Cb 0.25 -1.63 0.22 0.00 -0.04 0.00 0.00 33.50 32.30 2dit n PRO 63 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2dit n ASP 64 N -1.76 4.08 -3.09 3.54 2.03 -1.26 -4.71 116.55 115.39 2dit n ASP 64 Ca 0.03 -3.50 -0.00 0.00 0.52 0.00 0.00 54.79 51.84 2dit n ASP 64 Cb 0.19 -0.81 -0.00 0.00 -0.72 0.00 0.00 41.12 39.77 2dit n ASP 64 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dit n GLY 65 N -0.85 -0.69 3.11 0.27 0.00 -1.04 -2.48 105.19 103.52 2dit n GLY 65 Ca 0.54 0.13 -0.28 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.79 1.52 0.05 1.61 1.01 -1.26 -2.28 120.40 120.25 2dit s VAL 66 Ca -0.01 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.29 2dit s VAL 66 Cb 0.00 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 2dit s VAL 66 CO 0.12 0.44 -0.10 0.00 0.00 0.00 0.00 175.10 175.56 2dit s ALA 67 N 0.46 0.79 -0.26 5.51 0.00 -1.10 -1.07 121.76 126.10 2dit s ALA 67 Ca -0.15 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.04 2dit s ALA 67 Cb -0.16 -0.03 0.07 0.00 0.00 0.00 0.00 23.12 22.99 2dit s ALA 67 CO 0.05 0.07 -0.04 -1.12 0.00 0.00 0.00 175.76 174.73 2dit s SER 68 N -1.44 4.14 -0.33 0.00 0.01 -0.38 -1.87 113.70 113.83 2dit s SER 68 Ca -0.05 -1.41 -0.10 0.00 1.31 0.00 0.00 55.95 55.70 2dit s SER 68 Cb -0.09 -1.31 0.00 0.00 0.21 0.00 0.00 66.02 64.84 2dit s SER 68 CO 0.01 -0.26 0.16 -0.69 0.41 0.00 0.00 173.24 172.87 2dit s VAL 69 N 1.27 4.54 0.42 3.43 1.01 -0.19 -2.22 120.40 128.66 2dit s VAL 69 Ca -0.03 -0.58 -0.22 0.00 0.00 0.00 0.00 61.98 61.15 2dit s VAL 69 Cb -0.19 -3.38 -0.10 0.00 0.00 0.00 0.00 36.38 32.71 2dit s VAL 69 CO -0.08 -0.02 0.98 -0.55 0.00 0.00 0.00 175.10 175.43 2dit s SER 70 N 1.59 6.87 0.08 3.32 0.15 0.88 -0.82 113.70 125.76 2dit s SER 70 Ca 0.04 1.83 0.06 0.00 0.70 0.00 0.00 55.95 58.57 2dit s SER 70 Cb -0.18 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.54 2dit s SER 70 CO 0.06 -0.41 -0.16 -0.36 1.20 0.00 0.00 173.24 173.57 2dit s PHE 71 N -1.94 1.39 -0.17 3.44 0.40 0.10 -2.96 117.98 118.24 2dit s PHE 71 Ca 0.60 -0.45 -0.24 0.00 -0.60 0.00 0.00 56.93 56.24 2dit s PHE 71 Cb -0.15 -0.77 -0.23 0.00 0.51 0.00 0.00 43.02 42.38 2dit s PHE 71 CO 0.19 0.10 0.49 -0.09 0.70 0.00 0.00 175.22 176.61 2dit h ARG 72 N 4.24 0.02 -6.09 0.44 9.65 -1.85 -3.44 114.38 117.35 2dit h ARG 72 Ca -0.42 -0.03 -0.67 0.00 -1.10 0.00 0.00 59.98 57.76 2dit h ARG 72 Cb 1.19 0.01 -0.13 0.00 -1.39 0.00 0.00 29.97 29.65 2dit h ARG 72 CO 0.40 1.02 -0.62 -0.51 2.80 0.00 0.00 179.97 183.05 2dit s ASP 73 N -6.59 5.28 0.21 -3.80 1.01 -1.26 -5.02 116.67 106.50 2dit s ASP 73 Ca -0.24 0.05 -0.02 0.00 0.71 0.00 0.00 52.55 53.05 2dit s ASP 73 Cb 0.02 -1.43 0.18 0.00 1.01 0.00 0.00 42.92 42.70 2dit s ASP 73 CO 0.65 0.29 1.57 1.55 0.21 0.00 0.00 175.17 179.44 2dit h PRO 74 N 4.41 0.58 0.08 8.23 0.13 -1.99 -3.06 132.00 140.37 2dit h PRO 74 Ca -0.49 -0.31 0.02 0.00 -0.87 0.00 0.00 66.00 64.35 2dit h PRO 74 Cb 1.18 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 2dit h PRO 74 CO 0.58 0.90 -0.45 0.93 -0.23 0.00 0.00 178.00 179.73 2dit h GLU 75 N 0.47 -0.63 0.44 0.86 3.07 -1.97 0.53 114.58 117.35 2dit h GLU 75 Ca 0.03 0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.92 2dit h GLU 75 Cb 0.95 0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 29.00 2dit h GLU 75 CO 0.08 -0.42 -0.28 0.93 -1.40 0.00 0.00 179.01 177.92 2dit h GLU 76 N -0.66 -0.65 -0.18 2.33 3.07 -1.93 -1.31 114.58 115.25 2dit h GLU 76 Ca 0.02 0.04 0.03 0.00 -0.50 0.00 0.00 59.36 58.95 2dit h GLU 76 Cb 0.70 0.15 -0.05 0.00 -0.84 0.00 0.00 28.75 28.71 2dit h GLU 76 CO -0.28 -0.44 -0.37 0.00 -1.40 0.00 0.00 179.01 176.52 2dit h ALA 77 N -1.48 -0.68 -0.28 3.43 0.00 -1.48 1.37 119.26 120.14 2dit h ALA 77 Ca -0.06 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.91 2dit h ALA 77 Cb 0.55 0.92 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 2dit h ALA 77 CO 0.05 -0.84 0.60 0.22 0.00 0.00 0.00 179.25 179.29 2dit h ASP 78 N -0.33 0.00 0.26 0.00 3.58 0.03 1.09 116.42 121.06 2dit h ASP 78 Ca 0.03 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.43 2dit h ASP 78 Cb 0.43 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 2dit h ASP 78 CO -0.34 0.00 -1.79 0.00 -2.88 0.00 0.00 179.24 174.23 2dit n TYR 79 N -3.14 0.28 0.07 0.28 9.36 0.14 -4.22 117.16 119.92 2dit n TYR 79 Ca 0.05 0.09 -0.04 0.00 3.32 0.00 0.00 57.90 61.32 2dit n TYR 79 Cb 0.72 -0.70 -0.07 0.00 -0.63 0.00 0.00 39.34 38.66 2dit n TYR 79 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2dit h ILE 81 N 0.00 0.50 0.00 0.00 -0.00 -1.01 0.70 117.51 117.70 2dit h ILE 81 Ca -0.07 -0.96 -0.22 0.00 -0.00 0.00 0.00 64.86 63.62 2dit h ILE 81 Cb 1.67 1.66 -0.04 0.00 -0.00 0.00 0.00 36.82 40.11 2dit h ILE 81 CO 0.09 0.18 -1.59 0.00 -0.00 0.00 0.00 178.15 176.83 2dit n GLN 82 N -3.40 0.63 0.01 0.16 10.64 -1.23 -3.10 117.38 121.09 2dit n GLN 82 Ca -0.00 0.23 0.01 0.00 -1.83 0.00 0.00 57.00 55.41 2dit n GLN 82 Cb 0.38 -1.78 -0.10 0.00 -0.86 0.00 0.00 30.24 27.88 2dit n GLN 82 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 2dit n THR 83 N -2.93 0.99 1.14 -0.39 -1.04 -1.10 -4.01 114.28 106.93 2dit n THR 83 Ca -0.14 -0.68 0.12 0.00 -2.04 0.00 0.00 64.05 61.32 2dit n THR 83 Cb 0.93 -0.54 0.28 0.00 -1.82 0.00 0.00 70.33 69.18 2dit n THR 83 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2dit n LEU 84 N -2.75 0.96 0.00 -4.42 4.77 0.24 -3.90 117.00 111.90 2dit n LEU 84 Ca -0.12 -0.24 0.06 0.00 -0.03 0.00 0.00 56.01 55.68 2dit n LEU 84 Cb 0.83 -0.14 0.27 0.00 -2.33 0.00 0.00 43.42 42.04 2dit n LEU 84 CO 0.43 0.19 0.66 -0.90 -1.33 0.00 0.00 177.39 176.44 2dit n ASP 85 N -0.90 0.00 0.00 -1.43 5.75 -1.18 -2.03 116.55 116.76 2dit n ASP 85 Ca 0.09 0.31 0.00 0.00 -0.01 0.00 0.00 54.79 55.18 2dit n ASP 85 Cb 0.35 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 2dit n ASP 85 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dit n GLY 86 N -0.31 -0.32 3.42 6.12 0.00 -1.15 -3.95 105.19 109.00 2dit n GLY 86 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2dit n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dit n ARG 87 N -0.11 -0.89 -4.27 1.61 5.12 -0.86 -4.51 116.66 112.74 2dit n ARG 87 Ca 0.00 -0.22 -0.27 0.00 -1.93 0.00 0.00 57.85 55.43 2dit n ARG 87 Cb 0.09 -1.92 -0.17 0.00 -1.16 0.00 0.00 32.46 29.31 2dit n ARG 87 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2dit s TRP 88 N -2.39 1.67 -0.02 -1.55 0.52 -1.26 0.86 118.94 116.78 2dit s TRP 88 Ca 0.59 -0.77 0.06 0.00 0.02 0.00 0.00 56.10 56.00 2dit s TRP 88 Cb -0.19 -1.27 -0.01 0.00 -1.15 0.00 0.00 33.47 30.84 2dit s TRP 88 CO 0.66 -0.45 -0.20 -0.06 0.02 0.00 0.00 176.95 176.92 2dit s PHE 89 N 1.17 1.79 0.00 -1.98 0.40 0.35 -4.68 117.98 115.04 2dit s PHE 89 Ca -0.04 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 2dit s PHE 89 Cb -0.14 -1.16 0.00 0.00 0.51 0.00 0.00 43.02 42.23 2dit s PHE 89 CO -0.03 -0.05 0.00 0.41 0.70 0.00 0.00 175.22 176.25 2dit n GLY 90 N 2.67 0.05 0.00 4.36 0.00 -1.26 -1.05 105.19 109.96 2dit n GLY 90 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.34 2.72 3.92 -0.02 0.00 -1.26 -5.09 105.19 105.11 2dit n GLY 91 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2dit n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dit s ARG 92 N -0.39 2.81 0.60 1.61 0.52 -0.21 -5.05 118.95 118.84 2dit s ARG 92 Ca 0.00 -1.26 -0.09 0.00 -0.52 0.00 0.00 55.73 53.86 2dit s ARG 92 Cb 0.00 -2.60 -0.02 0.00 0.52 0.00 0.00 34.95 32.85 2dit s ARG 92 CO 0.00 -0.03 0.96 -1.14 0.02 0.00 0.00 175.30 175.12 2dit s GLN 93 N -4.13 3.33 0.03 3.54 0.74 -1.26 0.13 119.66 122.03 2dit s GLN 93 Ca 0.46 0.44 -0.01 0.00 0.05 0.00 0.00 55.36 56.29 2dit s GLN 93 Cb -0.07 -2.17 -0.02 0.00 1.10 0.00 0.00 33.01 31.85 2dit s GLN 93 CO 0.29 -0.60 -0.01 0.96 -0.55 0.00 0.00 175.29 175.38 2dit s ILE 94 N -3.08 0.13 0.20 -2.34 -4.36 0.25 -4.62 121.20 107.38 2dit s ILE 94 Ca 0.54 -1.07 0.06 0.00 -0.26 0.00 0.00 60.65 59.92 2dit s ILE 94 Cb -0.11 -0.54 -0.04 0.00 1.25 0.00 0.00 42.46 43.02 2dit s ILE 94 CO 0.50 -0.59 0.15 0.28 0.24 0.00 0.00 174.94 175.52 2dit s THR 95 N -1.98 4.41 0.09 8.37 -1.32 -1.15 -2.94 115.64 121.11 2dit s THR 95 Ca -0.11 -1.24 0.04 0.00 -1.21 0.00 0.00 61.69 59.17 2dit s THR 95 Cb -0.06 -3.30 -0.03 0.00 -1.51 0.00 0.00 72.50 67.60 2dit s THR 95 CO -0.03 -0.21 -0.12 0.00 -2.21 0.00 0.00 174.62 172.06 2dit s ALA 96 N -1.91 1.15 0.06 11.08 0.00 -1.26 -2.98 121.76 127.89 2dit s ALA 96 Ca 0.31 -1.11 -0.27 0.00 0.00 0.00 0.00 51.96 50.89 2dit s ALA 96 Cb -0.09 -0.02 0.09 0.00 0.00 0.00 0.00 23.12 23.09 2dit s ALA 96 CO 0.24 0.05 0.93 1.14 0.00 0.00 0.00 175.76 178.11 2dit s GLN 97 N -2.36 0.96 -0.21 0.00 0.00 -1.00 -4.72 119.66 112.33 2dit s GLN 97 Ca 0.02 -0.44 -0.16 0.00 -0.00 0.00 0.00 55.36 54.78 2dit s GLN 97 Cb -0.06 0.38 -0.04 0.00 0.00 0.00 0.00 33.01 33.30 2dit s GLN 97 CO 0.01 -0.43 0.42 0.00 0.00 0.00 0.00 175.29 175.29 2dit s ALA 98 N -3.17 3.56 0.66 2.60 0.00 -1.26 -0.70 121.76 123.45 2dit s ALA 98 Ca 0.08 -0.54 -0.11 0.00 0.00 0.00 0.00 51.96 51.39 2dit s ALA 98 Cb -0.01 -2.68 -0.01 0.00 0.00 0.00 0.00 23.12 20.42 2dit s ALA 98 CO -0.04 -0.38 1.05 -0.46 0.00 0.00 0.00 175.76 175.93 2dit s TRP 99 N 1.48 3.35 -0.00 0.00 -0.00 0.92 -4.93 118.94 119.76 2dit s TRP 99 Ca 0.19 1.33 -0.01 0.00 -0.00 0.00 0.00 56.10 57.62 2dit s TRP 99 Cb -0.15 -2.82 -0.00 0.00 -0.00 0.00 0.00 33.47 30.49 2dit s TRP 99 CO 0.08 -1.00 -0.03 -0.25 -0.00 0.00 0.00 176.95 175.75 2dit n ASP 100 N -2.96 0.30 0.00 5.86 9.92 -1.26 -4.64 116.55 123.76 2dit n ASP 100 Ca 0.07 0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 2dit n ASP 100 Cb 0.54 -0.26 0.00 0.00 -0.64 0.00 0.00 41.12 40.76 2dit n ASP 100 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dit n GLY 101 N 2.71 -0.38 0.14 0.44 0.00 -1.26 -4.86 105.19 101.98 2dit n GLY 101 Ca -0.01 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.26 2.61 5.66 -1.26 -5.09 114.28 114.94 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 -0.27 0.10 0.00 -1.55 0.00 0.00 70.33 68.61 2dit n THR 102 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 2dit n THR 103 N -1.99 2.52 -1.27 1.09 5.66 -1.26 -4.94 114.28 114.08 2dit n THR 103 Ca 0.00 -0.31 0.05 0.00 -3.05 0.00 0.00 64.05 60.74 2dit n THR 103 Cb 0.21 -1.14 0.20 0.00 -1.55 0.00 0.00 70.33 68.05 2dit n THR 103 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2dit n ASP 104 N -2.25 2.60 0.01 1.09 5.75 -1.26 -4.66 116.55 117.82 2dit n ASP 104 Ca 0.13 -3.44 -0.14 0.00 -0.01 0.00 0.00 54.79 51.33 2dit n ASP 104 Cb 0.50 -0.53 -0.09 0.00 -1.03 0.00 0.00 41.12 39.97 2dit n ASP 104 CO 0.00 0.00 0.00 1.88 -0.11 0.00 0.00 177.20 178.97 2dit h TYR 105 N 0.90 -1.48 0.00 2.11 0.05 -1.99 -3.34 116.97 113.21 2dit h TYR 105 Ca 0.06 0.05 -0.26 0.00 0.05 0.00 0.00 58.73 58.63 2dit h TYR 105 Cb 1.28 0.66 -0.05 0.00 1.01 0.00 0.00 36.73 39.63 2dit h TYR 105 CO 0.56 -0.53 -1.99 0.00 -1.05 0.00 0.00 178.16 175.14 2dit n GLN 106 N -5.44 0.80 -1.35 4.88 -0.00 -1.26 -5.02 117.38 109.98 2dit n GLN 106 Ca -0.06 0.07 -0.38 0.00 -0.00 0.00 0.00 57.00 56.64 2dit n GLN 106 Cb 0.38 -1.35 0.04 0.00 -0.00 0.00 0.00 30.24 29.30 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 -2.88 -1.98 -0.44 2.61 2.88 -1.25 -5.00 113.62 107.56 2dit n SER 107 Ca -0.29 0.67 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 2dit n SER 107 Cb 0.86 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 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 2.02 1.57 3.64 0.46 0.00 -1.26 -4.86 105.19 106.76 2dit n GLY 108 Ca 0.10 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.88 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 2.74 -0.24 0.00 1.61 0.04 -1.26 -5.06 135.00 132.84 2dit s PRO 109 Ca 0.00 0.29 -0.12 0.00 0.04 0.00 0.00 61.00 61.21 2dit s PRO 109 Cb 0.00 -1.68 0.01 0.00 0.04 0.00 0.00 34.50 32.88 2dit s PRO 109 CO 0.00 -3.13 0.25 0.45 0.04 0.00 0.00 177.00 174.61 2dit s SER 110 N -3.60 -0.10 -0.01 6.66 0.15 -1.26 -5.17 113.70 110.38 2dit s SER 110 Ca 0.67 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 57.25 2dit s SER 110 Cb -0.16 0.28 0.02 0.00 -1.71 0.00 0.00 66.02 64.45 2dit s SER 110 CO 0.57 -0.45 0.01 -0.44 1.20 0.00 0.00 173.24 174.13 2dit s SER 111 N -1.50 0.11 0.00 5.45 0.01 -1.26 -5.36 113.70 111.14 2dit s SER 111 Ca -0.12 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2dit s SER 111 Cb -0.05 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.12 2dit s SER 111 CO 0.02 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.21