#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 0.12 -0.18 1.61 0.01 -1.26 -5.08 113.70 108.92 2dit s SER 2 Ca 0.00 -0.54 -0.10 0.00 1.31 0.00 0.00 55.95 56.63 2dit s SER 2 Cb 0.00 0.29 -0.08 0.00 0.21 0.00 0.00 66.02 66.44 2dit s SER 2 CO 0.00 -0.61 -0.24 -1.54 0.41 0.00 0.00 173.24 171.26 2dit n SER 3 N 0.40 1.36 -4.27 2.44 3.41 -1.26 -4.78 113.62 110.92 2dit n SER 3 Ca -0.17 0.23 -0.43 0.00 -0.26 0.00 0.00 58.87 58.24 2dit n SER 3 Cb 0.60 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 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 1.85 3.77 0.40 5.00 0.00 -1.26 -4.84 105.19 110.10 2dit n GLY 4 Ca -0.34 -1.98 -0.11 0.00 0.00 0.00 0.00 46.02 43.59 2dit n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dit h SER 5 N 6.70 -1.40 0.12 1.61 0.02 -1.87 -3.10 113.55 115.63 2dit h SER 5 Ca 0.36 0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.51 2dit h SER 5 Cb 0.79 0.60 0.00 0.00 0.14 0.00 0.00 62.40 63.93 2dit h SER 5 CO 1.40 -0.39 -0.06 0.77 -1.14 0.00 0.00 176.83 177.42 2dit h SER 6 N -0.38 -0.13 -2.26 3.07 4.64 -1.99 -3.32 113.55 113.18 2dit h SER 6 Ca 0.12 -0.37 -0.52 0.00 -0.47 0.00 0.00 61.79 60.54 2dit h SER 6 Cb 0.60 0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.69 2dit h SER 6 CO -0.52 0.48 1.31 -0.83 -0.87 0.00 0.00 176.83 176.41 2dit s GLY 7 N -3.48 0.42 -0.36 -0.77 0.00 -1.17 -4.15 107.32 97.82 2dit s GLY 7 Ca -0.11 -0.37 -0.23 0.00 0.00 0.00 0.00 44.72 44.01 2dit s GLY 7 CO 0.40 3.33 0.48 0.61 0.00 0.00 0.00 173.10 177.92 2dit n GLY 8 N 5.58 -0.72 0.25 0.20 0.00 -1.26 -4.50 105.19 104.75 2dit n GLY 8 Ca 0.21 0.94 -0.13 0.00 0.00 0.00 0.00 46.02 47.04 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 2.40 0.89 -1.78 1.61 0.13 -1.66 -3.44 132.00 130.15 2dit h PRO 9 Ca -0.26 -0.47 0.08 0.00 -0.87 0.00 0.00 66.00 64.47 2dit h PRO 9 Cb 1.09 0.02 -0.22 0.00 0.13 0.00 0.00 31.00 32.01 2dit h PRO 9 CO 0.17 1.11 0.08 0.45 -0.23 0.00 0.00 178.00 179.59 2dit s SER 10 N -6.76 -0.86 0.50 1.44 0.15 -1.26 -4.97 113.70 101.93 2dit s SER 10 Ca -0.11 1.30 -0.19 0.00 0.70 0.00 0.00 55.95 57.64 2dit s SER 10 Cb 0.11 1.63 -0.13 0.00 -1.71 0.00 0.00 66.02 65.92 2dit s SER 10 CO 0.87 -0.19 0.14 -2.11 1.20 0.00 0.00 173.24 173.15 2dit n ARG 11 N 4.58 0.19 -3.49 5.44 0.00 -1.26 -4.91 116.66 117.21 2dit n ARG 11 Ca -0.16 0.07 -0.38 0.00 -0.00 0.00 0.00 57.85 57.38 2dit n ARG 11 Cb 0.55 -1.24 -0.10 0.00 -0.00 0.00 0.00 32.46 31.67 2dit n ARG 11 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 2dit s MET 12 N -1.36 3.99 -1.01 2.89 -1.94 -1.26 -4.99 119.30 115.62 2dit s MET 12 Ca 0.61 -0.13 -0.01 0.00 -1.71 0.00 0.00 55.69 54.45 2dit s MET 12 Cb -0.51 -3.65 0.32 0.00 2.01 0.00 0.00 34.83 33.00 2dit s MET 12 CO 0.62 -0.21 1.79 -2.13 -0.01 0.00 0.00 175.02 175.07 2dit n ARG 13 N 5.14 5.35 -3.34 2.03 3.00 -1.26 -4.95 116.66 122.63 2dit n ARG 13 Ca -0.11 -4.68 -0.09 0.00 -0.00 0.00 0.00 57.85 52.97 2dit n ARG 13 Cb 0.51 -2.46 0.01 0.00 0.00 0.00 0.00 32.46 30.52 2dit n ARG 13 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 2dit n HIS 14 N -0.04 -1.87 -3.03 -0.14 1.44 -1.26 -5.11 115.22 105.20 2dit n HIS 14 Ca 0.46 -1.64 -0.44 0.00 -2.01 0.00 0.00 57.72 54.09 2dit n HIS 14 Cb 0.27 0.67 -0.04 0.00 0.12 0.00 0.00 29.99 31.00 2dit n HIS 14 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2dit s GLU 15 N -2.24 3.14 0.00 -1.40 2.02 -1.26 -4.75 118.70 114.20 2dit s GLU 15 Ca 0.16 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 53.88 2dit s GLU 15 Cb -0.03 -4.32 0.00 0.00 0.10 0.00 0.00 34.13 29.87 2dit s GLU 15 CO 0.12 -1.63 0.00 2.89 0.02 0.00 0.00 175.26 176.66 2dit n ARG 16 N 6.64 5.72 -4.49 1.61 0.00 -1.26 -4.59 116.66 120.29 2dit n ARG 16 Ca -0.04 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.47 2dit n ARG 16 Cb 0.44 -0.55 -0.11 0.00 -0.00 0.00 0.00 32.46 32.24 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 -1.09 3.88 0.05 8.89 1.01 -1.26 0.62 120.40 132.50 2dit s VAL 17 Ca 0.00 -0.39 0.09 0.00 0.00 0.00 0.00 61.98 61.68 2dit s VAL 17 Cb 0.00 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 2dit s VAL 17 CO 0.00 0.55 -0.26 0.68 0.00 0.00 0.00 175.10 176.07 2dit s VAL 18 N -0.28 2.17 0.09 2.92 -7.23 -0.78 -1.41 120.40 115.87 2dit s VAL 18 Ca 0.05 -1.41 0.05 0.00 -1.81 0.00 0.00 61.98 58.85 2dit s VAL 18 Cb -0.13 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 2dit s VAL 18 CO 0.02 0.34 0.01 -0.63 -0.31 0.00 0.00 175.10 174.53 2dit s ILE 19 N -0.83 4.06 -0.01 -0.62 -1.09 0.38 -1.85 121.20 121.23 2dit s ILE 19 Ca 0.12 -0.96 0.04 0.00 -2.23 0.00 0.00 60.65 57.62 2dit s ILE 19 Cb -0.10 -2.93 -0.01 0.00 -1.58 0.00 0.00 42.46 37.84 2dit s ILE 19 CO 0.02 0.13 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.11 2dit s ILE 20 N -1.31 0.94 0.11 2.92 -1.09 -1.16 -2.40 121.20 119.20 2dit s ILE 20 Ca 0.26 -0.51 0.10 0.00 -2.23 0.00 0.00 60.65 58.28 2dit s ILE 20 Cb -0.12 -0.78 -0.04 0.00 -1.58 0.00 0.00 42.46 39.94 2dit s ILE 20 CO 0.18 0.27 -0.26 -0.54 -1.23 0.00 0.00 174.94 173.36 2dit s LYS 21 N -0.27 1.47 -1.13 2.79 -0.14 -1.17 -3.10 119.74 118.20 2dit s LYS 21 Ca 0.04 -1.27 -0.03 0.00 -1.36 0.00 0.00 55.97 53.35 2dit s LYS 21 Cb -0.05 -1.87 -0.03 0.00 -1.68 0.00 0.00 37.83 34.20 2dit s LYS 21 CO -0.00 0.45 0.95 -1.71 -0.76 0.00 0.00 175.35 174.28 2dit n ASN 22 N 1.14 -4.30 0.00 2.83 5.15 0.43 -3.43 115.26 117.07 2dit n ASN 22 Ca -0.18 -0.67 0.00 0.00 -0.60 0.00 0.00 54.58 53.13 2dit n ASN 22 Cb 0.53 -5.14 0.00 0.00 -0.53 0.00 0.00 39.78 34.64 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 -3.70 1.28 -3.81 1.20 0.00 -1.25 -4.37 117.12 106.46 2dit n MET 23 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 57.70 57.44 2dit n MET 23 Cb 0.65 -0.90 0.03 0.00 0.00 0.00 0.00 33.22 32.99 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 -1.75 0.14 -0.06 3.17 -0.12 -1.26 -4.43 117.98 113.68 2dit s PHE 24 Ca 0.00 -0.80 -0.06 0.00 -0.05 0.00 0.00 56.93 56.02 2dit s PHE 24 Cb 0.00 0.83 0.01 0.00 -0.63 0.00 0.00 43.02 43.24 2dit s PHE 24 CO 0.00 -1.52 0.17 -1.58 -0.05 0.00 0.00 175.22 172.25 2dit s HIS 25 N -2.16 -0.16 0.09 3.49 2.46 -1.26 -3.06 115.29 114.69 2dit s HIS 25 Ca 0.17 0.38 -0.16 0.00 0.47 0.00 0.00 55.06 55.92 2dit s HIS 25 Cb -0.05 0.05 -0.09 0.00 -0.13 0.00 0.00 32.58 32.36 2dit s HIS 25 CO 0.11 -0.13 1.41 -1.00 -2.47 0.00 0.00 174.74 172.66 2dit h PRO 26 N 5.60 0.65 0.00 2.88 0.13 -1.79 -2.82 132.00 136.66 2dit h PRO 26 Ca -0.26 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2dit h PRO 26 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dit h PRO 26 CO 0.40 0.95 0.00 -1.33 -0.23 0.00 0.00 178.00 177.79 2dit n MET 27 N -4.31 0.09 -0.00 0.86 2.81 -1.26 -1.98 117.12 113.33 2dit n MET 27 Ca -0.04 0.23 -0.22 0.00 -1.81 0.00 0.00 57.70 55.86 2dit n MET 27 Cb 0.45 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.33 2dit n MET 27 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2dit h ASP 28 N 0.00 0.38 0.35 7.83 5.19 -1.89 -3.36 116.42 124.91 2dit h ASP 28 Ca 0.00 -0.88 -0.04 0.00 -0.62 0.00 0.00 57.03 55.49 2dit h ASP 28 Cb 0.07 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 2dit h ASP 28 CO 0.00 1.79 -0.18 -0.26 -3.12 0.00 0.00 179.24 177.46 2dit h PHE 29 N -0.11 0.00 0.00 4.55 0.04 -1.41 -1.63 116.94 118.38 2dit h PHE 29 Ca -0.40 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.37 2dit h PHE 29 Cb 1.92 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.07 2dit h PHE 29 CO 0.09 0.18 0.00 0.39 -0.60 0.00 0.00 178.31 178.37 2dit n GLU 30 N -3.87 0.12 -0.08 1.51 1.02 -1.17 -2.10 120.64 116.07 2dit n GLU 30 Ca -0.02 0.45 -0.06 0.00 -0.02 0.00 0.00 57.16 57.51 2dit n GLU 30 Cb 0.28 -1.77 -0.15 0.00 -0.02 0.00 0.00 31.44 29.77 2dit n GLU 30 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2dit n ASP 31 N -2.01 0.43 -3.64 1.62 2.03 -0.63 -5.02 116.55 109.33 2dit n ASP 31 Ca 0.01 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.26 2dit n ASP 31 Cb 0.14 1.12 -0.07 0.00 -0.72 0.00 0.00 41.12 41.59 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 -5.12 -0.35 0.23 1.67 1.01 -0.89 -5.05 116.67 108.16 2dit s ASP 32 Ca -0.09 0.66 -0.01 0.00 0.71 0.00 0.00 52.55 53.83 2dit s ASP 32 Cb 0.07 0.74 0.23 0.00 1.01 0.00 0.00 42.92 44.97 2dit s ASP 32 CO 0.77 -0.11 1.59 1.55 0.21 0.00 0.00 175.17 179.18 2dit h PRO 33 N 4.20 0.51 -0.98 8.23 0.13 -1.88 -3.24 132.00 138.97 2dit h PRO 33 Ca -0.28 -0.27 0.22 0.00 -0.87 0.00 0.00 66.00 64.80 2dit h PRO 33 Cb 1.18 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 32.14 2dit h PRO 33 CO 0.14 0.85 -0.15 -0.07 -0.23 0.00 0.00 178.00 178.54 2dit h LEU 34 N 0.42 -0.76 -0.76 1.56 -0.00 -1.96 0.14 115.31 113.95 2dit h LEU 34 Ca 0.03 0.29 0.10 0.00 -0.00 0.00 0.00 57.88 58.30 2dit h LEU 34 Cb 0.93 0.56 -0.12 0.00 -0.00 0.00 0.00 40.66 42.03 2dit h LEU 34 CO 0.08 -0.33 -0.47 0.58 -0.00 0.00 0.00 178.44 178.30 2dit h VAL 35 N 0.00 0.04 -0.39 1.22 2.07 -1.91 0.40 116.25 117.69 2dit h VAL 35 Ca 0.51 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.96 2dit h VAL 35 Cb 0.89 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2dit h VAL 35 CO -0.97 0.00 -0.07 0.25 0.02 0.00 0.00 177.57 176.80 2dit h LEU 36 N -0.14 0.64 0.71 2.57 5.85 -1.00 -1.78 115.31 122.17 2dit h LEU 36 Ca 0.20 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 2dit h LEU 36 Cb 0.54 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.40 2dit h LEU 36 CO -0.81 0.75 -0.34 0.78 -0.34 0.00 0.00 178.44 178.48 2dit h ASN 37 N 0.61 -0.81 -0.90 1.25 2.35 0.80 0.22 115.58 119.09 2dit h ASN 37 Ca 0.12 0.03 0.10 0.00 -0.55 0.00 0.00 56.30 55.99 2dit h ASN 37 Cb 0.48 0.21 -0.08 0.00 0.05 0.00 0.00 38.32 38.99 2dit h ASN 37 CO 0.03 -0.58 0.54 1.05 -1.65 0.00 0.00 177.43 176.82 2dit h GLU 38 N -0.96 0.87 0.51 0.81 4.11 -0.42 -1.30 114.58 118.19 2dit h GLU 38 Ca -0.10 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.25 2dit h GLU 38 Cb 0.74 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2dit h GLU 38 CO 0.16 0.58 -0.24 0.82 0.07 0.00 0.00 179.01 180.39 2dit h ILE 39 N 0.90 0.49 0.20 -1.06 2.04 -1.21 0.39 117.51 119.25 2dit h ILE 39 Ca 0.44 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 66.18 2dit h ILE 39 Cb 0.39 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 2dit h ILE 39 CO -0.25 0.02 -0.48 -0.09 0.00 0.00 0.00 178.15 177.35 2dit h ARG 40 N -0.76 -0.74 -0.82 2.37 2.43 -0.18 -1.26 114.38 115.43 2dit h ARG 40 Ca -0.07 0.05 0.12 0.00 -0.81 0.00 0.00 59.98 59.27 2dit h ARG 40 Cb 0.56 0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 30.22 2dit h ARG 40 CO 0.11 -0.49 0.53 1.05 -1.51 0.00 0.00 179.97 179.67 2dit h GLU 41 N -0.76 0.64 -0.68 0.20 4.11 -1.27 -1.01 114.58 115.81 2dit h GLU 41 Ca -0.01 -0.04 0.02 0.00 0.07 0.00 0.00 59.36 59.40 2dit h GLU 41 Cb 0.75 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 2dit h GLU 41 CO -0.23 0.42 0.44 -0.44 0.07 0.00 0.00 179.01 179.28 2dit h ASP 42 N 0.66 0.75 0.21 3.06 3.32 0.17 0.72 116.42 125.30 2dit h ASP 42 Ca 0.39 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.37 2dit h ASP 42 Cb 0.61 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2dit h ASP 42 CO -0.16 0.53 -0.26 -0.07 -1.72 0.00 0.00 179.24 177.57 2dit h LEU 43 N 0.89 0.09 -0.07 1.55 3.38 -0.15 0.14 115.31 121.13 2dit h LEU 43 Ca 0.26 -0.02 -0.24 0.00 0.09 0.00 0.00 57.88 57.96 2dit h LEU 43 Cb -0.06 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2dit h LEU 43 CO -0.07 0.35 -1.05 0.03 0.09 0.00 0.00 178.44 177.79 2dit h ARG 44 N 0.09 0.35 0.00 1.13 3.08 -0.91 -2.22 114.38 115.90 2dit h ARG 44 Ca 0.01 -0.44 -0.10 0.00 0.07 0.00 0.00 59.98 59.52 2dit h ARG 44 Cb 0.50 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 2dit h ARG 44 CO 0.04 1.14 -0.51 -0.39 -1.07 0.00 0.00 179.97 179.17 2dit h VAL 45 N 0.17 0.84 0.05 2.04 -1.51 -0.56 -2.68 116.25 114.59 2dit h VAL 45 Ca -0.10 -2.19 -0.08 0.00 -1.23 0.00 0.00 66.70 63.10 2dit h VAL 45 Cb 1.71 2.41 0.01 0.00 -2.13 0.00 0.00 31.29 33.29 2dit h VAL 45 CO 0.18 0.48 -0.36 1.05 -1.23 0.00 0.00 177.57 177.68 2dit h GLU 46 N 0.00 0.15 0.00 5.19 4.11 -0.75 -3.16 114.58 120.11 2dit h GLU 46 Ca -0.01 -0.23 0.00 0.00 0.07 0.00 0.00 59.36 59.19 2dit h GLU 46 Cb 1.38 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.72 2dit h GLU 46 CO 0.06 1.08 0.00 0.00 0.07 0.00 0.00 179.01 180.23 2dit h SER 48 N 0.00 0.00 -0.96 0.00 0.87 -1.53 -3.32 113.55 108.61 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 0.46 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.28 2dit h SER 48 CO 0.00 0.61 0.47 0.11 -0.53 0.00 0.00 176.83 177.49 2dit h LYS 49 N 0.00 0.35 0.02 2.24 1.79 -1.46 0.48 116.57 120.00 2dit h LYS 49 Ca -0.04 -0.02 -0.21 0.00 -2.18 0.00 0.00 60.65 58.20 2dit h LYS 49 Cb 1.51 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 32.06 2dit h LYS 49 CO 0.07 0.23 -0.97 0.74 -1.08 0.00 0.00 179.45 178.44 2dit h PHE 50 N 0.36 0.15 0.00 -1.35 -1.00 -1.77 -3.48 116.94 109.86 2dit h PHE 50 Ca 0.65 -0.10 0.00 0.00 2.81 0.00 0.00 57.97 61.33 2dit h PHE 50 Cb 1.35 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.90 2dit h PHE 50 CO -0.09 1.00 0.00 0.41 -1.61 0.00 0.00 178.31 178.03 2dit n GLY 51 N 1.16 -1.43 2.98 -1.45 0.00 0.17 -5.05 105.19 101.56 2dit n GLY 51 Ca -0.02 0.65 -0.13 0.00 0.00 0.00 0.00 46.02 46.51 2dit n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dit n GLN 52 N 0.00 0.61 -3.96 1.61 10.64 -1.25 -4.69 117.38 120.34 2dit n GLN 52 Ca 0.00 -2.52 -0.30 0.00 -1.83 0.00 0.00 57.00 52.34 2dit n GLN 52 Cb 0.00 2.40 -0.14 0.00 -0.86 0.00 0.00 30.24 31.64 2dit n GLN 52 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 2dit s ILE 53 N -2.80 2.40 0.34 -0.39 -1.09 -1.26 -4.40 121.20 114.00 2dit s ILE 53 Ca 0.26 -2.90 0.09 0.00 -2.23 0.00 0.00 60.65 55.87 2dit s ILE 53 Cb -0.01 -2.71 0.32 0.00 -1.58 0.00 0.00 42.46 38.49 2dit s ILE 53 CO 0.19 -0.73 1.82 0.03 -1.23 0.00 0.00 174.94 175.03 2dit h ARG 54 N 6.95 0.68 -1.50 2.79 2.47 -1.86 -3.44 114.38 120.46 2dit h ARG 54 Ca -0.06 -0.04 0.10 0.00 -1.26 0.00 0.00 59.98 58.71 2dit h ARG 54 Cb 0.94 -0.15 -0.25 0.00 -1.65 0.00 0.00 29.97 28.86 2dit h ARG 54 CO 0.62 0.45 0.58 0.21 0.56 0.00 0.00 179.97 182.38 2dit s LYS 55 N -5.73 0.50 0.01 0.04 2.36 -1.22 -4.99 119.74 110.71 2dit s LYS 55 Ca -0.10 0.24 0.04 0.00 -2.55 0.00 0.00 55.97 53.59 2dit s LYS 55 Cb 0.23 0.24 -0.01 0.00 -1.05 0.00 0.00 37.83 37.24 2dit s LYS 55 CO 0.80 -0.13 -0.12 -1.17 1.55 0.00 0.00 175.35 176.27 2dit s LEU 56 N -0.73 2.09 -0.21 5.43 2.96 -1.26 0.20 118.68 127.16 2dit s LEU 56 Ca 0.01 -0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 53.56 2dit s LEU 56 Cb -0.02 -0.57 0.09 0.00 0.50 0.00 0.00 46.19 46.19 2dit s LEU 56 CO -0.02 0.08 0.19 -0.76 -1.32 0.00 0.00 176.35 174.53 2dit s LEU 57 N -0.65 0.04 -0.37 -0.68 1.43 -0.09 -5.00 118.68 113.34 2dit s LEU 57 Ca 0.03 -0.45 -0.19 0.00 -1.03 0.00 0.00 54.13 52.49 2dit s LEU 57 Cb -0.06 0.19 0.00 0.00 0.03 0.00 0.00 46.19 46.36 2dit s LEU 57 CO 0.00 -0.35 0.54 -0.22 0.23 0.00 0.00 176.35 176.55 2dit s LEU 58 N 2.27 4.42 -1.31 1.79 0.20 -1.26 0.02 118.68 124.81 2dit s LEU 58 Ca 0.06 -0.13 -0.11 0.00 0.69 0.00 0.00 54.13 54.65 2dit s LEU 58 Cb -0.16 -2.61 0.14 0.00 -0.43 0.00 0.00 46.19 43.14 2dit s LEU 58 CO -0.16 -0.55 1.91 0.49 -0.29 0.00 0.00 176.35 177.75 2dit n PHE 59 N 5.84 3.23 0.12 5.38 3.72 -0.26 -4.75 117.46 130.74 2dit n PHE 59 Ca -0.04 -2.87 0.06 0.00 -0.05 0.00 0.00 57.45 54.55 2dit n PHE 59 Cb 0.49 -2.09 0.33 0.00 -0.94 0.00 0.00 39.48 37.26 2dit n PHE 59 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2dit n ASP 60 N 4.51 0.31 0.08 4.37 5.75 -1.26 -1.60 116.55 128.70 2dit n ASP 60 Ca 0.42 0.56 -0.13 0.00 -0.01 0.00 0.00 54.79 55.64 2dit n ASP 60 Cb 0.37 -0.56 -0.08 0.00 -1.03 0.00 0.00 41.12 39.82 2dit n ASP 60 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2dit h ARG 61 N 0.00 -0.19 -6.54 0.11 -0.00 -1.91 -3.36 114.38 102.49 2dit h ARG 61 Ca 0.00 0.01 -0.53 0.00 -0.50 0.00 0.00 59.98 58.96 2dit h ARG 61 Cb 0.34 0.04 0.05 0.00 0.00 0.00 0.00 29.97 30.40 2dit h ARG 61 CO 0.00 0.13 1.08 1.58 0.00 0.00 0.00 179.97 182.76 2dit n HIS 62 N -5.03 2.64 0.19 3.04 -0.00 -0.63 -4.85 115.22 110.58 2dit n HIS 62 Ca -0.09 -0.09 0.05 0.00 0.46 0.00 0.00 57.72 58.05 2dit n HIS 62 Cb 0.21 -2.71 0.38 0.00 -0.12 0.00 0.00 29.99 27.75 2dit n HIS 62 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2dit h PRO 63 N 8.08 0.00 -0.93 1.57 0.13 -1.87 -2.81 132.00 136.17 2dit h PRO 63 Ca -0.46 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 2dit h PRO 63 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2dit h PRO 63 CO 0.95 0.37 0.04 -3.47 -0.23 0.00 0.00 178.00 175.65 2dit n ASP 64 N -3.74 2.35 -2.89 1.44 -0.08 -1.26 -4.63 116.55 107.74 2dit n ASP 64 Ca -0.01 -2.25 -0.01 0.00 -1.51 0.00 0.00 54.79 51.01 2dit n ASP 64 Cb 0.46 -0.55 -0.01 0.00 2.34 0.00 0.00 41.12 43.35 2dit n ASP 64 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dit n GLY 65 N 0.14 -2.55 3.20 0.27 0.00 -1.06 -0.43 105.19 104.77 2dit n GLY 65 Ca 0.08 0.56 -0.28 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.94 1.72 0.05 1.61 1.01 -1.25 -2.28 120.40 120.31 2dit s VAL 66 Ca -0.07 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 2dit s VAL 66 Cb 0.00 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 2dit s VAL 66 CO 0.43 0.49 -0.03 0.00 0.00 0.00 0.00 175.10 175.98 2dit s ALA 67 N -0.15 0.46 -0.25 5.51 0.00 -1.18 -1.10 121.76 125.04 2dit s ALA 67 Ca -0.01 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.83 2dit s ALA 67 Cb -0.12 0.25 0.07 0.00 0.00 0.00 0.00 23.12 23.32 2dit s ALA 67 CO 0.02 -0.34 -0.01 0.45 0.00 0.00 0.00 175.76 175.89 2dit s SER 68 N -2.71 3.82 -0.41 0.00 0.15 0.10 -3.01 113.70 111.65 2dit s SER 68 Ca 0.04 -1.28 -0.12 0.00 0.70 0.00 0.00 55.95 55.28 2dit s SER 68 Cb 0.05 -1.08 0.05 0.00 -1.71 0.00 0.00 66.02 63.33 2dit s SER 68 CO -0.09 -0.29 0.28 -0.69 1.20 0.00 0.00 173.24 173.65 2dit s VAL 69 N 1.45 4.74 0.38 4.45 1.01 -0.77 -0.92 120.40 130.74 2dit s VAL 69 Ca -0.01 -1.01 -0.24 0.00 0.00 0.00 0.00 61.98 60.72 2dit s VAL 69 Cb -0.18 -3.75 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 2dit s VAL 69 CO -0.09 -0.39 0.95 -0.55 0.00 0.00 0.00 175.10 175.02 2dit s SER 70 N 1.94 7.10 0.16 3.32 0.15 0.13 -1.87 113.70 124.64 2dit s SER 70 Ca 0.03 1.78 0.06 0.00 0.70 0.00 0.00 55.95 58.52 2dit s SER 70 Cb -0.21 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.49 2dit s SER 70 CO 0.06 -0.24 -0.13 -0.36 1.20 0.00 0.00 173.24 173.77 2dit s PHE 71 N -1.89 1.47 -0.15 3.44 0.40 0.20 -2.92 117.98 118.55 2dit s PHE 71 Ca 0.56 -0.64 -0.12 0.00 -0.60 0.00 0.00 56.93 56.14 2dit s PHE 71 Cb -0.14 -0.73 -0.09 0.00 0.51 0.00 0.00 43.02 42.58 2dit s PHE 71 CO 0.19 0.21 0.07 -0.09 0.70 0.00 0.00 175.22 176.29 2dit h ARG 72 N 2.87 0.00 -6.02 0.44 9.65 -1.88 -3.45 114.38 115.99 2dit h ARG 72 Ca -0.38 0.00 -0.61 0.00 -1.10 0.00 0.00 59.98 57.89 2dit h ARG 72 Cb 1.20 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.73 2dit h ARG 72 CO 0.60 0.34 -0.22 -0.51 2.80 0.00 0.00 179.97 182.98 2dit s ASP 73 N -6.00 6.76 0.33 -3.80 1.11 -1.26 -4.99 116.67 108.82 2dit s ASP 73 Ca -0.15 0.92 0.12 0.00 0.18 0.00 0.00 52.55 53.62 2dit s ASP 73 Cb 0.02 -2.23 0.58 0.00 1.07 0.00 0.00 42.92 42.35 2dit s ASP 73 CO 0.31 0.29 1.73 1.55 1.18 0.00 0.00 175.17 180.23 2dit h PRO 74 N 4.50 0.00 0.07 8.23 0.13 -1.91 -3.20 132.00 139.83 2dit h PRO 74 Ca -0.51 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2dit h PRO 74 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2dit h PRO 74 CO 0.62 0.47 -0.03 0.93 -0.23 0.00 0.00 178.00 179.76 2dit h GLU 75 N 0.00 -0.09 0.13 0.86 5.08 -1.94 -2.25 114.58 116.37 2dit h GLU 75 Ca -0.00 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2dit h GLU 75 Cb 0.85 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2dit h GLU 75 CO 0.06 0.10 -0.18 0.93 -1.00 0.00 0.00 179.01 178.92 2dit h GLU 76 N -0.27 -0.31 -0.41 2.33 3.07 -1.97 -2.08 114.58 114.94 2dit h GLU 76 Ca -0.01 0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.91 2dit h GLU 76 Cb 0.23 0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 28.15 2dit h GLU 76 CO 0.02 -0.21 -0.36 0.00 -1.40 0.00 0.00 179.01 177.06 2dit h ALA 77 N -1.37 -0.49 -1.46 3.43 0.00 -1.63 1.03 119.26 118.77 2dit h ALA 77 Ca -0.02 0.03 0.42 0.00 0.00 0.00 0.00 54.91 55.35 2dit h ALA 77 Cb 0.29 1.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 2dit h ALA 77 CO -0.05 -0.70 1.15 0.22 0.00 0.00 0.00 179.25 179.87 2dit h ASP 78 N -0.14 0.00 0.47 0.00 1.82 -1.36 1.84 116.42 119.05 2dit h ASP 78 Ca 0.07 0.00 -0.15 0.00 -0.39 0.00 0.00 57.03 56.55 2dit h ASP 78 Cb 0.32 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.31 2dit h ASP 78 CO -0.46 0.00 -1.66 0.00 -1.61 0.00 0.00 179.24 175.50 2dit n TYR 79 N -3.85 0.62 0.21 0.28 9.36 0.23 -4.05 117.16 119.96 2dit n TYR 79 Ca 0.32 0.20 0.10 0.00 3.32 0.00 0.00 57.90 61.85 2dit n TYR 79 Cb 1.60 -0.95 0.21 0.00 -0.63 0.00 0.00 39.34 39.58 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 0.83 0.00 0.00 -0.00 -0.83 0.77 117.51 118.29 2dit h ILE 81 Ca -0.00 -1.91 -0.09 0.00 -0.00 0.00 0.00 64.86 62.85 2dit h ILE 81 Cb 1.01 2.22 -0.02 0.00 -0.00 0.00 0.00 36.82 40.04 2dit h ILE 81 CO 0.02 0.43 -1.30 0.00 -0.00 0.00 0.00 178.15 177.30 2dit n GLN 82 N -3.32 0.62 0.01 0.16 10.64 -1.19 -2.75 117.38 121.55 2dit n GLN 82 Ca 0.01 0.15 0.05 0.00 -1.83 0.00 0.00 57.00 55.38 2dit n GLN 82 Cb 0.64 -1.79 -0.11 0.00 -0.86 0.00 0.00 30.24 28.12 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 -2.76 0.68 0.54 -0.39 -1.04 -1.08 -4.15 114.28 106.08 2dit n THR 83 Ca -0.06 -0.62 0.11 0.00 -2.04 0.00 0.00 64.05 61.44 2dit n THR 83 Cb 0.71 -0.34 0.01 0.00 -1.82 0.00 0.00 70.33 68.89 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 -2.59 0.60 0.00 -4.42 4.77 0.26 -4.02 117.00 111.60 2dit n LEU 84 Ca -0.10 -0.03 0.03 0.00 -0.03 0.00 0.00 56.01 55.89 2dit n LEU 84 Cb 0.74 -0.09 0.14 0.00 -2.33 0.00 0.00 43.42 41.88 2dit n LEU 84 CO 0.43 0.04 0.55 -0.90 -1.33 0.00 0.00 177.39 176.19 2dit n ASP 85 N -1.98 0.00 0.00 -1.43 5.68 -1.11 -1.38 116.55 116.34 2dit n ASP 85 Ca 0.02 0.33 0.00 0.00 -0.50 0.00 0.00 54.79 54.64 2dit n ASP 85 Cb 0.44 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 2dit n ASP 85 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dit n GLY 86 N -0.82 -1.13 3.47 6.12 0.00 -1.17 -3.94 105.19 107.71 2dit n GLY 86 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.04 -1.18 -4.32 1.61 5.12 -0.48 -4.58 116.66 112.81 2dit n ARG 87 Ca 0.00 -0.30 -0.26 0.00 -1.93 0.00 0.00 57.85 55.35 2dit n ARG 87 Cb 0.02 -2.04 -0.17 0.00 -1.16 0.00 0.00 32.46 29.12 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 -2.43 1.62 -0.02 -1.55 0.52 -1.26 0.41 118.94 116.24 2dit s TRP 88 Ca 0.62 -0.72 0.06 0.00 0.02 0.00 0.00 56.10 56.08 2dit s TRP 88 Cb -0.21 -1.23 -0.01 0.00 -1.15 0.00 0.00 33.47 30.87 2dit s TRP 88 CO 0.64 -0.42 -0.18 -0.06 0.02 0.00 0.00 176.95 176.96 2dit s PHE 89 N 1.10 1.63 0.00 -1.98 0.40 0.33 -4.69 117.98 114.77 2dit s PHE 89 Ca -0.06 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 55.96 2dit s PHE 89 Cb -0.14 -1.05 0.00 0.00 0.51 0.00 0.00 43.02 42.34 2dit s PHE 89 CO -0.02 -0.03 0.00 0.41 0.70 0.00 0.00 175.22 176.28 2dit n GLY 90 N 2.65 0.06 0.00 4.36 0.00 -1.26 -1.03 105.19 109.97 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 -0.28 2.53 3.90 -0.02 0.00 -1.26 -5.09 105.19 104.98 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 -0.45 2.66 0.45 1.61 1.81 -0.20 -5.06 118.95 119.78 2dit s ARG 92 Ca 0.00 -1.40 -0.08 0.00 -1.72 0.00 0.00 55.73 52.53 2dit s ARG 92 Cb 0.00 -2.50 -0.05 0.00 -0.45 0.00 0.00 34.95 31.95 2dit s ARG 92 CO 0.00 -0.13 0.80 -1.14 -0.68 0.00 0.00 175.30 174.15 2dit s GLN 93 N -4.14 3.67 0.05 3.54 0.74 -1.26 0.12 119.66 122.38 2dit s GLN 93 Ca 0.48 0.39 0.03 0.00 0.05 0.00 0.00 55.36 56.31 2dit s GLN 93 Cb -0.05 -2.36 -0.03 0.00 1.10 0.00 0.00 33.01 31.67 2dit s GLN 93 CO 0.29 -0.15 -0.10 0.96 -0.55 0.00 0.00 175.29 175.74 2dit s ILE 94 N -2.58 0.72 0.15 -2.34 -4.36 0.17 -4.75 121.20 108.20 2dit s ILE 94 Ca 0.50 -1.16 0.05 0.00 -0.26 0.00 0.00 60.65 59.78 2dit s ILE 94 Cb -0.10 -0.76 -0.04 0.00 1.25 0.00 0.00 42.46 42.80 2dit s ILE 94 CO 0.38 -0.34 0.12 0.28 0.24 0.00 0.00 174.94 175.63 2dit s THR 95 N -1.38 4.47 0.10 8.37 -1.32 -1.22 -3.04 115.64 121.62 2dit s THR 95 Ca -0.07 -1.04 0.07 0.00 -1.21 0.00 0.00 61.69 59.43 2dit s THR 95 Cb -0.10 -3.26 -0.03 0.00 -1.51 0.00 0.00 72.50 67.60 2dit s THR 95 CO 0.01 -0.07 -0.17 0.00 -2.21 0.00 0.00 174.62 172.18 2dit s ALA 96 N -1.69 1.56 0.06 11.08 0.00 -1.26 -3.02 121.76 128.50 2dit s ALA 96 Ca 0.31 -1.20 -0.26 0.00 0.00 0.00 0.00 51.96 50.80 2dit s ALA 96 Cb -0.10 -0.16 0.09 0.00 0.00 0.00 0.00 23.12 22.95 2dit s ALA 96 CO 0.23 0.23 0.76 1.14 0.00 0.00 0.00 175.76 178.12 2dit s GLN 97 N -2.09 1.02 -0.09 0.00 0.00 -1.01 -4.73 119.66 112.76 2dit s GLN 97 Ca 0.05 -0.36 -0.25 0.00 -0.00 0.00 0.00 55.36 54.81 2dit s GLN 97 Cb -0.09 0.47 -0.03 0.00 0.00 0.00 0.00 33.01 33.37 2dit s GLN 97 CO 0.04 -0.44 0.76 0.00 0.00 0.00 0.00 175.29 175.64 2dit s ALA 98 N -3.34 3.38 0.61 2.60 0.00 -1.26 -0.47 121.76 123.27 2dit s ALA 98 Ca 0.03 0.13 -0.08 0.00 0.00 0.00 0.00 51.96 52.03 2dit s ALA 98 Cb -0.01 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 20.03 2dit s ALA 98 CO -0.10 -0.29 0.97 -0.46 0.00 0.00 0.00 175.76 175.87 2dit s TRP 99 N 1.25 3.41 0.00 0.00 -0.00 -0.50 -4.91 118.94 118.19 2dit s TRP 99 Ca 0.39 0.93 0.00 0.00 -0.00 0.00 0.00 56.10 57.42 2dit s TRP 99 Cb -0.18 -2.75 0.00 0.00 -0.00 0.00 0.00 33.47 30.54 2dit s TRP 99 CO 0.17 -0.80 0.00 -0.40 -0.00 0.00 0.00 176.95 175.92 2dit n ASP 100 N -2.69 0.00 0.00 5.86 5.68 -1.26 -4.82 116.55 119.32 2dit n ASP 100 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 2dit n ASP 100 Cb 0.56 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 2dit n ASP 100 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dit n GLY 101 N 3.59 0.00 0.05 6.12 0.00 -1.26 -5.05 105.19 108.64 2dit n GLY 101 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.54 -1.66 2.61 5.66 -1.26 -5.03 114.28 115.15 2dit n THR 102 Ca 0.00 -0.23 -0.38 0.00 -3.05 0.00 0.00 64.05 60.39 2dit n THR 102 Cb 0.00 -0.83 0.05 0.00 -1.55 0.00 0.00 70.33 68.00 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 -2.68 4.00 -0.90 1.09 5.66 -1.26 -4.92 114.28 115.27 2dit n THR 103 Ca -0.16 -0.50 0.08 0.00 -3.05 0.00 0.00 64.05 60.42 2dit n THR 103 Cb 0.70 -1.29 0.27 0.00 -1.55 0.00 0.00 70.33 68.45 2dit n THR 103 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2dit n ASP 104 N -1.04 3.98 -0.14 1.09 8.00 -1.26 -4.65 116.55 122.53 2dit n ASP 104 Ca 0.14 -2.90 -0.05 0.00 0.71 0.00 0.00 54.79 52.69 2dit n ASP 104 Cb 0.47 -0.53 -0.04 0.00 -0.02 0.00 0.00 41.12 41.00 2dit n ASP 104 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2dit h TYR 105 N 2.08 -0.80 0.01 1.24 0.05 -2.03 -3.28 116.97 114.24 2dit h TYR 105 Ca 0.00 0.05 -0.38 0.00 0.05 0.00 0.00 58.73 58.45 2dit h TYR 105 Cb 1.42 0.40 -0.07 0.00 1.01 0.00 0.00 36.73 39.49 2dit h TYR 105 CO 0.53 -0.18 -2.42 0.00 -1.05 0.00 0.00 178.16 175.05 2dit n GLN 106 N -3.94 0.66 -1.31 4.88 -0.00 -1.26 -4.99 117.38 111.42 2dit n GLN 106 Ca 0.00 0.14 -0.38 0.00 -0.00 0.00 0.00 57.00 56.76 2dit n GLN 106 Cb 0.13 -1.54 0.03 0.00 -0.00 0.00 0.00 30.24 28.86 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 -3.20 -2.52 0.00 2.61 2.88 -1.24 -4.96 113.62 107.19 2dit n SER 107 Ca -0.43 0.64 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 2dit n SER 107 Cb 1.02 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 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 2.19 1.21 3.74 0.46 0.00 -1.26 -4.87 105.19 106.65 2dit n GLY 108 Ca 0.09 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 0.54 4.39 0.00 1.61 0.04 -1.26 -4.92 135.00 135.40 2dit s PRO 109 Ca 0.00 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2dit s PRO 109 Cb 0.00 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.34 2dit s PRO 109 CO 0.00 -0.26 0.00 0.45 0.04 0.00 0.00 177.00 177.23 2dit n SER 110 N 2.75 0.09 -4.45 6.66 2.88 -1.26 -5.05 113.62 115.23 2dit n SER 110 Ca 0.06 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.27 2dit n SER 110 Cb 0.43 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.76 2dit n SER 110 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dit s SER 111 N -4.97 4.35 0.00 -3.46 0.15 -1.26 -5.34 113.70 103.17 2dit s SER 111 Ca 0.00 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.44 2dit s SER 111 Cb 0.00 -1.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.78 2dit s SER 111 CO 0.00 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.26