#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 5.18 -4.48 1.61 2.88 -1.26 -5.03 113.62 112.53 2dit n SER 2 Ca 0.00 -3.75 -0.30 0.00 -1.33 0.00 0.00 58.87 53.49 2dit n SER 2 Cb 0.00 -0.43 -0.12 0.00 -0.75 0.00 0.00 64.21 62.91 2dit n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dit s SER 3 N -3.39 3.90 0.00 -3.46 0.15 -1.26 -5.14 113.70 104.51 2dit s SER 3 Ca 0.52 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.72 2dit s SER 3 Cb 0.42 -0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 2dit s SER 3 CO -0.01 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.27 2dit n GLY 4 N 1.30 1.46 3.93 9.45 0.00 -1.26 -5.09 105.19 114.98 2dit n GLY 4 Ca -0.16 -1.70 -0.28 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.00 6.37 -0.10 1.61 1.04 -1.26 -5.09 113.70 115.26 2dit s SER 5 Ca 0.00 0.28 -0.14 0.00 0.48 0.00 0.00 55.95 56.57 2dit s SER 5 Cb 0.00 -1.96 -0.05 0.00 0.10 0.00 0.00 66.02 64.11 2dit s SER 5 CO 0.00 0.05 0.34 -0.55 0.98 0.00 0.00 173.24 174.05 2dit s SER 6 N -3.03 6.58 0.00 7.02 0.15 -1.26 -5.03 113.70 118.13 2dit s SER 6 Ca 0.36 0.69 0.00 0.00 0.70 0.00 0.00 55.95 57.70 2dit s SER 6 Cb -0.11 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 2dit s SER 6 CO 0.28 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.52 2dit n GLY 7 N 2.72 0.66 0.00 9.45 0.00 -1.26 -5.18 105.19 111.57 2dit n GLY 7 Ca -0.13 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 0.78 3.77 -0.02 0.00 -1.26 -5.10 105.19 103.36 2dit n GLY 8 Ca 0.00 -1.70 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.90 3.73 0.16 1.61 0.04 -1.26 -4.94 135.00 132.44 2dit s PRO 9 Ca 0.00 1.76 -0.34 0.00 0.04 0.00 0.00 61.00 62.46 2dit s PRO 9 Cb 0.00 -2.37 -0.14 0.00 0.04 0.00 0.00 34.50 32.02 2dit s PRO 9 CO 0.00 -0.57 1.47 0.43 0.04 0.00 0.00 177.00 178.36 2dit n SER 10 N -0.55 2.61 -4.43 6.66 7.64 -1.26 -4.88 113.62 119.41 2dit n SER 10 Ca 0.08 1.11 -0.37 0.00 1.01 0.00 0.00 58.87 60.69 2dit n SER 10 Cb 0.48 -1.37 0.05 0.00 -1.01 0.00 0.00 64.21 62.37 2dit n SER 10 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2dit n ARG 11 N 2.84 0.34 -1.93 1.43 1.85 -1.26 -4.97 116.66 114.96 2dit n ARG 11 Ca 0.16 0.15 -0.29 0.00 -1.00 0.00 0.00 57.85 56.87 2dit n ARG 11 Cb 0.27 -1.70 0.10 0.00 -1.05 0.00 0.00 32.46 30.08 2dit n ARG 11 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 2dit s MET 12 N -2.39 1.80 -0.95 2.89 -1.94 -1.26 -5.01 119.30 112.45 2dit s MET 12 Ca 0.65 0.01 -0.01 0.00 -1.71 0.00 0.00 55.69 54.63 2dit s MET 12 Cb -0.38 -1.95 0.29 0.00 2.01 0.00 0.00 34.83 34.79 2dit s MET 12 CO 0.58 -1.68 1.22 0.54 -0.01 0.00 0.00 175.02 175.67 2dit n ARG 13 N -3.35 3.80 -3.86 2.03 1.74 -1.26 -4.98 116.66 110.78 2dit n ARG 13 Ca 0.09 -4.58 -0.05 0.00 -0.77 0.00 0.00 57.85 52.53 2dit n ARG 13 Cb 0.61 -2.44 0.02 0.00 -1.02 0.00 0.00 32.46 29.63 2dit n ARG 13 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2dit s HIS 14 N -2.58 0.08 -0.24 -1.55 -3.43 -1.26 -5.15 115.29 101.17 2dit s HIS 14 Ca 0.33 -0.58 0.02 0.00 -0.80 0.00 0.00 55.06 54.03 2dit s HIS 14 Cb 0.06 0.75 0.05 0.00 -1.43 0.00 0.00 32.58 32.01 2dit s HIS 14 CO 0.05 -1.15 -0.13 -1.83 -2.00 0.00 0.00 174.74 169.68 2dit s GLU 15 N -2.24 2.48 -0.64 -0.38 1.03 -1.26 -5.05 118.70 112.65 2dit s GLU 15 Ca 0.19 -1.18 0.05 0.00 0.03 0.00 0.00 54.97 54.06 2dit s GLU 15 Cb -0.03 -2.82 0.17 0.00 -0.80 0.00 0.00 34.13 30.65 2dit s GLU 15 CO 0.07 -0.46 0.46 0.50 -1.33 0.00 0.00 175.26 174.50 2dit s ARG 16 N 1.17 2.09 -0.05 -4.83 6.06 -1.26 -4.94 118.95 117.19 2dit s ARG 16 Ca -0.05 -3.06 0.00 0.00 -2.50 0.00 0.00 55.73 50.13 2dit s ARG 16 Cb -0.18 -2.94 0.03 0.00 0.06 0.00 0.00 34.95 31.92 2dit s ARG 16 CO -0.07 -1.31 -0.02 0.08 -2.50 0.00 0.00 175.30 171.48 2dit s VAL 17 N -1.10 0.38 0.09 7.11 1.01 -1.26 -0.33 120.40 126.30 2dit s VAL 17 Ca 0.27 0.02 -0.07 0.00 0.00 0.00 0.00 61.98 62.20 2dit s VAL 17 Cb -0.02 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 2dit s VAL 17 CO -0.18 0.21 0.37 0.68 0.00 0.00 0.00 175.10 176.18 2dit s VAL 18 N 1.30 5.16 0.13 2.92 -7.23 -0.28 -0.25 120.40 122.16 2dit s VAL 18 Ca -0.05 0.22 0.07 0.00 -1.81 0.00 0.00 61.98 60.41 2dit s VAL 18 Cb -0.13 -3.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.14 2dit s VAL 18 CO -0.02 0.20 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.27 2dit s ILE 19 N -1.49 3.48 0.00 -0.62 -1.09 0.07 -1.54 121.20 120.02 2dit s ILE 19 Ca 0.35 -1.35 0.02 0.00 -2.23 0.00 0.00 60.65 57.45 2dit s ILE 19 Cb -0.13 -2.68 -0.01 0.00 -1.58 0.00 0.00 42.46 38.06 2dit s ILE 19 CO 0.20 0.02 -0.08 -0.63 -1.23 0.00 0.00 174.94 173.22 2dit s ILE 20 N -1.44 0.62 0.23 2.92 -1.09 -1.21 -2.44 121.20 118.79 2dit s ILE 20 Ca 0.24 -0.45 0.12 0.00 -2.23 0.00 0.00 60.65 58.33 2dit s ILE 20 Cb -0.10 -0.54 -0.05 0.00 -1.58 0.00 0.00 42.46 40.19 2dit s ILE 20 CO 0.16 0.09 -0.22 -0.54 -1.23 0.00 0.00 174.94 173.20 2dit s LYS 21 N -0.40 1.59 -1.24 2.79 3.01 -1.16 -2.95 119.74 121.38 2dit s LYS 21 Ca 0.01 -1.63 -0.10 0.00 -1.01 0.00 0.00 55.97 53.24 2dit s LYS 21 Cb -0.04 -1.81 -0.01 0.00 -1.01 0.00 0.00 37.83 34.96 2dit s LYS 21 CO -0.00 0.37 0.68 -1.71 0.51 0.00 0.00 175.35 175.20 2dit n ASN 22 N -0.13 -3.07 0.00 2.83 5.15 -0.88 -3.50 115.26 115.66 2dit n ASN 22 Ca -0.09 -0.95 0.00 0.00 -0.60 0.00 0.00 54.58 52.94 2dit n ASN 22 Cb 0.58 -3.55 0.00 0.00 -0.53 0.00 0.00 39.78 36.28 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 -4.21 4.09 -3.83 1.20 0.00 -1.25 -4.35 117.12 108.78 2dit n MET 23 Ca -0.20 0.00 -0.05 0.00 0.00 0.00 0.00 57.70 57.45 2dit n MET 23 Cb 0.64 -0.61 0.01 0.00 0.00 0.00 0.00 33.22 33.25 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 -1.17 -0.00 -0.09 3.17 -0.12 -1.26 -4.53 117.98 113.98 2dit s PHE 24 Ca 0.00 -0.45 -0.09 0.00 -0.05 0.00 0.00 56.93 56.34 2dit s PHE 24 Cb 0.00 0.72 0.02 0.00 -0.63 0.00 0.00 43.02 43.13 2dit s PHE 24 CO 0.00 -1.08 0.25 -1.58 -0.05 0.00 0.00 175.22 172.76 2dit s HIS 25 N -2.69 -0.25 0.02 3.49 2.46 -1.26 -2.80 115.29 114.25 2dit s HIS 25 Ca 0.16 0.61 -0.22 0.00 0.47 0.00 0.00 55.06 56.09 2dit s HIS 25 Cb -0.03 0.09 -0.16 0.00 -0.13 0.00 0.00 32.58 32.35 2dit s HIS 25 CO 0.06 -0.15 1.33 -1.00 -2.47 0.00 0.00 174.74 172.50 2dit h PRO 26 N 5.57 0.27 0.00 2.88 0.13 -1.81 -2.89 132.00 136.15 2dit h PRO 26 Ca -0.26 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2dit h PRO 26 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2dit h PRO 26 CO 0.35 0.68 0.00 -1.33 -0.23 0.00 0.00 178.00 177.47 2dit n MET 27 N -4.63 0.00 0.05 0.86 2.81 -1.26 -1.28 117.12 113.67 2dit n MET 27 Ca -0.07 0.50 -0.22 0.00 -1.81 0.00 0.00 57.70 56.10 2dit n MET 27 Cb 0.33 -1.51 -0.15 0.00 -0.71 0.00 0.00 33.22 31.18 2dit n MET 27 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 2dit h ASP 28 N 0.00 0.54 0.38 7.83 3.58 -1.91 -3.34 116.42 123.50 2dit h ASP 28 Ca 0.00 -0.93 -0.04 0.00 0.42 0.00 0.00 57.03 56.47 2dit h ASP 28 Cb 0.01 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 2dit h ASP 28 CO 0.00 1.81 -0.19 -0.26 -2.88 0.00 0.00 179.24 177.72 2dit h PHE 29 N 0.09 0.00 0.00 0.28 0.04 -1.17 -1.94 116.94 114.25 2dit h PHE 29 Ca -0.37 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.40 2dit h PHE 29 Cb 2.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.23 2dit h PHE 29 CO 0.09 0.19 0.00 0.93 -0.60 0.00 0.00 178.31 178.92 2dit h GLU 30 N 0.00 0.00 0.00 1.51 5.08 -1.65 -1.70 114.58 117.82 2dit h GLU 30 Ca -0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 2dit h GLU 30 Cb 0.43 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 2dit h GLU 30 CO 0.02 0.00 -2.11 -3.47 -1.00 0.00 0.00 179.01 172.45 2dit n ASP 31 N -2.34 0.28 -3.64 1.42 -0.08 -0.73 -5.01 116.55 106.46 2dit n ASP 31 Ca -0.00 0.13 -0.07 0.00 -1.51 0.00 0.00 54.79 53.34 2dit n ASP 31 Cb 0.10 0.75 -0.07 0.00 2.34 0.00 0.00 41.12 44.24 2dit n ASP 31 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2dit s ASP 32 N -5.59 -0.29 0.19 1.67 1.01 -0.64 -5.05 116.67 107.97 2dit s ASP 32 Ca -0.08 0.55 -0.05 0.00 0.71 0.00 0.00 52.55 53.68 2dit s ASP 32 Cb 0.07 0.55 0.11 0.00 1.01 0.00 0.00 42.92 44.66 2dit s ASP 32 CO 0.83 -0.11 1.54 1.55 0.21 0.00 0.00 175.17 179.20 2dit h PRO 33 N 3.69 0.70 -0.97 8.23 0.13 -1.90 -3.24 132.00 138.64 2dit h PRO 33 Ca -0.27 -0.37 0.23 0.00 -0.87 0.00 0.00 66.00 64.72 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 0.98 -0.13 1.28 -0.23 0.00 0.00 178.00 180.05 2dit n LEU 34 N -4.03 -0.24 -0.27 1.56 7.99 -1.26 -0.33 117.00 120.42 2dit n LEU 34 Ca -0.02 1.65 -0.09 0.00 -0.01 0.00 0.00 56.01 57.54 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 0.47 -1.62 0.54 0.58 -1.51 0.00 0.00 177.39 175.84 2dit h VAL 35 N 0.00 0.04 -0.33 4.08 2.07 -1.92 0.41 116.25 120.60 2dit h VAL 35 Ca 0.52 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.97 2dit h VAL 35 Cb 0.93 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 2dit h VAL 35 CO -0.96 0.00 -0.08 0.25 0.02 0.00 0.00 177.57 176.80 2dit h LEU 36 N -0.17 0.53 0.66 2.57 5.85 -0.89 -1.74 115.31 122.13 2dit h LEU 36 Ca 0.18 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2dit h LEU 36 Cb 0.54 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.43 2dit h LEU 36 CO -0.78 0.66 -0.32 0.78 -0.34 0.00 0.00 178.44 178.45 2dit h ASN 37 N 0.52 -0.75 -0.88 1.25 2.35 0.74 0.25 115.58 119.06 2dit h ASN 37 Ca 0.10 0.03 0.10 0.00 -0.55 0.00 0.00 56.30 55.98 2dit h ASN 37 Cb 0.46 0.19 -0.08 0.00 0.05 0.00 0.00 38.32 38.95 2dit h ASN 37 CO 0.02 -0.52 0.52 1.05 -1.65 0.00 0.00 177.43 176.85 2dit h GLU 38 N -0.93 0.82 0.56 0.81 4.11 -0.39 -1.01 114.58 118.55 2dit h GLU 38 Ca -0.09 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.26 2dit h GLU 38 Cb 0.68 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.75 2dit h GLU 38 CO 0.15 0.54 -0.27 0.82 0.07 0.00 0.00 179.01 180.32 2dit h ILE 39 N 0.84 0.41 0.20 -1.06 2.04 -1.24 0.68 117.51 119.38 2dit h ILE 39 Ca 0.43 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 66.12 2dit h ILE 39 Cb 0.40 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 2dit h ILE 39 CO -0.26 0.03 -0.52 -0.09 0.00 0.00 0.00 178.15 177.32 2dit h ARG 40 N -0.87 -0.77 -0.87 2.37 2.43 -0.13 -1.33 114.38 115.21 2dit h ARG 40 Ca -0.08 0.05 0.12 0.00 -0.81 0.00 0.00 59.98 59.26 2dit h ARG 40 Cb 0.62 0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 30.28 2dit h ARG 40 CO 0.13 -0.51 0.56 1.05 -1.51 0.00 0.00 179.97 179.68 2dit h GLU 41 N -0.80 0.74 -0.52 0.20 4.11 -1.24 -1.38 114.58 115.69 2dit h GLU 41 Ca -0.01 -0.04 0.04 0.00 0.07 0.00 0.00 59.36 59.41 2dit h GLU 41 Cb 0.78 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 2dit h GLU 41 CO -0.24 0.49 0.28 -0.44 0.07 0.00 0.00 179.01 179.17 2dit h ASP 42 N 0.76 0.41 0.26 3.06 3.32 0.19 0.16 116.42 124.58 2dit h ASP 42 Ca 0.42 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.44 2dit h ASP 42 Cb 0.55 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 2dit h ASP 42 CO -0.18 0.28 -0.26 -0.07 -1.72 0.00 0.00 179.24 177.29 2dit h LEU 43 N 0.53 0.00 -0.11 1.55 3.38 -0.22 0.34 115.31 120.78 2dit h LEU 43 Ca 0.23 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.99 2dit h LEU 43 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2dit h LEU 43 CO -0.15 0.26 -0.97 -0.09 0.09 0.00 0.00 178.44 177.58 2dit h ARG 44 N 0.00 0.05 0.00 1.13 2.43 -0.81 -2.60 114.38 114.58 2dit h ARG 44 Ca -0.00 -0.08 -0.09 0.00 -0.81 0.00 0.00 59.98 59.00 2dit h ARG 44 Cb 0.46 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2dit h ARG 44 CO 0.03 0.97 -0.97 -0.39 -1.51 0.00 0.00 179.97 178.10 2dit h VAL 45 N 0.02 0.38 0.05 0.20 -1.51 -0.24 -3.12 116.25 112.02 2dit h VAL 45 Ca -0.03 -1.65 -0.09 0.00 -1.23 0.00 0.00 66.70 63.70 2dit h VAL 45 Cb 1.68 1.95 0.01 0.00 -2.13 0.00 0.00 31.29 32.80 2dit h VAL 45 CO 0.13 0.21 -0.39 1.05 -1.23 0.00 0.00 177.57 177.35 2dit h GLU 46 N 0.00 0.18 0.00 5.19 4.11 -0.38 -3.18 114.58 120.51 2dit h GLU 46 Ca -0.07 -0.26 0.00 0.00 0.07 0.00 0.00 59.36 59.10 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 0.03 1.06 0.00 0.00 0.07 0.00 0.00 179.01 180.18 2dit h SER 48 N 0.00 0.00 -0.92 0.00 0.87 -1.59 -3.26 113.55 108.65 2dit h SER 48 Ca 0.00 0.00 0.25 0.00 -1.23 0.00 0.00 61.79 60.81 2dit h SER 48 Cb 0.50 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.32 2dit h SER 48 CO 0.00 0.78 0.35 0.11 -0.53 0.00 0.00 176.83 177.54 2dit h LYS 49 N 0.00 0.27 0.05 2.24 1.79 -1.47 0.35 116.57 119.79 2dit h LYS 49 Ca -0.01 -0.02 -0.24 0.00 -2.18 0.00 0.00 60.65 58.21 2dit h LYS 49 Cb 1.50 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 32.07 2dit h LYS 49 CO 0.10 0.18 -1.09 0.74 -1.08 0.00 0.00 179.45 178.29 2dit h PHE 50 N 0.27 0.20 0.00 -1.35 -1.00 -1.76 -3.49 116.94 109.82 2dit h PHE 50 Ca 0.60 -0.15 0.00 0.00 2.81 0.00 0.00 57.97 61.23 2dit h PHE 50 Cb 1.24 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.80 2dit h PHE 50 CO -0.18 1.11 0.00 0.41 -1.61 0.00 0.00 178.31 178.04 2dit n GLY 51 N 1.41 -0.11 3.07 -1.45 0.00 0.12 -4.99 105.19 103.24 2dit n GLY 51 Ca -0.03 0.51 -0.18 0.00 0.00 0.00 0.00 46.02 46.32 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 0.43 -3.96 1.61 6.02 -1.26 -4.56 117.38 115.65 2dit n GLN 52 Ca 0.00 -3.11 -0.31 0.00 -0.01 0.00 0.00 57.00 53.58 2dit n GLN 52 Cb 0.00 2.60 -0.15 0.00 1.02 0.00 0.00 30.24 33.71 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 -3.22 2.08 0.41 5.09 -1.09 -1.26 -4.52 121.20 118.69 2dit s ILE 53 Ca 0.37 -2.30 0.11 0.00 -2.23 0.00 0.00 60.65 56.59 2dit s ILE 53 Cb 0.01 -2.53 0.18 0.00 -1.58 0.00 0.00 42.46 38.54 2dit s ILE 53 CO 0.26 -0.64 1.95 0.03 -1.23 0.00 0.00 174.94 175.32 2dit h ARG 54 N 7.56 0.20 -1.77 2.79 2.47 -1.91 -3.44 114.38 120.28 2dit h ARG 54 Ca -0.06 -0.04 0.04 0.00 -1.26 0.00 0.00 59.98 58.66 2dit h ARG 54 Cb 1.01 -0.03 -0.24 0.00 -1.65 0.00 0.00 29.97 29.06 2dit h ARG 54 CO 0.53 0.32 0.27 0.21 0.56 0.00 0.00 179.97 181.85 2dit s LYS 55 N -4.77 0.61 -0.06 0.04 2.47 -1.25 -4.98 119.74 111.79 2dit s LYS 55 Ca -0.05 0.84 -0.00 0.00 -1.56 0.00 0.00 55.97 55.20 2dit s LYS 55 Cb 0.16 0.23 0.02 0.00 -1.46 0.00 0.00 37.83 36.79 2dit s LYS 55 CO 0.72 -0.09 -0.03 -1.17 0.16 0.00 0.00 175.35 174.94 2dit s LEU 56 N 0.77 1.00 -0.03 5.43 2.96 -1.26 0.06 118.68 127.61 2dit s LEU 56 Ca -0.03 -0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 2dit s LEU 56 Cb -0.05 -0.48 0.01 0.00 0.50 0.00 0.00 46.19 46.18 2dit s LEU 56 CO -0.09 -0.12 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.03 2dit s LEU 57 N 1.43 1.52 -0.25 -0.68 1.43 -0.33 -5.02 118.68 116.78 2dit s LEU 57 Ca -0.03 -0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 52.93 2dit s LEU 57 Cb -0.13 -0.32 -0.01 0.00 0.03 0.00 0.00 46.19 45.76 2dit s LEU 57 CO -0.03 -0.03 0.04 -0.22 0.23 0.00 0.00 176.35 176.34 2dit s LEU 58 N 0.58 3.38 -1.28 1.79 0.20 -1.26 -0.38 118.68 121.70 2dit s LEU 58 Ca -0.07 -0.42 -0.10 0.00 0.69 0.00 0.00 54.13 54.23 2dit s LEU 58 Cb -0.10 -1.85 0.16 0.00 -0.43 0.00 0.00 46.19 43.97 2dit s LEU 58 CO -0.00 -0.08 1.83 0.49 -0.29 0.00 0.00 176.35 178.30 2dit n PHE 59 N 4.86 3.30 -0.32 5.38 3.72 -0.47 -4.79 117.46 129.15 2dit n PHE 59 Ca -0.16 -2.88 0.20 0.00 -0.05 0.00 0.00 57.45 54.55 2dit n PHE 59 Cb 0.50 -2.03 0.47 0.00 -0.94 0.00 0.00 39.48 37.48 2dit n PHE 59 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2dit h ASP 60 N 5.99 0.51 -0.37 4.37 3.58 -1.96 -1.96 116.42 126.57 2dit h ASP 60 Ca 0.40 0.08 0.05 0.00 0.42 0.00 0.00 57.03 57.98 2dit h ASP 60 Cb 0.67 -0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.63 2dit h ASP 60 CO 1.58 0.13 -0.54 0.03 -2.88 0.00 0.00 179.24 177.57 2dit h ARG 61 N 0.47 -0.40 -6.15 0.28 -0.00 -1.93 -3.35 114.38 103.29 2dit h ARG 61 Ca 0.57 0.03 -0.68 0.00 -0.50 0.00 0.00 59.98 59.40 2dit h ARG 61 Cb 1.33 0.09 0.01 0.00 0.00 0.00 0.00 29.97 31.40 2dit h ARG 61 CO -0.30 -0.27 1.09 1.58 0.00 0.00 0.00 179.97 182.07 2dit n HIS 62 N -5.39 2.06 0.42 3.04 -0.00 -0.74 -4.81 115.22 109.79 2dit n HIS 62 Ca -0.03 0.29 0.11 0.00 0.46 0.00 0.00 57.72 58.54 2dit n HIS 62 Cb 0.35 -2.55 0.45 0.00 -0.12 0.00 0.00 29.99 28.12 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 6.46 0.15 -0.91 1.57 -0.04 -1.26 -2.57 135.00 138.41 2dit n PRO 63 Ca 0.28 0.39 -0.14 0.00 -0.04 0.00 0.00 63.50 63.99 2dit n PRO 63 Cb 0.21 -1.79 0.18 0.00 -0.04 0.00 0.00 33.50 32.06 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 -2.07 3.81 -3.16 3.54 2.03 -1.26 -4.73 116.55 114.71 2dit n ASP 64 Ca 0.02 -3.15 -0.06 0.00 0.52 0.00 0.00 54.79 52.13 2dit n ASP 64 Cb 0.21 -0.74 0.01 0.00 -0.72 0.00 0.00 41.12 39.88 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 -0.53 -0.66 3.16 0.27 0.00 -1.06 -2.07 105.19 104.30 2dit n GLY 65 Ca 0.42 0.27 -0.29 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 -1.21 1.75 0.27 1.61 1.01 -1.25 -2.28 120.40 120.30 2dit s VAL 66 Ca 0.06 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.23 2dit s VAL 66 Cb -0.01 -1.53 -0.06 0.00 0.00 0.00 0.00 36.38 34.79 2dit s VAL 66 CO 0.26 0.49 0.05 0.00 0.00 0.00 0.00 175.10 175.90 2dit s ALA 67 N 0.41 1.99 -0.15 5.51 0.00 -1.15 -1.36 121.76 127.00 2dit s ALA 67 Ca -0.16 -1.90 -0.02 0.00 0.00 0.00 0.00 51.96 49.87 2dit s ALA 67 Cb -0.17 0.71 0.05 0.00 0.00 0.00 0.00 23.12 23.71 2dit s ALA 67 CO 0.07 -0.33 0.01 -1.54 0.00 0.00 0.00 175.76 173.97 2dit s SER 68 N -3.37 2.50 -0.33 0.00 1.04 0.48 -3.31 113.70 110.72 2dit s SER 68 Ca 0.34 -0.58 -0.01 0.00 0.48 0.00 0.00 55.95 56.18 2dit s SER 68 Cb 0.07 -0.59 0.07 0.00 0.10 0.00 0.00 66.02 65.67 2dit s SER 68 CO 0.13 -0.26 0.05 -0.69 0.98 0.00 0.00 173.24 173.45 2dit s VAL 69 N 1.86 2.96 0.47 5.02 1.01 -0.59 -1.19 120.40 129.95 2dit s VAL 69 Ca 0.01 -1.65 -0.20 0.00 0.00 0.00 0.00 61.98 60.14 2dit s VAL 69 Cb -0.15 -2.83 -0.09 0.00 0.00 0.00 0.00 36.38 33.30 2dit s VAL 69 CO -0.07 -0.29 1.00 -0.55 0.00 0.00 0.00 175.10 175.18 2dit s SER 70 N 1.35 6.59 0.01 3.32 0.15 0.11 -1.13 113.70 124.11 2dit s SER 70 Ca -0.01 1.80 0.04 0.00 0.70 0.00 0.00 55.95 58.49 2dit s SER 70 Cb -0.20 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.54 2dit s SER 70 CO -0.03 -0.61 -0.12 -0.36 1.20 0.00 0.00 173.24 173.32 2dit s PHE 71 N -2.12 1.07 -0.10 3.44 0.40 0.55 -3.24 117.98 117.98 2dit s PHE 71 Ca 0.64 -0.27 -0.02 0.00 -0.60 0.00 0.00 56.93 56.68 2dit s PHE 71 Cb -0.13 -0.66 -0.02 0.00 0.51 0.00 0.00 43.02 42.72 2dit s PHE 71 CO 0.18 0.00 0.05 -0.09 0.70 0.00 0.00 175.22 176.06 2dit h ARG 72 N 5.41 0.00 -6.31 0.44 9.65 -1.86 -3.43 114.38 118.28 2dit h ARG 72 Ca -0.35 0.00 -0.54 0.00 -1.10 0.00 0.00 59.98 57.99 2dit h ARG 72 Cb 1.18 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.72 2dit h ARG 72 CO 0.47 0.06 0.16 -0.51 2.80 0.00 0.00 179.97 182.95 2dit s ASP 73 N -5.60 7.22 0.34 -3.80 1.01 -1.26 -4.96 116.67 109.62 2dit s ASP 73 Ca -0.01 1.45 0.13 0.00 0.71 0.00 0.00 52.55 54.83 2dit s ASP 73 Cb -0.00 -2.47 0.60 0.00 1.01 0.00 0.00 42.92 42.06 2dit s ASP 73 CO 0.05 0.02 1.74 1.55 0.21 0.00 0.00 175.17 178.74 2dit h PRO 74 N 5.61 0.00 -0.57 8.23 0.13 -2.00 -2.82 132.00 140.58 2dit h PRO 74 Ca -0.44 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.59 2dit h PRO 74 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2dit h PRO 74 CO 0.71 0.46 -0.03 0.93 -0.23 0.00 0.00 178.00 179.84 2dit h GLU 75 N 0.00 1.00 0.25 0.86 5.08 -1.98 -2.50 114.58 117.28 2dit h GLU 75 Ca -0.00 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 2dit h GLU 75 Cb 0.84 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2dit h GLU 75 CO 0.06 1.00 -0.12 0.93 -1.00 0.00 0.00 179.01 179.88 2dit h GLU 76 N 0.91 -0.32 -0.39 2.33 4.39 -1.92 -3.00 114.58 116.59 2dit h GLU 76 Ca 0.16 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.92 2dit h GLU 76 Cb 0.57 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.24 2dit h GLU 76 CO 0.03 -0.21 -0.29 0.00 -1.16 0.00 0.00 179.01 177.38 2dit h ALA 77 N -1.55 -0.38 -0.32 3.43 0.00 -1.60 1.81 119.26 120.65 2dit h ALA 77 Ca -0.03 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.01 2dit h ALA 77 Cb 0.25 1.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2dit h ALA 77 CO 0.06 -0.56 0.65 0.22 0.00 0.00 0.00 179.25 179.61 2dit h ASP 78 N -0.08 0.00 0.14 0.00 1.82 -1.60 1.23 116.42 117.94 2dit h ASP 78 Ca 0.06 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.70 2dit h ASP 78 Cb 0.24 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.25 2dit h ASP 78 CO -0.41 0.00 -1.86 0.00 -1.61 0.00 0.00 179.24 175.36 2dit n TYR 79 N -3.15 0.14 0.10 0.28 9.36 0.37 -4.13 117.16 120.13 2dit n TYR 79 Ca 0.06 0.04 0.01 0.00 3.32 0.00 0.00 57.90 61.33 2dit n TYR 79 Cb 0.78 -0.57 -0.02 0.00 -0.63 0.00 0.00 39.34 38.89 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 0.21 0.00 0.00 -0.00 -1.12 -0.46 117.51 116.14 2dit h ILE 81 Ca -0.04 -1.21 -0.15 0.00 -0.00 0.00 0.00 64.86 63.45 2dit h ILE 81 Cb 1.48 2.02 -0.03 0.00 -0.00 0.00 0.00 36.82 40.30 2dit h ILE 81 CO 0.07 0.12 -1.41 0.00 -0.00 0.00 0.00 178.15 176.93 2dit n GLN 82 N -3.14 0.62 0.02 0.16 10.64 -1.23 -2.93 117.38 121.51 2dit n GLN 82 Ca 0.03 0.20 0.04 0.00 -1.83 0.00 0.00 57.00 55.44 2dit n GLN 82 Cb 0.54 -1.80 -0.10 0.00 -0.86 0.00 0.00 30.24 28.02 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 -2.86 0.79 1.07 -0.39 -1.04 -1.13 -4.05 114.28 106.68 2dit n THR 83 Ca -0.09 -0.64 0.12 0.00 -2.04 0.00 0.00 64.05 61.40 2dit n THR 83 Cb 0.82 -0.42 0.15 0.00 -1.82 0.00 0.00 70.33 69.06 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 -2.66 1.10 0.00 -4.42 4.77 -0.19 -4.05 117.00 111.56 2dit n LEU 84 Ca -0.10 -0.35 0.04 0.00 -0.03 0.00 0.00 56.01 55.57 2dit n LEU 84 Cb 0.76 -0.10 0.19 0.00 -2.33 0.00 0.00 43.42 41.93 2dit n LEU 84 CO 0.43 0.23 0.57 -0.90 -1.33 0.00 0.00 177.39 176.38 2dit n ASP 85 N -0.92 0.00 0.00 -1.43 5.75 -1.15 -1.65 116.55 117.15 2dit n ASP 85 Ca 0.08 0.24 0.00 0.00 -0.01 0.00 0.00 54.79 55.10 2dit n ASP 85 Cb 0.37 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 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 -0.65 -0.72 3.37 6.12 0.00 -1.15 -3.95 105.19 108.21 2dit n GLY 86 Ca 0.03 0.00 -0.33 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 -0.80 -4.23 1.61 5.12 -0.66 -4.49 116.66 113.17 2dit n ARG 87 Ca 0.00 -0.20 -0.27 0.00 -1.93 0.00 0.00 57.85 55.45 2dit n ARG 87 Cb 0.08 -1.82 -0.17 0.00 -1.16 0.00 0.00 32.46 29.39 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 -2.34 1.72 -0.02 -1.55 0.52 -1.26 0.51 118.94 116.52 2dit s TRP 88 Ca 0.57 -0.82 0.06 0.00 0.02 0.00 0.00 56.10 55.93 2dit s TRP 88 Cb -0.18 -1.31 -0.01 0.00 -1.15 0.00 0.00 33.47 30.82 2dit s TRP 88 CO 0.67 -0.47 -0.21 -0.06 0.02 0.00 0.00 176.95 176.90 2dit s PHE 89 N 1.23 1.87 0.00 -1.98 0.40 0.33 -4.67 117.98 115.16 2dit s PHE 89 Ca -0.03 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 2dit s PHE 89 Cb -0.14 -1.21 0.00 0.00 0.51 0.00 0.00 43.02 42.18 2dit s PHE 89 CO -0.04 -0.06 0.00 0.41 0.70 0.00 0.00 175.22 176.23 2dit n GLY 90 N 2.65 0.06 0.00 4.36 0.00 -1.26 -1.04 105.19 109.95 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 -0.31 2.61 3.90 -0.02 0.00 -1.26 -5.09 105.19 105.03 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 -0.43 2.81 0.55 1.61 3.00 -0.21 -5.05 118.95 121.24 2dit s ARG 92 Ca 0.00 -1.24 -0.08 0.00 0.00 0.00 0.00 55.73 54.41 2dit s ARG 92 Cb 0.00 -2.57 -0.03 0.00 0.00 0.00 0.00 34.95 32.34 2dit s ARG 92 CO 0.00 0.04 0.90 -1.14 0.00 0.00 0.00 175.30 175.10 2dit s GLN 93 N -4.07 3.52 0.05 3.54 0.74 -1.26 0.12 119.66 122.30 2dit s GLN 93 Ca 0.43 0.43 0.01 0.00 0.05 0.00 0.00 55.36 56.29 2dit s GLN 93 Cb -0.07 -2.24 -0.03 0.00 1.10 0.00 0.00 33.01 31.78 2dit s GLN 93 CO 0.28 -0.40 -0.05 0.96 -0.55 0.00 0.00 175.29 175.52 2dit s ILE 94 N -2.96 0.41 0.17 -2.34 -4.36 0.18 -4.74 121.20 107.57 2dit s ILE 94 Ca 0.51 -1.44 0.06 0.00 -0.26 0.00 0.00 60.65 59.53 2dit s ILE 94 Cb -0.11 -1.03 -0.04 0.00 1.25 0.00 0.00 42.46 42.54 2dit s ILE 94 CO 0.49 -0.68 0.05 0.28 0.24 0.00 0.00 174.94 175.32 2dit s THR 95 N -2.57 4.00 0.12 8.37 -1.32 -1.23 -2.95 115.64 120.06 2dit s THR 95 Ca -0.02 -1.29 0.07 0.00 -1.21 0.00 0.00 61.69 59.24 2dit s THR 95 Cb -0.02 -3.02 -0.04 0.00 -1.51 0.00 0.00 72.50 67.91 2dit s THR 95 CO -0.04 -0.10 -0.16 0.00 -2.21 0.00 0.00 174.62 172.11 2dit s ALA 96 N -1.73 1.60 0.07 11.08 0.00 -1.26 -3.00 121.76 128.51 2dit s ALA 96 Ca 0.29 -1.27 -0.27 0.00 0.00 0.00 0.00 51.96 50.71 2dit s ALA 96 Cb -0.10 -0.13 0.09 0.00 0.00 0.00 0.00 23.12 22.98 2dit s ALA 96 CO 0.20 0.19 0.85 1.14 0.00 0.00 0.00 175.76 178.13 2dit s GLN 97 N -2.40 1.01 -0.19 0.00 0.00 -1.02 -4.75 119.66 112.30 2dit s GLN 97 Ca 0.08 -0.43 -0.20 0.00 -0.00 0.00 0.00 55.36 54.81 2dit s GLN 97 Cb -0.07 0.43 -0.03 0.00 0.00 0.00 0.00 33.01 33.34 2dit s GLN 97 CO 0.04 -0.45 0.59 0.00 0.00 0.00 0.00 175.29 175.47 2dit s ALA 98 N -3.29 3.53 0.69 2.60 0.00 -1.26 -0.75 121.76 123.28 2dit s ALA 98 Ca 0.06 -0.30 -0.11 0.00 0.00 0.00 0.00 51.96 51.61 2dit s ALA 98 Cb -0.01 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.21 2dit s ALA 98 CO -0.07 -0.48 1.06 -0.46 0.00 0.00 0.00 175.76 175.82 2dit s TRP 99 N 1.73 3.29 0.00 0.00 -0.00 0.65 -4.92 118.94 119.69 2dit s TRP 99 Ca 0.27 1.25 0.00 0.00 -0.00 0.00 0.00 56.10 57.63 2dit s TRP 99 Cb -0.16 -2.90 0.00 0.00 -0.00 0.00 0.00 33.47 30.41 2dit s TRP 99 CO 0.10 -1.12 0.00 -3.47 -0.00 0.00 0.00 176.95 172.46 2dit n ASP 100 N -3.02 0.00 0.00 5.86 2.03 -1.26 -4.67 116.55 115.49 2dit n ASP 100 Ca 0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.38 2dit n ASP 100 Cb 0.55 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 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 2.70 -0.34 0.00 0.27 0.00 -1.26 -4.86 105.19 101.70 2dit n GLY 101 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.12 2.61 5.66 -1.26 -5.09 114.28 115.08 2dit n THR 102 Ca 0.00 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.66 2dit n THR 102 Cb 0.00 -0.36 0.13 0.00 -1.55 0.00 0.00 70.33 68.54 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 -1.39 2.00 -0.21 1.09 -1.32 -1.26 -4.95 115.64 109.60 2dit s THR 103 Ca 0.00 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.61 2dit s THR 103 Cb 0.00 -2.43 0.44 0.00 -1.51 0.00 0.00 72.50 69.00 2dit s THR 103 CO 0.00 -0.00 1.32 0.47 -2.21 0.00 0.00 174.62 174.20 2dit n ASP 104 N -3.26 2.48 -0.19 8.08 8.00 -1.26 -4.71 116.55 125.68 2dit n ASP 104 Ca 0.14 -3.53 -0.05 0.00 0.71 0.00 0.00 54.79 52.06 2dit n ASP 104 Cb 0.50 -0.55 -0.05 0.00 -0.02 0.00 0.00 41.12 41.01 2dit n ASP 104 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2dit n TYR 105 N -1.09 -0.20 -0.04 1.24 4.01 -1.26 -3.13 117.16 116.70 2dit n TYR 105 Ca 0.24 0.57 0.00 0.00 -0.16 0.00 0.00 57.90 58.54 2dit n TYR 105 Cb 0.83 -0.50 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 2dit n TYR 105 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2dit n GLN 106 N -4.03 -0.11 -4.38 -0.72 0.00 -1.26 -5.04 117.38 101.84 2dit n GLN 106 Ca 0.01 -0.43 -0.23 0.00 0.00 0.00 0.00 57.00 56.35 2dit n GLN 106 Cb 0.12 -0.92 -0.09 0.00 0.00 0.00 0.00 30.24 29.35 2dit n GLN 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2dit s SER 107 N -0.11 4.10 0.34 2.61 0.15 -1.18 -5.15 113.70 114.46 2dit s SER 107 Ca 0.00 -0.83 -0.07 0.00 0.70 0.00 0.00 55.95 55.75 2dit s SER 107 Cb 0.00 -0.59 0.01 0.00 -1.71 0.00 0.00 66.02 63.73 2dit s SER 107 CO 0.00 0.01 0.54 -0.83 1.20 0.00 0.00 173.24 174.16 2dit s GLY 108 N -3.60 1.12 0.98 9.45 0.00 -1.26 -4.24 107.32 109.76 2dit s GLY 108 Ca 0.31 -1.27 -0.12 0.00 0.00 0.00 0.00 44.72 43.64 2dit s GLY 108 CO 0.18 -0.81 1.09 2.56 0.00 0.00 0.00 173.10 176.12 2dit s PRO 109 N -3.07 0.62 -0.13 2.90 0.04 -1.26 -5.02 135.00 129.08 2dit s PRO 109 Ca 0.26 0.59 -0.09 0.00 0.04 0.00 0.00 61.00 61.81 2dit s PRO 109 Cb -0.01 -1.75 -0.06 0.00 0.04 0.00 0.00 34.50 32.71 2dit s PRO 109 CO 0.17 -2.62 0.06 1.03 0.04 0.00 0.00 177.00 175.67 2dit h SER 110 N -1.82 0.00 -2.27 6.66 0.87 -2.08 -3.47 113.55 111.44 2dit h SER 110 Ca -0.53 -0.18 -0.42 0.00 -1.23 0.00 0.00 61.79 59.43 2dit h SER 110 Cb 1.32 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.20 2dit h SER 110 CO 0.57 0.75 -0.48 -1.20 -0.53 0.00 0.00 176.83 175.93 2dit n SER 111 N -4.67 -5.77 0.00 6.23 7.64 -1.26 -5.36 113.62 110.43 2dit n SER 111 Ca -0.07 0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2dit n SER 111 Cb 0.22 -4.91 0.00 0.00 -1.01 0.00 0.00 64.21 58.51 2dit n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64