#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 1.38 -0.18 1.61 0.15 -1.26 -5.14 113.70 110.26 2dit s SER 2 Ca 0.00 -0.39 -0.01 0.00 0.70 0.00 0.00 55.95 56.25 2dit s SER 2 Cb 0.00 -0.09 -0.00 0.00 -1.71 0.00 0.00 66.02 64.22 2dit s SER 2 CO 0.00 0.02 -0.12 -0.44 1.20 0.00 0.00 173.24 173.90 2dit s SER 3 N -0.95 3.80 0.00 5.45 0.01 -1.26 -4.24 113.70 116.51 2dit s SER 3 Ca 0.00 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.80 2dit s SER 3 Cb -0.07 -1.61 0.00 0.00 0.21 0.00 0.00 66.02 64.55 2dit s SER 3 CO 0.01 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.31 2dit n GLY 4 N 4.35 1.74 0.39 3.44 0.00 -1.26 -5.01 105.19 108.83 2dit n GLY 4 Ca -0.19 -0.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 2dit n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dit n SER 5 N 0.00 1.41 -0.11 1.61 2.88 -1.26 -4.82 113.62 113.34 2dit n SER 5 Ca 0.00 0.23 -0.24 0.00 -1.33 0.00 0.00 58.87 57.53 2dit n SER 5 Cb 0.00 -0.57 -0.11 0.00 -0.75 0.00 0.00 64.21 62.78 2dit n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dit n SER 6 N -3.85 1.93 0.00 -3.46 2.88 -1.26 -5.11 113.62 104.76 2dit n SER 6 Ca -0.38 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 2dit n SER 6 Cb 0.78 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 2dit n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dit n GLY 7 N 1.50 0.03 0.00 0.46 0.00 -1.26 -5.10 105.19 100.81 2dit n GLY 7 Ca -0.41 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 43.81 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 1.46 3.59 -0.02 0.00 -1.26 -4.79 105.19 104.18 2dit n GLY 8 Ca 0.00 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.00 3.29 -0.04 1.61 0.04 -1.26 -4.96 135.00 131.68 2dit s PRO 9 Ca 0.00 1.21 0.06 0.00 0.04 0.00 0.00 61.00 62.30 2dit s PRO 9 Cb 0.00 -4.19 -0.01 0.00 0.04 0.00 0.00 34.50 30.34 2dit s PRO 9 CO 0.00 -1.91 -0.21 0.45 0.04 0.00 0.00 177.00 175.37 2dit s SER 10 N 5.89 2.58 -1.03 6.66 0.15 -1.26 -4.96 113.70 121.73 2dit s SER 10 Ca 0.74 -0.42 -0.27 0.00 0.70 0.00 0.00 55.95 56.70 2dit s SER 10 Cb -0.19 -0.60 -0.22 0.00 -1.71 0.00 0.00 66.02 63.30 2dit s SER 10 CO 0.32 0.21 2.18 0.54 1.20 0.00 0.00 173.24 177.69 2dit n ARG 11 N 2.92 0.18 -1.48 5.44 5.12 -1.26 -4.82 116.66 122.77 2dit n ARG 11 Ca -0.17 -1.53 -0.44 0.00 -1.93 0.00 0.00 57.85 53.78 2dit n ARG 11 Cb 0.52 -3.90 -0.10 0.00 -1.16 0.00 0.00 32.46 27.83 2dit n ARG 11 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dit n MET 12 N 8.26 0.53 -0.33 5.56 0.00 -1.26 -4.75 117.12 125.13 2dit n MET 12 Ca 0.42 0.07 0.24 0.00 0.00 0.00 0.00 57.70 58.42 2dit n MET 12 Cb 0.46 -2.24 0.44 0.00 0.00 0.00 0.00 33.22 31.88 2dit n MET 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2dit n ARG 13 N 8.47 -0.07 -2.10 3.17 5.12 -1.26 -3.22 116.66 126.77 2dit n ARG 13 Ca 0.51 1.42 -0.29 0.00 -1.93 0.00 0.00 57.85 57.57 2dit n ARG 13 Cb 0.21 -2.41 -0.06 0.00 -1.16 0.00 0.00 32.46 29.04 2dit n ARG 13 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 2dit s HIS 14 N -5.74 1.99 0.22 -1.55 -3.43 -1.26 -4.93 115.29 100.59 2dit s HIS 14 Ca -0.11 0.36 -0.11 0.00 -0.80 0.00 0.00 55.06 54.40 2dit s HIS 14 Cb 0.32 -4.04 -0.07 0.00 -1.43 0.00 0.00 32.58 27.35 2dit s HIS 14 CO 0.77 -1.25 0.57 -1.21 -2.00 0.00 0.00 174.74 171.62 2dit s GLU 15 N 6.37 3.87 -0.61 -0.38 2.02 -1.20 -5.05 118.70 123.72 2dit s GLU 15 Ca 0.68 0.38 -0.15 0.00 0.02 0.00 0.00 54.97 55.89 2dit s GLU 15 Cb -0.01 -2.70 0.15 0.00 0.10 0.00 0.00 34.13 31.68 2dit s GLU 15 CO 0.12 0.34 0.57 1.03 0.02 0.00 0.00 175.26 177.34 2dit s ARG 16 N -2.61 3.14 -0.08 1.61 1.81 -1.25 -5.00 118.95 116.58 2dit s ARG 16 Ca 0.46 -1.91 0.03 0.00 -1.72 0.00 0.00 55.73 52.58 2dit s ARG 16 Cb -0.12 -4.32 -0.02 0.00 -0.45 0.00 0.00 34.95 30.04 2dit s ARG 16 CO 0.20 -1.32 -0.15 0.08 -0.68 0.00 0.00 175.30 173.43 2dit s VAL 17 N 1.21 2.91 0.04 3.52 1.01 -1.26 0.12 120.40 127.95 2dit s VAL 17 Ca 0.07 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.34 2dit s VAL 17 Cb -0.25 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 2dit s VAL 17 CO -0.00 0.57 -0.07 0.68 0.00 0.00 0.00 175.10 176.27 2dit s VAL 18 N -0.29 3.59 0.00 2.92 -7.23 -0.44 -0.53 120.40 118.42 2dit s VAL 18 Ca 0.02 -0.94 0.02 0.00 -1.81 0.00 0.00 61.98 59.27 2dit s VAL 18 Cb -0.13 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 2dit s VAL 18 CO 0.03 0.28 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.45 2dit s ILE 19 N -1.09 4.01 0.00 -0.62 -1.09 0.13 -1.93 121.20 120.61 2dit s ILE 19 Ca 0.19 -0.65 0.04 0.00 -2.23 0.00 0.00 60.65 58.00 2dit s ILE 19 Cb -0.11 -2.78 -0.01 0.00 -1.58 0.00 0.00 42.46 37.98 2dit s ILE 19 CO 0.10 0.38 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.44 2dit s ILE 20 N -1.06 0.99 0.20 2.92 -1.09 -1.23 -2.35 121.20 119.58 2dit s ILE 20 Ca 0.19 -0.63 0.09 0.00 -2.23 0.00 0.00 60.65 58.07 2dit s ILE 20 Cb -0.11 -0.84 -0.04 0.00 -1.58 0.00 0.00 42.46 39.88 2dit s ILE 20 CO 0.09 0.21 -0.17 -0.54 -1.23 0.00 0.00 174.94 173.30 2dit s LYS 21 N -0.48 1.37 -1.20 2.79 3.01 -1.17 -2.93 119.74 121.13 2dit s LYS 21 Ca 0.04 -1.54 -0.07 0.00 -1.01 0.00 0.00 55.97 53.39 2dit s LYS 21 Cb -0.05 -1.35 -0.02 0.00 -1.01 0.00 0.00 37.83 35.40 2dit s LYS 21 CO -0.00 0.25 0.79 -1.71 0.51 0.00 0.00 175.35 175.19 2dit n ASN 22 N -0.11 -3.57 0.00 2.83 5.15 -0.70 -3.40 115.26 115.46 2dit n ASN 22 Ca -0.10 -0.84 0.00 0.00 -0.60 0.00 0.00 54.58 53.04 2dit n ASN 22 Cb 0.59 -4.18 0.00 0.00 -0.53 0.00 0.00 39.78 35.66 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 -4.01 2.12 -3.98 1.20 0.00 -1.25 -4.27 117.12 106.93 2dit n MET 23 Ca -0.19 0.00 -0.12 0.00 0.00 0.00 0.00 57.70 57.39 2dit n MET 23 Cb 0.64 -0.88 -0.02 0.00 0.00 0.00 0.00 33.22 32.96 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 -1.62 0.65 -0.11 3.17 -0.12 -1.26 -4.29 117.98 114.40 2dit s PHE 24 Ca 0.00 -1.05 -0.11 0.00 -0.05 0.00 0.00 56.93 55.73 2dit s PHE 24 Cb 0.00 0.26 0.03 0.00 -0.63 0.00 0.00 43.02 42.68 2dit s PHE 24 CO 0.00 -1.26 0.30 -1.58 -0.05 0.00 0.00 175.22 172.63 2dit s HIS 25 N -2.95 -0.32 0.32 3.49 2.46 -1.26 -2.78 115.29 114.25 2dit s HIS 25 Ca 0.24 0.77 0.12 0.00 0.47 0.00 0.00 55.06 56.66 2dit s HIS 25 Cb -0.02 0.11 0.55 0.00 -0.13 0.00 0.00 32.58 33.09 2dit s HIS 25 CO 0.16 -0.17 1.72 -1.00 -2.47 0.00 0.00 174.74 172.98 2dit h PRO 26 N 5.56 0.00 0.00 2.88 0.13 -1.81 -2.59 132.00 136.18 2dit h PRO 26 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2dit h PRO 26 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2dit h PRO 26 CO 0.32 0.49 0.00 -0.12 -0.23 0.00 0.00 178.00 178.46 2dit n MET 27 N -3.95 0.12 -0.02 0.86 1.56 -1.26 -2.83 117.12 111.59 2dit n MET 27 Ca -0.02 0.14 -0.16 0.00 -0.27 0.00 0.00 57.70 57.39 2dit n MET 27 Cb 0.51 -1.50 -0.14 0.00 2.15 0.00 0.00 33.22 34.24 2dit n MET 27 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2dit n ASP 28 N -1.41 1.60 0.22 6.12 -0.08 -0.98 -4.10 116.55 117.92 2dit n ASP 28 Ca 0.07 0.22 0.08 0.00 -1.51 0.00 0.00 54.79 53.64 2dit n ASP 28 Cb 0.20 -0.45 0.51 0.00 2.34 0.00 0.00 41.12 43.72 2dit n ASP 28 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2dit h PHE 29 N 0.04 0.00 -0.05 -0.67 0.04 -1.52 -2.43 116.94 112.34 2dit h PHE 29 Ca -0.41 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.29 2dit h PHE 29 Cb 2.03 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 40.17 2dit h PHE 29 CO 0.04 0.25 -0.33 0.93 -0.60 0.00 0.00 178.31 178.61 2dit h GLU 30 N 0.00 0.09 0.00 1.51 4.39 -1.70 -2.70 114.58 116.17 2dit h GLU 30 Ca -0.00 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.51 2dit h GLU 30 Cb 0.56 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 2dit h GLU 30 CO 0.03 0.41 -0.96 0.22 -1.16 0.00 0.00 179.01 177.55 2dit h ASP 31 N 0.08 0.00 -2.54 1.42 1.82 -1.61 -3.47 116.42 112.11 2dit h ASP 31 Ca 0.01 0.00 0.14 0.00 -0.39 0.00 0.00 57.03 56.79 2dit h ASP 31 Cb 0.62 0.00 -0.30 0.00 0.68 0.00 0.00 39.33 40.33 2dit h ASP 31 CO 0.05 0.67 0.70 -1.81 -1.61 0.00 0.00 179.24 177.24 2dit s ASP 32 N -6.30 -0.22 0.19 2.28 1.01 -1.02 -5.05 116.67 107.56 2dit s ASP 32 Ca 0.01 0.42 -0.05 0.00 0.71 0.00 0.00 52.55 53.63 2dit s ASP 32 Cb 0.08 0.48 0.11 0.00 1.01 0.00 0.00 42.92 44.60 2dit s ASP 32 CO 0.79 -0.07 1.54 1.55 0.21 0.00 0.00 175.17 179.18 2dit h PRO 33 N 3.76 0.71 -0.91 8.23 0.13 -1.85 -3.24 132.00 138.82 2dit h PRO 33 Ca -0.28 -0.37 0.23 0.00 -0.87 0.00 0.00 66.00 64.71 2dit h PRO 33 Cb 1.19 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 32.16 2dit h PRO 33 CO 0.16 0.99 -0.07 1.28 -0.23 0.00 0.00 178.00 180.13 2dit n LEU 34 N -4.03 -0.18 -0.25 1.56 7.99 -1.26 -0.11 117.00 120.71 2dit n LEU 34 Ca -0.02 1.56 -0.08 0.00 -0.01 0.00 0.00 56.01 57.46 2dit n LEU 34 Cb 0.54 -0.54 -0.04 0.00 -0.11 0.00 0.00 43.42 43.27 2dit n LEU 34 CO 0.47 -1.55 0.55 0.58 -1.51 0.00 0.00 177.39 175.93 2dit h VAL 35 N 0.00 0.05 -0.38 4.08 2.07 -1.88 0.36 116.25 120.56 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 0.98 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2dit h VAL 35 CO -0.89 0.00 -0.07 0.25 0.02 0.00 0.00 177.57 176.88 2dit h LEU 36 N -0.18 0.61 0.73 2.57 5.85 -0.73 -1.74 115.31 122.41 2dit h LEU 36 Ca 0.19 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 2dit h LEU 36 Cb 0.55 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.42 2dit h LEU 36 CO -0.76 0.73 -0.35 0.78 -0.34 0.00 0.00 178.44 178.50 2dit h ASN 37 N 0.59 -0.83 -0.85 1.25 2.35 0.51 0.18 115.58 118.77 2dit h ASN 37 Ca 0.11 0.03 0.09 0.00 -0.55 0.00 0.00 56.30 55.98 2dit h ASN 37 Cb 0.48 0.21 -0.07 0.00 0.05 0.00 0.00 38.32 38.99 2dit h ASN 37 CO 0.03 -0.59 0.50 1.05 -1.65 0.00 0.00 177.43 176.76 2dit h GLU 38 N -0.98 0.82 0.31 0.81 4.11 -0.47 -1.14 114.58 118.03 2dit h GLU 38 Ca -0.10 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.27 2dit h GLU 38 Cb 0.75 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2dit h GLU 38 CO 0.16 0.54 -0.15 0.82 0.07 0.00 0.00 179.01 180.45 2dit h ILE 39 N 0.84 0.70 0.54 -1.06 2.04 -1.21 0.82 117.51 120.18 2dit h ILE 39 Ca 0.40 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 66.21 2dit h ILE 39 Cb 0.35 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2dit h ILE 39 CO -0.24 0.01 -0.50 -0.09 0.00 0.00 0.00 178.15 177.33 2dit h ARG 40 N -0.44 -1.00 -0.74 2.37 2.43 -0.19 -1.49 114.38 115.32 2dit h ARG 40 Ca -0.04 0.07 0.14 0.00 -0.81 0.00 0.00 59.98 59.34 2dit h ARG 40 Cb 0.34 0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 30.07 2dit h ARG 40 CO 0.07 -0.66 0.50 1.05 -1.51 0.00 0.00 179.97 179.41 2dit h GLU 41 N -1.03 0.41 -0.42 0.20 4.11 -1.23 -1.00 114.58 115.62 2dit h GLU 41 Ca -0.07 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.33 2dit h GLU 41 Cb 0.89 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 2dit h GLU 41 CO -0.04 0.27 0.23 -0.44 0.07 0.00 0.00 179.01 179.10 2dit h ASP 42 N 0.43 0.53 0.36 3.06 3.32 -0.09 0.96 116.42 124.99 2dit h ASP 42 Ca 0.36 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 2dit h ASP 42 Cb 0.81 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 2dit h ASP 42 CO -0.12 0.47 -0.20 -0.07 -1.72 0.00 0.00 179.24 177.60 2dit h LEU 43 N 0.55 0.00 0.03 1.55 3.38 -0.20 0.34 115.31 120.96 2dit h LEU 43 Ca 0.15 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.88 2dit h LEU 43 Cb 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2dit h LEU 43 CO -0.02 0.20 -1.18 -0.09 0.09 0.00 0.00 178.44 177.43 2dit h ARG 44 N 0.00 0.05 0.00 1.13 2.43 -0.88 -2.83 114.38 114.28 2dit h ARG 44 Ca -0.00 -0.09 -0.09 0.00 -0.81 0.00 0.00 59.98 58.99 2dit h ARG 44 Cb 0.44 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2dit h ARG 44 CO 0.03 0.96 -0.97 -0.39 -1.51 0.00 0.00 179.97 178.08 2dit h VAL 45 N 0.01 0.37 0.04 0.20 -1.51 -0.36 -2.86 116.25 112.16 2dit h VAL 45 Ca -0.09 -1.65 -0.07 0.00 -1.23 0.00 0.00 66.70 63.66 2dit h VAL 45 Cb 1.85 1.95 0.01 0.00 -2.13 0.00 0.00 31.29 32.97 2dit h VAL 45 CO 0.13 0.21 -0.31 1.05 -1.23 0.00 0.00 177.57 177.42 2dit h GLU 46 N 0.00 0.14 0.00 5.19 4.11 -0.41 -3.14 114.58 120.46 2dit h GLU 46 Ca -0.07 -0.21 0.00 0.00 0.07 0.00 0.00 59.36 59.16 2dit h GLU 46 Cb 1.32 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.64 2dit h GLU 46 CO 0.03 1.04 0.00 0.00 0.07 0.00 0.00 179.01 180.16 2dit h SER 48 N 0.00 0.00 -0.66 0.00 0.87 -1.57 -3.27 113.55 108.91 2dit h SER 48 Ca 0.00 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.67 2dit h SER 48 Cb 0.70 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.58 2dit h SER 48 CO 0.00 0.15 0.25 0.11 -0.53 0.00 0.00 176.83 176.82 2dit h LYS 49 N 0.00 0.41 0.01 2.24 1.79 -1.48 -1.19 116.57 118.36 2dit h LYS 49 Ca -0.00 -0.02 -0.20 0.00 -2.18 0.00 0.00 60.65 58.25 2dit h LYS 49 Cb 1.12 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.65 2dit h LYS 49 CO 0.02 0.27 -0.91 0.74 -1.08 0.00 0.00 179.45 178.49 2dit h PHE 50 N 0.43 0.13 0.00 -1.35 -1.00 -1.77 -3.48 116.94 109.89 2dit h PHE 50 Ca 0.35 -0.08 0.00 0.00 2.81 0.00 0.00 57.97 61.05 2dit h PHE 50 Cb 0.46 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.01 2dit h PHE 50 CO -0.17 0.94 0.00 0.41 -1.61 0.00 0.00 178.31 177.88 2dit n GLY 51 N 1.01 0.71 3.23 -1.45 0.00 -0.45 -4.94 105.19 103.30 2dit n GLY 51 Ca -0.02 0.39 -0.16 0.00 0.00 0.00 0.00 46.02 46.24 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 0.59 -3.95 1.61 6.02 -1.25 -4.61 117.38 115.79 2dit n GLN 52 Ca 0.00 -2.90 -0.31 0.00 -0.01 0.00 0.00 57.00 53.78 2dit n GLN 52 Cb 0.00 2.64 -0.15 0.00 1.02 0.00 0.00 30.24 33.75 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 -2.97 1.68 0.18 5.09 -1.09 -1.26 -4.57 121.20 118.26 2dit s ILE 53 Ca 0.32 -1.50 0.16 0.00 -2.23 0.00 0.00 60.65 57.40 2dit s ILE 53 Cb -0.00 -2.01 0.08 0.00 -1.58 0.00 0.00 42.46 38.95 2dit s ILE 53 CO 0.23 -0.24 1.68 0.03 -1.23 0.00 0.00 174.94 175.40 2dit h ARG 54 N 7.88 0.00 -1.74 2.79 -0.00 -1.84 -3.45 114.38 118.02 2dit h ARG 54 Ca -0.15 0.00 0.06 0.00 -0.50 0.00 0.00 59.98 59.39 2dit h ARG 54 Cb 1.05 0.00 -0.24 0.00 0.00 0.00 0.00 29.97 30.78 2dit h ARG 54 CO 0.44 0.46 0.26 0.15 0.00 0.00 0.00 179.97 181.28 2dit s LYS 55 N -3.56 0.55 -0.21 0.04 -0.14 -1.25 -5.00 119.74 110.18 2dit s LYS 55 Ca -0.00 0.86 -0.00 0.00 -1.36 0.00 0.00 55.97 55.47 2dit s LYS 55 Cb 0.11 0.16 0.05 0.00 -1.68 0.00 0.00 37.83 36.48 2dit s LYS 55 CO 0.71 -0.10 -0.04 -1.17 -0.76 0.00 0.00 175.35 173.99 2dit s LEU 56 N 1.13 2.06 -0.15 3.17 2.96 -1.26 -0.01 118.68 126.58 2dit s LEU 56 Ca -0.06 -0.95 0.01 0.00 -0.22 0.00 0.00 54.13 52.91 2dit s LEU 56 Cb -0.04 -1.02 0.00 0.00 0.50 0.00 0.00 46.19 45.62 2dit s LEU 56 CO -0.13 -0.22 -0.17 -0.76 -1.32 0.00 0.00 176.35 173.74 2dit s LEU 57 N 1.53 2.37 -0.32 -0.68 1.02 -0.45 -5.00 118.68 117.14 2dit s LEU 57 Ca -0.03 -0.51 -0.08 0.00 0.02 0.00 0.00 54.13 53.54 2dit s LEU 57 Cb -0.17 -1.52 0.02 0.00 0.02 0.00 0.00 46.19 44.53 2dit s LEU 57 CO -0.07 0.09 0.12 -0.22 0.02 0.00 0.00 176.35 176.29 2dit s LEU 58 N 0.77 4.16 -1.48 1.79 0.20 -1.26 0.17 118.68 123.03 2dit s LEU 58 Ca -0.07 -0.84 -0.09 0.00 0.69 0.00 0.00 54.13 53.82 2dit s LEU 58 Cb -0.16 -1.92 0.01 0.00 -0.43 0.00 0.00 46.19 43.70 2dit s LEU 58 CO 0.00 -0.26 2.57 0.49 -0.29 0.00 0.00 176.35 178.87 2dit n PHE 59 N 4.90 2.71 -0.17 5.38 3.72 -0.25 -4.71 117.46 129.03 2dit n PHE 59 Ca -0.13 -2.97 0.29 0.00 -0.05 0.00 0.00 57.45 54.59 2dit n PHE 59 Cb 0.47 -2.28 0.67 0.00 -0.94 0.00 0.00 39.48 37.41 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 5.15 0.00 0.69 4.37 2.03 -1.95 -1.07 116.42 125.63 2dit h ASP 60 Ca 0.73 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 57.00 2dit h ASP 60 Cb 0.38 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.88 2dit h ASP 60 CO 1.71 0.00 -0.49 0.03 -1.03 0.00 0.00 179.24 179.46 2dit h ARG 61 N 0.00 -1.08 -6.13 4.15 -0.00 -1.92 -3.33 114.38 106.08 2dit h ARG 61 Ca 0.44 0.07 -0.70 0.00 -0.50 0.00 0.00 59.98 59.29 2dit h ARG 61 Cb 2.11 0.25 0.01 0.00 0.00 0.00 0.00 29.97 32.33 2dit h ARG 61 CO -0.00 -0.72 1.07 1.58 0.00 0.00 0.00 179.97 181.90 2dit n HIS 62 N -5.49 1.98 0.98 3.04 -0.00 -0.41 -4.76 115.22 110.57 2dit n HIS 62 Ca -0.14 0.38 0.05 0.00 0.46 0.00 0.00 57.72 58.48 2dit n HIS 62 Cb 0.48 -2.51 0.29 0.00 -0.12 0.00 0.00 29.99 28.13 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 6.35 0.49 -0.66 1.57 -0.04 -1.26 -2.33 135.00 139.12 2dit n PRO 63 Ca 0.30 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.78 2dit n PRO 63 Cb 0.18 -1.32 0.25 0.00 -0.04 0.00 0.00 33.50 32.57 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 3.69 -3.38 3.54 8.00 -1.26 -4.80 116.55 121.53 2dit n ASP 64 Ca 0.07 -3.27 -0.21 0.00 0.71 0.00 0.00 54.79 52.10 2dit n ASP 64 Cb 0.03 -0.61 0.01 0.00 -0.02 0.00 0.00 41.12 40.54 2dit n ASP 64 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dit n GLY 65 N -0.62 -0.86 3.49 0.44 0.00 -0.98 -1.71 105.19 104.94 2dit n GLY 65 Ca 0.29 0.88 -0.33 0.00 0.00 0.00 0.00 46.02 46.85 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 -2.47 3.55 0.24 1.61 1.01 -1.25 -2.76 120.40 120.33 2dit s VAL 66 Ca 0.16 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.66 2dit s VAL 66 Cb -0.03 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 2dit s VAL 66 CO 0.84 0.54 0.08 0.00 0.00 0.00 0.00 175.10 176.56 2dit s ALA 67 N -0.06 1.64 -0.27 5.51 0.00 -1.15 -1.09 121.76 126.33 2dit s ALA 67 Ca -0.00 -1.82 -0.02 0.00 0.00 0.00 0.00 51.96 50.12 2dit s ALA 67 Cb -0.13 0.99 0.09 0.00 0.00 0.00 0.00 23.12 24.06 2dit s ALA 67 CO 0.03 -0.44 0.09 0.45 0.00 0.00 0.00 175.76 175.89 2dit s SER 68 N -3.28 3.57 -0.46 0.00 0.15 0.13 -3.53 113.70 110.27 2dit s SER 68 Ca 0.36 -1.31 -0.15 0.00 0.70 0.00 0.00 55.95 55.54 2dit s SER 68 Cb 0.08 -0.64 0.06 0.00 -1.71 0.00 0.00 66.02 63.80 2dit s SER 68 CO 0.12 -0.39 0.38 -0.69 1.20 0.00 0.00 173.24 173.86 2dit s VAL 69 N 1.82 5.22 0.28 4.45 1.01 -0.81 -1.34 120.40 131.03 2dit s VAL 69 Ca 0.07 -1.00 -0.27 0.00 0.00 0.00 0.00 61.98 60.77 2dit s VAL 69 Cb -0.17 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 32.03 2dit s VAL 69 CO -0.24 -0.53 0.92 -0.55 0.00 0.00 0.00 175.10 174.70 2dit s SER 70 N 2.44 7.43 0.40 3.32 0.15 0.99 -1.33 113.70 127.10 2dit s SER 70 Ca 0.04 1.84 0.04 0.00 0.70 0.00 0.00 55.95 58.57 2dit s SER 70 Cb -0.23 -2.58 -0.05 0.00 -1.71 0.00 0.00 66.02 61.45 2dit s SER 70 CO 0.07 0.03 0.05 -0.36 1.20 0.00 0.00 173.24 174.23 2dit s PHE 71 N -1.45 2.03 -0.02 3.44 0.40 0.33 -2.85 117.98 119.86 2dit s PHE 71 Ca 0.46 -0.97 0.01 0.00 -0.60 0.00 0.00 56.93 55.83 2dit s PHE 71 Cb -0.21 -1.43 -0.02 0.00 0.51 0.00 0.00 43.02 41.87 2dit s PHE 71 CO 0.26 0.08 -0.01 -2.13 0.70 0.00 0.00 175.22 174.13 2dit n ARG 72 N -0.91 1.79 -4.17 0.44 3.00 -1.26 -3.89 116.66 111.65 2dit n ARG 72 Ca -0.07 0.01 -0.36 0.00 -0.00 0.00 0.00 57.85 57.43 2dit n ARG 72 Cb 0.66 -1.04 -0.08 0.00 0.00 0.00 0.00 32.46 32.00 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 -3.72 5.65 0.25 6.15 1.11 -1.26 -4.92 116.67 119.93 2dit s ASP 73 Ca -0.02 0.24 0.02 0.00 0.18 0.00 0.00 52.55 52.97 2dit s ASP 73 Cb 0.01 -1.73 0.30 0.00 1.07 0.00 0.00 42.92 42.56 2dit s ASP 73 CO 0.05 0.36 1.62 1.55 1.18 0.00 0.00 175.17 179.93 2dit h PRO 74 N 5.33 0.39 -0.53 8.23 0.13 -1.99 -2.91 132.00 140.65 2dit h PRO 74 Ca -0.50 -0.21 -0.06 0.00 -0.87 0.00 0.00 66.00 64.37 2dit h PRO 74 Cb 1.20 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2dit h PRO 74 CO 0.58 0.77 0.10 0.93 -0.23 0.00 0.00 178.00 180.14 2dit h GLU 75 N 0.32 0.86 0.32 0.86 5.08 -1.97 -1.60 114.58 118.44 2dit h GLU 75 Ca 0.02 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 2dit h GLU 75 Cb 0.92 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2dit h GLU 75 CO 0.08 0.83 -0.15 0.93 -1.00 0.00 0.00 179.01 179.70 2dit h GLU 76 N 0.75 -0.41 -0.10 2.33 3.07 -1.91 -2.19 114.58 116.12 2dit h GLU 76 Ca 0.16 0.03 0.02 0.00 -0.50 0.00 0.00 59.36 59.07 2dit h GLU 76 Cb 0.38 0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.35 2dit h GLU 76 CO 0.01 -0.27 -0.31 0.00 -1.40 0.00 0.00 179.01 177.03 2dit h ALA 77 N -1.74 -0.68 -0.70 3.43 0.00 -1.59 1.66 119.26 119.64 2dit h ALA 77 Ca -0.04 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.04 2dit h ALA 77 Cb 0.33 0.84 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2dit h ALA 77 CO 0.07 -0.80 0.83 0.22 0.00 0.00 0.00 179.25 179.58 2dit h ASP 78 N -0.32 0.00 0.24 0.00 1.82 -1.40 1.52 116.42 118.27 2dit h ASP 78 Ca 0.02 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.62 2dit h ASP 78 Cb 0.38 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.38 2dit h ASP 78 CO -0.26 0.00 -1.80 0.00 -1.61 0.00 0.00 179.24 175.57 2dit n TYR 79 N -3.43 0.25 0.09 0.28 9.36 0.81 -4.12 117.16 120.39 2dit n TYR 79 Ca 0.15 0.07 -0.15 0.00 3.32 0.00 0.00 57.90 61.29 2dit n TYR 79 Cb 1.07 -0.67 -0.14 0.00 -0.63 0.00 0.00 39.34 38.97 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 0.06 0.34 0.00 0.00 -0.00 -0.82 0.72 117.51 117.82 2dit h ILE 81 Ca -0.15 -0.77 -0.19 0.00 -0.00 0.00 0.00 64.86 63.75 2dit h ILE 81 Cb 1.96 1.58 -0.03 0.00 -0.00 0.00 0.00 36.82 40.33 2dit h ILE 81 CO 0.19 0.12 -1.54 0.00 -0.00 0.00 0.00 178.15 176.91 2dit n GLN 82 N -3.31 0.63 0.01 0.16 10.64 -1.23 -3.17 117.38 121.11 2dit n GLN 82 Ca -0.00 0.20 0.04 0.00 -1.83 0.00 0.00 57.00 55.40 2dit n GLN 82 Cb 0.34 -1.77 -0.11 0.00 -0.86 0.00 0.00 30.24 27.84 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 -2.87 0.71 1.13 -0.39 -1.04 -1.04 -4.07 114.28 106.71 2dit n THR 83 Ca -0.12 -0.63 0.12 0.00 -2.04 0.00 0.00 64.05 61.38 2dit n THR 83 Cb 0.87 -0.36 0.26 0.00 -1.82 0.00 0.00 70.33 69.28 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 -2.61 1.02 0.02 -4.42 4.77 0.25 -3.89 117.00 112.14 2dit n LEU 84 Ca -0.10 -0.28 0.08 0.00 -0.03 0.00 0.00 56.01 55.68 2dit n LEU 84 Cb 0.75 -0.13 0.36 0.00 -2.33 0.00 0.00 43.42 42.07 2dit n LEU 84 CO 0.43 0.20 0.76 -0.90 -1.33 0.00 0.00 177.39 176.56 2dit n ASP 85 N -0.86 0.11 -0.02 -1.43 5.75 -1.19 -2.52 116.55 116.39 2dit n ASP 85 Ca 0.09 0.52 0.00 0.00 -0.01 0.00 0.00 54.79 55.40 2dit n ASP 85 Cb 0.36 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 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 0.11 -1.16 3.40 6.12 0.00 -1.13 -3.82 105.19 108.71 2dit n GLY 86 Ca 0.04 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.08 -0.99 -4.11 1.61 5.12 -1.05 -4.51 116.66 112.66 2dit n ARG 87 Ca 0.00 -0.25 -0.28 0.00 -1.93 0.00 0.00 57.85 55.39 2dit n ARG 87 Cb 0.02 -1.90 -0.17 0.00 -1.16 0.00 0.00 32.46 29.25 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 -2.37 1.77 -0.03 -1.55 0.52 -1.26 0.59 118.94 116.62 2dit s TRP 88 Ca 0.59 -0.90 0.07 0.00 0.02 0.00 0.00 56.10 55.88 2dit s TRP 88 Cb -0.19 -1.36 -0.01 0.00 -1.15 0.00 0.00 33.47 30.76 2dit s TRP 88 CO 0.66 -0.53 -0.23 -0.06 0.02 0.00 0.00 176.95 176.81 2dit s PHE 89 N 1.40 2.07 0.00 -1.98 0.40 0.34 -4.65 117.98 115.56 2dit s PHE 89 Ca 0.01 -0.45 0.00 0.00 -0.60 0.00 0.00 56.93 55.89 2dit s PHE 89 Cb -0.13 -1.34 0.00 0.00 0.51 0.00 0.00 43.02 42.05 2dit s PHE 89 CO -0.07 -0.08 0.00 0.41 0.70 0.00 0.00 175.22 176.19 2dit n GLY 90 N 2.66 0.12 0.00 4.36 0.00 -1.26 -1.17 105.19 109.89 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 -0.95 2.09 3.79 -0.02 0.00 -1.26 -5.09 105.19 103.75 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 -0.37 2.62 0.61 1.61 1.70 -0.32 -5.05 118.95 119.75 2dit s ARG 92 Ca 0.00 -1.33 -0.12 0.00 -0.47 0.00 0.00 55.73 53.81 2dit s ARG 92 Cb 0.00 -2.38 -0.04 0.00 -0.57 0.00 0.00 34.95 31.96 2dit s ARG 92 CO 0.00 0.18 1.03 -1.14 -1.08 0.00 0.00 175.30 174.29 2dit s GLN 93 N -3.89 3.60 0.06 3.89 0.74 -1.26 0.13 119.66 122.92 2dit s GLN 93 Ca 0.38 0.78 0.01 0.00 0.05 0.00 0.00 55.36 56.58 2dit s GLN 93 Cb -0.05 -2.08 -0.03 0.00 1.10 0.00 0.00 33.01 31.94 2dit s GLN 93 CO 0.24 -0.57 -0.05 0.96 -0.55 0.00 0.00 175.29 175.32 2dit s ILE 94 N -3.12 0.44 0.19 -2.34 -4.36 0.20 -4.73 121.20 107.48 2dit s ILE 94 Ca 0.56 -1.52 0.07 0.00 -0.26 0.00 0.00 60.65 59.50 2dit s ILE 94 Cb -0.11 -1.13 -0.04 0.00 1.25 0.00 0.00 42.46 42.43 2dit s ILE 94 CO 0.52 -0.72 0.02 0.28 0.24 0.00 0.00 174.94 175.28 2dit s THR 95 N -2.77 3.78 0.07 8.37 -1.32 -1.22 -2.85 115.64 119.70 2dit s THR 95 Ca 0.00 -1.45 0.04 0.00 -1.21 0.00 0.00 61.69 59.07 2dit s THR 95 Cb -0.00 -2.92 -0.03 0.00 -1.51 0.00 0.00 72.50 68.04 2dit s THR 95 CO -0.04 -0.15 -0.11 0.00 -2.21 0.00 0.00 174.62 172.12 2dit s ALA 96 N -1.81 0.91 0.15 11.08 0.00 -1.26 -3.03 121.76 127.81 2dit s ALA 96 Ca 0.28 -0.96 -0.25 0.00 0.00 0.00 0.00 51.96 51.04 2dit s ALA 96 Cb -0.09 -0.01 0.06 0.00 0.00 0.00 0.00 23.12 23.09 2dit s ALA 96 CO 0.19 0.04 0.85 1.14 0.00 0.00 0.00 175.76 177.97 2dit s GLN 97 N -1.96 1.26 -0.03 0.00 0.00 -0.99 -4.69 119.66 113.24 2dit s GLN 97 Ca -0.03 -0.63 -0.21 0.00 -0.00 0.00 0.00 55.36 54.48 2dit s GLN 97 Cb -0.08 0.47 -0.05 0.00 0.00 0.00 0.00 33.01 33.35 2dit s GLN 97 CO 0.01 -0.57 0.63 0.00 0.00 0.00 0.00 175.29 175.36 2dit s ALA 98 N -3.45 3.43 0.48 2.60 0.00 -1.26 -0.69 121.76 122.88 2dit s ALA 98 Ca 0.09 0.06 -0.04 0.00 0.00 0.00 0.00 51.96 52.07 2dit s ALA 98 Cb -0.02 -2.81 -0.02 0.00 0.00 0.00 0.00 23.12 20.26 2dit s ALA 98 CO -0.01 0.07 0.76 -0.46 0.00 0.00 0.00 175.76 176.12 2dit s TRP 99 N 0.18 3.44 0.02 0.00 -0.00 0.31 -4.88 118.94 118.00 2dit s TRP 99 Ca 0.33 0.63 -0.01 0.00 -0.00 0.00 0.00 56.10 57.05 2dit s TRP 99 Cb -0.18 -2.35 -0.00 0.00 -0.00 0.00 0.00 33.47 30.94 2dit s TRP 99 CO 0.17 -0.36 -0.01 -3.47 -0.00 0.00 0.00 176.95 173.28 2dit n ASP 100 N -2.25 0.36 0.00 5.86 2.03 -1.26 -4.75 116.55 116.55 2dit n ASP 100 Ca 0.01 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.37 2dit n ASP 100 Cb 0.56 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 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 3.26 0.00 0.05 0.27 0.00 -1.26 -5.06 105.19 102.46 2dit n GLY 101 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 0.64 -1.38 2.61 5.66 -1.26 -5.03 114.28 115.52 2dit n THR 102 Ca 0.00 -0.27 -0.35 0.00 -3.05 0.00 0.00 64.05 60.38 2dit n THR 102 Cb 0.00 -0.87 0.10 0.00 -1.55 0.00 0.00 70.33 68.01 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 -2.74 3.33 -1.37 1.09 5.66 -1.26 -4.94 114.28 114.04 2dit n THR 103 Ca -0.19 -0.33 0.02 0.00 -3.05 0.00 0.00 64.05 60.49 2dit n THR 103 Cb 0.72 -1.33 0.20 0.00 -1.55 0.00 0.00 70.33 68.37 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 -2.70 2.48 0.07 1.09 9.92 -1.26 -4.68 116.55 121.47 2dit n ASP 104 Ca 0.15 -3.62 -0.11 0.00 -0.53 0.00 0.00 54.79 50.68 2dit n ASP 104 Cb 0.49 -0.57 -0.07 0.00 -0.64 0.00 0.00 41.12 40.33 2dit n ASP 104 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 2dit h TYR 105 N 0.99 -1.01 0.00 1.24 0.05 -2.02 -3.34 116.97 112.88 2dit h TYR 105 Ca 0.11 0.03 -0.38 0.00 0.05 0.00 0.00 58.73 58.54 2dit h TYR 105 Cb 1.40 0.43 -0.07 0.00 1.01 0.00 0.00 36.73 39.50 2dit h TYR 105 CO 0.77 -0.39 -2.45 0.00 -1.05 0.00 0.00 178.16 175.04 2dit n GLN 106 N -4.43 0.66 -1.23 4.88 -0.00 -1.26 -5.00 117.38 111.01 2dit n GLN 106 Ca -0.05 0.09 -0.40 0.00 -0.00 0.00 0.00 57.00 56.64 2dit n GLN 106 Cb 0.27 -1.52 -0.00 0.00 -0.00 0.00 0.00 30.24 28.98 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 -3.07 -2.65 -4.85 2.61 2.88 -1.25 -4.91 113.62 102.38 2dit n SER 107 Ca -0.41 0.78 -0.35 0.00 -1.33 0.00 0.00 58.87 57.56 2dit n SER 107 Cb 1.05 -0.83 -0.06 0.00 -0.75 0.00 0.00 64.21 63.62 2dit n SER 107 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dit s GLY 108 N -0.94 2.44 -0.45 0.46 0.00 -1.26 -4.93 107.32 102.63 2dit s GLY 108 Ca 0.56 -0.15 -0.28 0.00 0.00 0.00 0.00 44.72 44.85 2dit s GLY 108 CO 0.59 0.11 1.76 2.56 0.00 0.00 0.00 173.10 178.12 2dit s PRO 109 N -2.05 3.10 -0.73 2.90 0.04 -1.26 -4.95 135.00 132.05 2dit s PRO 109 Ca 0.39 1.03 -0.18 0.00 0.04 0.00 0.00 61.00 62.27 2dit s PRO 109 Cb -0.15 -4.24 0.13 0.00 0.04 0.00 0.00 34.50 30.28 2dit s PRO 109 CO 0.19 -2.15 0.85 0.45 0.04 0.00 0.00 177.00 176.38 2dit s SER 110 N 6.52 6.39 -0.04 6.66 0.15 -1.26 -4.90 113.70 127.22 2dit s SER 110 Ca 0.72 -1.76 -0.08 0.00 0.70 0.00 0.00 55.95 55.53 2dit s SER 110 Cb -0.17 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 2dit s SER 110 CO 0.28 -1.05 0.39 -1.28 1.20 0.00 0.00 173.24 172.79 2dit h SER 111 N 8.90 -0.23 0.00 5.45 0.87 -2.07 -3.57 113.55 122.90 2dit h SER 111 Ca -0.11 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2dit h SER 111 Cb 1.06 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2dit h SER 111 CO 1.05 0.10 0.00 0.61 -0.53 0.00 0.00 176.83 178.06