#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 1.55 -0.82 1.61 0.15 -1.26 -5.09 113.70 109.84 2dit s SER 2 Ca 0.00 -0.11 -0.09 0.00 0.70 0.00 0.00 55.95 56.44 2dit s SER 2 Cb 0.00 -0.48 0.21 0.00 -1.71 0.00 0.00 66.02 64.04 2dit s SER 2 CO 0.00 -0.16 0.73 -0.44 1.20 0.00 0.00 173.24 174.56 2dit s SER 3 N 1.78 6.36 0.00 5.45 0.01 -1.26 -4.77 113.70 121.27 2dit s SER 3 Ca 0.03 -2.95 0.00 0.00 1.31 0.00 0.00 55.95 54.34 2dit s SER 3 Cb -0.13 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.01 2dit s SER 3 CO -0.05 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 173.77 2dit n GLY 4 N 3.53 2.47 0.28 3.44 0.00 -1.26 -5.00 105.19 108.64 2dit n GLY 4 Ca 0.14 0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 0.42 -2.08 1.61 0.02 -2.04 -3.31 113.55 108.17 2dit h SER 5 Ca 0.00 0.08 -0.66 0.00 -0.84 0.00 0.00 61.79 60.37 2dit h SER 5 Cb 0.00 0.01 -0.15 0.00 0.14 0.00 0.00 62.40 62.40 2dit h SER 5 CO 0.00 0.21 0.99 -0.44 -1.14 0.00 0.00 176.83 176.45 2dit s SER 6 N -5.45 6.54 -0.29 3.07 0.01 -1.26 -4.81 113.70 111.50 2dit s SER 6 Ca -0.12 -1.74 0.09 0.00 1.31 0.00 0.00 55.95 55.48 2dit s SER 6 Cb 0.19 -2.45 0.46 0.00 0.21 0.00 0.00 66.02 64.43 2dit s SER 6 CO 0.76 -1.24 1.18 0.61 0.41 0.00 0.00 173.24 174.96 2dit n GLY 7 N 5.85 5.83 0.00 3.44 0.00 -1.25 -4.79 105.19 114.28 2dit n GLY 7 Ca 0.23 -2.48 0.00 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.68 -1.26 3.55 -0.02 0.00 -1.26 -4.89 105.19 100.63 2dit n GLY 8 Ca 0.39 -2.11 -0.37 0.00 0.00 0.00 0.00 46.02 43.93 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 0.00 2.61 0.07 1.61 0.04 -1.26 -4.96 135.00 133.11 2dit s PRO 9 Ca 0.00 0.48 0.10 0.00 0.04 0.00 0.00 61.00 61.61 2dit s PRO 9 Cb 0.00 -4.49 -0.03 0.00 0.04 0.00 0.00 34.50 30.02 2dit s PRO 9 CO 0.00 -2.83 -0.26 0.45 0.04 0.00 0.00 177.00 174.40 2dit s SER 10 N 8.09 3.17 -0.25 6.66 0.15 -1.26 -5.12 113.70 125.14 2dit s SER 10 Ca 0.68 -0.64 -0.11 0.00 0.70 0.00 0.00 55.95 56.57 2dit s SER 10 Cb -0.12 -0.26 -0.05 0.00 -1.71 0.00 0.00 66.02 63.88 2dit s SER 10 CO 0.18 0.22 0.19 0.00 1.20 0.00 0.00 173.24 175.03 2dit s ARG 11 N -1.51 4.05 -0.22 5.44 1.70 -1.26 -5.07 118.95 122.08 2dit s ARG 11 Ca 0.12 -0.24 -0.22 0.00 -0.47 0.00 0.00 55.73 54.92 2dit s ARG 11 Cb -0.10 -3.57 -0.02 0.00 -0.57 0.00 0.00 34.95 30.69 2dit s ARG 11 CO 0.03 -0.01 0.69 -1.64 -1.08 0.00 0.00 175.30 173.29 2dit s MET 12 N 1.25 4.19 -1.18 3.89 -1.94 -1.26 -4.99 119.30 119.27 2dit s MET 12 Ca 0.08 0.70 -0.09 0.00 -1.71 0.00 0.00 55.69 54.68 2dit s MET 12 Cb -0.14 -3.61 0.23 0.00 2.01 0.00 0.00 34.83 33.32 2dit s MET 12 CO 0.06 -0.35 1.51 -2.13 -0.01 0.00 0.00 175.02 174.10 2dit n ARG 13 N 5.42 3.78 -3.48 2.03 0.63 -1.26 -4.93 116.66 118.85 2dit n ARG 13 Ca 0.01 -4.08 -0.10 0.00 -0.92 0.00 0.00 57.85 52.76 2dit n ARG 13 Cb 0.49 -2.76 -0.02 0.00 0.45 0.00 0.00 32.46 30.61 2dit n ARG 13 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 2dit s HIS 14 N -0.54 -0.42 -0.29 -0.14 -3.43 -1.26 -5.14 115.29 104.07 2dit s HIS 14 Ca 0.36 0.29 0.01 0.00 -0.80 0.00 0.00 55.06 54.92 2dit s HIS 14 Cb 0.01 0.54 0.06 0.00 -1.43 0.00 0.00 32.58 31.76 2dit s HIS 14 CO 0.01 -0.64 -0.04 -2.00 -2.00 0.00 0.00 174.74 170.08 2dit s GLU 15 N -3.20 2.26 -0.42 -0.38 2.56 -1.26 -5.04 118.70 113.22 2dit s GLU 15 Ca 0.03 -1.37 0.02 0.00 0.00 0.00 0.00 54.97 53.65 2dit s GLU 15 Cb -0.01 -3.07 0.14 0.00 2.00 0.00 0.00 34.13 33.19 2dit s GLU 15 CO -0.09 -0.64 0.25 1.03 -0.56 0.00 0.00 175.26 175.25 2dit s ARG 16 N 1.16 1.07 -0.02 4.30 1.81 -1.26 -5.00 118.95 121.01 2dit s ARG 16 Ca -0.05 -1.87 -0.01 0.00 -1.72 0.00 0.00 55.73 52.08 2dit s ARG 16 Cb -0.20 -1.96 0.01 0.00 -0.45 0.00 0.00 34.95 32.35 2dit s ARG 16 CO -0.03 -1.21 0.04 0.08 -0.68 0.00 0.00 175.30 173.50 2dit s VAL 17 N 0.46 -0.02 -0.05 3.52 1.01 -1.26 0.01 120.40 124.07 2dit s VAL 17 Ca 0.20 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.24 2dit s VAL 17 Cb -0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 2dit s VAL 17 CO -0.02 0.02 -0.03 0.68 0.00 0.00 0.00 175.10 175.75 2dit s VAL 18 N 0.33 4.01 -0.01 2.92 -7.23 -0.64 -0.17 120.40 119.60 2dit s VAL 18 Ca -0.03 -0.46 0.00 0.00 -1.81 0.00 0.00 61.98 59.69 2dit s VAL 18 Cb -0.04 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 2dit s VAL 18 CO -0.01 0.53 0.05 -0.63 -0.31 0.00 0.00 175.10 174.73 2dit s ILE 19 N -0.92 4.52 -0.01 -0.62 -1.09 0.24 -1.66 121.20 121.66 2dit s ILE 19 Ca 0.15 -0.47 0.05 0.00 -2.23 0.00 0.00 60.65 58.15 2dit s ILE 19 Cb -0.11 -3.04 -0.01 0.00 -1.58 0.00 0.00 42.46 37.71 2dit s ILE 19 CO 0.04 0.37 -0.17 -0.63 -1.23 0.00 0.00 174.94 173.32 2dit s ILE 20 N -1.14 1.38 0.21 2.92 -1.09 -0.99 -2.44 121.20 120.05 2dit s ILE 20 Ca 0.21 -0.79 0.10 0.00 -2.23 0.00 0.00 60.65 57.95 2dit s ILE 20 Cb -0.12 -1.16 -0.05 0.00 -1.58 0.00 0.00 42.46 39.56 2dit s ILE 20 CO 0.12 0.36 -0.20 -0.54 -1.23 0.00 0.00 174.94 173.44 2dit s LYS 21 N -0.50 1.47 -1.23 2.79 -0.14 -1.15 -2.93 119.74 118.06 2dit s LYS 21 Ca 0.07 -1.56 -0.08 0.00 -1.36 0.00 0.00 55.97 53.04 2dit s LYS 21 Cb -0.07 -1.61 -0.01 0.00 -1.68 0.00 0.00 37.83 34.46 2dit s LYS 21 CO -0.00 0.32 0.73 -1.71 -0.76 0.00 0.00 175.35 173.93 2dit n ASN 22 N -0.02 -3.17 0.00 2.83 5.15 -0.01 -3.41 115.26 116.63 2dit n ASN 22 Ca -0.10 -0.89 0.00 0.00 -0.60 0.00 0.00 54.58 52.99 2dit n ASN 22 Cb 0.58 -3.91 0.00 0.00 -0.53 0.00 0.00 39.78 35.92 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 -4.11 2.54 -3.60 1.20 0.00 -1.26 -4.27 117.12 107.63 2dit n MET 23 Ca -0.20 0.00 -0.07 0.00 0.00 0.00 0.00 57.70 57.43 2dit n MET 23 Cb 0.64 -0.74 -0.02 0.00 0.00 0.00 0.00 33.22 33.11 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 -1.29 -0.27 -0.01 3.17 -0.12 -1.26 -4.36 117.98 113.85 2dit s PHE 24 Ca 0.00 0.06 0.03 0.00 -0.05 0.00 0.00 56.93 56.97 2dit s PHE 24 Cb 0.00 0.58 -0.01 0.00 -0.63 0.00 0.00 43.02 42.96 2dit s PHE 24 CO 0.00 -0.66 -0.09 -1.58 -0.05 0.00 0.00 175.22 172.84 2dit s HIS 25 N -3.19 0.85 -2.00 3.49 2.46 -1.26 -1.12 115.29 114.52 2dit s HIS 25 Ca 0.08 -0.16 0.13 0.00 0.47 0.00 0.00 55.06 55.58 2dit s HIS 25 Cb -0.01 -0.55 0.78 0.00 -0.13 0.00 0.00 32.58 32.67 2dit s HIS 25 CO -0.05 -0.02 1.21 -0.35 -2.47 0.00 0.00 174.74 173.06 2dit n PRO 26 N 2.85 0.49 0.00 2.88 -0.04 -1.26 -1.91 135.00 138.01 2dit n PRO 26 Ca -0.13 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.43 2dit n PRO 26 Cb 0.57 -1.42 -0.10 0.00 -0.04 0.00 0.00 33.50 32.50 2dit n PRO 26 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2dit n MET 27 N -0.92 0.25 0.04 0.54 1.56 -1.26 -4.16 117.12 113.16 2dit n MET 27 Ca 0.10 -0.06 -0.16 0.00 -0.27 0.00 0.00 57.70 57.31 2dit n MET 27 Cb 0.05 -1.52 -0.14 0.00 2.15 0.00 0.00 33.22 33.75 2dit n MET 27 CO 0.00 0.00 0.00 -0.44 -0.73 0.00 0.00 175.97 174.80 2dit h ASP 28 N 0.00 0.32 0.60 6.12 5.19 -1.75 -3.33 116.42 123.57 2dit h ASP 28 Ca 0.00 -0.51 -0.05 0.00 -0.62 0.00 0.00 57.03 55.85 2dit h ASP 28 Cb 0.69 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.09 2dit h ASP 28 CO 0.00 1.44 -0.24 -0.26 -3.12 0.00 0.00 179.24 177.06 2dit h PHE 29 N 0.06 0.00 0.00 4.55 0.04 -1.68 -2.32 116.94 117.59 2dit h PHE 29 Ca -0.28 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.39 2dit h PHE 29 Cb 2.01 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 40.15 2dit h PHE 29 CO 0.05 0.24 -0.47 0.93 -0.60 0.00 0.00 178.31 178.46 2dit h GLU 30 N 0.00 0.00 0.00 1.51 4.39 -1.72 -3.00 114.58 115.76 2dit h GLU 30 Ca -0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 2dit h GLU 30 Cb 0.60 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 2dit h GLU 30 CO 0.03 0.47 -1.35 0.22 -1.16 0.00 0.00 179.01 177.22 2dit h ASP 31 N 0.00 0.00 -3.00 1.42 3.58 -1.59 -3.48 116.42 113.36 2dit h ASP 31 Ca -0.00 0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.54 2dit h ASP 31 Cb 0.84 0.00 -0.28 0.00 1.72 0.00 0.00 39.33 41.61 2dit h ASP 31 CO 0.06 0.91 0.57 -1.81 -2.88 0.00 0.00 179.24 176.09 2dit s ASP 32 N -6.29 -0.35 0.19 2.28 1.01 -0.91 -5.05 116.67 107.55 2dit s ASP 32 Ca -0.02 0.65 -0.05 0.00 0.71 0.00 0.00 52.55 53.84 2dit s ASP 32 Cb 0.09 0.65 0.11 0.00 1.01 0.00 0.00 42.92 44.78 2dit s ASP 32 CO 0.82 -0.13 1.54 1.55 0.21 0.00 0.00 175.17 179.16 2dit h PRO 33 N 3.83 0.71 -0.91 8.23 0.13 -1.84 -3.24 132.00 138.90 2dit h PRO 33 Ca -0.27 -0.37 0.23 0.00 -0.87 0.00 0.00 66.00 64.71 2dit h PRO 33 Cb 1.18 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 32.15 2dit h PRO 33 CO 0.14 0.99 -0.06 1.28 -0.23 0.00 0.00 178.00 180.11 2dit n LEU 34 N -4.03 -0.18 -0.22 1.56 7.99 -1.26 -0.08 117.00 120.78 2dit n LEU 34 Ca -0.02 1.55 -0.09 0.00 -0.01 0.00 0.00 56.01 57.44 2dit n LEU 34 Cb 0.54 -0.53 -0.05 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 0.07 -0.23 4.08 2.07 -1.87 0.35 116.25 120.72 2dit h VAL 35 Ca 0.51 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.97 2dit h VAL 35 Cb 0.98 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2dit h VAL 35 CO -0.88 0.00 -0.16 0.25 0.02 0.00 0.00 177.57 176.80 2dit h LEU 36 N -0.23 0.38 0.70 2.57 5.85 -0.70 -1.79 115.31 122.09 2dit h LEU 36 Ca 0.17 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 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 -0.70 0.56 -0.34 0.78 -0.34 0.00 0.00 178.44 178.40 2dit h ASN 37 N 0.36 -0.80 -0.70 1.25 2.35 0.66 0.30 115.58 119.01 2dit h ASN 37 Ca 0.07 0.03 0.07 0.00 -0.55 0.00 0.00 56.30 55.92 2dit h ASN 37 Cb 0.49 0.21 -0.06 0.00 0.05 0.00 0.00 38.32 39.01 2dit h ASN 37 CO 0.03 -0.54 0.37 1.05 -1.65 0.00 0.00 177.43 176.70 2dit h GLU 38 N -1.02 0.65 0.41 0.81 4.11 -0.48 -0.68 114.58 118.38 2dit h GLU 38 Ca -0.10 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.27 2dit h GLU 38 Cb 0.73 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2dit h GLU 38 CO 0.16 0.43 -0.20 0.82 0.07 0.00 0.00 179.01 180.29 2dit h ILE 39 N 0.67 0.60 0.35 -1.06 2.04 -1.29 0.33 117.51 119.14 2dit h ILE 39 Ca 0.33 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 2dit h ILE 39 Cb 0.27 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 2dit h ILE 39 CO -0.22 0.03 -0.47 -0.09 0.00 0.00 0.00 178.15 177.40 2dit h ARG 40 N -0.63 -0.82 -0.87 2.37 1.12 -0.08 -1.51 114.38 113.97 2dit h ARG 40 Ca -0.06 0.06 0.16 0.00 -1.11 0.00 0.00 59.98 59.03 2dit h ARG 40 Cb 0.47 0.19 -0.07 0.00 -0.01 0.00 0.00 29.97 30.54 2dit h ARG 40 CO 0.09 -0.55 0.57 1.05 -3.11 0.00 0.00 179.97 178.02 2dit h GLU 41 N -0.85 0.56 -0.54 0.20 4.11 -1.16 -0.68 114.58 116.23 2dit h GLU 41 Ca -0.04 -0.03 0.02 0.00 0.07 0.00 0.00 59.36 59.37 2dit h GLU 41 Cb 0.77 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 2dit h GLU 41 CO -0.12 0.37 0.33 -0.44 0.07 0.00 0.00 179.01 179.22 2dit h ASP 42 N 0.58 0.55 0.44 3.06 3.32 -0.09 0.17 116.42 124.44 2dit h ASP 42 Ca 0.44 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.45 2dit h ASP 42 Cb 0.85 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 2dit h ASP 42 CO -0.19 0.39 -0.21 -0.07 -1.72 0.00 0.00 179.24 177.44 2dit h LEU 43 N 0.66 0.00 0.03 1.55 3.38 -0.17 0.40 115.31 121.17 2dit h LEU 43 Ca 0.21 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.94 2dit h LEU 43 Cb -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2dit h LEU 43 CO -0.08 0.21 -1.22 -0.09 0.09 0.00 0.00 178.44 177.35 2dit h ARG 44 N 0.00 0.07 0.00 1.13 2.43 -0.79 -2.76 114.38 114.46 2dit h ARG 44 Ca -0.00 -0.11 -0.15 0.00 -0.81 0.00 0.00 59.98 58.91 2dit h ARG 44 Cb 0.49 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 2dit h ARG 44 CO 0.03 0.96 -1.17 -0.39 -1.51 0.00 0.00 179.97 177.89 2dit h VAL 45 N 0.02 0.60 0.04 0.20 -1.51 -0.31 -3.14 116.25 112.15 2dit h VAL 45 Ca -0.10 -2.04 -0.11 0.00 -1.23 0.00 0.00 66.70 63.22 2dit h VAL 45 Cb 1.87 2.13 0.01 0.00 -2.13 0.00 0.00 31.29 33.17 2dit h VAL 45 CO 0.13 0.34 -0.44 1.05 -1.23 0.00 0.00 177.57 177.42 2dit h GLU 46 N 0.00 0.22 0.00 5.19 4.11 -0.30 -3.08 114.58 120.72 2dit h GLU 46 Ca -0.12 -0.30 0.00 0.00 0.07 0.00 0.00 59.36 59.02 2dit h GLU 46 Cb 1.52 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.87 2dit h GLU 46 CO 0.05 1.07 0.00 0.00 0.07 0.00 0.00 179.01 180.20 2dit h SER 48 N 0.00 0.42 -0.88 0.00 0.87 -1.58 -3.30 113.55 109.08 2dit h SER 48 Ca 0.00 -0.38 0.23 0.00 -1.23 0.00 0.00 61.79 60.41 2dit h SER 48 Cb 0.49 -0.13 -0.16 0.00 -0.44 0.00 0.00 62.40 62.16 2dit h SER 48 CO 0.00 1.23 -0.01 0.29 -0.53 0.00 0.00 176.83 177.80 2dit n LYS 49 N -3.64 -0.07 0.08 2.24 4.76 -1.07 0.21 118.16 120.67 2dit n LYS 49 Ca -0.07 1.32 -0.09 0.00 -2.87 0.00 0.00 58.31 56.60 2dit n LYS 49 Cb 0.90 -2.09 -0.02 0.00 -1.84 0.00 0.00 35.03 31.99 2dit n LYS 49 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 2dit h PHE 50 N 0.00 0.34 0.00 2.13 -1.00 -1.76 -3.48 116.94 113.17 2dit h PHE 50 Ca 0.52 -0.19 0.00 0.00 2.81 0.00 0.00 57.97 61.11 2dit h PHE 50 Cb 1.04 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.57 2dit h PHE 50 CO -0.48 1.01 0.00 0.41 -1.61 0.00 0.00 178.31 177.64 2dit n GLY 51 N 0.90 -0.02 3.34 -1.45 0.00 0.55 -5.03 105.19 103.49 2dit n GLY 51 Ca -0.04 0.50 -0.21 0.00 0.00 0.00 0.00 46.02 46.27 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 1.57 1.82 -0.42 1.61 -0.21 -1.25 -4.55 119.66 118.24 2dit s GLN 52 Ca 0.00 -2.08 0.04 0.00 0.02 0.00 0.00 55.36 53.34 2dit s GLN 52 Cb 0.00 0.11 0.11 0.00 1.00 0.00 0.00 33.01 34.23 2dit s GLN 52 CO 0.00 -0.63 0.15 0.42 -2.12 0.00 0.00 175.29 173.11 2dit s ILE 53 N -3.37 2.44 0.37 1.08 -1.09 -1.26 -4.48 121.20 114.89 2dit s ILE 53 Ca 0.36 -2.77 0.09 0.00 -2.23 0.00 0.00 60.65 56.11 2dit s ILE 53 Cb 0.02 -2.75 0.32 0.00 -1.58 0.00 0.00 42.46 38.47 2dit s ILE 53 CO 0.25 -0.69 1.89 0.03 -1.23 0.00 0.00 174.94 175.19 2dit h ARG 54 N 7.13 0.64 -1.51 2.79 2.47 -1.87 -3.44 114.38 120.60 2dit h ARG 54 Ca -0.06 -0.04 0.10 0.00 -1.26 0.00 0.00 59.98 58.72 2dit h ARG 54 Cb 0.96 -0.14 -0.24 0.00 -1.65 0.00 0.00 29.97 28.90 2dit h ARG 54 CO 0.60 0.42 0.58 0.21 0.56 0.00 0.00 179.97 182.34 2dit s LYS 55 N -5.63 0.53 -0.01 0.04 2.36 -1.21 -4.98 119.74 110.83 2dit s LYS 55 Ca -0.10 0.16 0.02 0.00 -2.55 0.00 0.00 55.97 53.51 2dit s LYS 55 Cb 0.21 0.25 -0.00 0.00 -1.05 0.00 0.00 37.83 37.24 2dit s LYS 55 CO 0.78 -0.16 -0.08 -1.17 1.55 0.00 0.00 175.35 176.28 2dit s LEU 56 N -0.99 1.95 -0.16 5.43 2.96 -1.26 0.01 118.68 126.63 2dit s LEU 56 Ca -0.00 -0.14 -0.04 0.00 -0.22 0.00 0.00 54.13 53.72 2dit s LEU 56 Cb -0.01 -0.42 0.06 0.00 0.50 0.00 0.00 46.19 46.33 2dit s LEU 56 CO -0.00 0.08 0.12 -0.76 -1.32 0.00 0.00 176.35 174.47 2dit s LEU 57 N -0.08 0.19 -0.39 -0.68 1.43 -0.25 -5.01 118.68 113.89 2dit s LEU 57 Ca 0.02 -0.38 -0.15 0.00 -1.03 0.00 0.00 54.13 52.58 2dit s LEU 57 Cb -0.04 -0.06 0.01 0.00 0.03 0.00 0.00 46.19 46.13 2dit s LEU 57 CO -0.00 -0.33 0.31 -0.22 0.23 0.00 0.00 176.35 176.35 2dit s LEU 58 N 2.19 4.87 -0.97 1.79 0.20 -1.26 -0.21 118.68 125.29 2dit s LEU 58 Ca 0.03 -0.69 -0.24 0.00 0.69 0.00 0.00 54.13 53.93 2dit s LEU 58 Cb -0.15 -2.21 0.04 0.00 -0.43 0.00 0.00 46.19 43.44 2dit s LEU 58 CO -0.09 -0.41 1.43 -0.36 -0.29 0.00 0.00 176.35 176.64 2dit s PHE 59 N 1.79 2.47 -0.02 5.38 0.08 -0.56 -4.85 117.98 122.28 2dit s PHE 59 Ca 0.07 -0.68 -0.00 0.00 0.12 0.00 0.00 56.93 56.44 2dit s PHE 59 Cb -0.18 -4.68 0.01 0.00 -0.57 0.00 0.00 43.02 37.61 2dit s PHE 59 CO 0.11 -1.96 1.93 -0.40 -0.10 0.00 0.00 175.22 174.80 2dit n ASP 60 N 9.07 5.24 0.00 1.36 5.75 -1.26 -3.36 116.55 133.34 2dit n ASP 60 Ca 0.28 -2.42 0.00 0.00 -0.01 0.00 0.00 54.79 52.64 2dit n ASP 60 Cb 0.51 -1.08 0.00 0.00 -1.03 0.00 0.00 41.12 39.52 2dit n ASP 60 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2dit n ARG 61 N 1.35 0.26 -2.04 0.11 5.12 -1.26 -4.78 116.66 115.42 2dit n ARG 61 Ca 0.02 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.52 2dit n ARG 61 Cb 0.51 -0.80 -0.03 0.00 -1.16 0.00 0.00 32.46 30.98 2dit n ARG 61 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2dit s HIS 62 N -1.60 2.21 -2.00 -1.55 2.46 -1.21 -4.84 115.29 108.76 2dit s HIS 62 Ca 0.00 0.34 0.09 0.00 0.47 0.00 0.00 55.06 55.96 2dit s HIS 62 Cb 0.00 -3.87 0.54 0.00 -0.13 0.00 0.00 32.58 29.12 2dit s HIS 62 CO 0.00 -3.55 0.99 -0.35 -2.47 0.00 0.00 174.74 169.35 2dit n PRO 63 N 6.61 0.49 -0.09 2.88 -0.04 -1.26 -1.93 135.00 141.65 2dit n PRO 63 Ca 0.16 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.70 2dit n PRO 63 Cb 0.43 -1.29 0.12 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.79 2.44 -2.75 3.54 -0.08 -1.26 -4.80 116.55 112.84 2dit n ASP 64 Ca 0.07 -2.84 -0.03 0.00 -1.51 0.00 0.00 54.79 50.48 2dit n ASP 64 Cb 0.03 -0.35 -0.03 0.00 2.34 0.00 0.00 41.12 43.11 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 -1.12 -3.84 2.98 0.27 0.00 -0.27 -0.83 105.19 102.39 2dit n GLY 65 Ca 0.13 1.16 -0.26 0.00 0.00 0.00 0.00 46.02 47.05 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 -0.72 1.17 0.08 1.61 1.01 -1.25 -2.68 120.40 119.62 2dit s VAL 66 Ca -0.17 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.43 2dit s VAL 66 Cb 0.01 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 2dit s VAL 66 CO 0.60 0.38 -0.14 0.00 0.00 0.00 0.00 175.10 175.94 2dit s ALA 67 N 1.19 1.25 -0.25 5.51 0.00 -1.15 -1.50 121.76 126.80 2dit s ALA 67 Ca -0.04 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 50.87 2dit s ALA 67 Cb -0.14 -0.09 0.06 0.00 0.00 0.00 0.00 23.12 22.95 2dit s ALA 67 CO -0.03 0.15 -0.09 0.45 0.00 0.00 0.00 175.76 176.24 2dit s SER 68 N -1.91 4.28 -0.40 0.00 0.15 0.71 -2.34 113.70 114.19 2dit s SER 68 Ca 0.01 -1.35 -0.11 0.00 0.70 0.00 0.00 55.95 55.19 2dit s SER 68 Cb -0.09 -1.44 0.04 0.00 -1.71 0.00 0.00 66.02 62.82 2dit s SER 68 CO 0.02 -0.21 0.25 -0.69 1.20 0.00 0.00 173.24 173.81 2dit s VAL 69 N 1.18 4.64 0.39 4.45 1.01 -0.67 -1.09 120.40 130.31 2dit s VAL 69 Ca -0.08 -0.98 -0.23 0.00 0.00 0.00 0.00 61.98 60.69 2dit s VAL 69 Cb -0.20 -3.66 -0.10 0.00 0.00 0.00 0.00 36.38 32.43 2dit s VAL 69 CO -0.05 -0.34 0.99 -0.55 0.00 0.00 0.00 175.10 175.15 2dit s SER 70 N 1.78 6.95 0.11 3.32 0.15 0.10 -1.62 113.70 124.49 2dit s SER 70 Ca 0.03 1.87 0.06 0.00 0.70 0.00 0.00 55.95 58.60 2dit s SER 70 Cb -0.20 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.50 2dit s SER 70 CO 0.06 -0.35 -0.14 -0.36 1.20 0.00 0.00 173.24 173.66 2dit s PHE 71 N -1.82 1.34 -0.14 3.44 0.40 0.10 -2.86 117.98 118.43 2dit s PHE 71 Ca 0.57 -0.55 -0.22 0.00 -0.60 0.00 0.00 56.93 56.13 2dit s PHE 71 Cb -0.17 -0.71 -0.20 0.00 0.51 0.00 0.00 43.02 42.46 2dit s PHE 71 CO 0.22 0.11 0.52 -0.09 0.70 0.00 0.00 175.22 176.68 2dit h ARG 72 N 3.63 0.00 -6.26 0.44 9.65 -1.88 -3.42 114.38 116.54 2dit h ARG 72 Ca -0.40 0.00 -0.66 0.00 -1.10 0.00 0.00 59.98 57.82 2dit h ARG 72 Cb 1.19 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 29.64 2dit h ARG 72 CO 0.49 0.79 -0.66 -0.51 2.80 0.00 0.00 179.97 182.88 2dit s ASP 73 N -6.19 4.98 0.23 -3.80 1.01 -1.26 -5.00 116.67 106.64 2dit s ASP 73 Ca -0.17 -0.11 -0.00 0.00 0.71 0.00 0.00 52.55 52.98 2dit s ASP 73 Cb -0.01 -1.23 0.24 0.00 1.01 0.00 0.00 42.92 42.93 2dit s ASP 73 CO 0.54 0.24 1.60 1.55 0.21 0.00 0.00 175.17 179.30 2dit h PRO 74 N 4.01 0.49 -0.45 8.23 0.13 -1.98 -3.10 132.00 139.34 2dit h PRO 74 Ca -0.48 -0.26 0.09 0.00 -0.87 0.00 0.00 66.00 64.47 2dit h PRO 74 Cb 1.17 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.23 2dit h PRO 74 CO 0.57 0.84 -0.04 0.93 -0.23 0.00 0.00 178.00 180.07 2dit h GLU 75 N 0.40 0.06 0.57 0.86 4.39 -1.97 0.58 114.58 119.48 2dit h GLU 75 Ca 0.03 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 2dit h GLU 75 Cb 0.93 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.57 2dit h GLU 75 CO 0.08 0.04 -0.28 1.49 -1.16 0.00 0.00 179.01 179.19 2dit h GLU 76 N 0.07 -0.74 0.08 2.33 4.57 -1.96 -2.61 114.58 116.32 2dit h GLU 76 Ca 0.22 0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.46 2dit h GLU 76 Cb 0.33 0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 29.04 2dit h GLU 76 CO -0.41 -0.49 -0.49 0.00 -1.18 0.00 0.00 179.01 176.44 2dit h ALA 77 N -1.49 -0.95 -1.54 2.92 0.00 -1.45 0.85 119.26 117.60 2dit h ALA 77 Ca -0.08 -0.10 0.45 0.00 0.00 0.00 0.00 54.91 55.18 2dit h ALA 77 Cb 0.59 0.88 -0.06 0.00 0.00 0.00 0.00 17.79 19.20 2dit h ALA 77 CO 0.13 -1.08 1.10 0.22 0.00 0.00 0.00 179.25 179.62 2dit h ASP 78 N -0.67 0.01 0.57 0.00 1.82 0.07 1.46 116.42 119.66 2dit h ASP 78 Ca -0.00 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.48 2dit h ASP 78 Cb 0.69 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.67 2dit h ASP 78 CO -0.28 -0.00 -1.55 0.00 -1.61 0.00 0.00 179.24 175.79 2dit n TYR 79 N -4.08 0.76 0.19 0.28 9.36 0.08 -4.00 117.16 119.76 2dit n TYR 79 Ca 0.34 0.25 0.09 0.00 3.32 0.00 0.00 57.90 61.90 2dit n TYR 79 Cb 1.59 -1.00 0.19 0.00 -0.63 0.00 0.00 39.34 39.48 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 -0.69 0.10 117.51 117.75 2dit h ILE 81 Ca -0.00 -1.89 -0.11 0.00 -0.00 0.00 0.00 64.86 62.86 2dit h ILE 81 Cb 1.08 2.21 -0.02 0.00 -0.00 0.00 0.00 36.82 40.09 2dit h ILE 81 CO 0.03 0.42 -1.33 0.00 -0.00 0.00 0.00 178.15 177.27 2dit n GLN 82 N -3.33 0.62 0.01 0.16 10.64 -1.19 -2.87 117.38 121.41 2dit n GLN 82 Ca 0.01 0.16 0.04 0.00 -1.83 0.00 0.00 57.00 55.38 2dit n GLN 82 Cb 0.63 -1.79 -0.11 0.00 -0.86 0.00 0.00 30.24 28.11 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 -2.78 0.75 1.00 -0.39 -1.04 -1.05 -4.11 114.28 106.66 2dit n THR 83 Ca -0.07 -0.64 0.11 0.00 -2.04 0.00 0.00 64.05 61.42 2dit n THR 83 Cb 0.73 -0.38 0.08 0.00 -1.82 0.00 0.00 70.33 68.94 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 -2.62 0.73 0.00 -4.42 4.77 0.36 -4.02 117.00 111.79 2dit n LEU 84 Ca -0.11 -0.23 0.05 0.00 -0.03 0.00 0.00 56.01 55.69 2dit n LEU 84 Cb 0.77 -0.13 0.25 0.00 -2.33 0.00 0.00 43.42 41.97 2dit n LEU 84 CO 0.43 0.18 0.61 -0.90 -1.33 0.00 0.00 177.39 176.38 2dit n ASP 85 N -1.50 0.00 0.00 -1.43 5.68 -1.14 -1.82 116.55 116.34 2dit n ASP 85 Ca 0.05 0.18 0.00 0.00 -0.50 0.00 0.00 54.79 54.52 2dit n ASP 85 Cb 0.33 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 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 -0.44 -0.83 3.40 6.12 0.00 -1.09 -3.88 105.19 108.46 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 -0.04 -1.01 -3.93 1.61 5.12 -0.76 -4.49 116.66 113.16 2dit n ARG 87 Ca 0.00 -0.26 -0.28 0.00 -1.93 0.00 0.00 57.85 55.38 2dit n ARG 87 Cb 0.06 -1.88 -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 -2.36 1.71 -0.03 -1.55 0.52 -1.26 0.72 118.94 116.69 2dit s TRP 88 Ca 0.59 -0.93 0.06 0.00 0.02 0.00 0.00 56.10 55.84 2dit s TRP 88 Cb -0.18 -1.35 -0.01 0.00 -1.15 0.00 0.00 33.47 30.78 2dit s TRP 88 CO 0.66 -0.57 -0.21 -0.06 0.02 0.00 0.00 176.95 176.79 2dit s PHE 89 N 1.64 1.93 0.00 -1.98 0.40 0.24 -4.66 117.98 115.54 2dit s PHE 89 Ca 0.04 -0.44 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 2dit s PHE 89 Cb -0.13 -1.26 0.00 0.00 0.51 0.00 0.00 43.02 42.14 2dit s PHE 89 CO -0.09 -0.09 0.00 0.41 0.70 0.00 0.00 175.22 176.15 2dit n GLY 90 N 2.75 0.21 0.00 4.36 0.00 -1.26 -1.31 105.19 109.94 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 -1.41 0.89 3.54 -0.02 0.00 -1.26 -5.09 105.19 101.84 2dit n GLY 91 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.44 1.95 0.70 1.61 1.70 -0.42 -5.07 118.95 118.97 2dit s ARG 92 Ca 0.00 -1.41 -0.12 0.00 -0.47 0.00 0.00 55.73 53.73 2dit s ARG 92 Cb 0.00 -2.05 0.01 0.00 -0.57 0.00 0.00 34.95 32.34 2dit s ARG 92 CO 0.00 0.40 1.07 -1.14 -1.08 0.00 0.00 175.30 174.55 2dit s GLN 93 N -3.05 2.82 0.05 3.89 0.74 -1.26 0.80 119.66 123.65 2dit s GLN 93 Ca 0.26 1.07 0.02 0.00 0.05 0.00 0.00 55.36 56.76 2dit s GLN 93 Cb -0.08 -1.97 -0.03 0.00 1.10 0.00 0.00 33.01 32.03 2dit s GLN 93 CO 0.15 -1.19 -0.08 0.96 -0.55 0.00 0.00 175.29 174.58 2dit s ILE 94 N -2.88 0.60 0.12 -2.34 -4.36 0.22 -4.73 121.20 107.84 2dit s ILE 94 Ca 0.60 -1.23 0.05 0.00 -0.26 0.00 0.00 60.65 59.81 2dit s ILE 94 Cb -0.15 -0.80 -0.04 0.00 1.25 0.00 0.00 42.46 42.71 2dit s ILE 94 CO 0.52 -0.45 0.04 0.28 0.24 0.00 0.00 174.94 175.56 2dit s THR 95 N -1.73 4.11 0.11 8.37 -1.32 -1.22 -2.69 115.64 121.28 2dit s THR 95 Ca -0.06 -1.08 0.07 0.00 -1.21 0.00 0.00 61.69 59.41 2dit s THR 95 Cb -0.08 -3.02 -0.04 0.00 -1.51 0.00 0.00 72.50 67.86 2dit s THR 95 CO -0.00 0.02 -0.19 0.00 -2.21 0.00 0.00 174.62 172.24 2dit s ALA 96 N -1.51 1.70 0.05 11.08 0.00 -1.26 -2.91 121.76 128.92 2dit s ALA 96 Ca 0.28 -1.25 -0.27 0.00 0.00 0.00 0.00 51.96 50.72 2dit s ALA 96 Cb -0.11 -0.19 0.09 0.00 0.00 0.00 0.00 23.12 22.91 2dit s ALA 96 CO 0.20 0.28 0.77 1.14 0.00 0.00 0.00 175.76 178.15 2dit s GLN 97 N -2.11 1.00 -0.01 0.00 0.00 -1.02 -4.75 119.66 112.78 2dit s GLN 97 Ca 0.07 -0.34 -0.27 0.00 -0.00 0.00 0.00 55.36 54.82 2dit s GLN 97 Cb -0.09 0.46 -0.04 0.00 0.00 0.00 0.00 33.01 33.35 2dit s GLN 97 CO 0.04 -0.43 0.85 0.00 0.00 0.00 0.00 175.29 175.75 2dit s ALA 98 N -3.25 3.26 0.44 2.60 0.00 -1.26 -0.59 121.76 122.95 2dit s ALA 98 Ca 0.03 0.36 -0.07 0.00 0.00 0.00 0.00 51.96 52.28 2dit s ALA 98 Cb -0.01 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 2dit s ALA 98 CO -0.10 -0.12 0.77 -0.46 0.00 0.00 0.00 175.76 175.85 2dit s TRP 99 N 0.68 3.53 0.01 0.00 -0.00 0.75 -4.89 118.94 119.02 2dit s TRP 99 Ca 0.44 0.88 -0.03 0.00 -0.00 0.00 0.00 56.10 57.39 2dit s TRP 99 Cb -0.20 -2.33 -0.01 0.00 -0.00 0.00 0.00 33.47 30.93 2dit s TRP 99 CO 0.24 -0.19 -0.06 -0.25 -0.00 0.00 0.00 176.95 176.69 2dit n ASP 100 N -1.87 0.72 0.00 5.86 8.00 -1.26 -4.68 116.55 123.32 2dit n ASP 100 Ca 0.01 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.61 2dit n ASP 100 Cb 0.55 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 2dit n ASP 100 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dit n GLY 101 N 2.87 -0.42 0.00 0.44 0.00 -1.26 -5.03 105.19 101.79 2dit n GLY 101 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.57 2.61 5.66 -1.26 -5.09 114.28 114.63 2dit n THR 102 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 2dit n THR 102 Cb 0.00 -0.25 0.09 0.00 -1.55 0.00 0.00 70.33 68.61 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 -1.31 2.01 -0.33 1.09 -1.32 -1.26 -4.93 115.64 109.59 2dit s THR 103 Ca 0.00 0.01 0.08 0.00 -1.21 0.00 0.00 61.69 60.57 2dit s THR 103 Cb 0.00 -2.84 0.57 0.00 -1.51 0.00 0.00 72.50 68.71 2dit s THR 103 CO 0.00 -0.00 1.61 -0.90 -2.21 0.00 0.00 174.62 173.12 2dit n ASP 104 N -2.29 3.02 0.03 8.08 5.75 -1.26 -4.66 116.55 125.22 2dit n ASP 104 Ca 0.15 -3.67 -0.05 0.00 -0.01 0.00 0.00 54.79 51.22 2dit n ASP 104 Cb 0.49 -0.70 -0.03 0.00 -1.03 0.00 0.00 41.12 39.85 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 1.12 -0.43 0.01 2.11 0.05 -1.99 -3.33 116.97 114.52 2dit h TYR 105 Ca 0.33 0.01 -0.34 0.00 0.05 0.00 0.00 58.73 58.78 2dit h TYR 105 Cb 2.03 0.18 -0.06 0.00 1.01 0.00 0.00 36.73 39.89 2dit h TYR 105 CO 1.19 -0.17 -2.11 0.00 -1.05 0.00 0.00 178.16 176.02 2dit n GLN 106 N -3.28 0.67 -2.90 4.88 0.00 -1.26 -4.67 117.38 110.82 2dit n GLN 106 Ca -0.02 0.14 -0.42 0.00 0.00 0.00 0.00 57.00 56.70 2dit n GLN 106 Cb 0.12 -1.64 -0.05 0.00 0.00 0.00 0.00 30.24 28.67 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 -5.92 6.69 0.00 2.61 0.15 -1.25 -4.94 113.70 111.04 2dit s SER 107 Ca -0.11 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.22 2dit s SER 107 Cb 0.07 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 2dit s SER 107 CO 0.80 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 175.19 2dit n GLY 108 N 4.19 4.44 0.21 9.45 0.00 -1.26 -4.35 105.19 117.87 2dit n GLY 108 Ca 0.05 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 2dit n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dit h PRO 109 N 0.00 0.71 -5.78 1.61 0.13 -1.95 -3.38 132.00 123.35 2dit h PRO 109 Ca 0.00 -0.37 -0.66 0.00 -0.87 0.00 0.00 66.00 64.10 2dit h PRO 109 Cb 0.00 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.04 2dit h PRO 109 CO 0.00 0.99 1.81 0.45 -0.23 0.00 0.00 178.00 181.02 2dit s SER 110 N -6.55 6.74 -0.51 1.44 0.15 -1.26 -4.94 113.70 108.78 2dit s SER 110 Ca -0.12 -2.16 -0.30 0.00 0.70 0.00 0.00 55.95 54.07 2dit s SER 110 Cb 0.09 -2.55 -0.11 0.00 -1.71 0.00 0.00 66.02 61.74 2dit s SER 110 CO 0.83 -1.23 2.38 -0.24 1.20 0.00 0.00 173.24 176.18 2dit n SER 111 N 8.17 2.04 0.00 5.45 2.88 -1.26 -5.11 113.62 125.79 2dit n SER 111 Ca 0.41 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 2dit n SER 111 Cb 0.47 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 2dit n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42