#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 5.07 -0.05 1.61 0.01 -1.26 -4.96 113.70 114.13 2dit s SER 2 Ca 0.00 -0.72 -0.09 0.00 1.31 0.00 0.00 55.95 56.46 2dit s SER 2 Cb 0.00 -1.87 -0.03 0.00 0.21 0.00 0.00 66.02 64.34 2dit s SER 2 CO 0.00 -0.19 -0.17 -1.54 0.41 0.00 0.00 173.24 171.75 2dit n SER 3 N 4.85 1.39 0.00 2.44 3.41 -1.26 -5.03 113.62 119.43 2dit n SER 3 Ca -0.15 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 2dit n SER 3 Cb 0.48 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 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 2.38 -0.20 3.84 5.00 0.00 -1.26 -4.93 105.19 110.02 2dit n GLY 4 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 2dit n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dit n SER 5 N -0.53 -0.10 -4.11 1.61 7.64 -1.26 -4.88 113.62 111.99 2dit n SER 5 Ca 0.00 -0.95 -0.10 0.00 1.01 0.00 0.00 58.87 58.82 2dit n SER 5 Cb 0.00 -1.20 -0.10 0.00 -1.01 0.00 0.00 64.21 61.90 2dit n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dit s SER 6 N -3.51 0.87 0.00 6.43 1.04 -1.26 -5.14 113.70 112.13 2dit s SER 6 Ca 0.25 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.83 2dit s SER 6 Cb -0.15 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.08 2dit s SER 6 CO 0.76 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 175.18 2dit n GLY 7 N 0.50 3.94 0.00 7.32 0.00 -1.26 -5.14 105.19 110.54 2dit n GLY 7 Ca -0.16 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2dit n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dit n GLY 8 N -1.62 0.72 3.77 -0.02 0.00 -1.26 -5.13 105.19 101.66 2dit n GLY 8 Ca 0.00 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 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 3.80 0.14 1.61 0.04 -1.26 -5.05 135.00 134.28 2dit s PRO 9 Ca 0.00 1.79 -0.10 0.00 0.04 0.00 0.00 61.00 62.73 2dit s PRO 9 Cb 0.00 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.09 2dit s PRO 9 CO 0.00 -0.52 0.29 0.45 0.04 0.00 0.00 177.00 177.26 2dit s SER 10 N -1.31 0.01 -0.33 6.66 0.15 -1.26 -5.11 113.70 112.51 2dit s SER 10 Ca 0.62 -0.72 -0.44 0.00 0.70 0.00 0.00 55.95 56.11 2dit s SER 10 Cb -0.29 0.43 -0.19 0.00 -1.71 0.00 0.00 66.02 64.25 2dit s SER 10 CO 0.36 -0.86 1.50 0.54 1.20 0.00 0.00 173.24 175.97 2dit n ARG 11 N -0.18 0.23 -1.62 5.44 1.74 -1.26 -4.69 116.66 116.32 2dit n ARG 11 Ca -0.11 0.09 -0.56 0.00 -0.77 0.00 0.00 57.85 56.50 2dit n ARG 11 Cb 0.63 -1.62 -0.08 0.00 -1.02 0.00 0.00 32.46 30.37 2dit n ARG 11 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2dit n MET 12 N 3.60 1.06 -3.34 5.56 2.81 -1.26 -4.88 117.12 120.67 2dit n MET 12 Ca 0.27 0.37 -0.42 0.00 -1.81 0.00 0.00 57.70 56.11 2dit n MET 12 Cb 0.01 -2.14 -0.02 0.00 -0.71 0.00 0.00 33.22 30.37 2dit n MET 12 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2dit n ARG 13 N 6.18 3.50 -3.61 0.03 5.12 -1.26 -4.97 116.66 121.66 2dit n ARG 13 Ca 0.32 -4.50 -0.05 0.00 -1.93 0.00 0.00 57.85 51.69 2dit n ARG 13 Cb 0.14 -2.50 -0.04 0.00 -1.16 0.00 0.00 32.46 28.90 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 -1.71 -0.17 -0.41 -1.55 -3.43 -1.26 -5.13 115.29 101.63 2dit s HIS 14 Ca 0.31 0.25 -0.08 0.00 -0.80 0.00 0.00 55.06 54.73 2dit s HIS 14 Cb -0.05 0.49 0.08 0.00 -1.43 0.00 0.00 32.58 31.67 2dit s HIS 14 CO -0.05 -0.18 0.24 -1.83 -2.00 0.00 0.00 174.74 170.92 2dit s GLU 15 N -1.45 2.52 -0.55 -0.38 -1.05 -1.26 -4.96 118.70 111.57 2dit s GLU 15 Ca 0.06 -1.50 0.04 0.00 -0.15 0.00 0.00 54.97 53.42 2dit s GLU 15 Cb -0.01 -3.73 0.39 0.00 -0.44 0.00 0.00 34.13 30.34 2dit s GLU 15 CO -0.04 -0.96 1.21 2.89 0.95 0.00 0.00 175.26 179.31 2dit n ARG 16 N 4.86 3.40 -4.85 -4.83 -4.01 -1.26 -4.90 116.66 105.07 2dit n ARG 16 Ca -0.09 -4.49 -0.25 0.00 -1.04 0.00 0.00 57.85 51.97 2dit n ARG 16 Cb 0.43 -2.26 -0.15 0.00 -3.04 0.00 0.00 32.46 27.43 2dit n ARG 16 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 2dit s VAL 17 N -5.18 1.40 0.01 8.89 1.01 -1.26 -0.15 120.40 125.12 2dit s VAL 17 Ca 0.48 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.78 2dit s VAL 17 Cb 0.37 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 2dit s VAL 17 CO -0.20 0.40 -0.22 0.68 0.00 0.00 0.00 175.10 175.75 2dit s VAL 18 N -0.38 2.42 -0.01 2.92 -7.23 -0.95 -0.24 120.40 116.93 2dit s VAL 18 Ca 0.06 -1.16 0.00 0.00 -1.81 0.00 0.00 61.98 59.07 2dit s VAL 18 Cb -0.07 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 2dit s VAL 18 CO -0.00 0.45 0.04 -0.63 -0.31 0.00 0.00 175.10 174.65 2dit s ILE 19 N -0.77 4.48 0.02 -0.62 -1.09 0.01 -2.34 121.20 120.88 2dit s ILE 19 Ca 0.12 -0.47 0.05 0.00 -2.23 0.00 0.00 60.65 58.11 2dit s ILE 19 Cb -0.10 -3.02 -0.02 0.00 -1.58 0.00 0.00 42.46 37.74 2dit s ILE 19 CO 0.02 0.38 -0.14 -0.63 -1.23 0.00 0.00 174.94 173.33 2dit s ILE 20 N -1.13 1.13 0.17 2.92 -1.09 -1.16 -2.44 121.20 119.60 2dit s ILE 20 Ca 0.21 -0.84 0.06 0.00 -2.23 0.00 0.00 60.65 57.85 2dit s ILE 20 Cb -0.12 -0.99 -0.04 0.00 -1.58 0.00 0.00 42.46 39.73 2dit s ILE 20 CO 0.12 0.14 -0.13 -0.54 -1.23 0.00 0.00 174.94 173.30 2dit s LYS 21 N -0.80 1.18 -1.28 2.79 3.01 -1.14 -3.14 119.74 120.36 2dit s LYS 21 Ca 0.03 -1.48 -0.01 0.00 -1.01 0.00 0.00 55.97 53.50 2dit s LYS 21 Cb -0.07 -0.91 0.00 0.00 -1.01 0.00 0.00 37.83 35.85 2dit s LYS 21 CO 0.01 0.14 0.84 -1.71 0.51 0.00 0.00 175.35 175.14 2dit n ASN 22 N -0.16 -1.88 0.00 2.83 5.15 -1.02 -3.14 115.26 117.04 2dit n ASN 22 Ca -0.10 -0.73 0.00 0.00 -0.60 0.00 0.00 54.58 53.15 2dit n ASN 22 Cb 0.60 -4.48 0.00 0.00 -0.53 0.00 0.00 39.78 35.37 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 -4.27 2.69 -4.08 1.20 0.00 -1.25 -4.28 117.12 107.12 2dit n MET 23 Ca -0.27 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.33 2dit n MET 23 Cb 0.66 -0.97 -0.07 0.00 0.00 0.00 0.00 33.22 32.84 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 -1.94 0.71 -0.08 3.17 -0.12 -1.26 -4.48 117.98 113.97 2dit s PHE 24 Ca 0.00 -1.01 -0.08 0.00 -0.05 0.00 0.00 56.93 55.79 2dit s PHE 24 Cb 0.00 -0.13 0.02 0.00 -0.63 0.00 0.00 43.02 42.29 2dit s PHE 24 CO 0.00 -0.85 0.23 -1.58 -0.05 0.00 0.00 175.22 172.97 2dit s HIS 25 N -4.06 -0.24 -2.00 3.49 2.46 -1.26 -2.08 115.29 111.60 2dit s HIS 25 Ca 0.29 0.57 0.11 0.00 0.47 0.00 0.00 55.06 56.50 2dit s HIS 25 Cb 0.02 0.08 0.63 0.00 -0.13 0.00 0.00 32.58 33.18 2dit s HIS 25 CO 0.10 -0.14 1.06 -0.35 -2.47 0.00 0.00 174.74 172.95 2dit n PRO 26 N 2.82 0.49 0.01 2.88 -0.04 -1.26 -1.98 135.00 137.92 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 0.58 -1.34 -0.01 0.00 -0.04 0.00 0.00 33.50 32.70 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 -0.84 0.14 -0.03 0.54 1.56 -1.26 -4.07 117.12 113.17 2dit n MET 27 Ca 0.08 -0.02 -0.18 0.00 -0.27 0.00 0.00 57.70 57.32 2dit n MET 27 Cb 0.04 -1.53 -0.14 0.00 2.15 0.00 0.00 33.22 33.74 2dit n MET 27 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 2dit n ASP 28 N -1.70 1.73 0.24 6.12 8.00 -0.84 -4.11 116.55 125.99 2dit n ASP 28 Ca 0.03 0.19 0.09 0.00 0.71 0.00 0.00 54.79 55.81 2dit n ASP 28 Cb 0.38 -0.53 0.61 0.00 -0.02 0.00 0.00 41.12 41.56 2dit n ASP 28 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2dit h PHE 29 N 0.04 0.00 0.00 1.24 0.04 -1.68 -1.67 116.94 114.91 2dit h PHE 29 Ca -0.43 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.31 2dit h PHE 29 Cb 2.02 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 40.17 2dit h PHE 29 CO 0.05 0.18 -0.16 0.93 -0.60 0.00 0.00 178.31 178.71 2dit h GLU 30 N 0.00 0.00 0.02 1.51 5.08 -1.71 -3.02 114.58 116.46 2dit h GLU 30 Ca -0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.02 2dit h GLU 30 Cb 0.41 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 2dit h GLU 30 CO 0.02 0.16 -2.00 -3.47 -1.00 0.00 0.00 179.01 172.72 2dit n ASP 31 N -3.41 0.98 -3.63 1.42 2.03 -0.71 -4.99 116.55 108.24 2dit n ASP 31 Ca -0.00 0.22 -0.10 0.00 0.52 0.00 0.00 54.79 55.43 2dit n ASP 31 Cb 0.35 0.03 -0.07 0.00 -0.72 0.00 0.00 41.12 40.71 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 -6.15 -0.46 0.18 1.67 1.01 -0.75 -5.05 116.67 107.13 2dit s ASP 32 Ca -0.12 0.86 -0.06 0.00 0.71 0.00 0.00 52.55 53.94 2dit s ASP 32 Cb 0.07 0.86 0.09 0.00 1.01 0.00 0.00 42.92 44.96 2dit s ASP 32 CO 0.80 -0.17 1.53 1.55 0.21 0.00 0.00 175.17 179.09 2dit h PRO 33 N 4.12 0.73 -0.96 8.23 0.13 -1.84 -3.24 132.00 139.17 2dit h PRO 33 Ca -0.28 -0.38 0.25 0.00 -0.87 0.00 0.00 66.00 64.72 2dit h PRO 33 Cb 1.17 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 32.14 2dit h PRO 33 CO 0.12 1.00 -0.02 1.28 -0.23 0.00 0.00 178.00 180.16 2dit n LEU 34 N -4.03 -0.14 -0.23 1.56 7.99 -1.26 -0.26 117.00 120.62 2dit n LEU 34 Ca -0.02 1.63 -0.09 0.00 -0.01 0.00 0.00 56.01 57.51 2dit n LEU 34 Cb 0.54 -0.58 -0.05 0.00 -0.11 0.00 0.00 43.42 43.22 2dit n LEU 34 CO 0.47 -1.64 0.55 0.58 -1.51 0.00 0.00 177.39 175.84 2dit h VAL 35 N 0.00 0.05 -0.27 4.08 2.07 -1.88 0.37 116.25 120.68 2dit h VAL 35 Ca 0.56 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 68.02 2dit h VAL 35 Cb 1.13 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2dit h VAL 35 CO -0.91 0.00 -0.11 0.25 0.02 0.00 0.00 177.57 176.82 2dit h LEU 36 N -0.22 0.44 0.70 2.57 5.85 -0.84 -1.90 115.31 121.91 2dit h LEU 36 Ca 0.17 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 2dit h LEU 36 Cb 0.55 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.47 2dit h LEU 36 CO -0.72 0.59 -0.34 0.78 -0.34 0.00 0.00 178.44 178.41 2dit h ASN 37 N 0.43 -0.79 -0.81 1.25 2.35 0.53 0.76 115.58 119.30 2dit h ASN 37 Ca 0.08 0.03 0.10 0.00 -0.55 0.00 0.00 56.30 55.96 2dit h ASN 37 Cb 0.46 0.21 -0.07 0.00 0.05 0.00 0.00 38.32 38.96 2dit h ASN 37 CO 0.03 -0.54 0.45 1.05 -1.65 0.00 0.00 177.43 176.77 2dit h GLU 38 N -1.00 0.73 0.58 0.81 4.11 -0.44 -1.12 114.58 118.25 2dit h GLU 38 Ca -0.10 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 59.26 2dit h GLU 38 Cb 0.72 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2dit h GLU 38 CO 0.16 0.48 -0.29 0.82 0.07 0.00 0.00 179.01 180.25 2dit h ILE 39 N 0.75 0.41 0.31 -1.06 2.04 -1.29 0.13 117.51 118.81 2dit h ILE 39 Ca 0.40 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.25 2dit h ILE 39 Cb 0.39 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 2dit h ILE 39 CO -0.26 0.00 -0.48 -0.09 0.00 0.00 0.00 178.15 177.32 2dit h ARG 40 N -0.79 -0.80 -0.81 2.37 2.43 -0.45 -1.32 114.38 115.00 2dit h ARG 40 Ca -0.08 0.05 0.16 0.00 -0.81 0.00 0.00 59.98 59.31 2dit h ARG 40 Cb 0.61 0.18 -0.06 0.00 -0.42 0.00 0.00 29.97 30.29 2dit h ARG 40 CO 0.12 -0.54 0.54 1.05 -1.51 0.00 0.00 179.97 179.64 2dit h GLU 41 N -0.83 0.46 -0.64 0.20 4.11 -1.23 -0.48 114.58 116.17 2dit h GLU 41 Ca -0.04 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 2dit h GLU 41 Cb 0.77 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 2dit h GLU 41 CO -0.15 0.30 0.37 -0.44 0.07 0.00 0.00 179.01 179.17 2dit h ASP 42 N 0.47 0.77 0.13 3.06 3.32 0.22 0.01 116.42 124.40 2dit h ASP 42 Ca 0.41 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.33 2dit h ASP 42 Cb 0.89 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 2dit h ASP 42 CO -0.15 0.62 -0.21 -0.07 -1.72 0.00 0.00 179.24 177.71 2dit h LEU 43 N 0.86 0.14 -0.15 1.55 3.38 -0.03 0.23 115.31 121.30 2dit h LEU 43 Ca 0.23 -0.03 -0.22 0.00 0.09 0.00 0.00 57.88 57.94 2dit h LEU 43 Cb -0.01 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2dit h LEU 43 CO -0.04 0.36 -0.98 0.03 0.09 0.00 0.00 178.44 177.90 2dit h ARG 44 N 0.14 0.30 0.00 1.13 3.08 -0.98 -1.98 114.38 116.07 2dit h ARG 44 Ca 0.03 -0.36 -0.07 0.00 0.07 0.00 0.00 59.98 59.65 2dit h ARG 44 Cb 0.45 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 2dit h ARG 44 CO 0.03 1.07 -0.54 -0.39 -1.07 0.00 0.00 179.97 179.08 2dit h VAL 45 N 0.15 0.44 0.05 2.04 -1.51 -0.63 -2.73 116.25 114.06 2dit h VAL 45 Ca -0.08 -1.67 -0.11 0.00 -1.23 0.00 0.00 66.70 63.62 2dit h VAL 45 Cb 1.64 2.13 0.00 0.00 -2.13 0.00 0.00 31.29 32.93 2dit h VAL 45 CO 0.16 0.25 -0.51 1.05 -1.23 0.00 0.00 177.57 177.29 2dit h GLU 46 N 0.00 0.11 0.00 5.19 4.11 -0.56 -3.14 114.58 120.29 2dit h GLU 46 Ca -0.02 -0.19 0.00 0.00 0.07 0.00 0.00 59.36 59.21 2dit h GLU 46 Cb 1.25 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2dit h GLU 46 CO 0.03 1.09 0.00 0.00 0.07 0.00 0.00 179.01 180.21 2dit h SER 48 N 0.00 0.22 -1.18 0.00 0.87 -1.57 -3.30 113.55 108.59 2dit h SER 48 Ca 0.00 -0.23 0.45 0.00 -1.23 0.00 0.00 61.79 60.78 2dit h SER 48 Cb 0.56 -0.07 -0.16 0.00 -0.44 0.00 0.00 62.40 62.29 2dit h SER 48 CO 0.00 1.15 0.70 0.29 -0.53 0.00 0.00 176.83 178.44 2dit n LYS 49 N -3.48 -0.05 0.05 2.24 4.76 -1.12 0.22 118.16 120.78 2dit n LYS 49 Ca -0.04 1.32 -0.10 0.00 -2.87 0.00 0.00 58.31 56.62 2dit n LYS 49 Cb 0.95 -2.48 -0.13 0.00 -1.84 0.00 0.00 35.03 31.54 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 0.15 0.00 2.13 -1.00 -1.77 -3.49 116.94 112.96 2dit h PHE 50 Ca 0.86 -0.11 0.00 0.00 2.81 0.00 0.00 57.97 61.54 2dit h PHE 50 Cb 2.53 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 42.08 2dit h PHE 50 CO -0.01 1.11 0.00 0.41 -1.61 0.00 0.00 178.31 178.21 2dit n GLY 51 N 1.48 -0.64 3.04 -1.45 0.00 0.58 -5.06 105.19 103.13 2dit n GLY 51 Ca -0.08 0.54 -0.13 0.00 0.00 0.00 0.00 46.02 46.35 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 0.67 -3.92 1.61 6.02 -1.24 -4.70 117.38 115.82 2dit n GLN 52 Ca 0.00 -2.44 -0.30 0.00 -0.01 0.00 0.00 57.00 54.24 2dit n GLN 52 Cb 0.00 2.41 -0.15 0.00 1.02 0.00 0.00 30.24 33.53 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 -2.71 1.94 0.39 5.09 -1.09 -1.26 -4.44 121.20 119.12 2dit s ILE 53 Ca 0.25 -2.33 0.06 0.00 -2.23 0.00 0.00 60.65 56.40 2dit s ILE 53 Cb -0.01 -2.42 0.27 0.00 -1.58 0.00 0.00 42.46 38.72 2dit s ILE 53 CO 0.18 -0.68 2.03 0.03 -1.23 0.00 0.00 174.94 175.27 2dit h ARG 54 N 7.44 0.62 -1.52 2.79 2.47 -1.78 -3.45 114.38 120.95 2dit h ARG 54 Ca -0.06 -0.04 0.09 0.00 -1.26 0.00 0.00 59.98 58.71 2dit h ARG 54 Cb 0.99 -0.14 -0.24 0.00 -1.65 0.00 0.00 29.97 28.93 2dit h ARG 54 CO 0.53 0.41 0.57 0.21 0.56 0.00 0.00 179.97 182.25 2dit s LYS 55 N -5.56 0.53 -0.02 0.04 2.36 -1.16 -5.01 119.74 110.92 2dit s LYS 55 Ca -0.09 0.20 0.01 0.00 -2.55 0.00 0.00 55.97 53.55 2dit s LYS 55 Cb 0.18 0.25 0.01 0.00 -1.05 0.00 0.00 37.83 37.22 2dit s LYS 55 CO 0.74 -0.15 -0.04 -1.17 1.55 0.00 0.00 175.35 176.28 2dit s LEU 56 N -0.86 1.69 -0.21 5.43 2.96 -1.26 0.10 118.68 126.52 2dit s LEU 56 Ca -0.00 -0.09 -0.03 0.00 -0.22 0.00 0.00 54.13 53.79 2dit s LEU 56 Cb -0.01 -0.30 0.07 0.00 0.50 0.00 0.00 46.19 46.44 2dit s LEU 56 CO -0.01 0.00 0.06 -0.76 -1.32 0.00 0.00 176.35 174.33 2dit s LEU 57 N 0.34 1.10 -0.42 -0.68 1.43 -0.23 -5.01 118.68 115.21 2dit s LEU 57 Ca -0.04 -0.90 -0.19 0.00 -1.03 0.00 0.00 54.13 51.97 2dit s LEU 57 Cb -0.07 -0.54 0.02 0.00 0.03 0.00 0.00 46.19 45.62 2dit s LEU 57 CO -0.00 -0.33 0.57 -0.22 0.23 0.00 0.00 176.35 176.59 2dit s LEU 58 N 1.90 4.59 -1.37 1.79 0.20 -1.26 -0.24 118.68 124.28 2dit s LEU 58 Ca 0.01 -0.40 -0.16 0.00 0.69 0.00 0.00 54.13 54.27 2dit s LEU 58 Cb -0.17 -2.62 0.05 0.00 -0.43 0.00 0.00 46.19 43.02 2dit s LEU 58 CO -0.12 -0.69 2.00 0.49 -0.29 0.00 0.00 176.35 177.74 2dit n PHE 59 N 6.02 4.03 0.16 5.38 3.72 -0.42 -4.73 117.46 131.61 2dit n PHE 59 Ca -0.04 -2.88 0.09 0.00 -0.05 0.00 0.00 57.45 54.58 2dit n PHE 59 Cb 0.48 -2.58 0.48 0.00 -0.94 0.00 0.00 39.48 36.91 2dit n PHE 59 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2dit n ASP 60 N 7.29 0.45 0.22 4.37 8.00 -1.26 -2.07 116.55 133.55 2dit n ASP 60 Ca 0.50 0.66 -0.11 0.00 0.71 0.00 0.00 54.79 56.56 2dit n ASP 60 Cb 0.42 -0.67 -0.05 0.00 -0.02 0.00 0.00 41.12 40.80 2dit n ASP 60 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2dit h ARG 61 N 0.00 -0.60 -6.12 -1.24 -0.00 -1.93 -3.37 114.38 101.12 2dit h ARG 61 Ca 0.00 0.04 -0.70 0.00 -0.50 0.00 0.00 59.98 58.83 2dit h ARG 61 Cb 0.29 0.14 0.00 0.00 0.00 0.00 0.00 29.97 30.40 2dit h ARG 61 CO 0.00 -0.36 1.11 1.58 0.00 0.00 0.00 179.97 182.30 2dit n HIS 62 N -5.20 1.96 0.97 3.04 -0.00 -0.88 -4.79 115.22 110.33 2dit n HIS 62 Ca -0.08 0.36 0.06 0.00 0.46 0.00 0.00 57.72 58.51 2dit n HIS 62 Cb 0.27 -2.52 0.35 0.00 -0.12 0.00 0.00 29.99 27.97 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 6.54 0.49 -0.71 1.57 -0.04 -1.26 -2.34 135.00 139.24 2dit n PRO 63 Ca 0.31 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 2dit n PRO 63 Cb 0.19 -1.38 0.25 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.88 3.62 -3.31 3.54 9.92 -1.26 -4.76 116.55 123.42 2dit n ASP 64 Ca 0.09 -3.33 -0.28 0.00 -0.53 0.00 0.00 54.79 50.74 2dit n ASP 64 Cb 0.04 -0.63 0.03 0.00 -0.64 0.00 0.00 41.12 39.92 2dit n ASP 64 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dit n GLY 65 N -0.67 -0.39 3.32 0.44 0.00 -0.88 -2.42 105.19 104.58 2dit n GLY 65 Ca 0.31 1.16 -0.33 0.00 0.00 0.00 0.00 46.02 47.16 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 -1.93 2.79 0.03 1.61 1.01 -1.25 -3.14 120.40 119.51 2dit s VAL 66 Ca 0.32 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.58 2dit s VAL 66 Cb -0.05 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 2dit s VAL 66 CO 0.84 0.53 -0.10 0.00 0.00 0.00 0.00 175.10 176.37 2dit s ALA 67 N 0.46 0.79 -0.30 5.51 0.00 -1.19 -1.31 121.76 125.73 2dit s ALA 67 Ca -0.11 -0.64 -0.04 0.00 0.00 0.00 0.00 51.96 51.17 2dit s ALA 67 Cb -0.16 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 22.90 2dit s ALA 67 CO 0.05 0.12 0.03 0.45 0.00 0.00 0.00 175.76 176.41 2dit s SER 68 N -0.97 4.94 -0.39 0.00 0.15 0.67 -2.98 113.70 115.13 2dit s SER 68 Ca -0.02 -1.07 -0.13 0.00 0.70 0.00 0.00 55.95 55.43 2dit s SER 68 Cb -0.07 -1.77 0.02 0.00 -1.71 0.00 0.00 66.02 62.49 2dit s SER 68 CO 0.01 -0.24 0.26 -0.69 1.20 0.00 0.00 173.24 173.77 2dit s VAL 69 N 1.35 5.00 0.00 4.45 1.01 -0.99 -1.06 120.40 130.16 2dit s VAL 69 Ca -0.02 -0.68 -0.24 0.00 0.00 0.00 0.00 61.98 61.03 2dit s VAL 69 Cb -0.19 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 2dit s VAL 69 CO -0.00 -0.24 0.74 -0.44 0.00 0.00 0.00 175.10 175.16 2dit s SER 70 N 1.64 7.13 0.47 3.32 0.01 0.11 -2.23 113.70 124.16 2dit s SER 70 Ca 0.04 1.36 0.05 0.00 1.31 0.00 0.00 55.95 58.71 2dit s SER 70 Cb -0.19 -2.45 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 2dit s SER 70 CO 0.09 -0.04 0.17 -0.36 0.41 0.00 0.00 173.24 173.51 2dit s PHE 71 N 0.27 2.14 -0.21 2.43 0.40 0.79 -2.41 117.98 121.39 2dit s PHE 71 Ca 0.38 -0.77 -0.01 0.00 -0.60 0.00 0.00 56.93 55.94 2dit s PHE 71 Cb -0.19 -1.83 -0.13 0.00 0.51 0.00 0.00 43.02 41.38 2dit s PHE 71 CO 0.21 0.06 -0.21 -2.13 0.70 0.00 0.00 175.22 173.86 2dit n ARG 72 N -1.35 0.52 -4.38 0.44 3.00 -1.26 -4.78 116.66 108.84 2dit n ARG 72 Ca -0.07 0.14 -0.34 0.00 -0.00 0.00 0.00 57.85 57.58 2dit n ARG 72 Cb 0.65 -1.40 -0.11 0.00 0.00 0.00 0.00 32.46 31.61 2dit n ARG 72 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 2dit s ASP 73 N -6.24 5.05 0.30 6.15 1.47 -1.26 -4.99 116.67 117.14 2dit s ASP 73 Ca -0.29 0.03 0.25 0.00 1.18 0.00 0.00 52.55 53.71 2dit s ASP 73 Cb 0.08 -1.58 1.04 0.00 -0.34 0.00 0.00 42.92 42.12 2dit s ASP 73 CO 0.47 0.29 1.75 1.55 0.68 0.00 0.00 175.17 179.90 2dit h PRO 74 N 5.82 0.00 0.11 2.11 0.13 -1.93 -2.96 132.00 135.29 2dit h PRO 74 Ca -0.43 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.41 2dit h PRO 74 Cb 1.19 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.35 2dit h PRO 74 CO 0.58 0.00 -1.23 0.93 -0.23 0.00 0.00 178.00 178.05 2dit h GLU 75 N 0.00 0.63 0.22 0.86 5.08 -1.99 -3.11 114.58 116.27 2dit h GLU 75 Ca 0.00 -0.83 -0.01 0.00 -1.00 0.00 0.00 59.36 57.52 2dit h GLU 75 Cb 0.37 0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2dit h GLU 75 CO 0.00 1.38 -0.10 1.49 -1.00 0.00 0.00 179.01 180.78 2dit h GLU 76 N 0.28 -0.28 -0.03 2.33 4.81 -1.94 -3.17 114.58 116.58 2dit h GLU 76 Ca -0.19 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.08 2dit h GLU 76 Cb 1.90 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 31.30 2dit h GLU 76 CO 0.24 0.05 -0.36 0.00 -0.73 0.00 0.00 179.01 178.20 2dit h ALA 77 N 0.04 -0.78 -1.20 2.92 0.00 -1.68 0.65 119.26 119.21 2dit h ALA 77 Ca -0.03 -0.05 0.35 0.00 0.00 0.00 0.00 54.91 55.18 2dit h ALA 77 Cb 0.46 0.83 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 2dit h ALA 77 CO 0.05 -0.90 1.16 0.22 0.00 0.00 0.00 179.25 179.78 2dit h ASP 78 N -0.43 0.00 0.31 0.00 3.58 -1.63 2.06 116.42 120.30 2dit h ASP 78 Ca 0.01 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.22 2dit h ASP 78 Cb 0.48 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.48 2dit h ASP 78 CO -0.26 0.00 -1.91 0.00 -2.88 0.00 0.00 179.24 174.19 2dit n TYR 79 N -3.52 0.49 0.53 0.28 9.36 0.45 -4.02 117.16 120.73 2dit n TYR 79 Ca 0.27 0.17 0.12 0.00 3.32 0.00 0.00 57.90 61.78 2dit n TYR 79 Cb 1.53 -0.99 0.45 0.00 -0.63 0.00 0.00 39.34 39.70 2dit n TYR 79 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2dit n ILE 81 N -2.14 1.07 0.05 0.00 -6.64 -0.27 -2.48 119.36 108.95 2dit n ILE 81 Ca 0.04 -0.67 0.05 0.00 -1.77 0.00 0.00 62.75 60.41 2dit n ILE 81 Cb 0.31 -0.65 -0.06 0.00 -1.44 0.00 0.00 39.64 37.79 2dit n ILE 81 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2dit n GLN 82 N -2.83 0.62 0.00 6.28 10.64 -1.11 -2.94 117.38 128.04 2dit n GLN 82 Ca -0.08 0.13 -0.00 0.00 -1.83 0.00 0.00 57.00 55.21 2dit n GLN 82 Cb 0.79 -1.77 -0.11 0.00 -0.86 0.00 0.00 30.24 28.29 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 -2.73 1.04 1.09 -0.39 -1.04 -0.80 -4.06 114.28 107.38 2dit n THR 83 Ca -0.06 -0.69 0.12 0.00 -2.04 0.00 0.00 64.05 61.37 2dit n THR 83 Cb 0.71 -0.56 0.16 0.00 -1.82 0.00 0.00 70.33 68.81 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 -2.76 1.20 0.00 -4.42 4.77 -1.03 -4.05 117.00 110.70 2dit n LEU 84 Ca -0.13 -0.39 0.04 0.00 -0.03 0.00 0.00 56.01 55.49 2dit n LEU 84 Cb 0.86 -0.09 0.17 0.00 -2.33 0.00 0.00 43.42 42.03 2dit n LEU 84 CO 0.43 0.24 0.58 -0.90 -1.33 0.00 0.00 177.39 176.42 2dit n ASP 85 N -0.79 0.00 0.00 -1.43 5.75 -1.15 -1.74 116.55 117.19 2dit n ASP 85 Ca 0.09 0.34 0.00 0.00 -0.01 0.00 0.00 54.79 55.20 2dit n ASP 85 Cb 0.38 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 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 -0.70 0.17 3.49 6.12 0.00 -1.14 -4.13 105.19 109.00 2dit n GLY 86 Ca 0.03 0.00 -0.32 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 -0.17 -0.85 -3.90 1.61 5.12 -0.71 -4.54 116.66 113.23 2dit n ARG 87 Ca 0.00 -0.20 -0.27 0.00 -1.93 0.00 0.00 57.85 55.44 2dit n ARG 87 Cb 0.20 -2.06 -0.17 0.00 -1.16 0.00 0.00 32.46 29.27 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 -2.46 1.56 -0.06 -1.55 0.52 -1.26 0.11 118.94 115.80 2dit s TRP 88 Ca 0.62 -0.87 0.05 0.00 0.02 0.00 0.00 56.10 55.92 2dit s TRP 88 Cb -0.21 -1.26 -0.01 0.00 -1.15 0.00 0.00 33.47 30.83 2dit s TRP 88 CO 0.64 -0.55 -0.22 -0.06 0.02 0.00 0.00 176.95 176.77 2dit s PHE 89 N 1.68 2.51 0.00 -1.98 0.40 0.30 -4.60 117.98 116.30 2dit s PHE 89 Ca 0.03 -0.65 0.00 0.00 -0.60 0.00 0.00 56.93 55.72 2dit s PHE 89 Cb -0.14 -1.63 0.00 0.00 0.51 0.00 0.00 43.02 41.76 2dit s PHE 89 CO -0.08 -0.17 0.00 0.41 0.70 0.00 0.00 175.22 176.08 2dit n GLY 90 N 2.93 0.18 0.00 4.36 0.00 -1.26 -1.33 105.19 110.07 2dit n GLY 90 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.16 1.54 3.70 -0.02 0.00 -1.26 -5.09 105.19 102.89 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 -0.37 2.52 0.72 1.61 1.70 -0.44 -5.05 118.95 119.63 2dit s ARG 92 Ca 0.00 -1.09 -0.11 0.00 -0.47 0.00 0.00 55.73 54.06 2dit s ARG 92 Cb 0.00 -2.40 0.02 0.00 -0.57 0.00 0.00 34.95 32.00 2dit s ARG 92 CO 0.00 0.45 1.07 -1.14 -1.08 0.00 0.00 175.30 174.60 2dit s GLN 93 N -3.10 2.76 0.03 3.89 0.74 -1.26 0.11 119.66 122.84 2dit s GLN 93 Ca 0.29 0.93 0.01 0.00 0.05 0.00 0.00 55.36 56.63 2dit s GLN 93 Cb -0.09 -1.97 -0.02 0.00 1.10 0.00 0.00 33.01 32.02 2dit s GLN 93 CO 0.20 -1.22 -0.05 0.96 -0.55 0.00 0.00 175.29 174.63 2dit s ILE 94 N -3.05 0.27 0.15 -2.34 -4.36 0.30 -4.69 121.20 107.48 2dit s ILE 94 Ca 0.59 -1.11 0.04 0.00 -0.26 0.00 0.00 60.65 59.91 2dit s ILE 94 Cb -0.14 -0.56 -0.04 0.00 1.25 0.00 0.00 42.46 42.96 2dit s ILE 94 CO 0.55 -0.54 0.15 0.28 0.24 0.00 0.00 174.94 175.62 2dit s THR 95 N -1.81 4.63 0.06 8.37 -1.32 -1.19 -2.90 115.64 121.48 2dit s THR 95 Ca -0.10 -0.97 0.03 0.00 -1.21 0.00 0.00 61.69 59.44 2dit s THR 95 Cb -0.07 -3.34 -0.03 0.00 -1.51 0.00 0.00 72.50 67.55 2dit s THR 95 CO -0.02 -0.06 -0.10 0.00 -2.21 0.00 0.00 174.62 172.23 2dit s ALA 96 N -1.69 0.83 0.06 11.08 0.00 -1.26 -2.89 121.76 127.90 2dit s ALA 96 Ca 0.31 -0.92 -0.27 0.00 0.00 0.00 0.00 51.96 51.09 2dit s ALA 96 Cb -0.11 0.01 0.09 0.00 0.00 0.00 0.00 23.12 23.11 2dit s ALA 96 CO 0.24 0.02 0.83 1.14 0.00 0.00 0.00 175.76 177.98 2dit s GLN 97 N -1.90 1.01 0.03 0.00 0.00 -1.02 -4.68 119.66 113.11 2dit s GLN 97 Ca -0.05 -0.41 -0.28 0.00 -0.00 0.00 0.00 55.36 54.62 2dit s GLN 97 Cb -0.08 0.44 -0.04 0.00 0.00 0.00 0.00 33.01 33.32 2dit s GLN 97 CO 0.01 -0.45 0.89 0.00 0.00 0.00 0.00 175.29 175.74 2dit s ALA 98 N -3.31 3.26 0.39 2.60 0.00 -1.26 -0.81 121.76 122.62 2dit s ALA 98 Ca 0.05 0.44 -0.07 0.00 0.00 0.00 0.00 51.96 52.38 2dit s ALA 98 Cb -0.01 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 2dit s ALA 98 CO -0.08 -0.09 0.71 -0.46 0.00 0.00 0.00 175.76 175.85 2dit s TRP 99 N 0.44 3.49 -0.01 0.00 -0.00 0.66 -4.87 118.94 118.66 2dit s TRP 99 Ca 0.45 0.86 -0.04 0.00 -0.00 0.00 0.00 56.10 57.37 2dit s TRP 99 Cb -0.21 -2.30 -0.01 0.00 -0.00 0.00 0.00 33.47 30.94 2dit s TRP 99 CO 0.26 -0.07 -0.08 -3.47 -0.00 0.00 0.00 176.95 173.59 2dit n ASP 100 N -1.45 0.88 0.00 5.86 2.03 -1.26 -4.71 116.55 117.90 2dit n ASP 100 Ca 0.01 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.45 2dit n ASP 100 Cb 0.54 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 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 0.00 0.01 0.27 0.00 -1.26 -4.95 105.19 101.96 2dit n GLY 101 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 0.14 -1.18 2.61 5.66 -1.26 -5.06 114.28 115.19 2dit n THR 102 Ca 0.00 -0.06 -0.35 0.00 -3.05 0.00 0.00 64.05 60.59 2dit n THR 102 Cb 0.00 -0.68 0.10 0.00 -1.55 0.00 0.00 70.33 68.20 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 -2.44 1.97 -1.63 1.09 5.66 -1.26 -4.93 114.28 112.74 2dit n THR 103 Ca -0.04 -0.30 -0.16 0.00 -3.05 0.00 0.00 64.05 60.50 2dit n THR 103 Cb 0.55 -1.00 0.12 0.00 -1.55 0.00 0.00 70.33 68.45 2dit n THR 103 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2dit n ASP 104 N -1.88 4.16 0.18 1.09 5.75 -1.26 -4.69 116.55 119.89 2dit n ASP 104 Ca 0.12 -3.79 -0.11 0.00 -0.01 0.00 0.00 54.79 51.00 2dit n ASP 104 Cb 0.50 -0.60 -0.06 0.00 -1.03 0.00 0.00 41.12 39.94 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 1.57 -0.83 0.00 2.11 0.05 -2.04 -3.36 116.97 114.47 2dit h TYR 105 Ca 0.34 0.01 -0.25 0.00 0.05 0.00 0.00 58.73 58.87 2dit h TYR 105 Cb 1.46 0.32 -0.05 0.00 1.01 0.00 0.00 36.73 39.48 2dit h TYR 105 CO 1.05 -0.40 -2.09 0.00 -1.05 0.00 0.00 178.16 175.67 2dit n GLN 106 N -4.18 1.12 -1.59 4.88 0.00 -1.26 -4.96 117.38 111.39 2dit n GLN 106 Ca -0.07 -0.04 -0.52 0.00 0.00 0.00 0.00 57.00 56.37 2dit n GLN 106 Cb 0.27 -1.43 -0.06 0.00 0.00 0.00 0.00 30.24 29.02 2dit n GLN 106 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2dit n SER 107 N -2.53 2.58 -4.49 2.61 7.64 -1.26 -4.90 113.62 113.27 2dit n SER 107 Ca -0.23 0.76 -0.43 0.00 1.01 0.00 0.00 58.87 59.98 2dit n SER 107 Cb 0.94 -1.26 -0.07 0.00 -1.01 0.00 0.00 64.21 62.81 2dit n SER 107 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dit s GLY 108 N 5.33 1.73 0.92 0.23 0.00 -1.26 -4.85 107.32 109.42 2dit s GLY 108 Ca 1.02 -1.40 -0.12 0.00 0.00 0.00 0.00 44.72 44.22 2dit s GLY 108 CO 0.55 1.52 1.09 2.56 0.00 0.00 0.00 173.10 178.82 2dit s PRO 109 N 2.78 1.08 -0.09 2.90 0.04 -1.26 -5.03 135.00 135.41 2dit s PRO 109 Ca 0.20 0.76 -0.04 0.00 0.04 0.00 0.00 61.00 61.95 2dit s PRO 109 Cb -0.16 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2dit s PRO 109 CO 0.16 -2.35 -0.12 0.45 0.04 0.00 0.00 177.00 175.19 2dit n SER 110 N -3.95 1.02 -0.03 6.66 2.88 -1.26 -4.75 113.62 114.20 2dit n SER 110 Ca 0.07 0.09 -0.16 0.00 -1.33 0.00 0.00 58.87 57.54 2dit n SER 110 Cb 0.56 -0.26 -0.09 0.00 -0.75 0.00 0.00 64.21 63.67 2dit n SER 110 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dit h SER 111 N -0.30 0.63 -0.01 -3.46 0.02 -2.06 -3.58 113.55 104.79 2dit h SER 111 Ca -0.24 -0.65 0.00 0.00 -0.84 0.00 0.00 61.79 60.06 2dit h SER 111 Cb 1.23 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2dit h SER 111 CO -0.13 1.18 0.00 0.61 -1.14 0.00 0.00 176.83 177.34